*HEADER    RNA                                     05-APR-06   2GM0              
*TITLE     LINEAR DIMER OF STEMLOOP SL1 FROM HIV-1                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA (35-MER);                                              
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: STEM-LOOP SL1                                         
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: RNA WAS PREPARED BY IN VITRO TRANSCRIPTION            
*SOURCE   4 WITH T7 RNA POLYMERASE                                               
*KEYWDS    LINEAR DIMER, A-RICH INTERNAL LOOP, G-RICH INTERNAL LOOP              
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    N.B.ULYANOV, A.MUJEEB, Z.DU, M.TONELLI, T.G.PARSLOW,                  
*AUTHOR   2 T.L.JAMES                                                            
*REVDAT   1   25-APR-06 2GM0    0                                                

# Content of this file:
#
#       (1)  Distance restraints
#       (2)  Residual dipolar coupling (RDC) restraints
#       (3)  Integrated intensities of NOE cross-peaks
#
#
# Format is a modified MARDIGRAS format: first four columns contain
# atom names and residue numbers; columns 5 and 6 contain lower and
# upper distance bounds; columns 7 and 8 contain lower and upper
# force constants
#
#
#       (1)  Distance restraints
#
# Distance restraints involving nonexchangeable protons were calculated with the
# MARDIGRAS program using RandMardi procedure from integrated intensities
# in the D2O NOESY datasets at 15, 50, 75, 150, and 300 ms. Refer to the
# publication for the details of calculations.
#
# Fixed distances and intra-sugar distances with low variation (such as H1'-H2')
# were excluded from the list of restraints.
#
# Restraints commented out with "#" were not used in the final rounds of
# refinement.
#
# All distances are in angstrom.
#
#
# Cleaned from x.mardi   Mon Dec 19 11:32:50 2005
#inp= RR/30_32_4mix.mardi * filter= filter *** Mon Dec 19 11:30:49 2005
ATOM- i ATOM- j   r_low   r_up     k_low     k_up
H8    1 1H2'  1   2.430   3.350    10.00    10.00
H8   36 1H2' 36   2.430   3.350    10.00    10.00
H8    2 1H2'  1   2.060   3.360    10.00    10.00
H8   37 1H2' 36   2.060   3.360    10.00    10.00
H8    2 H3'   1   2.790   3.690    10.00    10.00
H8   37 H3'  36   2.790   3.690    10.00    10.00
H8    2 1H2'  2   2.420   4.400    10.00    10.00
H8   37 1H2' 37   2.420   4.400    10.00    10.00
H1'   3 H2    2   2.870   3.370    10.00    10.00
H1'  38 H2   37   2.870   3.370    10.00    10.00
H6    3 1H2'  2   1.880   2.740    10.00    10.00
H6   38 1H2' 37   1.880   2.740    10.00    10.00
H8    5 1H2'  4   2.630   3.480    10.00    10.00
H8   40 1H2' 39   2.630   3.480    10.00    10.00
H8    5 H1'   5   3.140   4.140    10.00    10.00
H8   40 H1'  40   3.140   4.140    10.00    10.00
H6    6 1H2'  5   2.600   2.850    10.00    10.00
H6   41 1H2' 40   2.600   2.850    10.00    10.00
H5    7 1H2'  6   3.270   5.590    10.00    10.00
H5   42 1H2' 41   3.270   5.590    10.00    10.00
H6    7 1H2'  6   2.360   3.260    10.00    10.00
H6   42 1H2' 41   2.360   3.260    10.00    10.00
H6    8 1H2'  7   2.250   2.460    10.00    10.00
H6   43 1H2' 42   2.250   2.460    10.00    10.00
H8    9 1H2'  8   2.040   2.550    10.00    10.00
H8   44 1H2' 43   2.040   2.550    10.00    10.00
H6   10 1H2'  9   1.970   2.210    10.00    10.00
H6   45 1H2' 44   1.970   2.210    10.00    10.00
H6   10 H3'  10   2.290   2.810    10.00    10.00
H6   45 H3'  45   2.290   2.810    10.00    10.00
H6   11 1H2' 10   2.070   2.720    10.00    10.00
H6   46 1H2' 45   2.070   2.720    10.00    10.00
H4'  12 H1'  12   2.750   3.330    10.00    10.00
H4'  47 H1'  47   2.750   3.330    10.00    10.00
H8   12 1H2' 11   2.030   2.770    10.00    10.00
H8   47 1H2' 46   2.030   2.770    10.00    10.00
H8   12 1H2' 12   2.360   4.770    10.00    10.00
H8   47 1H2' 47   2.360   4.770    10.00    10.00
H8   12 H3'  12   2.540   4.030    10.00    10.00
H8   47 H3'  47   2.540   4.030    10.00    10.00
H4'  13 H1'  13   2.630   5.420    10.00    10.00
H4'  48 H1'  48   2.630   5.420    10.00    10.00
H2   13 H1'  13   3.520   6.200    10.00    10.00
H2   48 H1'  48   3.520   6.200    10.00    10.00
H8   13 1H2' 12   2.200   5.180    10.00    10.00
H8   48 1H2' 47   2.200   5.180    10.00    10.00
H8   13 H3'  12   2.730   4.580    10.00    10.00
H8   48 H3'  47   2.730   4.580    10.00    10.00
H8   13 1H2' 13   2.290   3.350    10.00    10.00
H8   48 1H2' 48   2.290   3.350    10.00    10.00
H8   13 H1'  13   2.860   6.360    10.00    10.00
H8   48 H1'  48   2.860   6.360    10.00    10.00
#H8   13 H3'  13   2.370   3.160    10.00    10.00
#H8   48 H3'  48   2.370   3.160    10.00    10.00
H1'  14 H2   13   3.210   4.090    10.00    10.00
H1'  49 H2   48   3.210   4.090    10.00    10.00
H4'  14 H1'  14   2.590   4.430    10.00    10.00
H4'  49 H1'  49   2.590   4.430    10.00    10.00
H8   14 1H2' 13   2.680   3.570    10.00    10.00
H8   49 1H2' 48   2.680   3.570    10.00    10.00
H8   14 2H5' 14   2.800   7.420    10.00    10.00
H8   49 2H5' 49   2.800   7.420    10.00    10.00
H8   14 1H2' 14   2.190   3.220    10.00    10.00
H8   49 1H2' 49   2.190   3.220    10.00    10.00
H8   14 H1'  14   2.830   6.340    10.00    10.00
H8   49 H1'  49   2.830   6.340    10.00    10.00
H1'  15 H2   14   3.410   4.050    10.00    10.00
H1'  50 H2   49   3.410   4.050    10.00    10.00
H8   15 1H2' 14   2.500   3.280    10.00    10.00
H8   50 1H2' 49   2.500   3.280    10.00    10.00
H8   15 H1'  14   3.460   7.520    10.00    10.00
H8   50 H1'  49   3.460   7.520    10.00    10.00
H8   15 H1'  15   3.220   4.110    10.00    10.00
H8   50 H1'  50   3.220   4.110    10.00    10.00
H6   16 1H2' 15   2.260   2.940    10.00    10.00
H6   51 1H2' 50   2.260   2.940    10.00    10.00
H8   17 1H2' 16   1.850   2.100    10.00    10.00
H8   52 1H2' 51   1.850   2.100    10.00    10.00
H8   17 H1'  17   3.060   4.260    10.00    10.00
H8   52 H1'  52   3.060   4.260    10.00    10.00
H6   18 1H2' 17   1.970   2.210    10.00    10.00
H6   53 1H2' 52   1.970   2.210    10.00    10.00
H6   18 H1'  18   3.060   4.540    10.00    10.00
H6   53 H1'  53   3.060   4.540    10.00    10.00
H8   19 H1'  19   3.490   5.390    10.00    10.00
H8   54 H1'  54   3.490   5.390    10.00    10.00
#H4'  21 H1'  21   3.340   4.590    10.00    10.00
#H4'  56 H1'  56   3.340   4.590    10.00    10.00
H8   21 1H2' 20   2.350   2.590    10.00    10.00
H8   56 1H2' 55   2.350   2.590    10.00    10.00
H8   21 H1'  21   3.230   4.010    10.00    10.00
H8   56 H1'  56   3.230   4.010    10.00    10.00
H1'  22 H2   21   2.890   3.360    10.00    10.00
H1'  57 H2   56   2.890   3.360    10.00    10.00
H1'  23 1H2' 22   3.280   3.880    10.00    10.00
H1'  58 1H2' 57   3.280   3.880    10.00    10.00
H8   23 H1'  23   3.450   4.450    10.00    10.00
H8   58 H1'  58   3.450   4.450    10.00    10.00
H8   24 1H2' 23   2.310   3.020    10.00    10.00
H8   59 1H2' 58   2.310   3.020    10.00    10.00
H8   24 H1'  24   3.440   4.630    10.00    10.00
H8   59 H1'  59   3.440   4.630    10.00    10.00
H6   25 1H2' 24   2.010   2.230    10.00    10.00
H6   60 1H2' 59   2.010   2.230    10.00    10.00
H8   26 1H2' 25   2.170   2.370    10.00    10.00
H8   61 1H2' 60   2.170   2.370    10.00    10.00
H8   26 H1'  26   3.110   5.770    10.00    10.00
H8   61 H1'  61   3.110   5.770    10.00    10.00
H1'  27 H2   26   3.000   3.470    10.00    10.00
H1'  62 H2   61   3.000   3.470    10.00    10.00
H8   27 1H2' 26   2.340   2.830    10.00    10.00
H8   62 1H2' 61   2.340   2.830    10.00    10.00
H8   27 H1'  26   3.540   7.170    10.00    10.00
H8   62 H1'  61   3.540   7.170    10.00    10.00
H8   27 H3'  26   3.010   5.050    10.00    10.00
H8   62 H3'  61   3.010   5.050    10.00    10.00
H8   27 H1'  27   3.300   5.600    10.00    10.00
H8   62 H1'  62   3.300   5.600    10.00    10.00
H1'  28 H2   27   2.930   3.510    10.00    10.00
H1'  63 H2   62   2.930   3.510    10.00    10.00
H8   28 1H2' 27   2.150   2.710    10.00    10.00
H8   63 1H2' 62   2.150   2.710    10.00    10.00
H8   29 1H2' 28   2.230   2.910    10.00    10.00
H8   64 1H2' 63   2.230   2.910    10.00    10.00
H8   29 H1'  29   2.610   4.700    10.00    10.00
H8   64 H1'  64   2.610   4.700    10.00    10.00
H1'  30 H2   29   3.300   4.150    10.00    10.00
H1'  65 H2   64   3.300   4.150    10.00    10.00
H8   30 1H2' 30   3.080   4.480    10.00    10.00
H8   65 1H2' 65   3.080   4.480    10.00    10.00
H8   31 H1'  31   2.830   3.510    10.00    10.00
H8   66 H1'  66   2.830   3.510    10.00    10.00
H6   32 1H2' 31   2.720   3.690    10.00    10.00
H6   67 1H2' 66   2.720   3.690    10.00    10.00
H6   32 H3'  31   2.940   5.710    10.00    10.00
H6   67 H3'  66   2.940   5.710    10.00    10.00
H8   33 1H2' 32   1.950   2.170    10.00    10.00
H8   68 1H2' 67   1.950   2.170    10.00    10.00
H6   34 1H2' 33   2.150   2.360    10.00    10.00
H6   69 1H2' 68   2.150   2.360    10.00    10.00
H5   35 H5   34   3.400   4.360    10.00    10.00
H5   70 H5   69   3.400   4.360    10.00    10.00
H6   35 1H2' 34   1.880   2.930    10.00    10.00
H6   70 1H2' 69   1.880   2.930    10.00    10.00
H2   37 H1'  35   3.240   3.990    10.00    10.00
H2    2 H1'  70   3.240   3.990    10.00    10.00
H1'  41 H2   29   3.330   4.100    10.00    10.00
H1'   6 H2   64   3.330   4.100    10.00    10.00
H1'  43 H2   27   3.140   3.680    10.00    10.00
H1'   8 H2   62   3.140   3.680    10.00    10.00
H1'  44 H2   26   2.990   3.850    10.00    10.00
H1'   9 H2   61   2.990   3.850    10.00    10.00
H1'  50 H2   21   3.190   3.750    10.00    10.00
H1'  15 H2   56   3.190   3.750    10.00    10.00
H8    1 H1'   1   3.440   6.960    10.00    10.00
H8   36 H1'  36   3.440   6.960    10.00    10.00
H8    1 H3'   1   2.760   5.410    10.00    10.00
H8   36 H3'  36   2.760   5.410    10.00    10.00
H2    2 H1'   2   4.240   5.370    10.00    10.00
H2   37 H1'  37   4.240   5.370    10.00    10.00
H8    2 H1'   1   3.100   6.180    10.00    10.00
H8   37 H1'  36   3.100   6.180    10.00    10.00
H8    2 H1'   2   3.140   6.690    10.00    10.00
H8   37 H1'  37   3.140   6.690    10.00    10.00
H5    3 H1'   2   4.010   7.540    10.00    10.00
H5   38 H1'  37   4.010   7.540    10.00    10.00
H5    3 H8    2   3.620   7.010    10.00    10.00
H5   38 H8   37   3.620   7.010    10.00    10.00
H6    3 H1'   2   2.960   7.040    10.00    10.00
H6   38 H1'  37   2.960   7.040    10.00    10.00
H8    4 H1'   4   3.440   5.090    10.00    10.00
H8   39 H1'  39   3.440   5.090    10.00    10.00
H8    5 H1'   4   3.940   7.950    10.00    10.00
H8   40 H1'  39   3.940   7.950    10.00    10.00
H6    6 H1'   5   4.390   7.160    10.00    10.00
H6   41 H1'  40   4.390   7.160    10.00    10.00
H5    7 H5    6   3.250   4.040    10.00    10.00
H5   42 H5   41   3.250   4.040    10.00    10.00
H5    7 H6    6   3.240   5.950    10.00    10.00
H5   42 H6   41   3.240   5.950    10.00    10.00
H6    8 H1'   8   3.050   4.470    10.00    10.00
H6   43 H1'  43   3.050   4.470    10.00    10.00
H8    9 H1'   9   3.210   5.680    10.00    10.00
H8   44 H1'  44   3.210   5.680    10.00    10.00
H5   10 H1'   9   4.720   7.690    10.00    10.00
H5   45 H1'  44   4.720   7.690    10.00    10.00
H5   10 H3'  10   3.410   7.240    10.00    10.00
H5   45 H3'  45   3.410   7.240    10.00    10.00
H6   10 H1'   9   3.130   6.320    10.00    10.00
H6   45 H1'  44   3.130   6.320    10.00    10.00
H6   10 H1'  10   3.280   5.630    10.00    10.00
H6   45 H1'  45   3.280   5.630    10.00    10.00
H5   11 H5   10   3.090   3.560    10.00    10.00
H5   46 H5   45   3.090   3.560    10.00    10.00
H5   11 H6   10   2.830   6.730    10.00    10.00
H5   46 H6   45   2.830   6.730    10.00    10.00
H6   11 H1'  10   3.430   7.640    10.00    10.00
H6   46 H1'  45   3.430   7.640    10.00    10.00
H6   11 H3'  10   2.860   3.730    10.00    10.00
H6   46 H3'  45   2.860   3.730    10.00    10.00
H6   11 1H2' 11   2.430   7.010    10.00    10.00
H6   46 1H2' 46   2.430   7.010    10.00    10.00
H6   11 H1'  11   3.080   6.140    10.00    10.00
H6   46 H1'  46   3.080   6.140    10.00    10.00
H8   12 H1'  11   3.010   7.540    10.00    10.00
H8   47 H1'  46   3.010   7.540    10.00    10.00
H8   12 H1'  12   2.850   6.970    10.00    10.00
H8   47 H1'  47   2.850   6.970    10.00    10.00
H8   12 H4'  12   2.780   6.900    10.00    10.00
H8   47 H4'  47   2.780   6.900    10.00    10.00
H8   13 H1'  12   2.770   7.740    10.00    10.00
H8   48 H1'  47   2.770   7.740    10.00    10.00
H8   13 1H5' 13   2.700   6.040    10.00    10.00
H8   48 1H5' 48   2.700   6.040    10.00    10.00
H8   13 2H5' 13   3.460   6.430    10.00    10.00
H8   48 2H5' 48   3.460   6.430    10.00    10.00
H8   13 H4'  13   3.100   7.790    10.00    10.00
H8   48 H4'  48   3.100   7.790    10.00    10.00
H1'  14 1H2' 13   3.040   6.930    10.00    10.00
H1'  49 1H2' 48   3.040   6.930    10.00    10.00
H2   14 H1'  13   4.300   6.390    10.00    10.00
H2   49 H1'  48   4.300   6.390    10.00    10.00
H2   14 H1'  14   3.700   5.530    10.00    10.00
H2   49 H1'  49   3.700   5.530    10.00    10.00
H8   14 H1'  13   3.410   6.980    10.00    10.00
H8   49 H1'  48   3.410   6.980    10.00    10.00
H8   14 H4'  13   3.600   7.590    10.00    10.00
H8   49 H4'  48   3.600   7.590    10.00    10.00
H8   14 1H5' 14   2.960   6.710    10.00    10.00
H8   49 1H5' 49   2.960   6.710    10.00    10.00
H8   14 H4'  14   3.690   7.680    10.00    10.00
H8   49 H4'  49   3.690   7.680    10.00    10.00
H8   15 H2   14   4.410   6.120    10.00    10.00
H8   50 H2   49   4.410   6.120    10.00    10.00
H8   15 H8   14   3.730   7.660    10.00    10.00
H8   50 H8   49   3.730   7.660    10.00    10.00
H1'  16 1H2' 15   3.280   4.260    10.00    10.00
H1'  51 1H2' 50   3.280   4.260    10.00    10.00
H5   16 H1'  15   3.490   7.110    10.00    10.00
H5   51 H1'  50   3.490   7.110    10.00    10.00
H6   16 H1'  15   2.680   7.430    10.00    10.00
H6   51 H1'  50   2.680   7.430    10.00    10.00
H6   16 H1'  16   2.890   4.130    10.00    10.00
H6   51 H1'  51   2.890   4.130    10.00    10.00
H8   17 H1'  16   3.240   7.550    10.00    10.00
H8   52 H1'  51   3.240   7.550    10.00    10.00
H6   18 H1'  17   3.230   7.510    10.00    10.00
H6   53 H1'  52   3.230   7.510    10.00    10.00
H8   19 H1'  18   3.140   6.090    10.00    10.00
H8   54 H1'  53   3.140   6.090    10.00    10.00
H1'  20 H1'  19   4.400   7.510    10.00    10.00
H1'  55 H1'  54   4.400   7.510    10.00    10.00
H6   20 H1'  19   3.280   6.500    10.00    10.00
H6   55 H1'  54   3.280   6.500    10.00    10.00
H6   20 H1'  20   3.120   4.500    10.00    10.00
H6   55 H1'  55   3.120   4.500    10.00    10.00
H8   21 H1'  20   3.650   6.820    10.00    10.00
H8   56 H1'  55   3.650   6.820    10.00    10.00
H5   22 H8   21   3.060   5.210    10.00    10.00
H5   57 H8   56   3.060   5.210    10.00    10.00
H6   22 H1'  21   3.800   7.330    10.00    10.00
H6   57 H1'  56   3.800   7.330    10.00    10.00
H8   23 1H2' 23   2.930   5.550    10.00    10.00
H8   58 1H2' 58   2.930   5.550    10.00    10.00
H8   24 H1'  23   3.700   7.330    10.00    10.00
H8   59 H1'  58   3.700   7.330    10.00    10.00
H8   24 H8   23   3.440   7.640    10.00    10.00
H8   59 H8   58   3.440   7.640    10.00    10.00
H5   25 H1'  24   3.380   7.660    10.00    10.00
H5   60 H1'  59   3.380   7.660    10.00    10.00
H5   25 H8   24   3.420   5.770    10.00    10.00
H5   60 H8   59   3.420   5.770    10.00    10.00
H6   25 H1'  24   3.270   7.360    10.00    10.00
H6   60 H1'  59   3.270   7.360    10.00    10.00
H6   25 H8   24   2.660   7.620    10.00    10.00
H6   60 H8   59   2.660   7.620    10.00    10.00
H6   25 H1'  25   3.420   4.100    10.00    10.00
H6   60 H1'  60   3.420   4.100    10.00    10.00
H4'  26 H1'  26   2.870   3.120    10.00    10.00
H4'  61 H1'  61   2.870   3.120    10.00    10.00
H2   26 H1'  26   3.620   6.000    10.00    10.00
H2   61 H1'  61   3.620   6.000    10.00    10.00
H8   26 H6   25   4.600   6.300    10.00    10.00
H8   61 H6   60   4.600   6.300    10.00    10.00
H2   27 H2   26   4.020   4.630    10.00    10.00
H2   62 H2   61   4.020   4.630    10.00    10.00
H2   27 H1'  27   4.140   5.160    10.00    10.00
H2   62 H1'  62   4.140   5.160    10.00    10.00
H8   27 H8   26   3.040   5.510    10.00    10.00
H8   62 H8   61   3.040   5.510    10.00    10.00
H8   28 H1'  27   3.800   6.990    10.00    10.00
H8   63 H1'  62   3.800   6.990    10.00    10.00
H8   28 H2   27   4.110   5.660    10.00    10.00
H8   63 H2   62   4.110   5.660    10.00    10.00
H8   28 1H2' 28   3.690   7.360    10.00    10.00
H8   63 1H2' 63   3.690   7.360    10.00    10.00
H8   28 H1'  28   3.520   5.190    10.00    10.00
H8   63 H1'  63   3.520   5.190    10.00    10.00
H1'  29 1H2' 28   3.180   4.150    10.00    10.00
H1'  64 1H2' 63   3.180   4.150    10.00    10.00
H8   29 H8   28   3.380   7.380    10.00    10.00
H8   64 H8   63   3.380   7.380    10.00    10.00
H8   30 H1'  30   2.900   3.910    10.00    10.00
H8   65 H1'  65   2.900   3.910    10.00    10.00
H5   32 H1'  31   3.060   6.690    10.00    10.00
H5   67 H1'  66   3.060   6.690    10.00    10.00
H6   32 H1'  31   2.790   5.510    10.00    10.00
H6   67 H1'  66   2.790   5.510    10.00    10.00
H8   33 H1'  33   2.860   4.660    10.00    10.00
H8   68 H1'  68   2.860   4.660    10.00    10.00
H6   34 H1'  33   2.730   7.390    10.00    10.00
H6   69 H1'  68   2.730   7.390    10.00    10.00
H1'  35 1H2' 34   2.910   6.510    10.00    10.00
H1'  70 1H2' 69   2.910   6.510    10.00    10.00
H5   35 1H2' 34   3.060   6.750    10.00    10.00
H5   70 1H2' 69   3.060   6.750    10.00    10.00
H5   35 1H2' 35   3.130   6.020    10.00    10.00
H5   70 1H2' 70   3.130   6.020    10.00    10.00
H6   35 1H2' 35   2.630   5.620    10.00    10.00
H6   70 1H2' 70   2.630   5.620    10.00    10.00
H6   35 H1'  35   2.730   5.940    10.00    10.00
H6   70 H1'  70   2.730   5.940    10.00    10.00
H5   43 H2   27   4.260   5.690    10.00    10.00
H5    8 H2   62   4.260   5.690    10.00    10.00
H2   48 H2   21   4.070   5.270    10.00    10.00
H2   13 H2   56   4.070   5.270    10.00    10.00
H2   48 H1'  22   4.320   6.010    10.00    10.00
H2   13 H1'  57   4.320   6.010    10.00    10.00
H2   49 H2   21   3.900   4.630    10.00    10.00
H2   14 H2   56   3.900   4.630    10.00    10.00
H1'   2 H1'   1   3.670   7.470    10.00    10.00
H1'  37 H1'  36   3.670   7.470    10.00    10.00
H6    3 H1'   3   3.320   4.540    10.00    10.00
H6   38 H1'  38   3.320   4.540    10.00    10.00
H5    8 H5    7   3.730   4.490    10.00    10.00
H5   43 H5   42   3.730   4.490    10.00    10.00
H5    8 H6    7   3.910   5.170    10.00    10.00
H5   43 H6   42   3.910   5.170    10.00    10.00
H6    8 H1'   7   3.360   5.810    10.00    10.00
H6   43 H1'  42   3.360   5.810    10.00    10.00
H8    9 H6    8   2.850   6.100    10.00    10.00
H8   44 H6   43   2.850   6.100    10.00    10.00
H5   11 H1'  10   3.120   7.010    10.00    10.00
H5   46 H1'  45   3.120   7.010    10.00    10.00
H8   13 H8   12   2.800   7.420    10.00    10.00
H8   48 H8   47   2.800   7.420    10.00    10.00
H1'  16 H1'  15   4.070   7.060    10.00    10.00
H1'  51 H1'  50   4.070   7.060    10.00    10.00
H5   16 H1'  16   4.480   7.670    10.00    10.00
H5   51 H1'  51   4.480   7.670    10.00    10.00
H8   17 H5   16   3.950   6.230    10.00    10.00
H8   52 H5   51   3.950   6.230    10.00    10.00
H5   18 H1'  17   4.390   7.370    10.00    10.00
H5   53 H1'  52   4.390   7.370    10.00    10.00
H5   18 H8   17   3.550   4.140    10.00    10.00
H5   53 H8   52   3.550   4.140    10.00    10.00
H5   18 H1'  18   4.350   7.820    10.00    10.00
H5   53 H1'  53   4.350   7.820    10.00    10.00
H5   20 H1'  19   4.240   6.950    10.00    10.00
H5   55 H1'  54   4.240   6.950    10.00    10.00
H1'  21 H1'  20   4.070   7.470    10.00    10.00
H1'  56 H1'  55   4.070   7.470    10.00    10.00
H1'  24 1H2' 23   3.230   3.630    10.00    10.00
H1'  59 1H2' 58   3.230   3.630    10.00    10.00
H8   26 1H2' 26   3.890   5.920    10.00    10.00
H8   61 1H2' 61   3.890   5.920    10.00    10.00
H8   26 H3'  26   2.520   2.870    10.00    10.00
H8   61 H3'  61   2.520   2.870    10.00    10.00
H1'  27 1H2' 26   3.110   3.440    10.00    10.00
H1'  62 1H2' 61   3.110   3.440    10.00    10.00
H2   27 1H2' 27   3.830   4.890    10.00    10.00
H2   62 1H2' 62   3.830   4.890    10.00    10.00
H8   27 H2   26   4.430   7.070    10.00    10.00
H8   62 H2   61   4.430   7.070    10.00    10.00
H2   29 H1'  29   3.810   5.040    10.00    10.00
H2   64 H1'  64   3.810   5.040    10.00    10.00
#H8   29 H3'  29   2.310   2.960    10.00    10.00
#H8   64 H3'  64   2.310   2.960    10.00    10.00
H1'  31 H2   29   3.320   5.000    10.00    10.00
H1'  66 H2   64   3.320   5.000    10.00    10.00
H8   31 1H2' 31   3.420   3.950    10.00    10.00
H8   66 1H2' 66   3.420   3.950    10.00    10.00
H8   31 H3'  31   4.070   7.390    10.00    10.00
H8   66 H3'  66   4.070   7.390    10.00    10.00
H6   35 H1'  34   3.310   5.580    10.00    10.00
H6   70 H1'  69   3.310   5.580    10.00    10.00
H2   37 H1'  34   4.120   4.840    10.00    10.00
H2    2 H1'  69   4.120   4.840    10.00    10.00
H1'   2 1H2'  1   3.150   5.430    10.00    10.00
H1'  37 1H2' 36   3.150   5.430    10.00    10.00
H8    2 H8    1   3.780   6.290    10.00    10.00
H8   37 H8   36   3.780   6.290    10.00    10.00
H5    3 1H2'  2   2.740   3.750    10.00    10.00
H5   38 1H2' 37   2.740   3.750    10.00    10.00
H5    3 H1'   3   5.480   7.220    10.00    10.00
H5   38 H1'  38   5.480   7.220    10.00    10.00
H8    4 1H2'  4   2.810   5.030    10.00    10.00
H8   39 1H2' 39   2.810   5.030    10.00    10.00
H5    6 1H2'  5   3.070   6.490    10.00    10.00
H5   41 1H2' 40   3.070   6.490    10.00    10.00
H5    6 H1'   5   3.380   7.270    10.00    10.00
H5   41 H1'  40   3.380   7.270    10.00    10.00
H5    6 H1'   6   5.550   7.310    10.00    10.00
H5   41 H1'  41   5.550   7.310    10.00    10.00
H6    6 H8    5   3.910   7.190    10.00    10.00
H6   41 H8   40   3.910   7.190    10.00    10.00
H1'   9 H1'   8   4.840   7.860    10.00    10.00
H1'  44 H1'  43   4.840   7.860    10.00    10.00
H1'  10 H1'   9   4.460   7.520    10.00    10.00
H1'  45 H1'  44   4.460   7.520    10.00    10.00
H5   10 H8    9   2.850   4.230    10.00    10.00
H5   45 H8   44   2.850   4.230    10.00    10.00
H1'  11 H1'  10   4.770   7.770    10.00    10.00
H1'  46 H1'  45   4.770   7.770    10.00    10.00
H1'  13 H1'  12   3.410   6.620    10.00    10.00
H1'  48 H1'  47   3.410   6.620    10.00    10.00
H4'  14 H1'  13   3.560   6.970    10.00    10.00
H4'  49 H1'  48   3.560   6.970    10.00    10.00
H2   14 1H2' 14   4.380   6.360    10.00    10.00
H2   49 1H2' 49   4.380   6.360    10.00    10.00
H5   16 1H2' 15   2.730   4.980    10.00    10.00
H5   51 1H2' 50   2.730   4.980    10.00    10.00
H1'  17 H1'  16   4.480   7.470    10.00    10.00
H1'  52 H1'  51   4.480   7.470    10.00    10.00
H8   17 H6   16   3.060   6.840    10.00    10.00
H8   52 H6   51   3.060   6.840    10.00    10.00
H8   19 H6   18   3.760   7.050    10.00    10.00
H8   54 H6   53   3.760   7.050    10.00    10.00
H5   20 H1'  20   4.170   7.770    10.00    10.00
H5   55 H1'  55   4.170   7.770    10.00    10.00
H8   21 H5   20   3.310   6.410    10.00    10.00
H8   56 H5   55   3.310   6.410    10.00    10.00
H6   22 H2   21   3.840   4.790    10.00    10.00
H6   57 H2   56   3.840   4.790    10.00    10.00
H1'  23 H1'  22   4.700   7.880    10.00    10.00
H1'  58 H1'  57   4.700   7.880    10.00    10.00
H5   25 H1'  25   5.430   7.560    10.00    10.00
H5   60 H1'  60   5.430   7.560    10.00    10.00
H1'  26 H1'  25   4.460   7.220    10.00    10.00
H1'  61 H1'  60   4.460   7.220    10.00    10.00
H2   26 1H2' 26   4.010   5.320    10.00    10.00
H2   61 1H2' 61   4.010   5.320    10.00    10.00
H1'  27 H1'  26   4.830   7.910    10.00    10.00
H1'  62 H1'  61   4.830   7.910    10.00    10.00
H1'  28 H1'  27   4.020   7.700    10.00    10.00
H1'  63 H1'  62   4.020   7.700    10.00    10.00
H8   28 H8   27   4.250   6.140    10.00    10.00
H8   63 H8   62   4.250   6.140    10.00    10.00
H1'  29 H1'  28   4.070   7.460    10.00    10.00
H1'  64 H1'  63   4.070   7.460    10.00    10.00
1H2' 30 H2   29   3.770   5.660    10.00    10.00
1H2' 65 H2   64   3.770   5.660    10.00    10.00
H1'  30 H1'  29   5.900   7.290    10.00    10.00
H1'  65 H1'  64   5.900   7.290    10.00    10.00
H8   30 H8   29   3.950   7.590    10.00    10.00
H8   65 H8   64   3.950   7.590    10.00    10.00
#H8   31 H3'  30   3.180   3.870    10.00    10.00
#H8   66 H3'  65   3.180   3.870    10.00    10.00
H1'  32 H1'  31   4.190   6.880    10.00    10.00
H1'  67 H1'  66   4.190   6.880    10.00    10.00
H5   32 1H2' 31   3.340   6.230    10.00    10.00
H5   67 1H2' 66   3.340   6.230    10.00    10.00
H5   32 H3'  31   3.160   5.890    10.00    10.00
H5   67 H3'  66   3.160   5.890    10.00    10.00
H5   32 H8   31   4.740   7.550    10.00    10.00
H5   67 H8   66   4.740   7.550    10.00    10.00
H1'  33 H1'  32   4.620   7.800    10.00    10.00
H1'  68 H1'  67   4.620   7.800    10.00    10.00
H6   34 H3'  33   2.410   3.540    10.00    10.00
H6   69 H3'  68   2.410   3.540    10.00    10.00
H5   35 H1'  34   3.890   7.880    10.00    10.00
H5   70 H1'  69   3.890   7.880    10.00    10.00
H5   35 H6   34   3.450   7.510    10.00    10.00
H5   70 H6   69   3.450   7.510    10.00    10.00
H5   35 H1'  35   3.290   7.020    10.00    10.00
H5   70 H1'  70   3.290   7.020    10.00    10.00
H1'  43 H2   26   4.380   5.250    10.00    10.00
H1'   8 H2   61   4.380   5.250    10.00    10.00
H6   43 H2   27   4.170   6.120    10.00    10.00
H6    8 H2   62   4.170   6.120    10.00    10.00
H8   44 H2   26   4.470   7.030    10.00    10.00
H8    9 H2   61   4.470   7.030    10.00    10.00
H2   48 H5   22   4.490   6.120    10.00    10.00
H2   13 H5   57   4.490   6.120    10.00    10.00
H5   69 H3'  68   3.960   4.390    10.00    10.00
H5   34 H3'  33   3.960   4.390    10.00    10.00
#inp= Mix_300/30_32.mardi * filter= filter *** Mon Dec 19 11:31:52 2005
H1'   3 H1'   2   4.400   7.290    10.00    10.00
H1'  38 H1'  37   4.400   7.290    10.00    10.00
H5    3 H2    2   5.040   7.690    10.00    10.00
H5   38 H2   37   5.040   7.690    10.00    10.00
H1'   4 H1'   3   4.770   7.750    10.00    10.00
H1'  39 H1'  38   4.770   7.750    10.00    10.00
H1'   5 1H2'  4   3.290   4.040    10.00    10.00
H1'  40 1H2' 39   3.290   4.040    10.00    10.00
H1'   5 H1'   4   4.200   7.110    10.00    10.00
H1'  40 H1'  39   4.200   7.110    10.00    10.00
H1'   6 H1'   5   4.600   7.610    10.00    10.00
H1'  41 H1'  40   4.600   7.610    10.00    10.00
H5    6 H8    5   4.020   7.460    10.00    10.00
H5   41 H8   40   4.020   7.460    10.00    10.00
H5    6 1H2'  6   3.630   7.720    10.00    10.00
H5   41 1H2' 41   3.630   7.720    10.00    10.00
H1'   8 H1'   7   3.680   5.380    10.00    10.00
H1'  43 H1'  42   3.680   5.380    10.00    10.00
H5    8 H1'   7   3.660   6.880    10.00    10.00
H5   43 H1'  42   3.660   6.880    10.00    10.00
H6   10 H8    9   3.630   6.160    10.00    10.00
H6   45 H8   44   3.630   6.160    10.00    10.00
H5   11 H1'  11   3.480   5.450    10.00    10.00
H5   46 H1'  46   3.480   5.450    10.00    10.00
H6   11 H5   10   3.290   6.120    10.00    10.00
H6   46 H5   45   3.290   6.120    10.00    10.00
H6   11 H6   10   3.230   4.710    10.00    10.00
H6   46 H6   45   3.230   4.710    10.00    10.00
H8   12 H6   11   3.800   6.920    10.00    10.00
H8   47 H6   46   3.800   6.920    10.00    10.00
H1'  13 1H2' 12   3.700   7.490    10.00    10.00
H1'  48 1H2' 47   3.700   7.490    10.00    10.00
H1'  13 H8   12   4.350   7.590    10.00    10.00
H1'  48 H8   47   4.350   7.590    10.00    10.00
H8   13 H2   13   5.350   7.760    10.00    10.00
H8   48 H2   48   5.350   7.760    10.00    10.00
H1'  14 H8   13   4.370   7.850    10.00    10.00
H1'  49 H8   48   4.370   7.850    10.00    10.00
H8   14 H2   13   5.430   7.550    10.00    10.00
H8   49 H2   48   5.430   7.550    10.00    10.00
H8   14 H8   13   3.690   5.530    10.00    10.00
H8   49 H8   48   3.690   5.530    10.00    10.00
H8   14 H2   14   4.960   7.440    10.00    10.00
H8   49 H2   49   4.960   7.440    10.00    10.00
H1'  15 H1'  14   4.430   7.020    10.00    10.00
H1'  50 H1'  49   4.430   7.020    10.00    10.00
H8   15 H1'  13   4.720   7.540    10.00    10.00
H8   50 H1'  48   4.720   7.540    10.00    10.00
H8   15 H2   13   4.940   7.050    10.00    10.00
H8   50 H2   48   4.940   7.050    10.00    10.00
H6   18 H8   17   3.610   7.090    10.00    10.00
H6   53 H8   52   3.610   7.090    10.00    10.00
H8   21 H6   20   3.630   7.220    10.00    10.00
H8   56 H6   55   3.630   7.220    10.00    10.00
H8   21 H2   21   5.720   7.880    10.00    10.00
H8   56 H2   56   5.720   7.880    10.00    10.00
H6   22 H8   21   3.780   6.320    10.00    10.00
H6   57 H8   56   3.780   6.320    10.00    10.00
H1'  25 H1'  24   4.050   6.830    10.00    10.00
H1'  60 H1'  59   4.050   6.830    10.00    10.00
H8   26 H5   25   3.850   7.390    10.00    10.00
H8   61 H5   60   3.850   7.390    10.00    10.00
H8   26 H2   26   4.840   7.350    10.00    10.00
H8   61 H2   61   4.840   7.350    10.00    10.00
1H2' 28 H2   27   4.460   7.500    10.00    10.00
1H2' 63 H2   62   4.460   7.500    10.00    10.00
H8   30 H2   29   4.760   7.520    10.00    10.00
H8   65 H2   64   4.760   7.520    10.00    10.00
H1'  31 H1'  30   4.110   6.710    10.00    10.00
H1'  66 H1'  65   4.110   6.710    10.00    10.00
H8   31 H1'  30   4.170   7.500    10.00    10.00
H8   66 H1'  65   4.170   7.500    10.00    10.00
H6   32 H8   31   4.480   7.580    10.00    10.00
H6   67 H8   66   4.480   7.580    10.00    10.00
H1'  34 H1'  33   4.420   6.970    10.00    10.00
H1'  69 H1'  68   4.420   6.970    10.00    10.00
H5   34 H1'  33   3.970   7.770    10.00    10.00
H5   69 H1'  68   3.970   7.770    10.00    10.00
H5   34 H8   33   3.710   7.490    10.00    10.00
H5   69 H8   68   3.710   7.490    10.00    10.00
H5   34 H1'  34   4.590   7.420    10.00    10.00
H5   69 H1'  69   4.590   7.420    10.00    10.00
H1'  35 H1'  34   4.340   7.510    10.00    10.00
H1'  70 H1'  69   4.340   7.510    10.00    10.00
H6   35 H5   34   3.440   6.030    10.00    10.00
H6   70 H5   69   3.440   6.030    10.00    10.00
H6   41 H2   29   4.400   7.280    10.00    10.00
H6    6 H2   64   4.400   7.280    10.00    10.00
H1'  43 H1'  27   4.400   7.030    10.00    10.00
H1'   8 H1'  62   4.400   7.030    10.00    10.00
H1'  43 H1'  28   4.570   6.690    10.00    10.00
H1'   8 H1'  63   4.570   6.690    10.00    10.00
H6   43 H2   26   4.640   7.540    10.00    10.00
H6    8 H2   61   4.640   7.540    10.00    10.00
H1'  44 H2   27   5.180   7.640    10.00    10.00
H1'   9 H2   62   5.180   7.640    10.00    10.00
H5   45 H2   26   4.800   7.480    10.00    10.00
H5   10 H2   61   4.800   7.480    10.00    10.00
H1'  48 H2   21   5.020   7.340    10.00    10.00
H1'  13 H2   56   5.020   7.340    10.00    10.00
H1'  49 H2   21   4.850   7.550    10.00    10.00
H1'  14 H2   56   4.850   7.550    10.00    10.00
H2   49 H1'  21   5.180   7.360    10.00    10.00
H2   14 H1'  56   5.180   7.360    10.00    10.00
H1'  50 H1'  22   4.720   7.290    10.00    10.00
H1'  15 H1'  57   4.720   7.290    10.00    10.00
H2   62 H8    9   5.400   7.630    10.00    10.00
H2   27 H8   44   5.400   7.630    10.00    10.00
##
# HYDROGEN BOND RESTRAINTS
# WC GA pair (average +/- standard deviation)
#O6    5 N6   64   2.880   3.440    10.00    10.00   G5*A29
#O6   40 N6   29   2.880   3.440    10.00    10.00   G5*A29
#N1    5 N1   64   2.700   2.900    10.00    10.00
#N1   40 N1   29   2.700   2.900    10.00    10.00
#O6    5 1H6  64   1.870   2.530    10.00    10.00
#O6   40 1H6  29   1.870   2.530    10.00    10.00
#H1    5 N1   64   1.710   2.050    10.00    10.00
#H1   40 N1   29   1.710   2.050    10.00    10.00
# Watson-Crick Hbonds
#N2    1 O2   70   2.800   3.000    20.00    20.00   G1-C35
#N2   36 O2   35   2.800   3.000    20.00    20.00   G1-C35
#N1    1 N3   70   2.800   3.000    20.00    20.00
#N1   36 N3   35   2.800   3.000    20.00    20.00
#O6    1 N4   70   2.800   3.000    20.00    20.00
#O6   36 N4   35   2.800   3.000    20.00    20.00
#1H2   1 O2   70   1.700   1.900    20.00    20.00
#1H2  36 O2   35   1.700   1.900    20.00    20.00
#H1    1 N3   70   1.700   1.900    20.00    20.00
#H1   36 N3   35   1.700   1.900    20.00    20.00
#O6    1 1H4  70   1.700   1.900    20.00    20.00
#O6   36 1H4  35   1.700   1.900    20.00    20.00
N1    2 N3   69   2.800   3.000    10.00    10.00   A2-U34
N1   37 N3   34   2.800   3.000    10.00    10.00   A2-U34
N6    2 O4   69   2.800   3.000    10.00    10.00
N6   37 O4   34   2.800   3.000    10.00    10.00
N1    2 H3   69   1.700   1.900    10.00    10.00
N1   37 H3   34   1.700   1.900    10.00    10.00
1H6   2 O4   69   1.700   1.900    10.00    10.00
1H6  37 O4   34   1.700   1.900    10.00    10.00
N2   33 O2   38   2.800   3.000    20.00    20.00   G33-C3
N2   68 O2    3   2.800   3.000    20.00    20.00   G33-C3
N1   33 N3   38   2.800   3.000    20.00    20.00
N1   68 N3    3   2.800   3.000    20.00    20.00
O6   33 N4   38   2.800   3.000    20.00    20.00
O6   68 N4    3   2.800   3.000    20.00    20.00
1H2  33 O2   38   1.700   1.900    20.00    20.00
1H2  68 O2    3   1.700   1.900    20.00    20.00
H1   33 N3   38   1.700   1.900    20.00    20.00
H1   68 N3    3   1.700   1.900    20.00    20.00
O6   33 1H4  38   1.700   1.900    20.00    20.00
O6   68 1H4   3   1.700   1.900    20.00    20.00
#N2    4 O2   67   2.800   3.000    20.00    20.00   G4-C32
#N2   39 O2   32   2.800   3.000    20.00    20.00   G4-C32
#N1    4 N3   67   2.800   3.000    20.00    20.00
#N1   39 N3   32   2.800   3.000    20.00    20.00
#O6    4 N4   67   2.800   3.000    20.00    20.00
#O6   39 N4   32   2.800   3.000    20.00    20.00
#1H2   4 O2   67   1.700   1.900    20.00    20.00
#1H2  39 O2   32   1.700   1.900    20.00    20.00
#H1    4 N3   67   1.700   1.900    20.00    20.00
#H1   39 N3   32   1.700   1.900    20.00    20.00
#O6    4 1H4  67   1.700   1.900    20.00    20.00
#O6   39 1H4  32   1.700   1.900    20.00    20.00
#N2   28 O2   41   2.800   3.000    20.00    20.00   G28-C6
#N2   63 O2    6   2.800   3.000    20.00    20.00   G28-C6
#N1   28 N3   41   2.800   3.000    20.00    20.00
#N1   63 N3    6   2.800   3.000    20.00    20.00
#O6   28 N4   41   2.800   3.000    20.00    20.00
#O6   63 N4    6   2.800   3.000    20.00    20.00
#1H2  28 O2   41   1.700   1.900    20.00    20.00
#1H2  63 O2    6   1.700   1.900    20.00    20.00
#H1   28 N3   41   1.700   1.900    20.00    20.00
#H1   63 N3    6   1.700   1.900    20.00    20.00
#O6   28 1H4  41   1.700   1.900    20.00    20.00
#O6   63 1H4   6   1.700   1.900    20.00    20.00
N1   27 N3   42   2.800   3.000    10.00    10.00   A27-U7
N1   62 N3    7   2.800   3.000    10.00    10.00   A27-U7
N6   27 O4   42   2.800   3.000    10.00    10.00
N6   62 O4    7   2.800   3.000    10.00    10.00
N1   27 H3   42   1.700   1.900    10.00    10.00
N1   62 H3    7   1.700   1.900    10.00    10.00
1H6  27 O4   42   1.700   1.900    10.00    10.00
1H6  62 O4    7   1.700   1.900    10.00    10.00
N1   26 N3   43   2.800   3.000    10.00    10.00   A26-U8
N1   61 N3    8   2.800   3.000    10.00    10.00   A26-U8
N6   26 O4   43   2.800   3.000    10.00    10.00
N6   61 O4    8   2.800   3.000    10.00    10.00
N1   26 H3   43   1.700   1.900    10.00    10.00
N1   61 H3    8   1.700   1.900    10.00    10.00
1H6  26 O4   43   1.700   1.900    10.00    10.00
1H6  61 O4    8   1.700   1.900    10.00    10.00
N2    9 O2   60   2.800   3.000    20.00    20.00   G9-C25
N2   44 O2   25   2.800   3.000    20.00    20.00   G9-C25
N1    9 N3   60   2.800   3.000    20.00    20.00
N1   44 N3   25   2.800   3.000    20.00    20.00
O6    9 N4   60   2.800   3.000    20.00    20.00
O6   44 N4   25   2.800   3.000    20.00    20.00
1H2   9 O2   60   1.700   1.900    20.00    20.00
1H2  44 O2   25   1.700   1.900    20.00    20.00
H1    9 N3   60   1.700   1.900    20.00    20.00
H1   44 N3   25   1.700   1.900    20.00    20.00
O6    9 1H4  60   1.700   1.900    20.00    20.00
O6   44 1H4  25   1.700   1.900    20.00    20.00
N2   24 O2   45   2.800   3.000    20.00    20.00   G24-C10
N2   59 O2   10   2.800   3.000    20.00    20.00   G24-C10
N1   24 N3   45   2.800   3.000    20.00    20.00
N1   59 N3   10   2.800   3.000    20.00    20.00
O6   24 N4   45   2.800   3.000    20.00    20.00
O6   59 N4   10   2.800   3.000    20.00    20.00
1H2  24 O2   45   1.700   1.900    20.00    20.00
1H2  59 O2   10   1.700   1.900    20.00    20.00
H1   24 N3   45   1.700   1.900    20.00    20.00
H1   59 N3   10   1.700   1.900    20.00    20.00
O6   24 1H4  45   1.700   1.900    20.00    20.00
O6   59 1H4  10   1.700   1.900    20.00    20.00
O6   23 N3   46   2.720   2.960    10.00    10.00  G23*U11
O6   58 N3   11   2.720   2.960    10.00    10.00  G23*U11
N1   23 O2   46   2.620   2.840    10.00    10.00
N1   58 O2   11   2.620   2.840    10.00    10.00
O6   23 H3   46   1.710   1.970    10.00    10.00
O6   58 H3   11   1.710   1.970    10.00    10.00
H1   23 O2   46   1.620   1.840    10.00    10.00
H1   58 O2   11   1.620   1.840    10.00    10.00
#N2   12 O2   57   2.800   3.000    20.00    20.00   G12-C22
#N2   47 O2   22   2.800   3.000    20.00    20.00   G12-C22
#N1   12 N3   57   2.800   3.000    20.00    20.00
#N1   47 N3   22   2.800   3.000    20.00    20.00
#O6   12 N4   57   2.800   3.000    20.00    20.00
#O6   47 N4   22   2.800   3.000    20.00    20.00
#1H2  12 O2   57   1.700   1.900    20.00    20.00
#1H2  47 O2   22   1.700   1.900    20.00    20.00
#H1   12 N3   57   1.700   1.900    20.00    20.00
#H1   47 N3   22   1.700   1.900    20.00    20.00
#O6   12 1H4  57   1.700   1.900    20.00    20.00
#O6   47 1H4  22   1.700   1.900    20.00    20.00
N2   15 O2   55   2.800   3.000    20.00    20.00   G15-C20
N2   50 O2   20   2.800   3.000    20.00    20.00   G15-C20
N1   15 N3   55   2.800   3.000    20.00    20.00
N1   50 N3   20   2.800   3.000    20.00    20.00
O6   15 N4   55   2.800   3.000    20.00    20.00
O6   50 N4   20   2.800   3.000    20.00    20.00
1H2  15 O2   55   1.700   1.900    20.00    20.00
1H2  50 O2   20   1.700   1.900    20.00    20.00
H1   15 N3   55   1.700   1.900    20.00    20.00
H1   50 N3   20   1.700   1.900    20.00    20.00
O6   15 1H4  55   1.700   1.900    20.00    20.00
O6   50 1H4  20   1.700   1.900    20.00    20.00
N2   19 O2   51   2.800   3.000    20.00    20.00   G19-C16
N2   54 O2   16   2.800   3.000    20.00    20.00   G19-C16
N1   19 N3   51   2.800   3.000    20.00    20.00
N1   54 N3   16   2.800   3.000    20.00    20.00
O6   19 N4   51   2.800   3.000    20.00    20.00
O6   54 N4   16   2.800   3.000    20.00    20.00
1H2  19 O2   51   1.700   1.900    20.00    20.00
1H2  54 O2   16   1.700   1.900    20.00    20.00
H1   19 N3   51   1.700   1.900    20.00    20.00
H1   54 N3   16   1.700   1.900    20.00    20.00
O6   19 1H4  51   1.700   1.900    20.00    20.00
O6   54 1H4  16   1.700   1.900    20.00    20.00
N2   17 O2   53   2.800   3.000    20.00    20.00   G17-C18
N2   52 O2   18   2.800   3.000    20.00    20.00   G17-C18
N1   17 N3   53   2.800   3.000    20.00    20.00
N1   52 N3   18   2.800   3.000    20.00    20.00
O6   17 N4   53   2.800   3.000    20.00    20.00
O6   52 N4   18   2.800   3.000    20.00    20.00
1H2  17 O2   53   1.700   1.900    20.00    20.00
1H2  52 O2   18   1.700   1.900    20.00    20.00
H1   17 N3   53   1.700   1.900    20.00    20.00
H1   52 N3   18   1.700   1.900    20.00    20.00
O6   17 1H4  53   1.700   1.900    20.00    20.00
O6   52 1H4  18   1.700   1.900    20.00    20.00
#
## non-NOEs
#5-31
H1'   5 H8   66   6.000  50.000    50.00     0.00
H1'  40 H8   31   6.000  50.000    50.00     0.00
#32-31
H1'  32 H8   31   5.000  50.000    50.00     0.00
H1'  67 H8   66   5.000  50.000    50.00     0.00
#30-29
H2'  30 H8   29   5.000  50.000    50.00     0.00
H2'  65 H8   64   5.000  50.000    50.00     0.00
#5-31
H1'   5 H1'  66   6.000  50.000    50.00     0.00
H1'  40 H1'  31   6.000  50.000    50.00     0.00
#5-32
H1'   5 H1'  67   6.000  50.000    50.00     0.00
H1'  40 H1'  32   6.000  50.000    50.00     0.00
#29-31
H1'  29 H8   31   6.000  50.000    50.00     0.00
H1'  64 H8   66   6.000  50.000    50.00     0.00
#14-22
H2   14 H1'  57   4.000  50.000    50.00     0.00
H2   49 H1'  22   4.000  50.000    50.00     0.00
#28-30
H1'  28 H8   30   6.000  50.000    50.00     0.00
H1'  63 H8   65   6.000  50.000    50.00     0.00
#14-22
H2   14 H5   57   4.000  50.000    50.00     0.00
H2   49 H5   22   4.000  50.000    50.00     0.00
H2   14 H6   57   5.000  50.000    50.00     0.00
H2   49 H6   22   5.000  50.000    50.00     0.00
#
H2'  29 H8   31   5.000  50.000    50.00     0.00
H2'  64 H8   66   5.000  50.000    50.00     0.00
#
##
#
#       (2)  Residual dipolar coupling (RDC) restraints
# in a modified MARDIGRAS format
#
#   Tue Jul 12 14:28:47 2005
# RDC restraints compiled from the following sparky files:
# aligned non-decoupled spectrum     : phage
# non-aligned non-decoupled spectrum : isotropic
# Last manual correction based on some re-integrated
# peaks: August 31, 2005
ATOM- i ATOM- j    r_low    r_up    k_low    k_up
C8    1 H8    1    -29.0   -25.0     1.0     1.0
C1'   2 H1'   2    -18.2   -14.2     1.0     1.0
C2    2 H2    2    -26.3   -22.3     1.0     1.0
C8    2 H8    2    -30.8   -26.8     1.0     1.0
C1'   3 H1'   3    -19.1   -15.1     1.0     1.0
C5    3 H5    3    -21.8   -17.8     1.0     1.0
C8    4 H8    4    -37.1   -33.1     1.0     1.0
C2'   6 H2'   6    -28.1   -24.1     1.0     1.0
C5    6 H5    6    -20.0   -16.0     1.0     1.0
C5    7 H5    7    -38.4   -34.4     1.0     1.0
C6    7 H6    7    -20.5   -16.5     1.0     1.0
C5    8 H5    8    -37.1   -33.1     1.0     1.0
C6    8 H6    8    -24.0   -20.0     1.0     1.0
C8    9 H8    9    -28.1   -24.1     1.0     1.0
C3'  10 H3'  10    -16.4   -12.4     1.0     1.0
C1'  11 H1'  11      4.3     8.3     1.0     1.0
C2'  11 H2'  11    -17.8   -13.8     1.0     1.0
C5   11 H5   11    -34.4   -30.4     1.0     1.0
C6   11 H6   11    -22.7   -18.7     1.0     1.0
C1'  12 H1'  12     -1.1     2.9     1.0     1.0
C2'  12 H2'  12    -15.5   -11.5     1.0     1.0
C8   12 H8   12    -36.2   -32.2     1.0     1.0
C1'  13 H1'  13      1.6     5.6     1.0     1.0
C2   13 H2   13    -21.3   -17.3     1.0     1.0
C4'  13 H4'  13    -19.1   -15.1     1.0     1.0
C8   13 H8   13    -17.3   -13.3     1.0     1.0
C1'  14 H1'  14      8.8    12.8     1.0     1.0
C2   14 H2   14    -23.2   -11.8     1.0     1.0
C4'  14 H4'  14    -14.6   -10.6     1.0     1.0
C8   14 H8   14    -14.6   -10.6     1.0     1.0
C8   15 H8   15    -40.4   -36.4     1.0     1.0
#C6   16 H6   16      1.6     5.6     1.0     1.0
C1'  17 H1'  17     -3.8     0.2     1.0     1.0
C8   17 H8   17    -35.3   -31.3     1.0     1.0
C1'  19 H1'  19      3.4     7.4     1.0     1.0
C8   19 H8   19    -31.7   -27.7     1.0     1.0
C1'  21 H1'  21    -13.7    -9.7     1.0     1.0
C2   21 H2   21    -34.4   -30.4     1.0     1.0
#C4'  21 H4'  21     -1.1     2.9     1.0     1.0
C8   21 H8   21    -33.5   -29.5     1.0     1.0
C1'  22 H1'  22     17.8    21.8     1.0     1.0
#C5   22 H5   22    -49.7   -45.7     1.0     1.0
C8   23 H8   23    -37.1   -33.1     1.0     1.0
C1'  24 H1'  24     22.3    26.3     1.0     1.0
C8   24 H8   24    -34.4   -30.4     1.0     1.0
C1'  26 H1'  26      7.9    11.9     1.0     1.0
C2   26 H2   26    -33.5   -29.5     1.0     1.0
C8   26 H8   26    -34.4   -30.4     1.0     1.0
C2   27 H2   27    -33.5   -29.5     1.0     1.0
C8   27 H8   27    -27.2   -23.2     1.0     1.0
C2'  28 H2'  28    -23.6   -19.6     1.0     1.0
#C8   28 H8   28    -15.6   -11.6     1.0     1.0
C1'  29 H1'  29      3.4     7.4     1.0     1.0
C2   29 H2   29    -28.8   -24.8     1.0     1.0
C2'  29 H2'  29     -8.3    -4.3     1.0     1.0
C8   29 H8   29    -18.2   -14.2     1.0     1.0
C1'  30 H1'  30     -0.5     3.5     1.0     1.0
C8   30 H8   30    -34.9   -30.9     1.0     1.0
C1'  31 H1'  31     -7.4    -3.4     1.0     1.0
C1'  32 H1'  32     43.9    47.9     1.0     1.0
C5   32 H5   32      1.6     5.6     1.0     1.0
C8   33 H8   33    -32.6   -28.6     1.0     1.0
C2'  34 H2'  34     -8.3    -4.3     1.0     1.0
C5   34 H5   34     -5.6    -1.6     1.0     1.0
C6   34 H6   34    -29.0   -25.0     1.0     1.0
C1'  35 H1'  35    -10.1    -6.1     1.0     1.0
C2'  35 H2'  35     12.4    16.4     1.0     1.0
C3'  35 H3'  35    -18.2   -14.2     1.0     1.0
C5   35 H5   35    -44.3   -40.3     1.0     1.0
##
C8   36 H8   36    -29.0   -25.0     1.0     1.0
C1'  37 H1'  37    -18.2   -14.2     1.0     1.0
C2   37 H2   37    -26.3   -22.3     1.0     1.0
C8   37 H8   37    -30.8   -26.8     1.0     1.0
C1'  38 H1'  38    -19.1   -15.1     1.0     1.0
C5   38 H5   38    -21.8   -17.8     1.0     1.0
C8   39 H8   39    -37.1   -33.1     1.0     1.0
C2'  41 H2'  41    -28.1   -24.1     1.0     1.0
C5   41 H5   41    -20.0   -16.0     1.0     1.0
C5   42 H5   42    -38.4   -34.4     1.0     1.0
C6   42 H6   42    -20.5   -16.5     1.0     1.0
C5   43 H5   43    -37.1   -33.1     1.0     1.0
C6   43 H6   43    -24.0   -20.0     1.0     1.0
C8   44 H8   44    -28.1   -24.1     1.0     1.0
C3'  45 H3'  45    -16.4   -12.4     1.0     1.0
C1'  46 H1'  46      4.3     8.3     1.0     1.0
C2'  46 H2'  46    -17.8   -13.8     1.0     1.0
C5   46 H5   46    -34.4   -30.4     1.0     1.0
C6   46 H6   46    -22.7   -18.7     1.0     1.0
C1'  47 H1'  47     -1.1     2.9     1.0     1.0
C2'  47 H2'  47    -15.5   -11.5     1.0     1.0
C8   47 H8   47    -36.2   -32.2     1.0     1.0
C1'  48 H1'  48      1.6     5.6     1.0     1.0
C2   48 H2   48    -21.3   -17.3     1.0     1.0
C4'  48 H4'  48    -19.1   -15.1     1.0     1.0
C8   48 H8   48    -17.3   -13.3     1.0     1.0
C1'  49 H1'  49      8.8    12.8     1.0     1.0
C2   49 H2   49    -23.2   -11.8     1.0     1.0
C4'  49 H4'  49    -14.6   -10.6     1.0     1.0
C8   49 H8   49    -14.6   -10.6     1.0     1.0
C8   50 H8   50    -40.4   -36.4     1.0     1.0
#C6   51 H6   51      1.6     5.6     1.0     1.0
C1'  52 H1'  52     -3.8     0.2     1.0     1.0
C8   52 H8   52    -35.3   -31.3     1.0     1.0
C1'  54 H1'  54      3.4     7.4     1.0     1.0
C8   54 H8   54    -31.7   -27.7     1.0     1.0
C1'  56 H1'  56    -13.7    -9.7     1.0     1.0
C2   56 H2   56    -34.4   -30.4     1.0     1.0
#C4'  56 H4'  56     -1.1     2.9     1.0     1.0
C8   56 H8   56    -33.5   -29.5     1.0     1.0
C1'  57 H1'  57     17.8    21.8     1.0     1.0
#C5   57 H5   57    -49.7   -45.7     1.0     1.0
C8   58 H8   58    -37.1   -33.1     1.0     1.0
C1'  59 H1'  59     22.3    26.3     1.0     1.0
C8   59 H8   59    -34.4   -30.4     1.0     1.0
C1'  61 H1'  61      7.9    11.9     1.0     1.0
C2   61 H2   61    -33.5   -29.5     1.0     1.0
C8   61 H8   61    -34.4   -30.4     1.0     1.0
C2   62 H2   62    -33.5   -29.5     1.0     1.0
C8   62 H8   62    -27.2   -23.2     1.0     1.0
C2'  63 H2'  63    -23.6   -19.6     1.0     1.0
#C8   63 H8   63    -15.6   -11.6     1.0     1.0
C1'  64 H1'  64      3.4     7.4     1.0     1.0
C2   64 H2   64    -28.8   -24.8     1.0     1.0
C2'  64 H2'  64     -8.3    -4.3     1.0     1.0
C8   64 H8   64    -18.2   -14.2     1.0     1.0
C1'  65 H1'  65     -0.5     3.5     1.0     1.0
C8   65 H8   65    -34.9   -30.9     1.0     1.0
C1'  66 H1'  66     -7.4    -3.4     1.0     1.0
C1'  67 H1'  67     43.9    47.9     1.0     1.0
C5   67 H5   67      1.6     5.6     1.0     1.0
C8   68 H8   68    -32.6   -28.6     1.0     1.0
C2'  69 H2'  69     -8.3    -4.3     1.0     1.0
C5   69 H5   69     -5.6    -1.6     1.0     1.0
C6   69 H6   69    -29.0   -25.0     1.0     1.0
C1'  70 H1'  70    -10.1    -6.1     1.0     1.0
C2'  70 H2'  70     12.4    16.4     1.0     1.0
C3'  70 H3'  70    -18.2   -14.2     1.0     1.0
C5   70 H5   70    -44.3   -40.3     1.0     1.0
#
#
##
#
#       (3)  Integrated intensities of NOE cross-peaks in D2O 2D NOESY datasets
#
# NOE cross-peaks were integrated with SPARKY with a Gaussian
# line-fitting. Relative integration
# error was determined by comparing the below- and above-the-diagonal
# intensities, but in no case it was set below 20%. The intensities
# below are not normalized.
#
# (3A) 15-ms dataset 600 MHz
#
HEADER prepared from 15.mardilist by mardi.in   Fri Dec 16 18:20:13 2005
MIXING TIME: 0.015
ATOM1   ATOM2   INTENSITY   ERROR    Note    
1H2'  1 H1'   1   2.392e+06   20.0
1H2'  1 H8    1   1.486e+06   20.0
1H2'  1 H8    2   1.962e+06   20.0
H3'   1 H8    2   9.788e+05   20.0
1H2'  2 H1'   2   2.612e+06   20.0
1H2'  2 H8    2   2.689e+05   20.0
1H2'  2 H6    3   1.575e+06   20.0
H1'   3 H2    2   8.978e+05   20.0
1H2'  4 H1'   4   1.381e+06   20.0
1H2'  4 H8    5   1.352e+06   20.0
1H2'  5 H1'   5   9.919e+05   20.0
H1'   5 H8    5   4.838e+05   20.0
1H2'  5 H6    6   1.390e+06   20.0
1H2'  6 H1'   6   1.820e+06   20.0
H5    6 H6    6   2.694e+06   20.0
1H2'  6 H5    7   4.664e+05   20.0
1H2'  6 H6    7   2.366e+06   20.0
H1'   6 H2   64   3.261e+05   20.0 Pk1: inter Pk2: inter
H5    7 H6    7   2.602e+06   20.0
1H2'  7 H6    8   2.987e+06   20.0
1H2'  8 H1'   8   2.076e+06   20.0
1H2'  8 H8    9   2.825e+06   20.0
H1'   8 H2   62   4.981e+05   20.0 Pk1: inter Pk2: inter
1H2'  9 H1'   9   2.325e+06   20.0
1H2'  9 H6   10   4.846e+06   20.0
H1'   9 H2   61   6.317e+05   20.0 Pk1: inter Pk2: inter
1H2' 10 H1'  10   2.424e+06   20.0
H3'  10 H1'  10   3.307e+05   20.0
H3'  10 H6   10   1.357e+06   20.0
1H2' 10 H6   11   1.693e+06   20.0
1H2' 11 H1'  11   2.470e+06   20.0
1H2' 11 H8   12   2.798e+06   20.0
1H2' 12 H1'  12   2.541e+06   20.0
1H2' 12 H8   12   1.222e+06   20.0
H3'  12 H8   12   6.139e+05   20.0
H4'  12 H1'  12   9.561e+05   20.0
1H2' 12 H8   13   1.383e+06   20.0
H3'  12 H8   13   3.263e+05   20.0
1H2' 13 H8   13   1.111e+06   20.0
H1'  13 H2   13   2.084e+05   20.0
H1'  13 H8   13   3.420e+05   20.0
H3'  13 H1'  13   1.844e+05   20.0
H3'  13 H8   13   8.840e+05   20.0
H4'  13 H1'  13   3.371e+05   20.0
1H2' 13 H8   14   4.965e+05   20.0
H2   13 H1'  14   3.892e+05   20.0
1H2' 14 H1'  14   2.139e+06   20.0
1H2' 14 H8   14   2.372e+06   20.0
2H5' 14 H8   14   2.072e+05   20.0
H1'  14 H8   14   4.038e+05   20.0
H3'  14 H1'  14   2.127e+05   20.0
H4'  14 H1'  14   6.633e+05   20.0
1H2' 14 H8   15   8.932e+05   20.0
H1'  14 H8   15   2.467e+05   20.0
H1'  15 H2   14   2.728e+05   20.0
1H2' 15 H1'  15   2.105e+06   20.0
H1'  15 H8   15   2.648e+05   22.3
1H2' 15 H6   16   2.337e+06   20.0
H1'  15 H2   56   4.029e+05   20.0 Pk1: inter Pk2: inter
1H2' 16 H1'  16   2.213e+06   20.0
H5   16 H6   16   2.646e+06   20.0
1H2' 16 H8   17   6.582e+06   20.0
H1'  17 H8   17   4.726e+05   20.0
1H2' 17 H6   18   5.034e+06   20.0
H1'  18 H6   18   2.607e+05   20.0
H5   18 H6   18   2.467e+06   20.0
H1'  19 H8   19   1.306e+05   20.0
1H2' 20 H1'  20   2.282e+06   20.0
H5   20 H6   20   2.373e+06   20.0
1H2' 20 H8   21   2.375e+06   20.0
H1'  21 H8   21   2.784e+05   20.0
H4'  21 H1'  21   3.015e+05   20.0
H2   21 H1'  22   8.415e+05   20.0
1H2' 22 H1'  22   2.297e+06   20.0
1H2' 22 H1'  23   3.154e+05   20.0
1H2' 23 H1'  23   1.694e+06   20.0
H1'  23 H8   23   2.251e+05   28.2
1H2' 23 H8   24   2.735e+06   20.0
H1'  24 H8   24   2.345e+05   20.0
1H2' 24 H6   25   4.843e+06   20.0
H5   25 H6   25   2.469e+06   20.0
1H2' 25 H8   26   3.842e+06   20.0
1H2' 26 H1'  26   2.194e+06   20.0
H3'  26 H1'  26   3.800e+05   20.0
H8   26 H1'  26   4.589e+05   20.0
1H2' 26 H8   27   2.632e+06   20.0
H1'  26 H8   27   1.512e+05   20.0
H2   26 H1'  27   6.512e+05   20.0
H3'  26 H8   27   3.728e+05   20.0
1H2' 27 H1'  27   2.193e+06   20.0
H1'  27 H8   27   3.279e+05   20.0
1H2' 27 H8   28   2.198e+06   20.0
H2   27 H1'  28   7.978e+05   20.0
1H2' 28 H1'  28   1.945e+06   20.0
1H2' 28 H8   29   2.161e+06   20.0
1H2' 29 H1'  29   2.304e+06   20.0
H1'  29 H8   29   2.591e+05   20.0
H2   29 H1'  30   2.747e+05   20.0
1H2' 30 H1'  30   1.704e+06   20.0
1H2' 30 H8   30   5.326e+05   20.0
H1'  31 H8   31   9.597e+05   20.0
1H2' 31 H6   32   5.969e+05   20.0
H3'  31 H6   32   3.286e+05   20.0
1H2' 32 H1'  32   1.859e+06   20.0
1H2' 32 H8   33   5.474e+06   20.0
1H2' 33 H1'  33   1.544e+06   20.0
1H2' 33 H6   34   3.583e+06   20.0
1H2' 34 H1'  34   2.388e+06   20.0
H5   34 H6   34   2.485e+06   20.0
1H2' 34 H6   35   2.745e+06   20.0
H5   34 H5   35   2.518e+05   20.0
1H2' 35 H1'  35   2.449e+06   20.0
H3'  35 H1'  35   2.462e+05   20.0
H6   35 H5   35   2.103e+06   20.0
H1'  35 H2   37   4.099e+05   20.0 inter
1H2' 36 H1'  36   2.392e+06   20.0
1H2' 36 H8   36   1.486e+06   20.0
1H2' 36 H8   37   1.962e+06   20.0
H3'  36 H8   37   9.788e+05   20.0
1H2' 37 H1'  37   2.612e+06   20.0
1H2' 37 H8   37   2.689e+05   20.0
1H2' 37 H6   38   1.575e+06   20.0
H1'  38 H2   37   8.978e+05   20.0
1H2' 39 H1'  39   1.381e+06   20.0
1H2' 39 H8   40   1.352e+06   20.0
1H2' 40 H1'  40   9.919e+05   20.0
H1'  40 H8   40   4.838e+05   20.0
1H2' 40 H6   41   1.390e+06   20.0
H1'  41 H2   29   3.261e+05   20.0 Pk1: inter Pk2: inter
1H2' 41 H1'  41   1.820e+06   20.0
H5   41 H6   41   2.694e+06   20.0
1H2' 41 H5   42   4.664e+05   20.0
1H2' 41 H6   42   2.366e+06   20.0
H5   42 H6   42   2.602e+06   20.0
1H2' 42 H6   43   2.987e+06   20.0
H1'  43 H2   27   4.981e+05   20.0 Pk1: inter Pk2: inter
1H2' 43 H1'  43   2.076e+06   20.0
1H2' 43 H8   44   2.825e+06   20.0
H1'  44 H2   26   6.317e+05   20.0 Pk1: inter Pk2: inter
1H2' 44 H1'  44   2.325e+06   20.0
1H2' 44 H6   45   4.846e+06   20.0
1H2' 45 H1'  45   2.424e+06   20.0
H3'  45 H1'  45   3.307e+05   20.0
H3'  45 H6   45   1.357e+06   20.0
1H2' 45 H6   46   1.693e+06   20.0
1H2' 46 H1'  46   2.470e+06   20.0
1H2' 46 H8   47   2.798e+06   20.0
1H2' 47 H1'  47   2.541e+06   20.0
1H2' 47 H8   47   1.222e+06   20.0
H3'  47 H8   47   6.139e+05   20.0
H4'  47 H1'  47   9.561e+05   20.0
1H2' 47 H8   48   1.383e+06   20.0
H3'  47 H8   48   3.263e+05   20.0
1H2' 48 H8   48   1.111e+06   20.0
H1'  48 H2   48   2.084e+05   20.0
H1'  48 H8   48   3.420e+05   20.0
H3'  48 H1'  48   1.844e+05   20.0
H3'  48 H8   48   8.840e+05   20.0
H4'  48 H1'  48   3.371e+05   20.0
1H2' 48 H8   49   4.965e+05   20.0
H2   48 H1'  49   3.892e+05   20.0
1H2' 49 H1'  49   2.139e+06   20.0
1H2' 49 H8   49   2.372e+06   20.0
2H5' 49 H8   49   2.072e+05   20.0
H1'  49 H8   49   4.038e+05   20.0
H3'  49 H1'  49   2.127e+05   20.0
H4'  49 H1'  49   6.633e+05   20.0
1H2' 49 H8   50   8.932e+05   20.0
H1'  49 H8   50   2.467e+05   20.0
H1'  50 H2   21   4.029e+05   20.0 Pk1: inter Pk2: inter
H1'  50 H2   49   2.728e+05   20.0
1H2' 50 H1'  50   2.105e+06   20.0
H1'  50 H8   50   2.648e+05   22.3
1H2' 50 H6   51   2.337e+06   20.0
1H2' 51 H1'  51   2.213e+06   20.0
H5   51 H6   51   2.646e+06   20.0
1H2' 51 H8   52   6.582e+06   20.0
H1'  52 H8   52   4.726e+05   20.0
1H2' 52 H6   53   5.034e+06   20.0
H1'  53 H6   53   2.607e+05   20.0
H5   53 H6   53   2.467e+06   20.0
H1'  54 H8   54   1.306e+05   20.0
1H2' 55 H1'  55   2.282e+06   20.0
H5   55 H6   55   2.373e+06   20.0
1H2' 55 H8   56   2.375e+06   20.0
H1'  56 H8   56   2.784e+05   20.0
H4'  56 H1'  56   3.015e+05   20.0
H2   56 H1'  57   8.415e+05   20.0
1H2' 57 H1'  57   2.297e+06   20.0
1H2' 57 H1'  58   3.154e+05   20.0
1H2' 58 H1'  58   1.694e+06   20.0
H1'  58 H8   58   2.251e+05   28.2
1H2' 58 H8   59   2.735e+06   20.0
H1'  59 H8   59   2.345e+05   20.0
1H2' 59 H6   60   4.843e+06   20.0
H5   60 H6   60   2.469e+06   20.0
1H2' 60 H8   61   3.842e+06   20.0
1H2' 61 H1'  61   2.194e+06   20.0
H3'  61 H1'  61   3.800e+05   20.0
H8   61 H1'  61   4.589e+05   20.0
1H2' 61 H8   62   2.632e+06   20.0
H1'  61 H8   62   1.512e+05   20.0
H2   61 H1'  62   6.512e+05   20.0
H3'  61 H8   62   3.728e+05   20.0
1H2' 62 H1'  62   2.193e+06   20.0
H1'  62 H8   62   3.279e+05   20.0
1H2' 62 H8   63   2.198e+06   20.0
H2   62 H1'  63   7.978e+05   20.0
1H2' 63 H1'  63   1.945e+06   20.0
1H2' 63 H8   64   2.161e+06   20.0
1H2' 64 H1'  64   2.304e+06   20.0
H1'  64 H8   64   2.591e+05   20.0
H2   64 H1'  65   2.747e+05   20.0
1H2' 65 H1'  65   1.704e+06   20.0
1H2' 65 H8   65   5.326e+05   20.0
H1'  66 H8   66   9.597e+05   20.0
1H2' 66 H6   67   5.969e+05   20.0
H3'  66 H6   67   3.286e+05   20.0
1H2' 67 H1'  67   1.859e+06   20.0
1H2' 67 H8   68   5.474e+06   20.0
1H2' 68 H1'  68   1.544e+06   20.0
1H2' 68 H6   69   3.583e+06   20.0
1H2' 69 H1'  69   2.388e+06   20.0
H5   69 H6   69   2.485e+06   20.0
1H2' 69 H6   70   2.745e+06   20.0
H5   69 H5   70   2.518e+05   20.0
H1'  70 H2    2   4.099e+05   20.0 inter
1H2' 70 H1'  70   2.449e+06   20.0
H3'  70 H1'  70   2.462e+05   20.0
H6   70 H5   70   2.103e+06   20.0
#
#       (3B) 50-ms dataset 600 MHz
#
HEADER prepared from 50.mardilist by mardi.in   Fri Dec 16 18:20:51 2005
MIXING TIME: 0.05
ATOM1   ATOM2   INTENSITY   ERROR    Note    
1H2'  1 H1'   1   4.714e+06   20.0
1H2'  1 H8    1   2.885e+06   20.0
H1'   1 H8    1   9.612e+05   20.0
H3'   1 H1'   1   1.851e+06   20.0
H3'   1 H8    1   2.036e+06   20.0
1H2'  1 H8    2   4.168e+06   20.0
H1'   1 H8    2   1.941e+06   20.0
H3'   1 H8    2   2.223e+06   20.0
1H2'  2 H1'   2   3.845e+06   20.0
1H2'  2 H8    2   6.531e+05   20.0
H1'   2 H8    2   8.489e+05   20.0
H2    2 H1'   2   2.818e+05   20.0
1H2'  2 H6    3   6.865e+06   20.0
H1'   2 H6    3   9.486e+05   20.0
H2    2 H1'  70   1.043e+06   20.0 Pk1: inter Pk2: inter
H5    3 H1'   2   4.099e+05   20.0
H5    3 H8    2   6.978e+05   20.0
H5    3 H6    3   5.025e+06   20.0
H1'   4 H8    4   6.792e+05   20.0
1H2'  4 H8    5   2.268e+06   20.0
H1'   4 H8    5   1.991e+05   20.0
H1'   5 H8    5   1.265e+06   20.0
H1'   5 H6    6   4.441e+05   20.0
H1'   6 1H2'  6   3.256e+06   20.0
H5    6 H6    6   4.825e+06   20.0
1H2'  6 H5    7   1.328e+06   20.0
H1'   6 H2   64   9.004e+05   20.0 Pk1: inter Pk2: inter
H5    7 H5    6   8.850e+05   20.0
H5    7 H6    6   3.548e+05   20.0
H5    7 H6    7   4.616e+06   20.0
H1'   8 H6    8   7.609e+05   20.0
H1'   8 H2   62   1.357e+06   20.0 Pk1: inter Pk2: inter
H5    8 H2   62   2.495e+05   20.0 inter
H1'   9 H8    9   6.327e+05   20.0
H1'   9 H5   10   1.903e+05   20.0
H1'   9 H6   10   9.080e+05   20.0
H1'   9 H2   61   1.372e+06   20.0 Pk1: inter Pk2: inter
H3'  10 H1'  10   1.497e+06   20.0
H3'  10 H5   10   5.601e+05   20.0
H3'  10 H6   10   3.465e+06   20.0
H6   10 H1'  10   7.575e+05   20.0
H1'  10 H6   11   8.514e+05   20.0
H3'  10 H6   11   2.265e+06   20.0
H5   10 H5   11   1.198e+06   20.0
H6   10 H5   11   6.168e+05   45.3
1H2' 11 H6   11   6.295e+05   20.0
H1'  11 1H2' 11   5.315e+06   20.0
H1'  11 H6   11   1.213e+06   20.0
H5   11 H6   11   5.686e+06   20.0
1H2' 11 H8   12   5.270e+06   20.0
H1'  11 H8   12   1.390e+06   20.0
1H2' 12 H8   12   3.087e+06   20.0
H1'  12 1H2' 12   5.192e+06   20.0
H1'  12 H8   12   1.453e+06   20.0
H3'  12 H8   12   1.575e+06   20.0
H4'  12 H1'  12   2.602e+06   20.0
H4'  12 H8   12   5.565e+05   20.0
1H2' 12 H8   13   3.136e+06   20.0
H1'  12 H8   13   5.492e+05   20.0
H3'  12 H8   13   1.272e+06   20.0
1H2' 13 H1'  13   5.041e+06   20.0
1H2' 13 H8   13   2.761e+06   20.0
1H5' 13 H8   13   3.206e+05   20.0
2H5' 13 H8   13   3.390e+05   20.0
H1'  13 H2   13   2.996e+05   21.1
H1'  13 H8   13   1.300e+06   20.0
H3'  13 H8   13   2.792e+06   20.0
H4'  13 H1'  13   2.154e+06   20.0
H4'  13 H8   13   2.301e+05   20.0
1H2' 13 H1'  14   3.536e+05   20.0
1H2' 13 H8   14   1.662e+06   20.0
H1'  13 H2   14   1.623e+05   20.0
H1'  13 H8   14   3.826e+05   20.0
H2   13 H1'  14   7.977e+05   20.0
H4'  13 H8   14   1.513e+05   20.0
H2   13 H2   56   4.049e+05   20.0 Pk1: inter Pk2: inter
1H2' 14 H1'  14   4.022e+06   20.0
1H2' 14 H8   14   3.186e+06   20.0
1H5' 14 H8   14   4.822e+05   21.6
2H5' 14 H8   14   6.067e+05   23.6
H1'  14 H2   14   2.706e+05   20.0
H1'  14 H8   14   1.420e+06   20.0
H3'  14 H1'  14   1.560e+06   20.0
H4'  14 H1'  14   3.082e+06   20.0
H4'  14 H8   14   2.042e+05   20.0
H1'  14 H8   15   4.831e+05   20.0
H2   14 H1'  15   8.908e+05   20.0
H2   14 H8   15   1.877e+05   20.0
H8   14 H8   15   1.822e+05   34.0
H2   14 H2   56   4.788e+05   20.0 inter
H1'  15 H8   15   9.912e+05   20.0
1H2' 15 H1'  16   7.241e+05   20.0
H1'  15 H5   16   5.591e+05   20.0
H1'  15 H6   16   6.823e+05   20.0
H1'  15 H2   56   1.718e+06   20.0 Pk1: inter Pk2: inter
H1'  16 H6   16   9.338e+05   22.8
H5   16 H6   16   5.559e+06   20.0
H1'  16 H8   17   1.153e+06   20.0
H1'  17 H8   17   9.681e+05   29.6
H1'  17 H6   18   1.025e+06   20.0
H1'  18 H6   18   1.062e+06   20.0
H5   18 H6   18   4.826e+06   20.0
H1'  18 H8   19   1.690e+06   20.0
H1'  19 H8   19   8.617e+05   20.0
H1'  19 H1'  20   2.063e+05   20.0
H1'  19 H6   20   1.067e+06   30.6
H1'  20 H6   20   1.057e+06   20.0
H6   20 H5   20   4.935e+06   20.0
H1'  20 H8   21   1.016e+06   20.0
H1'  21 H8   21   8.867e+05   20.0
H1'  21 H6   22   8.040e+05   20.0
H2   21 H1'  22   2.395e+06   20.0
H8   21 H5   22   4.934e+05   20.0
H1'  22 1H2' 22   5.365e+06   20.0
H1'  22 H2   48   2.056e+05   20.0 inter
1H2' 23 H1'  23   4.763e+06   20.0
1H2' 23 H8   23   5.636e+05   20.0
H1'  23 H8   23   8.761e+05   20.0
1H2' 23 H8   24   4.656e+06   20.0
H1'  23 H8   24   8.154e+05   20.0
H8   23 H8   24   2.053e+05   20.0
H1'  24 H8   24   6.766e+05   20.0
H1'  24 H5   25   4.283e+05   30.0
H1'  24 H6   25   1.064e+06   20.0
H8   24 H5   25   3.048e+05   20.0
H6   25 H8   24   3.003e+05   20.0
H1'  25 H6   25   8.900e+05   20.0
H5   25 H6   25   4.942e+06   20.0
H8   26 H6   25   1.981e+05   20.0
1H2' 26 H1'  26   4.502e+06   20.0
H1'  26 H2   26   2.964e+05   20.0
H4'  26 H1'  26   2.060e+06   20.0
H1'  26 H8   27   7.428e+05   20.0
H2   26 H1'  27   1.823e+06   20.0
H2   26 H2   27   4.072e+05   20.0
H3'  26 H8   27   1.638e+06   20.0
H8   26 H8   27   3.434e+05   20.0
H1'  27 H2   27   3.251e+05   20.0
H1'  27 H8   27   6.758e+05   20.0
1H2' 27 H8   28   6.588e+06   20.0
H1'  27 H8   28   5.174e+05   20.0
H2   27 H1'  28   2.213e+06   20.0
H2   27 H8   28   3.168e+05   20.0
1H2' 28 H8   28   3.586e+05   20.0
H1'  28 1H2' 28   4.097e+06   20.0
H1'  28 H8   28   8.120e+05   20.7
1H2' 28 H1'  29   7.014e+05   20.0
1H2' 28 H8   29   6.084e+06   20.0
H8   29 H8   28   1.766e+05   20.0
H1'  29 H8   29   8.992e+05   20.0
H3'  29 H1'  29   1.425e+06   20.0
H2   29 H1'  30   1.119e+06   20.0
H1'  30 H8   30   2.537e+06   23.2
1H2' 31 H1'  31   4.444e+06   20.0
H1'  31 H5   32   1.028e+06   20.0
H1'  31 H6   32   6.630e+05   20.0
1H2' 33 H1'  33   3.999e+06   20.0
H1'  33 H8   33   8.765e+05   20.0
H3'  33 H1'  33   1.556e+06   20.0
H1'  33 H6   34   1.173e+06   22.8
H1'  34 1H2' 34   4.460e+06   20.0
H5   34 H6   34   4.335e+06   20.0
1H2' 34 H1'  35   6.121e+05   20.0
1H2' 34 H5   35   1.346e+06   20.0
1H2' 34 H6   35   6.180e+06   20.0
H5   34 H5   35   7.377e+05   20.0
1H2' 35 H5   35   8.167e+05   20.0
1H2' 35 H6   35   2.102e+06   20.0
H1'  35 1H2' 35   5.186e+06   20.0
H1'  35 H6   35   1.026e+06   20.0
H5   35 H6   35   5.430e+06   20.0
1H2' 36 H1'  36   4.714e+06   20.0
1H2' 36 H8   36   2.885e+06   20.0
H1'  36 H8   36   9.612e+05   20.0
H3'  36 H1'  36   1.851e+06   20.0
H3'  36 H8   36   2.036e+06   20.0
1H2' 36 H8   37   4.168e+06   20.0
H1'  36 H8   37   1.941e+06   20.0
H3'  36 H8   37   2.223e+06   20.0
H2   37 H1'  35   1.043e+06   20.0 Pk1: inter Pk2: inter
1H2' 37 H1'  37   3.845e+06   20.0
1H2' 37 H8   37   6.531e+05   20.0
H1'  37 H8   37   8.489e+05   20.0
H2   37 H1'  37   2.818e+05   20.0
1H2' 37 H6   38   6.865e+06   20.0
H1'  37 H6   38   9.486e+05   20.0
H5   38 H1'  37   4.099e+05   20.0
H5   38 H8   37   6.978e+05   20.0
H5   38 H6   38   5.025e+06   20.0
H1'  39 H8   39   6.792e+05   20.0
1H2' 39 H8   40   2.268e+06   20.0
H1'  39 H8   40   1.991e+05   20.0
H1'  40 H8   40   1.265e+06   20.0
H1'  40 H6   41   4.441e+05   20.0
H1'  41 H2   29   9.004e+05   20.0 Pk1: inter Pk2: inter
H1'  41 1H2' 41   3.256e+06   20.0
H5   41 H6   41   4.825e+06   20.0
1H2' 41 H5   42   1.328e+06   20.0
H5   42 H5   41   8.850e+05   20.0
H5   42 H6   41   3.548e+05   20.0
H5   42 H6   42   4.616e+06   20.0
H1'  43 H2   27   1.357e+06   20.0 Pk1: inter Pk2: inter
H5   43 H2   27   2.495e+05   20.0 inter
H1'  43 H6   43   7.609e+05   20.0
H1'  44 H2   26   1.372e+06   20.0 Pk1: inter Pk2: inter
H1'  44 H8   44   6.327e+05   20.0
H1'  44 H5   45   1.903e+05   20.0
H1'  44 H6   45   9.080e+05   20.0
H3'  45 H1'  45   1.497e+06   20.0
H3'  45 H5   45   5.601e+05   20.0
H3'  45 H6   45   3.465e+06   20.0
H6   45 H1'  45   7.575e+05   20.0
H1'  45 H6   46   8.514e+05   20.0
H3'  45 H6   46   2.265e+06   20.0
H5   45 H5   46   1.198e+06   20.0
H6   45 H5   46   6.168e+05   45.3
1H2' 46 H6   46   6.295e+05   20.0
H1'  46 1H2' 46   5.315e+06   20.0
H1'  46 H6   46   1.213e+06   20.0
H5   46 H6   46   5.686e+06   20.0
1H2' 46 H8   47   5.270e+06   20.0
H1'  46 H8   47   1.390e+06   20.0
1H2' 47 H8   47   3.087e+06   20.0
H1'  47 1H2' 47   5.192e+06   20.0
H1'  47 H8   47   1.453e+06   20.0
H3'  47 H8   47   1.575e+06   20.0
H4'  47 H1'  47   2.602e+06   20.0
H4'  47 H8   47   5.565e+05   20.0
1H2' 47 H8   48   3.136e+06   20.0
H1'  47 H8   48   5.492e+05   20.0
H3'  47 H8   48   1.272e+06   20.0
H2   48 H2   21   4.049e+05   20.0 Pk1: inter Pk2: inter
1H2' 48 H1'  48   5.041e+06   20.0
1H2' 48 H8   48   2.761e+06   20.0
1H5' 48 H8   48   3.206e+05   20.0
2H5' 48 H8   48   3.390e+05   20.0
H1'  48 H2   48   2.996e+05   21.1
H1'  48 H8   48   1.300e+06   20.0
H3'  48 H8   48   2.792e+06   20.0
H4'  48 H1'  48   2.154e+06   20.0
H4'  48 H8   48   2.301e+05   20.0
1H2' 48 H1'  49   3.536e+05   20.0
1H2' 48 H8   49   1.662e+06   20.0
H1'  48 H2   49   1.623e+05   20.0
H1'  48 H8   49   3.826e+05   20.0
H2   48 H1'  49   7.977e+05   20.0
H4'  48 H8   49   1.513e+05   20.0
H2   49 H2   21   4.788e+05   20.0 inter
1H2' 49 H1'  49   4.022e+06   20.0
1H2' 49 H8   49   3.186e+06   20.0
1H5' 49 H8   49   4.822e+05   21.6
2H5' 49 H8   49   6.067e+05   23.6
H1'  49 H2   49   2.706e+05   20.0
H1'  49 H8   49   1.420e+06   20.0
H3'  49 H1'  49   1.560e+06   20.0
H4'  49 H1'  49   3.082e+06   20.0
H4'  49 H8   49   2.042e+05   20.0
H1'  49 H8   50   4.831e+05   20.0
H2   49 H1'  50   8.908e+05   20.0
H2   49 H8   50   1.877e+05   20.0
H8   49 H8   50   1.822e+05   34.0
H1'  50 H2   21   1.718e+06   20.0 Pk1: inter Pk2: inter
H1'  50 H8   50   9.912e+05   20.0
1H2' 50 H1'  51   7.241e+05   20.0
H1'  50 H5   51   5.591e+05   20.0
H1'  50 H6   51   6.823e+05   20.0
H1'  51 H6   51   9.338e+05   22.8
H5   51 H6   51   5.559e+06   20.0
H1'  51 H8   52   1.153e+06   20.0
H1'  52 H8   52   9.681e+05   29.6
H1'  52 H6   53   1.025e+06   20.0
H1'  53 H6   53   1.062e+06   20.0
H5   53 H6   53   4.826e+06   20.0
H1'  53 H8   54   1.690e+06   20.0
H1'  54 H8   54   8.617e+05   20.0
H1'  54 H1'  55   2.063e+05   20.0
H1'  54 H6   55   1.067e+06   30.6
H1'  55 H6   55   1.057e+06   20.0
H6   55 H5   55   4.935e+06   20.0
H1'  55 H8   56   1.016e+06   20.0
H1'  56 H8   56   8.867e+05   20.0
H1'  56 H6   57   8.040e+05   20.0
H2   56 H1'  57   2.395e+06   20.0
H8   56 H5   57   4.934e+05   20.0
H1'  57 H2   13   2.056e+05   20.0 inter
H1'  57 1H2' 57   5.365e+06   20.0
1H2' 58 H1'  58   4.763e+06   20.0
1H2' 58 H8   58   5.636e+05   20.0
H1'  58 H8   58   8.761e+05   20.0
1H2' 58 H8   59   4.656e+06   20.0
H1'  58 H8   59   8.154e+05   20.0
H8   58 H8   59   2.053e+05   20.0
H1'  59 H8   59   6.766e+05   20.0
H1'  59 H5   60   4.283e+05   30.0
H1'  59 H6   60   1.064e+06   20.0
H8   59 H5   60   3.048e+05   20.0
H6   60 H8   59   3.003e+05   20.0
H1'  60 H6   60   8.900e+05   20.0
H5   60 H6   60   4.942e+06   20.0
H8   61 H6   60   1.981e+05   20.0
1H2' 61 H1'  61   4.502e+06   20.0
H1'  61 H2   61   2.964e+05   20.0
H4'  61 H1'  61   2.060e+06   20.0
H1'  61 H8   62   7.428e+05   20.0
H2   61 H1'  62   1.823e+06   20.0
H2   61 H2   62   4.072e+05   20.0
H3'  61 H8   62   1.638e+06   20.0
H8   61 H8   62   3.434e+05   20.0
H1'  62 H2   62   3.251e+05   20.0
H1'  62 H8   62   6.758e+05   20.0
1H2' 62 H8   63   6.588e+06   20.0
H1'  62 H8   63   5.174e+05   20.0
H2   62 H1'  63   2.213e+06   20.0
H2   62 H8   63   3.168e+05   20.0
1H2' 63 H8   63   3.586e+05   20.0
H1'  63 1H2' 63   4.097e+06   20.0
H1'  63 H8   63   8.120e+05   20.7
1H2' 63 H1'  64   7.014e+05   20.0
1H2' 63 H8   64   6.084e+06   20.0
H8   64 H8   63   1.766e+05   20.0
H1'  64 H8   64   8.992e+05   20.0
H3'  64 H1'  64   1.425e+06   20.0
H2   64 H1'  65   1.119e+06   20.0
H1'  65 H8   65   2.537e+06   23.2
1H2' 66 H1'  66   4.444e+06   20.0
H1'  66 H5   67   1.028e+06   20.0
H1'  66 H6   67   6.630e+05   20.0
1H2' 68 H1'  68   3.999e+06   20.0
H1'  68 H8   68   8.765e+05   20.0
H3'  68 H1'  68   1.556e+06   20.0
H1'  68 H6   69   1.173e+06   22.8
H1'  69 1H2' 69   4.460e+06   20.0
H5   69 H6   69   4.335e+06   20.0
1H2' 69 H1'  70   6.121e+05   20.0
1H2' 69 H5   70   1.346e+06   20.0
1H2' 69 H6   70   6.180e+06   20.0
H5   69 H5   70   7.377e+05   20.0
1H2' 70 H5   70   8.167e+05   20.0
1H2' 70 H6   70   2.102e+06   20.0
H1'  70 1H2' 70   5.186e+06   20.0
H1'  70 H6   70   1.026e+06   20.0
H5   70 H6   70   5.430e+06   20.0
#
#       (3C) 75-ms dataset 900 MHz
#
HEADER prepared from 75.mardilist by mardi.in   Fri Dec 16 18:21:55 2005
MIXING TIME: 0.075
ATOM1   ATOM2   INTENSITY   ERROR    Note    
1H2'  1 H8    1   6.441e+07   20.0
H1'   1 1H2'  1   1.176e+08   20.0
H8    1 H1'   1   3.033e+07   20.0
1H2'  1 H8    2   1.508e+08   20.0
H1'   1 H8    2   5.344e+07   20.0
H1'   2 H1'   1   1.618e+07   20.0
1H2'  2 H8    2   7.098e+07   20.0
H1'   2 1H2'  2   1.324e+08   22.4
H1'   2 H8    2   3.015e+07   20.0
H2    2 H1'   3   7.003e+07   21.3
H2    2 H1'  70   3.682e+07   28.1 Pk1: inter Pk2: inter
H5    3 H8    2   9.537e+06   20.0
H6    3 H1'   2   3.418e+07   20.0
H1'   3 H6    3   2.647e+07   20.0
H5    3 H6    3   1.230e+08   20.0
1H2'  4 H1'   4   9.181e+07   20.0
H1'   4 H8    4   1.431e+07   20.0
1H2'  4 H8    5   6.755e+07   20.0
H1'   5 H8    5   3.566e+07   20.0
H1'   5 H6    6   7.764e+06   30.8
H1'   6 1H2'  6   7.673e+07   20.0
H5    6 H6    6   1.201e+08   20.0
1H2'  6 H5    7   3.751e+07   20.0
1H2'  6 H6    7   1.041e+08   20.0
H6    6 H5    7   1.258e+07   39.3
H1'   6 H2   64   2.495e+07   20.0 Pk1: inter Pk2: inter
H5    7 H6    7   1.378e+08   20.0
1H2'  7 H5    8   3.913e+07   20.0
H1'   7 H6    8   3.944e+07   30.6
H5    7 H5    8   1.763e+07   20.0
H5    8 H6    7   1.361e+07   20.0
H1'   8 1H2'  8   1.499e+08   20.0
H1'   8 H6    8   2.420e+07   20.0
1H2'  8 H8    9   1.639e+08   20.0
H1'   8 H2   62   3.936e+07   20.0 Pk1: inter Pk2: inter
H8    9 H6    8   1.644e+07   20.0
H1'   9 1H2'  9   1.420e+08   20.0
H1'   9 H8    9   1.629e+07   20.0
H1'   9 H6   10   3.406e+07   20.0
H1'   9 H2   61   3.110e+07   20.0 Pk1: inter Pk2: inter
H1'  10 1H2' 10   1.314e+08   20.0
H3'  10 H1'  10   4.729e+07   20.0
H3'  10 H5   10   1.966e+07   20.0
H3'  10 H6   10   7.027e+07   20.0
H6   10 H1'  10   2.605e+07   20.0
1H2' 10 H6   11   1.156e+08   20.0
H1'  10 H5   11   1.067e+07   20.0
H1'  10 H6   11   2.749e+07   20.0
H5   10 H5   11   3.926e+07   20.0
H6   10 H5   11   1.991e+07   45.9
H1'  11 1H2' 11   1.450e+08   20.0
H1'  11 H6   11   2.785e+07   20.0
H5   11 H6   11   1.883e+08   20.0
1H2' 11 H8   12   1.550e+08   20.0
H1'  11 H8   12   3.650e+07   20.0
1H2' 12 H8   12   8.314e+07   20.0
H1'  12 1H2' 12   1.721e+08   20.0
H1'  12 H8   12   3.744e+07   20.0
H3'  12 H8   12   7.891e+07   20.0
H4'  12 H1'  12   5.080e+07   20.0
1H2' 12 H8   13   9.771e+07   20.0
H1'  12 H8   13   2.358e+07   20.0
H3'  12 H8   13   5.599e+07   20.0
H8   13 H8   12   1.160e+07   20.0
1H2' 13 H8   13   9.909e+07   20.0
1H5' 13 H8   13   3.994e+07   20.0
H1'  13 1H2' 13   1.486e+08   20.0
H1'  13 H2   13   1.238e+07   39.7
H1'  13 H4'  13   5.823e+07   20.0
H1'  13 H8   13   4.423e+07   20.0
H3'  13 H1'  13   5.896e+07   20.0
H3'  13 H8   13   9.555e+07   20.0
H4'  13 H8   13   2.165e+07   32.4
1H2' 13 H8   14   4.536e+07   20.0
H1'  13 H8   14   1.670e+07   20.0
H2   13 H1'  14   2.106e+07   20.0
H2   13 H2   56   1.299e+07   20.0 Pk1: inter Pk2: inter
1H2' 14 H1'  14   1.528e+08   20.0
1H2' 14 H8   14   1.134e+08   20.0
1H5' 14 H8   14   2.034e+07   20.0
2H5' 14 H8   14   3.388e+07   20.0
H1'  14 H2   14   1.316e+07   20.0
H1'  14 H4'  14   7.458e+07   20.0
H1'  14 H8   14   4.567e+07   20.0
H3'  14 H1'  14   6.324e+07   20.0
H4'  14 H8   14   1.261e+07   20.0
1H2' 14 H8   15   7.516e+07   20.0
H1'  14 H8   15   2.291e+07   20.0
H2   14 H1'  15   3.150e+07   20.0
H2   14 H2   56   1.960e+07   28.0 Pk1: inter Pk2: inter
H1'  15 1H2' 15   1.383e+08   20.0
H1'  15 H8   15   3.819e+07   20.0
1H2' 15 H1'  16   2.301e+07   20.0
1H2' 15 H6   16   1.114e+08   20.0
H1'  15 H1'  16   9.709e+06   20.0
H1'  15 H6   16   3.668e+07   20.0
H1'  15 H2   56   4.471e+07   20.0 Pk1: inter Pk2: inter
H5   16 H1'  15   1.930e+07   20.0
H1'  16 1H2' 16   1.392e+08   20.0
H1'  16 H6   16   3.710e+07   20.0
H5   16 H1'  16   9.630e+06   20.0
H5   16 H6   16   1.534e+08   20.0
H1'  16 H8   17   4.282e+07   20.0
H5   16 H8   17   9.556e+06   20.0
H1'  17 H8   17   3.324e+07   20.0
H1'  17 H6   18   5.346e+07   20.0
H5   18 H1'  17   1.438e+07   20.0
H5   18 H8   17   1.891e+07   20.0
H1'  18 H6   18   2.494e+07   20.0
H5   18 H1'  18   9.401e+06   20.0
H5   18 H6   18   1.376e+08   20.0
H1'  18 H8   19   5.008e+07   20.0
H1'  19 H8   19   2.782e+07   20.0
H1'  19 H6   20   3.011e+07   20.0
H1'  20 H1'  19   5.600e+06   20.0
H5   20 H1'  19   1.266e+07   20.0
H1'  20 H6   20   3.080e+07   20.0
H5   20 H6   20   1.412e+08   20.0
H1'  20 H1'  21   1.185e+07   20.0
H1'  20 H8   21   3.296e+07   20.0
H1'  21 H8   21   3.122e+07   20.0
H4'  21 H1'  21   2.343e+07   20.0
H1'  21 H6   22   3.779e+07   20.0
H2   21 H1'  22   6.713e+07   20.0
H8   21 H5   22   1.788e+07   20.0
1H2' 23 H1'  23   1.460e+08   20.0
H1'  23 H8   23   2.180e+07   20.0
1H2' 23 H1'  24   3.422e+07   20.0
1H2' 23 H8   24   1.179e+08   20.0
H1'  23 H8   24   3.237e+07   20.0
H8   23 H8   24   1.067e+07   20.0
H1'  24 H8   24   2.201e+07   20.0
1H2' 24 H5   25   4.853e+07   20.0
H1'  24 H6   25   2.766e+07   20.0
H8   24 H5   25   1.128e+07   20.0
H5   25 H1'  24   8.845e+06   20.0
H1'  25 H6   25   2.313e+07   20.0
H5   25 H6   25   1.433e+08   20.0
1H2' 26 H1'  26   1.382e+08   20.0
1H2' 26 H8   26   2.165e+07   20.0
H1'  26 H2   26   2.515e+07   35.3
H1'  26 H8   26   1.872e+07   20.0
H3'  26 H1'  26   5.574e+07   20.0
H3'  26 H8   26   8.008e+07   20.0
1H2' 26 H1'  27   3.868e+07   20.0
1H2' 26 H8   27   1.234e+08   20.0
H1'  26 H8   27   3.378e+07   20.0
H2   26 H1'  27   6.042e+07   20.0
H2   26 H2   27   1.739e+07   20.0
H2   26 H8   27   7.644e+06   20.0
H3'  26 H8   27   5.182e+07   20.0
1H2' 27 H2   27   1.350e+07   20.0
H1'  27 H8   27   1.995e+07   20.0
1H2' 27 H8   28   1.851e+08   20.0
H2   27 H1'  28   5.833e+07   20.0
H8   28 H1'  27   3.437e+07   20.0
1H2' 28 H1'  28   9.528e+07   20.0
H1'  28 H8   28   1.723e+07   33.3
1H2' 28 H1'  29   3.514e+07   20.0
1H2' 28 H8   29   1.232e+08   20.0
H1'  29 H2   29   2.049e+07   20.0
H1'  29 H8   29   2.628e+07   20.0
H3'  29 H8   29   8.191e+07   20.0
H1'  30 H2   29   3.914e+07   20.0
1H2' 30 H1'  30   9.412e+07   20.0
H1'  30 H8   30   5.908e+07   20.0
H1'  31 H2   29   1.312e+07   20.0
1H2' 31 H1'  31   8.325e+07   20.0
1H2' 31 H8   31   3.009e+07   20.0
H1'  31 H8   31   5.574e+07   20.0
H3'  31 H8   31   1.343e+07   20.0
1H2' 31 H6   32   3.550e+07   20.0
H1'  31 H6   32   1.493e+07   20.0
H3'  31 H6   32   1.141e+07   20.0
H5   32 H1'  31   1.537e+07   20.0
1H2' 32 H1'  32   1.226e+08   20.0
H5   32 H6   32   2.048e+08   20.0
1H2' 34 H1'  34   1.244e+08   20.0
H5   34 H6   34   1.127e+08   20.0
1H2' 34 H5   35   3.658e+07   20.0
1H2' 34 H6   35   1.698e+08   20.0
H1'  34 H6   35   5.258e+07   20.0
H1'  34 H2   37   1.122e+07   20.0 inter
1H2' 35 H5   35   3.765e+07   20.0
1H2' 35 H6   35   3.837e+07   20.0
H1'  35 1H2' 35   1.671e+08   20.0
H5   35 H6   35   1.568e+08   20.0
H6   35 H1'  35   5.703e+07   20.0
1H2' 36 H8   36   6.441e+07   20.0
H1'  36 1H2' 36   1.176e+08   20.0
H8   36 H1'  36   3.033e+07   20.0
1H2' 36 H8   37   1.508e+08   20.0
H1'  36 H8   37   5.344e+07   20.0
H2   37 H1'  35   3.682e+07   28.1 Pk1: inter Pk2: inter
H1'  37 H1'  36   1.618e+07   20.0
1H2' 37 H8   37   7.098e+07   20.0
H1'  37 1H2' 37   1.324e+08   22.4
H1'  37 H8   37   3.015e+07   20.0
H2   37 H1'  38   7.003e+07   21.3
H5   38 H8   37   9.537e+06   20.0
H6   38 H1'  37   3.418e+07   20.0
H1'  38 H6   38   2.647e+07   20.0
H5   38 H6   38   1.230e+08   20.0
1H2' 39 H1'  39   9.181e+07   20.0
H1'  39 H8   39   1.431e+07   20.0
1H2' 39 H8   40   6.755e+07   20.0
H1'  40 H8   40   3.566e+07   20.0
H1'  40 H6   41   7.764e+06   30.8
H1'  41 H2   29   2.495e+07   20.0 Pk1: inter Pk2: inter
H1'  41 1H2' 41   7.673e+07   20.0
H5   41 H6   41   1.201e+08   20.0
1H2' 41 H5   42   3.751e+07   20.0
1H2' 41 H6   42   1.041e+08   20.0
H6   41 H5   42   1.258e+07   39.3
H5   42 H6   42   1.378e+08   20.0
1H2' 42 H5   43   3.913e+07   20.0
H1'  42 H6   43   3.944e+07   30.6
H5   42 H5   43   1.763e+07   20.0
H1'  43 H2   27   3.936e+07   20.0 Pk1: inter Pk2: inter
H5   43 H6   42   1.361e+07   20.0
H1'  43 1H2' 43   1.499e+08   20.0
H1'  43 H6   43   2.420e+07   20.0
1H2' 43 H8   44   1.639e+08   20.0
H1'  44 H2   26   3.110e+07   20.0 Pk1: inter Pk2: inter
H8   44 H6   43   1.644e+07   20.0
H1'  44 1H2' 44   1.420e+08   20.0
H1'  44 H8   44   1.629e+07   20.0
H1'  44 H6   45   3.406e+07   20.0
H1'  45 1H2' 45   1.314e+08   20.0
H3'  45 H1'  45   4.729e+07   20.0
H3'  45 H5   45   1.966e+07   20.0
H3'  45 H6   45   7.027e+07   20.0
H6   45 H1'  45   2.605e+07   20.0
1H2' 45 H6   46   1.156e+08   20.0
H1'  45 H5   46   1.067e+07   20.0
H1'  45 H6   46   2.749e+07   20.0
H5   45 H5   46   3.926e+07   20.0
H6   45 H5   46   1.991e+07   45.9
H1'  46 1H2' 46   1.450e+08   20.0
H1'  46 H6   46   2.785e+07   20.0
H5   46 H6   46   1.883e+08   20.0
1H2' 46 H8   47   1.550e+08   20.0
H1'  46 H8   47   3.650e+07   20.0
1H2' 47 H8   47   8.314e+07   20.0
H1'  47 1H2' 47   1.721e+08   20.0
H1'  47 H8   47   3.744e+07   20.0
H3'  47 H8   47   7.891e+07   20.0
H4'  47 H1'  47   5.080e+07   20.0
1H2' 47 H8   48   9.771e+07   20.0
H1'  47 H8   48   2.358e+07   20.0
H3'  47 H8   48   5.599e+07   20.0
H2   48 H2   21   1.299e+07   20.0 Pk1: inter Pk2: inter
H8   48 H8   47   1.160e+07   20.0
1H2' 48 H8   48   9.909e+07   20.0
1H5' 48 H8   48   3.994e+07   20.0
H1'  48 1H2' 48   1.486e+08   20.0
H1'  48 H2   48   1.238e+07   39.7
H1'  48 H4'  48   5.823e+07   20.0
H1'  48 H8   48   4.423e+07   20.0
H3'  48 H1'  48   5.896e+07   20.0
H3'  48 H8   48   9.555e+07   20.0
H4'  48 H8   48   2.165e+07   32.4
1H2' 48 H8   49   4.536e+07   20.0
H1'  48 H8   49   1.670e+07   20.0
H2   48 H1'  49   2.106e+07   20.0
H2   49 H2   21   1.960e+07   28.0 Pk1: inter Pk2: inter
1H2' 49 H1'  49   1.528e+08   20.0
1H2' 49 H8   49   1.134e+08   20.0
1H5' 49 H8   49   2.034e+07   20.0
2H5' 49 H8   49   3.388e+07   20.0
H1'  49 H2   49   1.316e+07   20.0
H1'  49 H4'  49   7.458e+07   20.0
H1'  49 H8   49   4.567e+07   20.0
H3'  49 H1'  49   6.324e+07   20.0
H4'  49 H8   49   1.261e+07   20.0
1H2' 49 H8   50   7.516e+07   20.0
H1'  49 H8   50   2.291e+07   20.0
H2   49 H1'  50   3.150e+07   20.0
H1'  50 H2   21   4.471e+07   20.0 Pk1: inter Pk2: inter
H1'  50 1H2' 50   1.383e+08   20.0
H1'  50 H8   50   3.819e+07   20.0
1H2' 50 H1'  51   2.301e+07   20.0
1H2' 50 H6   51   1.114e+08   20.0
H1'  50 H1'  51   9.709e+06   20.0
H1'  50 H6   51   3.668e+07   20.0
H5   51 H1'  50   1.930e+07   20.0
H1'  51 1H2' 51   1.392e+08   20.0
H1'  51 H6   51   3.710e+07   20.0
H5   51 H1'  51   9.630e+06   20.0
H5   51 H6   51   1.534e+08   20.0
H1'  51 H8   52   4.282e+07   20.0
H5   51 H8   52   9.556e+06   20.0
H1'  52 H8   52   3.324e+07   20.0
H1'  52 H6   53   5.346e+07   20.0
H5   53 H1'  52   1.438e+07   20.0
H5   53 H8   52   1.891e+07   20.0
H1'  53 H6   53   2.494e+07   20.0
H5   53 H1'  53   9.401e+06   20.0
H5   53 H6   53   1.376e+08   20.0
H1'  53 H8   54   5.008e+07   20.0
H1'  54 H8   54   2.782e+07   20.0
H1'  54 H6   55   3.011e+07   20.0
H1'  55 H1'  54   5.600e+06   20.0
H5   55 H1'  54   1.266e+07   20.0
H1'  55 H6   55   3.080e+07   20.0
H5   55 H6   55   1.412e+08   20.0
H1'  55 H1'  56   1.185e+07   20.0
H1'  55 H8   56   3.296e+07   20.0
H1'  56 H8   56   3.122e+07   20.0
H4'  56 H1'  56   2.343e+07   20.0
H1'  56 H6   57   3.779e+07   20.0
H2   56 H1'  57   6.713e+07   20.0
H8   56 H5   57   1.788e+07   20.0
1H2' 58 H1'  58   1.460e+08   20.0
H1'  58 H8   58   2.180e+07   20.0
1H2' 58 H1'  59   3.422e+07   20.0
1H2' 58 H8   59   1.179e+08   20.0
H1'  58 H8   59   3.237e+07   20.0
H8   58 H8   59   1.067e+07   20.0
H1'  59 H8   59   2.201e+07   20.0
1H2' 59 H5   60   4.853e+07   20.0
H1'  59 H6   60   2.766e+07   20.0
H8   59 H5   60   1.128e+07   20.0
H5   60 H1'  59   8.845e+06   20.0
H1'  60 H6   60   2.313e+07   20.0
H5   60 H6   60   1.433e+08   20.0
1H2' 61 H1'  61   1.382e+08   20.0
1H2' 61 H8   61   2.165e+07   20.0
H1'  61 H2   61   2.515e+07   35.3
H1'  61 H8   61   1.872e+07   20.0
H3'  61 H1'  61   5.574e+07   20.0
H3'  61 H8   61   8.008e+07   20.0
1H2' 61 H1'  62   3.868e+07   20.0
1H2' 61 H8   62   1.234e+08   20.0
H1'  61 H8   62   3.378e+07   20.0
H2   61 H1'  62   6.042e+07   20.0
H2   61 H2   62   1.739e+07   20.0
H2   61 H8   62   7.644e+06   20.0
H3'  61 H8   62   5.182e+07   20.0
1H2' 62 H2   62   1.350e+07   20.0
H1'  62 H8   62   1.995e+07   20.0
1H2' 62 H8   63   1.851e+08   20.0
H2   62 H1'  63   5.833e+07   20.0
H8   63 H1'  62   3.437e+07   20.0
1H2' 63 H1'  63   9.528e+07   20.0
H1'  63 H8   63   1.723e+07   33.3
1H2' 63 H1'  64   3.514e+07   20.0
1H2' 63 H8   64   1.232e+08   20.0
H1'  64 H2   64   2.049e+07   20.0
H1'  64 H8   64   2.628e+07   20.0
H3'  64 H8   64   8.191e+07   20.0
H1'  65 H2   64   3.914e+07   20.0
1H2' 65 H1'  65   9.412e+07   20.0
H1'  65 H8   65   5.908e+07   20.0
H1'  66 H2   64   1.312e+07   20.0
1H2' 66 H1'  66   8.325e+07   20.0
1H2' 66 H8   66   3.009e+07   20.0
H1'  66 H8   66   5.574e+07   20.0
H3'  66 H8   66   1.343e+07   20.0
1H2' 66 H6   67   3.550e+07   20.0
H1'  66 H6   67   1.493e+07   20.0
H3'  66 H6   67   1.141e+07   20.0
H5   67 H1'  66   1.537e+07   20.0
1H2' 67 H1'  67   1.226e+08   20.0
H5   67 H6   67   2.048e+08   20.0
H1'  69 H2    2   1.122e+07   20.0 inter
1H2' 69 H1'  69   1.244e+08   20.0
H5   69 H6   69   1.127e+08   20.0
1H2' 69 H5   70   3.658e+07   20.0
1H2' 69 H6   70   1.698e+08   20.0
H1'  69 H6   70   5.258e+07   20.0
1H2' 70 H5   70   3.765e+07   20.0
1H2' 70 H6   70   3.837e+07   20.0
H1'  70 1H2' 70   1.671e+08   20.0
H5   70 H6   70   1.568e+08   20.0
H6   70 H1'  70   5.703e+07   20.0
#
#       (3D) 150-ms dataset 600 MHz
#
HEADER prepared from 150.mardilist by mardi.in   Fri Dec 16 18:21:15 2005
MIXING TIME: 0.15
ATOM1   ATOM2   INTENSITY   ERROR    Note    
1H2'  1 H1'   1   3.929e+06   20.0
1H2'  1 H8    1   3.704e+06   20.0
H1'   1 H8    1   1.945e+06   20.0
H3'   1 H1'   1   1.677e+06   20.0
H3'   1 H8    1   2.573e+06   20.0
1H2'  1 H1'   2   1.280e+06   20.0
1H2'  1 H8    2   2.585e+06   20.0
H1'   1 H1'   2   4.433e+05   20.0
H1'   1 H8    2   2.576e+06   20.0
H3'   1 H8    2   1.864e+06   20.0
H8    1 H8    2   1.216e+06   20.0
1H2'  2 H1'   2   4.471e+06   20.0
1H2'  2 H8    2   1.388e+06   20.0
H1'   2 H2    2   4.208e+05   20.0
1H2'  2 H5    3   2.231e+06   20.0
H1'   2 H5    3   7.953e+05   20.0
H1'   2 H6    3   1.333e+06   20.0
H2    2 H1'  70   1.116e+06   20.0 Pk1: inter Pk2: inter
H1'   3 H5    3   4.204e+05   20.0
1H2'  4 H1'   4   2.440e+06   20.0
1H2'  4 H8    4   1.067e+06   20.0
H1'   4 H8    4   1.211e+06   20.0
1H2'  4 H8    5   2.200e+06   20.0
H1'   4 H8    5   7.786e+05   21.2
H1'   5 H8    5   1.489e+06   20.0
1H2'  5 H5    6   1.901e+06   20.0
H1'   5 H5    6   3.277e+05   20.0
H1'   5 H6    6   7.192e+05   20.0
H8    5 H6    6   5.306e+05   20.0
1H2'  6 H1'   6   3.017e+06   20.0
H1'   6 H5    6   3.360e+05   20.0
H5    6 H6    6   3.865e+06   20.0
1H2'  6 H5    7   1.701e+06   20.0
1H2'  6 H6    7   2.609e+06   20.0
H5    6 H5    7   1.005e+06   20.0
H6    6 H5    7   4.701e+05   27.5
H1'   6 H2   64   1.165e+06   20.0 inter
H5    7 H6    7   3.498e+06   20.0
H5    7 H5    8   7.553e+05   20.0
H1'   8 H6    8   1.180e+06   45.0
H1'   8 H1'   9   2.034e+05   20.0
H6    8 H8    9   4.681e+05   20.0
H1'   8 H2   62   1.822e+06   20.0 Pk1: inter Pk2: inter
H6    8 H2   62   3.244e+05   20.0 inter
H1'   9 H8    9   1.123e+06   23.6
H3'   9 H1'   9   1.551e+06   20.0
H1'   9 H1'  10   3.309e+05   20.7
H1'   9 H5   10   7.064e+05   20.0
H1'   9 H6   10   1.629e+06   20.0
H1'   9 H2   61   1.388e+06   20.0 Pk1: inter Pk2: inter
H8    9 H2   61   2.476e+05   20.0 inter
H5   10 H8    9   1.303e+06   20.0
H1'  10 H6   10   8.502e+05   22.8
H3'  10 H1'  10   1.821e+06   20.0
H3'  10 H5   10   1.063e+06   20.0
H1'  10 H1'  11   3.056e+05   20.0
H1'  10 H5   11   5.240e+05   20.0
H1'  10 H6   11   1.239e+06   20.0
H5   10 H5   11   1.521e+06   20.0
H6   10 H5   11   8.533e+05   20.0
1H2' 11 H1'  11   4.162e+06   20.0
1H2' 11 H6   11   8.418e+05   20.0
H1'  11 H6   11   1.538e+06   32.5
H5   11 H6   11   4.896e+06   20.0
1H2' 11 H8   12   4.078e+06   20.0
H1'  11 H8   12   2.373e+06   20.0
1H2' 12 H1'  12   5.683e+06   20.0
1H2' 12 H8   12   3.020e+06   20.0
H1'  12 H8   12   1.886e+06   22.1
H3'  12 H8   12   2.193e+06   20.0
H4'  12 H8   12   1.564e+06   20.0
1H2' 12 H8   13   2.741e+06   20.0
H1'  12 H1'  13   3.283e+05   20.0
H1'  12 H8   13   1.366e+06   25.4
H3'  12 H8   13   1.649e+06   20.0
H8   12 H8   13   6.021e+05   20.0
1H2' 13 H1'  13   5.223e+06   20.0
1H2' 13 H8   13   2.813e+06   20.0
1H5' 13 H8   13   1.116e+06   20.0
H1'  13 H2   13   4.552e+05   20.0
H1'  13 H8   13   1.992e+06   20.0
H3'  13 H1'  13   2.742e+06   20.0
H3'  13 H8   13   3.573e+06   20.0
H4'  13 H1'  13   3.007e+06   20.0
H4'  13 H8   13   1.330e+06   20.0
1H2' 13 H1'  14   7.397e+05   20.0
1H2' 13 H8   14   1.763e+06   20.0
H1'  13 H8   14   8.671e+05   20.0
H2   13 H1'  14   1.152e+06   20.0
H4'  13 H8   14   4.008e+05   20.0
H2   13 H2   56   7.546e+05   20.0 inter
H2   13 H1'  57   4.108e+05   20.0 inter
H4'  14 H1'  13   3.247e+05   20.0
1H2' 14 H1'  14   4.919e+06   20.0
1H2' 14 H2   14   3.207e+05   20.0
1H2' 14 H8   14   4.366e+06   20.0
1H5' 14 H8   14   1.070e+06   20.0
2H5' 14 H8   14   9.035e+05   20.0
H1'  14 H2   14   4.544e+05   24.4
H1'  14 H8   14   2.150e+06   20.0
H3'  14 H1'  14   2.795e+06   20.0
H4'  14 H1'  14   2.855e+06   20.0
1H2' 14 H8   15   2.590e+06   20.0
H1'  14 H8   15   8.559e+05   20.0
H2   14 H1'  15   1.188e+06   20.0
H2   14 H8   15   4.317e+05   20.0
H8   14 H8   15   6.508e+05   20.0
H2   14 H2   56   8.064e+05   20.0 Pk1: inter Pk2: inter
1H2' 15 H1'  15   5.174e+06   20.0
H1'  15 H8   15   1.444e+06   20.0
1H2' 15 H5   16   2.117e+06   20.0
H1'  15 H5   16   1.128e+06   20.0
H1'  15 H6   16   1.579e+06   20.0
H1'  15 H2   56   1.472e+06   20.0 Pk1: inter Pk2: inter
H1'  16 H5   16   4.528e+05   20.0
H1'  16 H6   16   1.127e+06   20.0
H5   16 H6   16   3.924e+06   20.0
H1'  16 H1'  17   3.304e+05   20.0
H1'  16 H8   17   2.000e+06   20.0
H6   16 H8   17   6.038e+05   20.0
H1'  17 H8   17   1.148e+06   20.0
H1'  17 H6   18   1.550e+06   20.0
H1'  18 H5   18   4.283e+05   20.0
H1'  18 H6   18   1.457e+06   20.0
H5   18 H6   18   3.712e+06   20.0
H1'  18 H8   19   2.332e+06   20.0
H8   19 H6   18   5.916e+05   20.0
H1'  19 H8   19   1.012e+06   20.0
H1'  19 H1'  20   4.114e+05   20.0
H1'  19 H6   20   9.653e+05   20.0
H1'  20 H5   20   7.112e+05   20.0
H1'  20 H6   20   1.479e+06   20.0
H1'  20 H1'  21   2.344e+05   32.8
H1'  20 H8   21   1.526e+06   20.0
H5   20 H8   21   4.902e+05   56.1
H1'  21 H8   21   1.375e+06   20.0
H4'  21 H1'  21   1.340e+06   20.0
H1'  21 H6   22   1.411e+06   20.0
H2   21 H1'  22   2.832e+06   20.0
H2   21 H6   22   7.026e+05   20.0
H8   21 H5   22   8.471e+05   20.0
H1'  22 H1'  23   2.294e+05   20.0
H5   22 H2   48   2.925e+05   20.0 inter
1H2' 23 H8   23   9.598e+05   20.0
H1'  23 H8   23   1.278e+06   20.0
H1'  23 H8   24   1.898e+06   20.0
H8   23 H8   24   7.692e+05   20.0
H1'  24 H8   24   1.038e+06   20.0
H1'  24 H5   25   8.025e+05   20.0
H1'  24 H6   25   1.869e+06   20.0
H8   24 H5   25   7.023e+05   20.0
H6   25 H8   24   2.721e+05   20.0
H1'  25 H5   25   3.038e+05   20.0
H5   25 H6   25   3.524e+06   20.0
H1'  25 H1'  26   3.043e+05   20.0
1H2' 26 H1'  26   4.896e+06   20.0
1H2' 26 H2   26   5.552e+05   20.0
H1'  26 H2   26   4.000e+05   20.0
H1'  26 H8   26   7.588e+05   20.0
H1'  26 H8   27   1.894e+06   20.0
H2   26 H1'  27   2.531e+06   20.0
H2   26 H2   27   7.324e+05   20.0
H2   26 H8   27   4.007e+05   20.0
H3'  26 H8   27   1.948e+06   20.0
H8   26 H8   27   8.676e+05   41.8
H2   26 H1'  43   3.834e+05   20.0 inter
H1'  27 H1'  26   3.193e+05   20.0
H1'  27 H2   27   4.572e+05   20.0
H1'  27 H8   27   1.157e+06   20.0
1H2' 27 H8   28   6.932e+06   20.0
H1'  27 H1'  28   2.711e+05   20.0
H1'  27 H8   28   1.223e+06   20.0
H2   27 H1'  28   2.718e+06   20.0
H8   27 H8   28   5.764e+05   20.0
1H2' 28 H1'  28   4.067e+06   20.0
1H2' 28 H8   28   8.730e+05   20.0
H1'  28 H8   28   1.103e+06   20.0
H1'  28 H1'  29   2.675e+05   20.0
H8   29 H8   28   5.070e+05   20.0
H1'  29 H2   29   5.447e+05   20.0
H1'  29 H8   29   1.530e+06   20.0
H3'  29 H1'  29   2.585e+06   20.0
H2   29 H1'  30   1.986e+06   20.0
H8   29 H8   30   1.518e+05   20.0
1H2' 30 H2   29   6.180e+05   20.0
H1'  30 H1'  29   1.786e+05   20.0
H1'  30 H8   30   2.004e+06   20.0
H3'  30 H8   31   9.731e+05   20.0
H1'  31 H2   29   1.273e+06   20.0
1H2' 31 H1'  31   4.482e+06   20.0
H1'  31 H8   31   2.739e+06   20.0
1H2' 31 H5   32   1.016e+06   20.0
H1'  31 H1'  32   2.936e+05   20.0
H1'  31 H5   32   1.402e+06   20.0
H1'  31 H6   32   1.323e+06   22.8
H3'  31 H5   32   7.057e+05   20.0
H5   32 H8   31   2.655e+05   20.0
H1'  33 H1'  32   2.340e+05   20.0
H1'  33 H8   33   1.358e+06   20.0
H1'  33 H5   34   6.075e+05   20.0
H1'  33 H6   34   2.225e+06   20.0
H3'  33 H5   34   1.017e+06   20.0
H3'  33 H6   34   2.456e+06   20.0
1H2' 34 H1'  34   4.183e+06   20.0
H5   34 H6   34   4.146e+06   20.0
1H2' 34 H1'  35   4.222e+05   20.0
1H2' 34 H5   35   1.333e+06   20.0
1H2' 34 H6   35   3.207e+06   20.0
H1'  34 H5   35   5.364e+05   20.0
H5   34 H5   35   7.935e+05   20.0
H6   34 H5   35   4.454e+05   20.0
1H2' 35 H5   35   1.541e+06   20.0
1H2' 35 H6   35   1.929e+06   20.0
H1'  35 1H2' 35   6.172e+06   20.0
H1'  35 H5   35   6.117e+05   26.8
H1'  35 H6   35   1.340e+06   20.0
H5   35 H6   35   4.735e+06   20.0
1H2' 36 H1'  36   3.929e+06   20.0
1H2' 36 H8   36   3.704e+06   20.0
H1'  36 H8   36   1.945e+06   20.0
H3'  36 H1'  36   1.677e+06   20.0
H3'  36 H8   36   2.573e+06   20.0
1H2' 36 H1'  37   1.280e+06   20.0
1H2' 36 H8   37   2.585e+06   20.0
H1'  36 H1'  37   4.433e+05   20.0
H1'  36 H8   37   2.576e+06   20.0
H3'  36 H8   37   1.864e+06   20.0
H8   36 H8   37   1.216e+06   20.0
H2   37 H1'  35   1.116e+06   20.0 Pk1: inter Pk2: inter
1H2' 37 H1'  37   4.471e+06   20.0
1H2' 37 H8   37   1.388e+06   20.0
H1'  37 H2   37   4.208e+05   20.0
1H2' 37 H5   38   2.231e+06   20.0
H1'  37 H5   38   7.953e+05   20.0
H1'  37 H6   38   1.333e+06   20.0
H1'  38 H5   38   4.204e+05   20.0
1H2' 39 H1'  39   2.440e+06   20.0
1H2' 39 H8   39   1.067e+06   20.0
H1'  39 H8   39   1.211e+06   20.0
1H2' 39 H8   40   2.200e+06   20.0
H1'  39 H8   40   7.786e+05   21.2
H1'  40 H8   40   1.489e+06   20.0
1H2' 40 H5   41   1.901e+06   20.0
H1'  40 H5   41   3.277e+05   20.0
H1'  40 H6   41   7.192e+05   20.0
H8   40 H6   41   5.306e+05   20.0
H1'  41 H2   29   1.165e+06   20.0 inter
1H2' 41 H1'  41   3.017e+06   20.0
H1'  41 H5   41   3.360e+05   20.0
H5   41 H6   41   3.865e+06   20.0
1H2' 41 H5   42   1.701e+06   20.0
1H2' 41 H6   42   2.609e+06   20.0
H5   41 H5   42   1.005e+06   20.0
H6   41 H5   42   4.701e+05   27.5
H5   42 H6   42   3.498e+06   20.0
H5   42 H5   43   7.553e+05   20.0
H1'  43 H2   27   1.822e+06   20.0 Pk1: inter Pk2: inter
H6   43 H2   27   3.244e+05   20.0 inter
H1'  43 H6   43   1.180e+06   45.0
H1'  43 H1'  44   2.034e+05   20.0
H6   43 H8   44   4.681e+05   20.0
H1'  44 H2   26   1.388e+06   20.0 Pk1: inter Pk2: inter
H8   44 H2   26   2.476e+05   20.0 inter
H1'  44 H8   44   1.123e+06   23.6
H3'  44 H1'  44   1.551e+06   20.0
H1'  44 H1'  45   3.309e+05   20.7
H1'  44 H5   45   7.064e+05   20.0
H1'  44 H6   45   1.629e+06   20.0
H5   45 H8   44   1.303e+06   20.0
H1'  45 H6   45   8.502e+05   22.8
H3'  45 H1'  45   1.821e+06   20.0
H3'  45 H5   45   1.063e+06   20.0
H1'  45 H1'  46   3.056e+05   20.0
H1'  45 H5   46   5.240e+05   20.0
H1'  45 H6   46   1.239e+06   20.0
H5   45 H5   46   1.521e+06   20.0
H6   45 H5   46   8.533e+05   20.0
1H2' 46 H1'  46   4.162e+06   20.0
1H2' 46 H6   46   8.418e+05   20.0
H1'  46 H6   46   1.538e+06   32.5
H5   46 H6   46   4.896e+06   20.0
1H2' 46 H8   47   4.078e+06   20.0
H1'  46 H8   47   2.373e+06   20.0
1H2' 47 H1'  47   5.683e+06   20.0
1H2' 47 H8   47   3.020e+06   20.0
H1'  47 H8   47   1.886e+06   22.1
H3'  47 H8   47   2.193e+06   20.0
H4'  47 H8   47   1.564e+06   20.0
1H2' 47 H8   48   2.741e+06   20.0
H1'  47 H1'  48   3.283e+05   20.0
H1'  47 H8   48   1.366e+06   25.4
H3'  47 H8   48   1.649e+06   20.0
H8   47 H8   48   6.021e+05   20.0
H2   48 H2   21   7.546e+05   20.0 inter
H2   48 H1'  22   4.108e+05   20.0 inter
1H2' 48 H1'  48   5.223e+06   20.0
1H2' 48 H8   48   2.813e+06   20.0
1H5' 48 H8   48   1.116e+06   20.0
H1'  48 H2   48   4.552e+05   20.0
H1'  48 H8   48   1.992e+06   20.0
H3'  48 H1'  48   2.742e+06   20.0
H3'  48 H8   48   3.573e+06   20.0
H4'  48 H1'  48   3.007e+06   20.0
H4'  48 H8   48   1.330e+06   20.0
1H2' 48 H1'  49   7.397e+05   20.0
1H2' 48 H8   49   1.763e+06   20.0
H1'  48 H8   49   8.671e+05   20.0
H2   48 H1'  49   1.152e+06   20.0
H4'  48 H8   49   4.008e+05   20.0
H2   49 H2   21   8.064e+05   20.0 Pk1: inter Pk2: inter
H4'  49 H1'  48   3.247e+05   20.0
1H2' 49 H1'  49   4.919e+06   20.0
1H2' 49 H2   49   3.207e+05   20.0
1H2' 49 H8   49   4.366e+06   20.0
1H5' 49 H8   49   1.070e+06   20.0
2H5' 49 H8   49   9.035e+05   20.0
H1'  49 H2   49   4.544e+05   24.4
H1'  49 H8   49   2.150e+06   20.0
H3'  49 H1'  49   2.795e+06   20.0
H4'  49 H1'  49   2.855e+06   20.0
1H2' 49 H8   50   2.590e+06   20.0
H1'  49 H8   50   8.559e+05   20.0
H2   49 H1'  50   1.188e+06   20.0
H2   49 H8   50   4.317e+05   20.0
H8   49 H8   50   6.508e+05   20.0
H1'  50 H2   21   1.472e+06   20.0 Pk1: inter Pk2: inter
1H2' 50 H1'  50   5.174e+06   20.0
H1'  50 H8   50   1.444e+06   20.0
1H2' 50 H5   51   2.117e+06   20.0
H1'  50 H5   51   1.128e+06   20.0
H1'  50 H6   51   1.579e+06   20.0
H1'  51 H5   51   4.528e+05   20.0
H1'  51 H6   51   1.127e+06   20.0
H5   51 H6   51   3.924e+06   20.0
H1'  51 H1'  52   3.304e+05   20.0
H1'  51 H8   52   2.000e+06   20.0
H6   51 H8   52   6.038e+05   20.0
H1'  52 H8   52   1.148e+06   20.0
H1'  52 H6   53   1.550e+06   20.0
H1'  53 H5   53   4.283e+05   20.0
H1'  53 H6   53   1.457e+06   20.0
H5   53 H6   53   3.712e+06   20.0
H1'  53 H8   54   2.332e+06   20.0
H8   54 H6   53   5.916e+05   20.0
H1'  54 H8   54   1.012e+06   20.0
H1'  54 H1'  55   4.114e+05   20.0
H1'  54 H6   55   9.653e+05   20.0
H1'  55 H5   55   7.112e+05   20.0
H1'  55 H6   55   1.479e+06   20.0
H1'  55 H1'  56   2.344e+05   32.8
H1'  55 H8   56   1.526e+06   20.0
H5   55 H8   56   4.902e+05   56.1
H1'  56 H8   56   1.375e+06   20.0
H4'  56 H1'  56   1.340e+06   20.0
H1'  56 H6   57   1.411e+06   20.0
H2   56 H1'  57   2.832e+06   20.0
H2   56 H6   57   7.026e+05   20.0
H8   56 H5   57   8.471e+05   20.0
H5   57 H2   13   2.925e+05   20.0 inter
H1'  57 H1'  58   2.294e+05   20.0
1H2' 58 H8   58   9.598e+05   20.0
H1'  58 H8   58   1.278e+06   20.0
H1'  58 H8   59   1.898e+06   20.0
H8   58 H8   59   7.692e+05   20.0
H1'  59 H8   59   1.038e+06   20.0
H1'  59 H5   60   8.025e+05   20.0
H1'  59 H6   60   1.869e+06   20.0
H8   59 H5   60   7.023e+05   20.0
H6   60 H8   59   2.721e+05   20.0
H1'  60 H5   60   3.038e+05   20.0
H5   60 H6   60   3.524e+06   20.0
H1'  60 H1'  61   3.043e+05   20.0
H2   61 H1'   8   3.834e+05   20.0 inter
1H2' 61 H1'  61   4.896e+06   20.0
1H2' 61 H2   61   5.552e+05   20.0
H1'  61 H2   61   4.000e+05   20.0
H1'  61 H8   61   7.588e+05   20.0
H1'  61 H8   62   1.894e+06   20.0
H2   61 H1'  62   2.531e+06   20.0
H2   61 H2   62   7.324e+05   20.0
H2   61 H8   62   4.007e+05   20.0
H3'  61 H8   62   1.948e+06   20.0
H8   61 H8   62   8.676e+05   41.8
H1'  62 H1'  61   3.193e+05   20.0
H1'  62 H2   62   4.572e+05   20.0
H1'  62 H8   62   1.157e+06   20.0
1H2' 62 H8   63   6.932e+06   20.0
H1'  62 H1'  63   2.711e+05   20.0
H1'  62 H8   63   1.223e+06   20.0
H2   62 H1'  63   2.718e+06   20.0
H8   62 H8   63   5.764e+05   20.0
1H2' 63 H1'  63   4.067e+06   20.0
1H2' 63 H8   63   8.730e+05   20.0
H1'  63 H8   63   1.103e+06   20.0
H1'  63 H1'  64   2.675e+05   20.0
H8   64 H8   63   5.070e+05   20.0
H1'  64 H2   64   5.447e+05   20.0
H1'  64 H8   64   1.530e+06   20.0
H3'  64 H1'  64   2.585e+06   20.0
H2   64 H1'  65   1.986e+06   20.0
H8   64 H8   65   1.518e+05   20.0
1H2' 65 H2   64   6.180e+05   20.0
H1'  65 H1'  64   1.786e+05   20.0
H1'  65 H8   65   2.004e+06   20.0
H3'  65 H8   66   9.731e+05   20.0
H1'  66 H2   64   1.273e+06   20.0
1H2' 66 H1'  66   4.482e+06   20.0
H1'  66 H8   66   2.739e+06   20.0
1H2' 66 H5   67   1.016e+06   20.0
H1'  66 H1'  67   2.936e+05   20.0
H1'  66 H5   67   1.402e+06   20.0
H1'  66 H6   67   1.323e+06   22.8
H3'  66 H5   67   7.057e+05   20.0
H5   67 H8   66   2.655e+05   20.0
H1'  68 H1'  67   2.340e+05   20.0
H1'  68 H8   68   1.358e+06   20.0
H1'  68 H5   69   6.075e+05   20.0
H1'  68 H6   69   2.225e+06   20.0
H3'  68 H5   69   1.017e+06   20.0
H3'  68 H6   69   2.456e+06   20.0
1H2' 69 H1'  69   4.183e+06   20.0
H5   69 H6   69   4.146e+06   20.0
1H2' 69 H1'  70   4.222e+05   20.0
1H2' 69 H5   70   1.333e+06   20.0
1H2' 69 H6   70   3.207e+06   20.0
H1'  69 H5   70   5.364e+05   20.0
H5   69 H5   70   7.935e+05   20.0
H6   69 H5   70   4.454e+05   20.0
1H2' 70 H5   70   1.541e+06   20.0
1H2' 70 H6   70   1.929e+06   20.0
H1'  70 1H2' 70   6.172e+06   20.0
H1'  70 H5   70   6.117e+05   26.8
H1'  70 H6   70   1.340e+06   20.0
H5   70 H6   70   4.735e+06   20.0
#
#       (3E) 300-ms dataset 600 MHz
#
HEADER prepared from 300.mardilist by mardi.in   Fri Dec 16 18:21:35 2005
MIXING TIME: 0.3
ATOM1   ATOM2   INTENSITY   ERROR    Note    
1H2'  1 H1'   1   4.807e+06   20.0
1H2'  1 H8    1   3.564e+06   20.0
H1'   1 H8    1   3.312e+06   20.0
H3'   1 H1'   1   4.698e+06   20.0
H3'   1 H8    1   3.991e+06   20.0
1H2'  1 H1'   2   9.823e+05   20.0
1H2'  1 H8    2   3.084e+06   20.0
H1'   1 H1'   2   9.069e+05   20.0
H1'   1 H8    2   3.274e+06   20.0
H3'   1 H8    2   3.854e+06   20.0
H8    1 H8    2   2.432e+06   20.0
1H2'  2 H1'   2   6.541e+06   20.0
1H2'  2 H8    2   5.138e+06   20.0
H1'   2 H2    2   7.833e+05   20.0
H1'   2 H8    2   1.863e+06   20.0
1H2'  2 H5    3   4.985e+06   20.0
H1'   2 H1'   3   1.010e+06   20.0
H1'   2 H5    3   2.007e+06   20.0
H1'   2 H6    3   2.543e+06   20.0
H8    2 H5    3   1.112e+06   35.3
H2    2 H1'  70   2.614e+06   20.0 Pk1: inter Pk2: inter
H5    3 H2    2   6.679e+05   20.0
H1'   3 H5    3   1.944e+06   20.0
H5    3 H6    3   4.242e+06   20.0
H1'   3 H1'   4   7.042e+05   20.0
1H2'  4 H1'   4   3.510e+06   20.0
1H2'  4 H8    4   2.346e+06   20.0
H1'   4 H8    4   1.789e+06   20.0
1H2'  4 H1'   5   2.020e+06   20.0
1H2'  4 H8    5   2.369e+06   20.0
H1'   4 H1'   5   1.008e+06   40.9
H1'   4 H8    5   1.333e+06   20.0
H1'   5 H8    5   2.256e+06   20.0
1H2'  5 H5    6   5.298e+06   20.0
H1'   5 H5    6   1.186e+06   20.0
H1'   5 H6    6   1.673e+06   20.0
H8    5 H5    6   9.988e+05   20.0
H8    5 H6    6   6.255e+05   20.0
H1'   6 H1'   5   5.760e+05   20.0
1H2'  6 H1'   6   3.462e+06   20.0
1H2'  6 H5    6   6.771e+05   20.0
H1'   6 H5    6   9.888e+05   20.0
H5    6 H6    6   4.011e+06   20.0
1H2'  6 H5    7   2.115e+06   20.0
1H2'  6 H6    7   3.933e+06   20.0
H5    6 H5    7   1.670e+06   20.0
H6    6 H5    7   1.059e+06   20.0
H1'   6 H2   64   2.718e+06   20.0 Pk1: inter Pk2: inter
H5    7 H6    7   4.636e+06   20.0
H1'   7 H1'   8   1.597e+06   20.0
H1'   7 H5    8   3.041e+06   22.1
H5    7 H5    8   1.952e+06   20.0
H1'   8 H6    8   2.074e+06   20.0
H1'   8 H1'   9   8.068e+05   20.0
H6    8 H8    9   1.216e+06   20.0
H1'   8 H2   61   5.760e+05   20.0 Pk1: inter Pk2: inter
H6    8 H2   61   2.585e+05   20.0 inter
H1'   8 H1'  62   2.724e+05   24.3 Pk1: inter Pk2: inter
H1'   8 H2   62   2.760e+06   20.0 Pk1: inter Pk2: inter
H5    8 H2   62   5.115e+05   20.0 Pk1: inter Pk2: inter
H1'   8 H1'  63   5.192e+05   20.0 inter
H1'   9 H8    9   1.837e+06   20.0
H1'   9 H1'  10   9.786e+05   20.0
H1'   9 H5   10   2.169e+06   20.0
H1'   9 H6   10   2.565e+06   20.0
H8    9 H5   10   1.926e+06   20.0
H8    9 H6   10   8.218e+05   26.9
H1'   9 H2   61   2.392e+06   20.0 Pk1: inter Pk2: inter
H8    9 H2   61   4.536e+05   20.0 Pk1: inter Pk2: inter
H1'   9 H2   62   2.342e+05   20.0 Pk1: inter Pk2: inter
H8    9 H2   62   4.092e+05   20.0 Pk1: inter Pk2: inter
H1'  10 H6   10   1.677e+06   20.0
H1'  10 H1'  11   1.396e+06   20.0
H1'  10 H5   11   2.363e+06   20.0
H1'  10 H6   11   2.296e+06   20.0
H5   10 H5   11   3.152e+06   20.0
H5   10 H6   11   1.650e+06   20.0
H6   10 H5   11   1.824e+06   20.0
H6   10 H6   11   6.740e+05   20.0
H5   10 H2   61   4.194e+05   20.0 Pk1: inter Pk2: inter
1H2' 11 H1'  11   6.977e+06   20.0
1H2' 11 H6   11   2.263e+06   20.0
H1'  11 H5   11   2.498e+06   20.0
H1'  11 H6   11   2.548e+06   20.0
H5   11 H6   11   5.916e+06   20.0
1H2' 11 H8   12   4.386e+06   20.0
H1'  11 H8   12   3.687e+06   20.0
H6   11 H8   12   8.269e+05   20.0
1H2' 12 H8   12   3.114e+06   20.0
H1'  12 H8   12   3.228e+06   20.0
H3'  12 H8   12   2.934e+06   20.0
1H2' 12 H1'  13   1.327e+06   20.0
1H2' 12 H8   13   3.809e+06   20.0
H1'  12 H1'  13   7.083e+05   20.0
H1'  12 H8   13   2.629e+06   20.0
H3'  12 H8   13   2.987e+06   20.0
H8   12 H1'  13   3.052e+05   20.0
H8   12 H8   13   1.223e+06   20.0
1H2' 13 H1'  13   8.059e+06   20.0
1H2' 13 H8   13   3.945e+06   20.0
1H5' 13 H8   13   1.951e+06   20.0
H1'  13 H2   13   9.284e+05   20.0
H1'  13 H8   13   3.692e+06   20.0
H2   13 H8   13   2.132e+05   20.0
H3'  13 H1'  13   5.768e+06   20.0
H3'  13 H8   13   5.272e+06   20.0
H4'  13 H8   13   3.348e+06   20.0
1H2' 13 H1'  14   2.063e+06   20.0
1H2' 13 H8   14   2.677e+06   20.0
H1'  13 H2   14   3.103e+05   20.0
H1'  13 H8   14   1.954e+06   20.0
H2   13 H1'  14   2.106e+06   20.0
H2   13 H8   14   4.859e+05   20.0
H4'  13 H8   14   1.693e+06   20.0
H8   13 H1'  14   3.651e+05   20.0
H8   13 H8   14   1.230e+06   20.0
H1'  13 H8   15   3.299e+05   20.0
H2   13 H8   15   5.414e+05   20.0
H1'  13 H2   56   2.221e+05   20.0 inter
H2   13 H2   56   1.959e+06   20.0 Pk1: inter Pk2: inter
1H2' 14 H1'  14   8.093e+06   20.0
1H2' 14 H8   14   6.134e+06   20.0
1H5' 14 H8   14   2.597e+06   20.0
2H5' 14 H8   14   2.128e+06   20.0
H1'  14 H2   14   1.047e+06   20.0
H1'  14 H8   14   4.309e+06   20.0
H2   14 H8   14   4.387e+05   20.0
H3'  14 H1'  14   6.058e+06   20.0
H4'  14 H8   14   2.710e+06   20.0
1H2' 14 H8   15   3.114e+06   20.0
H1'  14 H1'  15   5.882e+05   21.3
H1'  14 H8   15   1.782e+06   20.0
H2   14 H1'  15   2.313e+06   20.0
H2   14 H8   15   6.186e+05   20.0
H8   14 H8   15   1.361e+06   20.0
H1'  14 H2   56   4.366e+05   20.0 Pk1: inter Pk2: inter
H2   14 H1'  56   3.169e+05   20.0 inter
H2   14 H2   56   2.059e+06   20.0 Pk1: inter Pk2: inter
H1'  15 H8   15   2.645e+06   20.0
H1'  15 H1'  16   9.269e+05   20.0
H1'  15 H5   16   3.847e+06   20.0
H1'  15 H6   16   2.221e+06   20.0
H1'  15 H2   56   2.662e+06   20.0 Pk1: inter Pk2: inter
H1'  15 H1'  57   5.731e+05   31.5 Pk1: inter Pk2: inter
H1'  16 H5   16   1.495e+06   20.0
H1'  16 H6   16   2.457e+06   20.0
H5   16 H6   16   5.276e+06   20.0
H1'  16 H1'  17   1.075e+06   20.0
H1'  16 H8   17   3.200e+06   20.0
H5   16 H8   17   1.215e+06   20.0
H6   16 H8   17   1.057e+06   20.0
H1'  17 H8   17   2.133e+06   20.0
H1'  17 H6   18   2.891e+06   20.0
H5   18 H8   17   1.682e+06   20.0
H6   18 H8   17   6.824e+05   20.0
H1'  18 H5   18   2.007e+06   20.0
H1'  18 H6   18   2.014e+06   20.0
H5   18 H6   18   4.368e+06   20.0
H1'  18 H8   19   4.457e+06   20.0
H1'  19 H8   19   3.072e+06   20.0
H1'  19 H1'  20   1.334e+06   20.0
H1'  19 H6   20   2.188e+06   20.0
H1'  20 H6   20   2.701e+06   20.0
H5   20 H6   20   4.642e+06   20.0
H1'  20 H1'  21   9.308e+05   20.0
H1'  20 H8   21   2.570e+06   20.0
H5   20 H8   21   7.768e+05   20.0
H6   20 H8   21   5.854e+05   22.3
H1'  21 H8   21   2.078e+06   20.0
H8   21 H2   21   1.627e+05   20.0
H1'  21 H6   22   2.790e+06   20.0
H2   21 H1'  22   4.929e+06   20.0
H2   21 H6   22   1.286e+06   20.0
H8   21 H5   22   1.580e+06   20.0
H8   21 H6   22   1.545e+06   20.0
1H2' 22 H1'  22   9.756e+06   20.0
H1'  22 H1'  23   8.474e+05   20.0
1H2' 23 H8   23   3.118e+06   20.0
H1'  23 H8   23   2.258e+06   20.0
1H2' 23 H8   24   3.283e+06   20.0
H1'  23 H8   24   3.130e+06   20.0
H8   23 H8   24   1.205e+06   20.0
H1'  24 H8   24   1.804e+06   20.0
H1'  24 H1'  25   1.293e+06   20.0
H1'  24 H5   25   3.039e+06   20.0
H1'  24 H6   25   2.269e+06   20.0
H8   24 H5   25   9.104e+05   20.0
H8   24 H6   25   6.426e+05   20.0
H1'  25 H5   25   1.721e+06   20.0
H5   25 H6   25   4.628e+06   20.0
H1'  25 H1'  26   1.109e+06   20.0
H5   25 H8   26   8.572e+05   20.0
1H2' 26 H1'  26   7.555e+06   20.0
H1'  26 H2   26   8.738e+05   20.0
H1'  26 H8   26   2.440e+06   20.0
H8   26 H2   26   2.094e+05   20.0
1H2' 26 H8   27   4.723e+06   20.0
H1'  26 H1'  27   1.006e+06   20.0
H1'  26 H8   27   3.150e+06   20.0
H2   26 H1'  27   4.072e+06   20.0
H2   26 H2   27   1.328e+06   20.0
H2   26 H8   27   8.010e+05   20.0
H8   26 H8   27   1.245e+06   20.0
H1'  27 H2   27   7.101e+05   20.0
H1'  27 H8   27   1.681e+06   20.0
1H2' 27 H8   28   1.115e+07   20.0
H1'  27 H1'  28   8.861e+05   39.6
H1'  27 H8   28   2.157e+06   20.0
H2   27 H1'  28   4.435e+06   20.0
H2   27 H8   28   6.266e+05   20.0
H8   27 H8   28   7.622e+05   20.0
1H2' 28 H2   27   1.130e+06   20.0
1H2' 28 H1'  28   6.045e+06   20.0
H1'  28 H8   28   1.925e+06   20.0
1H2' 28 H8   29   6.584e+06   20.0
H1'  28 H1'  29   9.299e+05   20.0
H8   28 H8   29   9.845e+05   20.0
H1'  29 H2   29   9.518e+05   20.0
H1'  29 H8   29   2.677e+06   20.0
H1'  29 H1'  30   1.226e+06   20.0
H2   29 H1'  30   3.424e+06   20.0
H2   29 H8   30   1.102e+06   20.0
H2   29 H6   41   4.970e+05   20.0 inter
H1'  30 H8   30   2.670e+06   20.0
H1'  30 H1'  31   9.144e+05   20.0
H1'  31 H2   29   1.013e+06   20.0
H8   31 H1'  30   9.333e+05   20.0
1H2' 31 H1'  31   7.941e+06   20.0
H1'  31 H8   31   4.813e+06   20.0
1H2' 31 H6   32   5.341e+06   20.0
H1'  31 H1'  32   7.555e+05   20.0
H1'  31 H5   32   2.935e+06   20.0
H1'  31 H6   32   2.407e+06   20.0
H8   31 H5   32   1.419e+06   20.0
H8   31 H6   32   1.309e+06   20.0
H5   32 H6   32   7.173e+06   20.0
H1'  32 H1'  33   8.856e+05   20.0
H1'  33 H8   33   2.672e+06   20.0
H1'  33 H1'  34   8.872e+05   38.7
H1'  33 H5   34   1.970e+06   20.0
H1'  33 H6   34   3.604e+06   20.0
H8   33 H5   34   9.409e+05   20.0
H5   34 H1'  34   1.308e+06   20.0
H5   34 H6   34   4.315e+06   20.0
1H2' 34 H1'  35   1.815e+06   20.0
H1'  34 H1'  35   1.052e+06   20.0
H1'  34 H5   35   2.643e+06   20.0
H5   34 H5   35   2.250e+06   20.0
H6   34 H5   35   9.861e+05   21.9
H1'  34 H2   37   1.304e+06   20.0 inter
H6   35 H5   34   1.165e+06   20.0
1H2' 35 H1'  35   1.000e+07   20.0
1H2' 35 H6   35   4.008e+06   20.0
H1'  35 H5   35   1.844e+06   20.0
H1'  35 H6   35   2.843e+06   20.0
H5   35 H6   35   6.077e+06   20.0
1H2' 36 H1'  36   4.807e+06   20.0
1H2' 36 H8   36   3.564e+06   20.0
H1'  36 H8   36   3.312e+06   20.0
H3'  36 H1'  36   4.698e+06   20.0
H3'  36 H8   36   3.991e+06   20.0
1H2' 36 H1'  37   9.823e+05   20.0
1H2' 36 H8   37   3.084e+06   20.0
H1'  36 H1'  37   9.069e+05   20.0
H1'  36 H8   37   3.274e+06   20.0
H3'  36 H8   37   3.854e+06   20.0
H8   36 H8   37   2.432e+06   20.0
H2   37 H1'  35   2.614e+06   20.0 Pk1: inter Pk2: inter
1H2' 37 H1'  37   6.541e+06   20.0
1H2' 37 H8   37   5.138e+06   20.0
H1'  37 H2   37   7.833e+05   20.0
H1'  37 H8   37   1.863e+06   20.0
1H2' 37 H5   38   4.985e+06   20.0
H1'  37 H1'  38   1.010e+06   20.0
H1'  37 H5   38   2.007e+06   20.0
H1'  37 H6   38   2.543e+06   20.0
H8   37 H5   38   1.112e+06   35.3
H5   38 H2   37   6.679e+05   20.0
H1'  38 H5   38   1.944e+06   20.0
H5   38 H6   38   4.242e+06   20.0
H1'  38 H1'  39   7.042e+05   20.0
1H2' 39 H1'  39   3.510e+06   20.0
1H2' 39 H8   39   2.346e+06   20.0
H1'  39 H8   39   1.789e+06   20.0
1H2' 39 H1'  40   2.020e+06   20.0
1H2' 39 H8   40   2.369e+06   20.0
H1'  39 H1'  40   1.008e+06   40.9
H1'  39 H8   40   1.333e+06   20.0
H1'  40 H8   40   2.256e+06   20.0
1H2' 40 H5   41   5.298e+06   20.0
H1'  40 H5   41   1.186e+06   20.0
H1'  40 H6   41   1.673e+06   20.0
H8   40 H5   41   9.988e+05   20.0
H8   40 H6   41   6.255e+05   20.0
H1'  41 H2   29   2.718e+06   20.0 Pk1: inter Pk2: inter
H1'  41 H1'  40   5.760e+05   20.0
1H2' 41 H1'  41   3.462e+06   20.0
1H2' 41 H5   41   6.771e+05   20.0
H1'  41 H5   41   9.888e+05   20.0
H5   41 H6   41   4.011e+06   20.0
1H2' 41 H5   42   2.115e+06   20.0
1H2' 41 H6   42   3.933e+06   20.0
H5   41 H5   42   1.670e+06   20.0
H6   41 H5   42   1.059e+06   20.0
H5   42 H6   42   4.636e+06   20.0
H1'  42 H1'  43   1.597e+06   20.0
H1'  42 H5   43   3.041e+06   22.1
H5   42 H5   43   1.952e+06   20.0
H1'  43 H2   26   5.760e+05   20.0 Pk1: inter Pk2: inter
H6   43 H2   26   2.585e+05   20.0 inter
H1'  43 H1'  27   2.724e+05   24.3 Pk1: inter Pk2: inter
H1'  43 H2   27   2.760e+06   20.0 Pk1: inter Pk2: inter
H5   43 H2   27   5.115e+05   20.0 Pk1: inter Pk2: inter
H1'  43 H1'  28   5.192e+05   20.0 inter
H1'  43 H6   43   2.074e+06   20.0
H1'  43 H1'  44   8.068e+05   20.0
H6   43 H8   44   1.216e+06   20.0
H1'  44 H2   26   2.392e+06   20.0 Pk1: inter Pk2: inter
H8   44 H2   26   4.536e+05   20.0 Pk1: inter Pk2: inter
H1'  44 H2   27   2.342e+05   20.0 Pk1: inter Pk2: inter
H8   44 H2   27   4.092e+05   20.0 Pk1: inter Pk2: inter
H1'  44 H8   44   1.837e+06   20.0
H1'  44 H1'  45   9.786e+05   20.0
H1'  44 H5   45   2.169e+06   20.0
H1'  44 H6   45   2.565e+06   20.0
H8   44 H5   45   1.926e+06   20.0
H8   44 H6   45   8.218e+05   26.9
H5   45 H2   26   4.194e+05   20.0 Pk1: inter Pk2: inter
H1'  45 H6   45   1.677e+06   20.0
H1'  45 H1'  46   1.396e+06   20.0
H1'  45 H5   46   2.363e+06   20.0
H1'  45 H6   46   2.296e+06   20.0
H5   45 H5   46   3.152e+06   20.0
H5   45 H6   46   1.650e+06   20.0
H6   45 H5   46   1.824e+06   20.0
H6   45 H6   46   6.740e+05   20.0
1H2' 46 H1'  46   6.977e+06   20.0
1H2' 46 H6   46   2.263e+06   20.0
H1'  46 H5   46   2.498e+06   20.0
H1'  46 H6   46   2.548e+06   20.0
H5   46 H6   46   5.916e+06   20.0
1H2' 46 H8   47   4.386e+06   20.0
H1'  46 H8   47   3.687e+06   20.0
H6   46 H8   47   8.269e+05   20.0
1H2' 47 H8   47   3.114e+06   20.0
H1'  47 H8   47   3.228e+06   20.0
H3'  47 H8   47   2.934e+06   20.0
1H2' 47 H1'  48   1.327e+06   20.0
1H2' 47 H8   48   3.809e+06   20.0
H1'  47 H1'  48   7.083e+05   20.0
H1'  47 H8   48   2.629e+06   20.0
H3'  47 H8   48   2.987e+06   20.0
H8   47 H1'  48   3.052e+05   20.0
H8   47 H8   48   1.223e+06   20.0
H1'  48 H2   21   2.221e+05   20.0 inter
H2   48 H2   21   1.959e+06   20.0 Pk1: inter Pk2: inter
1H2' 48 H1'  48   8.059e+06   20.0
1H2' 48 H8   48   3.945e+06   20.0
1H5' 48 H8   48   1.951e+06   20.0
H1'  48 H2   48   9.284e+05   20.0
H1'  48 H8   48   3.692e+06   20.0
H2   48 H8   48   2.132e+05   20.0
H3'  48 H1'  48   5.768e+06   20.0
H3'  48 H8   48   5.272e+06   20.0
H4'  48 H8   48   3.348e+06   20.0
1H2' 48 H1'  49   2.063e+06   20.0
1H2' 48 H8   49   2.677e+06   20.0
H1'  48 H2   49   3.103e+05   20.0
H1'  48 H8   49   1.954e+06   20.0
H2   48 H1'  49   2.106e+06   20.0
H2   48 H8   49   4.859e+05   20.0
H4'  48 H8   49   1.693e+06   20.0
H8   48 H1'  49   3.651e+05   20.0
H8   48 H8   49   1.230e+06   20.0
H1'  48 H8   50   3.299e+05   20.0
H2   48 H8   50   5.414e+05   20.0
H1'  49 H2   21   4.366e+05   20.0 Pk1: inter Pk2: inter
H2   49 H1'  21   3.169e+05   20.0 inter
H2   49 H2   21   2.059e+06   20.0 Pk1: inter Pk2: inter
1H2' 49 H1'  49   8.093e+06   20.0
1H2' 49 H8   49   6.134e+06   20.0
1H5' 49 H8   49   2.597e+06   20.0
2H5' 49 H8   49   2.128e+06   20.0
H1'  49 H2   49   1.047e+06   20.0
H1'  49 H8   49   4.309e+06   20.0
H2   49 H8   49   4.387e+05   20.0
H3'  49 H1'  49   6.058e+06   20.0
H4'  49 H8   49   2.710e+06   20.0
1H2' 49 H8   50   3.114e+06   20.0
H1'  49 H1'  50   5.882e+05   21.3
H1'  49 H8   50   1.782e+06   20.0
H2   49 H1'  50   2.313e+06   20.0
H2   49 H8   50   6.186e+05   20.0
H8   49 H8   50   1.361e+06   20.0
H1'  50 H2   21   2.662e+06   20.0 Pk1: inter Pk2: inter
H1'  50 H1'  22   5.731e+05   31.5 Pk1: inter Pk2: inter
H1'  50 H8   50   2.645e+06   20.0
H1'  50 H1'  51   9.269e+05   20.0
H1'  50 H5   51   3.847e+06   20.0
H1'  50 H6   51   2.221e+06   20.0
H1'  51 H5   51   1.495e+06   20.0
H1'  51 H6   51   2.457e+06   20.0
H5   51 H6   51   5.276e+06   20.0
H1'  51 H1'  52   1.075e+06   20.0
H1'  51 H8   52   3.200e+06   20.0
H5   51 H8   52   1.215e+06   20.0
H6   51 H8   52   1.057e+06   20.0
H1'  52 H8   52   2.133e+06   20.0
H1'  52 H6   53   2.891e+06   20.0
H5   53 H8   52   1.682e+06   20.0
H6   53 H8   52   6.824e+05   20.0
H1'  53 H5   53   2.007e+06   20.0
H1'  53 H6   53   2.014e+06   20.0
H5   53 H6   53   4.368e+06   20.0
H1'  53 H8   54   4.457e+06   20.0
H1'  54 H8   54   3.072e+06   20.0
H1'  54 H1'  55   1.334e+06   20.0
H1'  54 H6   55   2.188e+06   20.0
H1'  55 H6   55   2.701e+06   20.0
H5   55 H6   55   4.642e+06   20.0
H1'  55 H1'  56   9.308e+05   20.0
H1'  55 H8   56   2.570e+06   20.0
H5   55 H8   56   7.768e+05   20.0
H6   55 H8   56   5.854e+05   22.3
H1'  56 H8   56   2.078e+06   20.0
H8   56 H2   56   1.627e+05   20.0
H1'  56 H6   57   2.790e+06   20.0
H2   56 H1'  57   4.929e+06   20.0
H2   56 H6   57   1.286e+06   20.0
H8   56 H5   57   1.580e+06   20.0
H8   56 H6   57   1.545e+06   20.0
1H2' 57 H1'  57   9.756e+06   20.0
H1'  57 H1'  58   8.474e+05   20.0
1H2' 58 H8   58   3.118e+06   20.0
H1'  58 H8   58   2.258e+06   20.0
1H2' 58 H8   59   3.283e+06   20.0
H1'  58 H8   59   3.130e+06   20.0
H8   58 H8   59   1.205e+06   20.0
H1'  59 H8   59   1.804e+06   20.0
H1'  59 H1'  60   1.293e+06   20.0
H1'  59 H5   60   3.039e+06   20.0
H1'  59 H6   60   2.269e+06   20.0
H8   59 H5   60   9.104e+05   20.0
H8   59 H6   60   6.426e+05   20.0
H1'  60 H5   60   1.721e+06   20.0
H5   60 H6   60   4.628e+06   20.0
H1'  60 H1'  61   1.109e+06   20.0
H5   60 H8   61   8.572e+05   20.0
1H2' 61 H1'  61   7.555e+06   20.0
H1'  61 H2   61   8.738e+05   20.0
H1'  61 H8   61   2.440e+06   20.0
H8   61 H2   61   2.094e+05   20.0
1H2' 61 H8   62   4.723e+06   20.0
H1'  61 H1'  62   1.006e+06   20.0
H1'  61 H8   62   3.150e+06   20.0
H2   61 H1'  62   4.072e+06   20.0
H2   61 H2   62   1.328e+06   20.0
H2   61 H8   62   8.010e+05   20.0
H8   61 H8   62   1.245e+06   20.0
H1'  62 H2   62   7.101e+05   20.0
H1'  62 H8   62   1.681e+06   20.0
1H2' 62 H8   63   1.115e+07   20.0
H1'  62 H1'  63   8.861e+05   39.6
H1'  62 H8   63   2.157e+06   20.0
H2   62 H1'  63   4.435e+06   20.0
H2   62 H8   63   6.266e+05   20.0
H8   62 H8   63   7.622e+05   20.0
1H2' 63 H2   62   1.130e+06   20.0
1H2' 63 H1'  63   6.045e+06   20.0
H1'  63 H8   63   1.925e+06   20.0
1H2' 63 H8   64   6.584e+06   20.0
H1'  63 H1'  64   9.299e+05   20.0
H8   63 H8   64   9.845e+05   20.0
H2   64 H6    6   4.970e+05   20.0 inter
H1'  64 H2   64   9.518e+05   20.0
H1'  64 H8   64   2.677e+06   20.0
H1'  64 H1'  65   1.226e+06   20.0
H2   64 H1'  65   3.424e+06   20.0
H2   64 H8   65   1.102e+06   20.0
H1'  65 H8   65   2.670e+06   20.0
H1'  65 H1'  66   9.144e+05   20.0
H1'  66 H2   64   1.013e+06   20.0
H8   66 H1'  65   9.333e+05   20.0
1H2' 66 H1'  66   7.941e+06   20.0
H1'  66 H8   66   4.813e+06   20.0
1H2' 66 H6   67   5.341e+06   20.0
H1'  66 H1'  67   7.555e+05   20.0
H1'  66 H5   67   2.935e+06   20.0
H1'  66 H6   67   2.407e+06   20.0
H8   66 H5   67   1.419e+06   20.0
H8   66 H6   67   1.309e+06   20.0
H5   67 H6   67   7.173e+06   20.0
H1'  67 H1'  68   8.856e+05   20.0
H1'  68 H8   68   2.672e+06   20.0
H1'  68 H1'  69   8.872e+05   38.7
H1'  68 H5   69   1.970e+06   20.0
H1'  68 H6   69   3.604e+06   20.0
H8   68 H5   69   9.409e+05   20.0
H1'  69 H2    2   1.304e+06   20.0 inter
H5   69 H1'  69   1.308e+06   20.0
H5   69 H6   69   4.315e+06   20.0
1H2' 69 H1'  70   1.815e+06   20.0
H1'  69 H1'  70   1.052e+06   20.0
H1'  69 H5   70   2.643e+06   20.0
H5   69 H5   70   2.250e+06   20.0
H6   69 H5   70   9.861e+05   21.9
H6   70 H5   69   1.165e+06   20.0
1H2' 70 H1'  70   1.000e+07   20.0
1H2' 70 H6   70   4.008e+06   20.0
H1'  70 H5   70   1.844e+06   20.0
H1'  70 H6   70   2.843e+06   20.0
H5   70 H6   70   6.077e+06   20.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   3.078 -48.515  57.566
    2   2H5*    G   1          2H5*        G   1   3.431 -49.376  56.049
    3    H4*    G   1           H4*        G   1   5.360 -48.644  58.212
    4    H3*    G   1           H3*        G   1   4.827 -47.224  55.579
    5    H2*    G   1           H2*        G   1   7.268 -46.884  55.387
    6   2HO*    G   1          2HO*        G   1   8.640 -47.201  56.981
    7    H1*    G   1           H1*        G   1   8.059 -49.395  56.034
    8    H8     G   1           H8         G   1   4.804 -49.854  54.097
    9    H1     G   1           H1         G   1  10.055 -49.107  50.494
   10   1H2     G   1          1H2         G   1  11.808 -48.486  51.773
   11   2H2     G   1          2H2         G   1  11.597 -48.287  53.462
   12    H5T    G   1           H5T        G   1   2.685 -50.779  57.716
   13   1H5*    A   2          1H5*        A   2   7.759 -44.917  57.546
   14   2H5*    A   2          2H5*        A   2   7.123 -43.275  57.457
   15    H4*    A   2           H4*        A   2   9.360 -43.350  56.747
   16    H3*    A   2           H3*        A   2   7.382 -42.649  54.524
   17    H2*    A   2           H2*        A   2   9.337 -42.412  53.041
   18   2HO*    A   2          2HO*        A   2  11.325 -42.215  53.722
   19    H1*    A   2           H1*        A   2  10.709 -44.626  53.912
   20    H8     A   2           H8         A   2   7.081 -45.702  53.710
   21   1H6     A   2          1H6         A   2   8.144 -46.816  47.735
   22   2H6     A   2          2H6         A   2   7.026 -46.999  49.044
   23    H2     A   2           H2         A   2  11.694 -44.642  49.412
   24   1H5*    C   3          1H5*        C   3  10.310 -39.815  54.060
   25   2H5*    C   3          2H5*        C   3   9.480 -38.283  53.785
   26    H4*    C   3           H4*        C   3  11.070 -38.821  52.091
   27    H3*    C   3           H3*        C   3   8.164 -38.560  51.178
   28    H2*    C   3           H2*        C   3   8.908 -39.039  48.921
   29   2HO*    C   3          2HO*        C   3  10.874 -38.743  48.222
   30    H1*    C   3           H1*        C   3  10.937 -40.861  49.564
   31   1H4     C   3          1H4         C   3   6.264 -44.447  47.241
   32   2H4     C   3          2H4         C   3   5.577 -44.598  48.823
   33    H5     C   3           H5         C   3   6.411 -43.394  50.754
   34    H6     C   3           H6         C   3   8.101 -41.787  51.517
   35   1H5*    G   4          1H5*        G   4  10.575 -36.091  48.460
   36   2H5*    G   4          2H5*        G   4   9.678 -34.572  48.502
   37    H4*    G   4           H4*        G   4  10.269 -35.242  46.290
   38    H3*    G   4           H3*        G   4   7.281 -35.035  46.874
   39    H2*    G   4           H2*        G   4   6.913 -35.658  44.507
   40   2HO*    G   4          2HO*        G   4   8.397 -35.589  43.025
   41    H1*    G   4           H1*        G   4   8.731 -37.688  44.390
   42    H8     G   4           H8         G   4   7.277 -38.124  47.844
   43    H1     G   4           H1         G   4   3.537 -40.291  43.108
   44   1H2     G   4          1H2         G   4   4.311 -39.590  41.107
   45   2H2     G   4          2H2         G   4   5.723 -38.618  41.037
   46   1H5*    G   5          1H5*        G   5   5.110 -31.781  43.912
   47   2H5*    G   5          2H5*        G   5   4.486 -33.117  44.882
   48    H4*    G   5           H4*        G   5   5.454 -33.236  42.070
   49    H3*    G   5           H3*        G   5   2.577 -33.052  43.072
   50    H2*    G   5           H2*        G   5   1.982 -34.612  41.242
   51   2HO*    G   5          2HO*        G   5   3.238 -35.052  39.609
   52    H1*    G   5           H1*        G   5   4.042 -36.364  41.586
   53    H8     G   5           H8         G   5   3.562 -35.990  45.163
   54    H1     G   5           H1         G   5  -1.522 -38.740  42.388
   55   1H2     G   5          1H2         G   5  -1.454 -38.449  40.152
   56   2H2     G   5          2H2         G   5  -0.149 -37.587  39.448
   57   1H5*    C   6          1H5*        C   6   1.825 -32.689  39.170
   58   2H5*    C   6          2H5*        C   6   0.851 -31.230  38.990
   59    H4*    C   6           H4*        C   6  -0.163 -33.133  37.991
   60    H3*    C   6           H3*        C   6  -1.718 -31.880  40.304
   61    H2*    C   6           H2*        C   6  -3.460 -33.582  39.864
   62   2HO*    C   6          2HO*        C   6  -3.496 -34.814  38.108
   63    H1*    C   6           H1*        C   6  -1.784 -35.719  39.550
   64   1H4     C   6          1H4         C   6  -3.355 -36.040  45.666
   65   2H4     C   6          2H4         C   6  -1.999 -35.050  46.086
   66    H5     C   6           H5         C   6  -0.559 -34.001  44.442
   67    H6     C   6           H6         C   6  -0.167 -33.718  42.037
   68   1H5*    U   7          1H5*        U   7  -4.689 -31.074  37.494
   69   2H5*    U   7          2H5*        U   7  -4.998 -29.343  37.625
   70    H4*    U   7           H4*        U   7  -6.975 -30.554  37.932
   71    H3*    U   7           H3*        U   7  -6.021 -29.137  40.470
   72    H2*    U   7           H2*        U   7  -8.038 -30.006  41.566
   73   2HO*    U   7          2HO*        U   7  -9.738 -30.712  40.541
   74    H1*    U   7           H1*        U   7  -8.012 -32.523  40.426
   75    H3     U   7           H3         U   7  -7.179 -33.482  44.708
   76    H5     U   7           H5         U   7  -3.527 -31.998  43.280
   77    H6     U   7           H6         U   7  -4.637 -31.433  41.223
   78   1H5*    U   8          1H5*        U   8 -10.045 -28.112  39.980
   79   2H5*    U   8          2H5*        U   8 -10.255 -26.447  40.522
   80    H4*    U   8           H4*        U   8 -11.694 -28.087  41.578
   81    H3*    U   8           H3*        U   8  -9.916 -26.356  43.361
   82    H2*    U   8           H2*        U   8 -10.825 -27.509  45.281
   83   2HO*    U   8          2HO*        U   8 -12.684 -28.578  45.278
   84    H1*    U   8           H1*        U   8 -11.157 -30.036  44.097
   85    H3     U   8           H3         U   8  -8.439 -30.760  47.612
   86    H5     U   8           H5         U   8  -5.925 -29.272  44.604
   87    H6     U   8           H6         U   8  -7.887 -28.793  43.296
   88   1H5*    G   9          1H5*        G   9 -14.162 -26.276  44.640
   89   2H5*    G   9          2H5*        G   9 -14.436 -24.608  45.142
   90    H4*    G   9           H4*        G   9 -15.281 -26.220  46.705
   91    H3*    G   9           H3*        G   9 -13.151 -24.296  47.721
   92    H2*    G   9           H2*        G   9 -13.340 -25.427  49.913
   93   2HO*    G   9          2HO*        G   9 -14.913 -26.752  50.432
   94    H1*    G   9           H1*        G   9 -13.311 -27.989  49.012
   95    H8     G   9           H8         G   9 -10.930 -26.034  46.746
   96    H1     G   9           H1         G   9  -8.403 -28.105  52.262
   97   1H2     G   9          1H2         G   9 -10.016 -28.919  53.614
   98   2H2     G   9          2H2         G   9 -11.649 -28.912  53.085
   99   1H5*    C  10          1H5*        C  10 -15.951 -24.325  50.791
  100   2H5*    C  10          2H5*        C  10 -16.225 -22.625  51.173
  101    H4*    C  10           H4*        C  10 -15.709 -23.826  53.115
  102    H3*    C  10           H3*        C  10 -13.543 -21.822  52.315
  103    H2*    C  10           H2*        C  10 -12.344 -22.519  54.362
  104   2HO*    C  10          2HO*        C  10 -13.230 -23.613  55.940
  105    H1*    C  10           H1*        C  10 -12.751 -25.215  54.104
  106   1H4     C  10          1H4         C  10  -7.086 -24.510  51.413
  107   2H4     C  10          2H4         C  10  -7.810 -24.023  49.918
  108    H5     C  10           H5         C  10 -10.196 -23.694  49.642
  109    H6     C  10           H6         C  10 -12.361 -23.780  50.794
  110   1H5*    U  11          1H5*        U  11 -13.996 -20.997  56.267
  111   2H5*    U  11          2H5*        U  11 -13.953 -19.242  56.442
  112    H4*    U  11           H4*        U  11 -12.304 -20.283  57.772
  113    H3*    U  11           H3*        U  11 -11.199 -18.532  55.525
  114    H2*    U  11           H2*        U  11  -8.948 -19.089  56.395
  115   2HO*    U  11          2HO*        U  11  -8.586 -19.899  58.292
  116    H1*    U  11           H1*        U  11  -9.367 -21.763  56.760
  117    H3     U  11           H3         U  11  -6.695 -21.759  53.181
  118    H5     U  11           H5         U  11 -10.475 -20.826  51.624
  119    H6     U  11           H6         U  11 -11.294 -20.682  53.882
  120   1H5*    G  12          1H5*        G  12  -9.195 -17.783  59.446
  121   2H5*    G  12          2H5*        G  12  -9.256 -16.022  59.494
  122    H4*    G  12           H4*        G  12  -7.153 -16.894  60.185
  123    H3*    G  12           H3*        G  12  -7.096 -15.142  57.677
  124    H2*    G  12           H2*        G  12  -4.657 -15.455  57.667
  125   2HO*    G  12          2HO*        G  12  -3.538 -16.037  59.326
  126    H1*    G  12           H1*        G  12  -4.640 -18.132  58.334
  127    H8     G  12           H8         G  12  -7.402 -17.899  55.783
  128    H1     G  12           H1         G  12  -1.502 -17.789  53.277
  129   1H2     G  12          1H2         G  12   0.039 -17.492  54.898
  130   2H2     G  12          2H2         G  12  -0.465 -17.337  56.530
  131   1H5*    A  13          1H5*        A  13  -3.157 -12.853  61.327
  132   2H5*    A  13          2H5*        A  13  -4.008 -11.654  60.355
  133    H4*    A  13           H4*        A  13  -1.495 -12.960  59.981
  134    H3*    A  13           H3*        A  13  -2.701 -10.379  59.058
  135    H2*    A  13           H2*        A  13  -1.873 -10.523  56.906
  136   2HO*    A  13          2HO*        A  13   0.261 -11.405  56.575
  137    H1*    A  13           H1*        A  13  -0.769 -13.265  57.131
  138    H8     A  13           H8         A  13  -4.438 -12.520  56.196
  139   1H6     A  13          1H6         A  13  -2.652 -13.739  50.417
  140   2H6     A  13          2H6         A  13  -3.995 -13.388  51.451
  141    H2     A  13           H2         A  13   0.986 -13.758  53.046
  142   1H5*    A  14          1H5*        A  14   2.426  -7.593  59.406
  143   2H5*    A  14          2H5*        A  14   1.152  -7.658  58.188
  144    H4*    A  14           H4*        A  14   3.546  -9.420  58.422
  145    H3*    A  14           H3*        A  14   3.849  -7.007  57.297
  146    H2*    A  14           H2*        A  14   1.906  -7.095  55.761
  147   2HO*    A  14          2HO*        A  14   3.417  -6.560  54.424
  148    H1*    A  14           H1*        A  14   2.798  -9.864  54.907
  149    H8     A  14           H8         A  14  -0.526  -8.602  56.500
  150   1H6     A  14          1H6         A  14  -3.085 -10.506  51.220
  151   2H6     A  14          2H6         A  14  -3.379  -9.823  52.782
  152    H2     A  14           H2         A  14   1.351 -11.122  50.934
  153   1H5*    G  15          1H5*        G  15   7.239  -6.710  53.453
  154   2H5*    G  15          2H5*        G  15   5.481  -6.647  53.324
  155    H4*    G  15           H4*        G  15   7.373  -8.584  52.103
  156    H3*    G  15           H3*        G  15   5.716  -6.371  50.806
  157    H2*    G  15           H2*        G  15   5.476  -7.883  48.859
  158   2HO*    G  15          2HO*        G  15   6.645  -9.628  48.563
  159    H1*    G  15           H1*        G  15   4.922 -10.163  50.252
  160    H8     G  15           H8         G  15   2.909  -7.952  52.391
  161    H1     G  15           H1         G  15   0.395  -8.638  46.534
  162   1H2     G  15          1H2         G  15   1.908  -9.545  45.126
  163   2H2     G  15          2H2         G  15   3.472  -9.941  45.705
  164   1H5*    C  16          1H5*        C  16   8.684  -6.551  47.815
  165   2H5*    C  16          2H5*        C  16   9.094  -4.870  47.470
  166    H4*    C  16           H4*        C  16   8.362  -6.061  45.543
  167    H3*    C  16           H3*        C  16   6.616  -3.693  46.378
  168    H2*    C  16           H2*        C  16   5.235  -4.179  44.399
  169   2HO*    C  16          2HO*        C  16   5.860  -5.387  42.782
  170    H1*    C  16           H1*        C  16   5.234  -6.923  44.632
  171   1H4     C  16          1H4         C  16  -0.252  -5.337  47.326
  172   2H4     C  16          2H4         C  16   0.539  -4.997  48.828
  173    H5     C  16           H5         C  16   2.946  -5.062  49.106
  174    H6     C  16           H6         C  16   5.070  -5.478  47.949
  175   1H5*    G  17          1H5*        G  17   7.298  -3.250  42.164
  176   2H5*    G  17          2H5*        G  17   7.517  -1.512  41.950
  177    H4*    G  17           H4*        G  17   5.862  -2.398  40.503
  178    H3*    G  17           H3*        G  17   4.842  -0.368  42.550
  179    H2*    G  17           H2*        G  17   2.626  -0.627  41.503
  180   2HO*    G  17          2HO*        G  17   2.303  -1.506  39.605
  181    H1*    G  17           H1*        G  17   2.693  -3.359  41.204
  182    H8     G  17           H8         G  17   4.144  -2.351  44.624
  183    H1     G  17           H1         G  17  -2.210  -3.179  44.420
  184   1H2     G  17          1H2         G  17  -2.902  -3.458  42.290
  185   2H2     G  17          2H2         G  17  -1.755  -3.429  41.016
  186   1H5*    C  18          1H5*        C  18   3.374   0.772  38.637
  187   2H5*    C  18          2H5*        C  18   3.439   2.535  38.637
  188    H4*    C  18           H4*        C  18   1.314   1.708  37.977
  189    H3*    C  18           H3*        C  18   1.330   3.344  40.559
  190    H2*    C  18           H2*        C  18  -1.119   3.033  40.607
  191   2HO*    C  18          2HO*        C  18  -2.265   2.492  38.957
  192    H1*    C  18           H1*        C  18  -1.148   0.380  39.921
  193   1H4     C  18          1H4         C  18  -1.330  -0.063  46.201
  194   2H4     C  18          2H4         C  18   0.339   0.374  46.342
  195    H5     C  18           H5         C  18   1.713   0.998  44.445
  196    H6     C  18           H6         C  18   1.715   1.318  42.012
  197   1H5*    G  19          1H5*        G  19  -1.415   5.853  38.124
  198   2H5*    G  19          2H5*        G  19  -1.361   7.379  39.008
  199    H4*    G  19           H4*        G  19  -3.523   6.141  38.872
  200    H3*    G  19           H3*        G  19  -2.472   7.246  41.518
  201    H2*    G  19           H2*        G  19  -4.527   6.333  42.554
  202   2HO*    G  19          2HO*        G  19  -6.225   5.731  41.474
  203    H1*    G  19           H1*        G  19  -4.496   3.904  41.309
  204    H8     G  19           H8         G  19  -0.839   4.573  42.036
  205    H1     G  19           H1         G  19  -4.217   2.447  47.053
  206   1H2     G  19          1H2         G  19  -6.426   2.485  46.591
  207   2H2     G  19          2H2         G  19  -6.961   3.035  45.058
  208   1H5*    C  20          1H5*        C  20  -5.446  10.520  41.177
  209   2H5*    C  20          2H5*        C  20  -4.753  11.663  42.327
  210    H4*    C  20           H4*        C  20  -6.797  10.271  42.916
  211    H3*    C  20           H3*        C  20  -4.499  10.818  44.859
  212    H2*    C  20           H2*        C  20  -5.747   9.465  46.501
  213   2HO*    C  20          2HO*        C  20  -7.796   8.896  46.265
  214    H1*    C  20           H1*        C  20  -6.516   7.458  44.792
  215   1H4     C  20          1H4         C  20  -1.318   5.017  47.409
  216   2H4     C  20          2H4         C  20  -0.303   5.896  46.317
  217    H5     C  20           H5         C  20  -1.153   7.511  44.721
  218    H6     C  20           H6         C  20  -3.190   8.589  43.880
  219   1H5*    A  21          1H5*        A  21  -7.477  13.854  46.700
  220   2H5*    A  21          2H5*        A  21  -6.344  15.157  47.059
  221    H4*    A  21           H4*        A  21  -7.607  14.255  48.963
  222    H3*    A  21           H3*        A  21  -4.575  14.433  49.089
  223    H2*    A  21           H2*        A  21  -4.716  13.424  51.343
  224   2HO*    A  21          2HO*        A  21  -6.542  13.201  52.430
  225    H1*    A  21           H1*        A  21  -6.460  11.431  50.759
  226    H8     A  21           H8         A  21  -4.701  11.193  47.560
  227   1H6     A  21          1H6         A  21   0.012   8.531  50.520
  228   2H6     A  21          2H6         A  21  -0.695   8.868  48.977
  229    H2     A  21           H2         A  21  -2.721  10.350  53.580
  230   1H5*    C  22          1H5*        C  22  -5.450  15.425  52.875
  231   2H5*    C  22          2H5*        C  22  -4.874  17.086  53.013
  232    H4*    C  22           H4*        C  22  -4.161  15.723  54.835
  233    H3*    C  22           H3*        C  22  -1.962  16.903  53.093
  234    H2*    C  22           H2*        C  22  -0.337  15.761  54.567
  235   2HO*    C  22          2HO*        C  22  -0.828  14.923  56.448
  236    H1*    C  22           H1*        C  22  -1.567  13.344  54.682
  237   1H4     C  22          1H4         C  22   2.354  12.908  49.706
  238   2H4     C  22          2H4         C  22   0.990  13.071  48.652
  239    H5     C  22           H5         C  22  -1.242  13.593  49.440
  240    H6     C  22           H6         C  22  -2.585  14.063  51.440
  241   1H5*    G  23          1H5*        G  23  -0.705  17.746  56.743
  242   2H5*    G  23          2H5*        G  23  -0.310  19.457  56.911
  243    H4*    G  23           H4*        G  23   1.429  17.961  57.637
  244    H3*    G  23           H3*        G  23   2.125  19.924  55.399
  245    H2*    G  23           H2*        G  23   4.412  18.989  55.485
  246   2HO*    G  23          2HO*        G  23   5.162  17.847  57.079
  247    H1*    G  23           H1*        G  23   3.704  16.350  55.664
  248    H8     G  23           H8         G  23   1.183  17.057  53.149
  249    H1     G  23           H1         G  23   7.106  17.784  50.802
  250   1H2     G  23          1H2         G  23   8.611  17.901  52.479
  251   2H2     G  23          2H2         G  23   8.079  17.791  54.106
  252   1H5*    G  24          1H5*        G  24   4.972  21.208  58.072
  253   2H5*    G  24          2H5*        G  24   5.038  22.967  57.976
  254    H4*    G  24           H4*        G  24   7.105  21.867  57.421
  255    H3*    G  24           H3*        G  24   5.854  23.643  55.270
  256    H2*    G  24           H2*        G  24   7.826  23.106  53.881
  257   2HO*    G  24          2HO*        G  24   9.613  22.311  54.627
  258    H1*    G  24           H1*        G  24   7.924  20.426  54.435
  259    H8     G  24           H8         G  24   4.232  20.856  54.104
  260    H1     G  24           H1         G  24   7.338  21.058  48.500
  261   1H2     G  24          1H2         G  24   9.559  21.270  48.836
  262   2H2     G  24          2H2         G  24  10.171  21.351  50.435
  263   1H5*    C  25          1H5*        C  25   9.803  25.156  55.429
  264   2H5*    C  25          2H5*        C  25   9.597  26.906  55.368
  265    H4*    C  25           H4*        C  25  11.080  26.058  53.694
  266    H3*    C  25           H3*        C  25   8.581  27.503  52.684
  267    H2*    C  25           H2*        C  25   9.448  27.132  50.408
  268   2HO*    C  25          2HO*        C  25  11.446  26.594  49.970
  269    H1*    C  25           H1*        C  25  10.303  24.545  50.772
  270   1H4     C  25          1H4         C  25   4.593  23.823  48.153
  271   2H4     C  25          2H4         C  25   3.849  23.838  49.716
  272    H5     C  25           H5         C  25   5.069  24.285  51.762
  273    H6     C  25           H6         C  25   7.282  24.813  52.683
  274   1H5*    A  26          1H5*        A  26  12.050  29.117  50.581
  275   2H5*    A  26          2H5*        A  26  11.699  30.843  50.503
  276    H4*    A  26           H4*        A  26  12.310  29.855  48.393
  277    H3*    A  26           H3*        A  26   9.574  31.206  48.563
  278    H2*    A  26           H2*        A  26   9.312  30.650  46.166
  279   2HO*    A  26          2HO*        A  26  10.903  30.040  44.911
  280    H1*    A  26           H1*        A  26  10.255  28.086  46.299
  281    H8     A  26           H8         A  26   8.176  28.686  49.441
  282   1H6     A  26          1H6         A  26   3.337  26.904  46.053
  283   2H6     A  26          2H6         A  26   3.895  27.309  47.640
  284    H2     A  26           H2         A  26   6.876  27.345  43.327
  285   1H5*    A  27          1H5*        A  27  11.528  32.744  45.058
  286   2H5*    A  27          2H5*        A  27  10.841  34.346  44.793
  287    H4*    A  27           H4*        A  27  10.629  32.638  42.996
  288    H3*    A  27           H3*        A  27   8.216  34.273  43.920
  289    H2*    A  27           H2*        A  27   6.908  33.063  42.224
  290   2HO*    A  27          2HO*        A  27   7.725  32.119  40.572
  291    H1*    A  27           H1*        A  27   7.999  30.569  42.645
  292    H8     A  27           H8         A  27   7.478  31.898  46.124
  293   1H6     A  27          1H6         A  27   1.605  30.086  45.585
  294   2H6     A  27          2H6         A  27   2.825  30.667  46.667
  295    H2     A  27           H2         A  27   3.542  29.796  41.546
  296   1H5*    G  28          1H5*        G  28   6.281  36.853  40.256
  297   2H5*    G  28          2H5*        G  28   5.586  36.131  41.707
  298    H4*    G  28           H4*        G  28   5.622  35.034  38.924
  299    H3*    G  28           H3*        G  28   3.398  36.351  40.451
  300    H2*    G  28           H2*        G  28   1.905  34.549  39.817
  301   2HO*    G  28          2HO*        G  28   2.276  33.168  38.242
  302    H1*    G  28           H1*        G  28   3.429  32.361  40.267
  303    H8     G  28           H8         G  28   4.860  34.016  43.137
  304    H1     G  28           H1         G  28  -1.384  32.813  43.952
  305   1H2     G  28          1H2         G  28  -2.359  32.326  41.975
  306   2H2     G  28          2H2         G  28  -1.415  32.321  40.543
  307   1H5*    A  29          1H5*        A  29   1.551  36.996  36.844
  308   2H5*    A  29          2H5*        A  29   1.138  38.708  36.761
  309    H4*    A  29           H4*        A  29  -0.759  37.257  36.718
  310    H3*    A  29           H3*        A  29  -0.593  39.235  39.034
  311    H2*    A  29           H2*        A  29  -2.614  38.333  39.935
  312   2HO*    A  29          2HO*        A  29  -3.077  37.315  37.366
  313    H1*    A  29           H1*        A  29  -2.341  35.677  38.966
  314    H8     A  29           H8         A  29   0.679  35.759  40.927
  315   1H6     A  29          1H6         A  29  -2.693  35.569  46.090
  316   2H6     A  29          2H6         A  29  -1.111  35.385  45.412
  317    H2     A  29           H2         A  29  -5.412  36.607  42.674
  318   1H5*    G  30          1H5*        G  30  -3.887  40.237  38.007
  319   2H5*    G  30          2H5*        G  30  -4.123  41.817  37.260
  320    H4*    G  30           H4*        G  30  -4.828  42.794  39.166
  321    H3*    G  30           H3*        G  30  -2.875  41.613  40.663
  322    H2*    G  30           H2*        G  30  -3.928  39.425  40.942
  323   2HO*    G  30          2HO*        G  30  -4.824  39.360  42.903
  324    H1*    G  30           H1*        G  30  -6.607  40.817  41.338
  325    H8     G  30           H8         G  30  -6.105  38.433  38.405
  326    H1     G  30           H1         G  30  -8.971  35.905  43.554
  327   1H2     G  30          1H2         G  30  -8.856  37.329  45.300
  328   2H2     G  30          2H2         G  30  -8.075  38.845  45.108
  329   1H5*    G  31          1H5*        G  31  -4.761  45.666  44.369
  330   2H5*    G  31          2H5*        G  31  -3.246  44.768  44.275
  331    H4*    G  31           H4*        G  31  -5.750  43.423  43.521
  332    H3*    G  31           H3*        G  31  -5.515  44.479  46.219
  333    H2*    G  31           H2*        G  31  -4.531  42.584  47.170
  334   2HO*    G  31          2HO*        G  31  -6.805  41.246  46.222
  335    H1*    G  31           H1*        G  31  -5.303  40.809  44.814
  336    H8     G  31           H8         G  31  -1.705  41.330  44.716
  337    H1     G  31           H1         G  31  -3.406  36.702  48.815
  338   1H2     G  31          1H2         G  31  -5.619  36.805  49.247
  339   2H2     G  31          2H2         G  31  -6.574  38.016  48.496
  340   1H5*    C  32          1H5*        C  32 -10.889  44.739  46.158
  341   2H5*    C  32          2H5*        C  32  -9.509  43.876  46.838
  342    H4*    C  32           H4*        C  32 -11.457  42.784  44.859
  343    H3*    C  32           H3*        C  32 -11.609  42.596  47.879
  344    H2*    C  32           H2*        C  32 -12.210  40.224  47.625
  345   2HO*    C  32          2HO*        C  32 -12.852  39.346  45.821
  346    H1*    C  32           H1*        C  32 -10.347  39.503  45.798
  347   1H4     C  32          1H4         C  32  -7.379  38.451  51.278
  348   2H4     C  32          2H4         C  32  -6.640  40.014  51.187
  349    H5     C  32           H5         C  32  -7.193  41.647  49.483
  350    H6     C  32           H6         C  32  -8.595  42.068  47.513
  351   1H5*    G  33          1H5*        G  33 -15.547  41.638  47.785
  352   2H5*    G  33          2H5*        G  33 -16.332  42.923  48.703
  353    H4*    G  33           H4*        G  33 -16.760  40.885  49.746
  354    H3*    G  33           H3*        G  33 -14.898  42.675  51.350
  355    H2*    G  33           H2*        G  33 -14.799  40.874  53.043
  356   2HO*    G  33          2HO*        G  33 -16.120  39.218  53.091
  357    H1*    G  33           H1*        G  33 -14.407  38.787  51.356
  358    H8     G  33           H8         G  33 -12.364  41.262  49.492
  359    H1     G  33           H1         G  33  -9.620  39.315  54.949
  360   1H2     G  33          1H2         G  33 -11.116  38.223  56.240
  361   2H2     G  33          2H2         G  33 -12.727  38.025  55.686
  362   1H5*    U  34          1H5*        U  34 -17.504  41.095  54.175
  363   2H5*    U  34          2H5*        U  34 -18.116  42.496  55.056
  364    H4*    U  34           H4*        U  34 -17.355  40.811  56.523
  365    H3*    U  34           H3*        U  34 -15.744  43.407  56.628
  366    H2*    U  34           H2*        U  34 -14.418  42.345  58.424
  367   2HO*    U  34          2HO*        U  34 -15.011  40.596  59.459
  368    H1*    U  34           H1*        U  34 -14.146  39.887  57.249
  369    H3     U  34           H3         U  34  -9.996  41.473  56.855
  370    H5     U  34           H5         U  34 -12.115  43.449  53.823
  371    H6     U  34           H6         U  34 -14.135  42.478  54.697
  372   1H5*    C  35          1H5*        C  35 -16.343  42.680  60.735
  373   2H5*    C  35          2H5*        C  35 -17.030  44.212  61.275
  374    H4*    C  35           H4*        C  35 -15.281  43.663  62.672
  375    H3*    C  35           H3*        C  35 -14.541  45.997  60.838
  376    H2*    C  35           H2*        C  35 -12.381  46.064  61.987
  377   2HO*    C  35          2HO*        C  35 -11.997  45.134  63.867
  378    H1*    C  35           H1*        C  35 -12.012  43.326  62.231
  379   1H4     C  35          1H4         C  35  -8.364  44.785  57.288
  380   2H4     C  35          2H4         C  35  -9.727  44.745  56.221
  381    H5     C  35           H5         C  35 -12.004  44.423  56.989
  382    H6     C  35           H6         C  35 -13.402  44.076  58.975
  383    H3T    C  35           H3T        C  35 -14.575  46.616  63.289
  384   1H5*    G  36          1H5*        G  36   2.124  44.097  59.582
  385   2H5*    G  36          2H5*        G  36   0.810  44.983  58.773
  386    H4*    G  36           H4*        G  36   0.990  44.240  61.664
  387    H3*    G  36           H3*        G  36  -0.541  42.853  59.436
  388    H2*    G  36           H2*        G  36  -2.393  42.540  61.043
  389   2HO*    G  36          2HO*        G  36  -2.208  42.842  63.139
  390    H1*    G  36           H1*        G  36  -2.440  45.049  62.069
  391    H8     G  36           H8         G  36  -1.541  45.539  58.401
  392    H1     G  36           H1         G  36  -7.796  44.799  59.601
  393   1H2     G  36          1H2         G  36  -8.118  44.149  61.738
  394   2H2     G  36          2H2         G  36  -6.766  43.931  62.771
  395    H5T    G  36           H5T        G  36   2.546  46.355  59.412
  396   1H5*    A  37          1H5*        A  37  -1.267  40.500  62.840
  397   2H5*    A  37          2H5*        A  37  -0.878  38.867  62.300
  398    H4*    A  37           H4*        A  37  -2.975  38.912  63.345
  399    H3*    A  37           H3*        A  37  -3.120  38.320  60.348
  400    H2*    A  37           H2*        A  37  -5.557  38.086  60.650
  401   2HO*    A  37          2HO*        A  37  -6.501  37.833  62.521
  402    H1*    A  37           H1*        A  37  -5.916  40.246  62.308
  403    H8     A  37           H8         A  37  -3.453  41.403  59.670
  404   1H6     A  37          1H6         A  37  -8.378  42.669  56.177
  405   2H6     A  37          2H6         A  37  -6.664  42.838  56.340
  406    H2     A  37           H2         A  37  -9.762  40.371  59.776
  407   1H5*    C  38          1H5*        C  38  -5.535  35.444  61.968
  408   2H5*    C  38          2H5*        C  38  -5.154  33.933  61.144
  409    H4*    C  38           H4*        C  38  -7.469  34.491  61.073
  410    H3*    C  38           H3*        C  38  -6.049  34.312  58.372
  411    H2*    C  38           H2*        C  38  -8.161  34.842  57.308
  412   2HO*    C  38          2HO*        C  38 -10.052  34.530  58.184
  413    H1*    C  38           H1*        C  38  -9.138  36.606  59.253
  414   1H4     C  38          1H4         C  38  -7.421  40.338  54.435
  415   2H4     C  38          2H4         C  38  -5.823  40.466  55.087
  416    H5     C  38           H5         C  38  -5.069  39.198  57.011
  417    H6     C  38           H6         C  38  -5.746  37.537  58.686
  418   1H5*    G  39          1H5*        G  39  -9.627  31.899  57.945
  419   2H5*    G  39          2H5*        G  39  -8.985  30.410  57.251
  420    H4*    G  39           H4*        G  39 -10.906  31.245  56.097
  421    H3*    G  39           H3*        G  39  -8.330  31.044  54.464
  422    H2*    G  39           H2*        G  39  -9.663  31.836  52.535
  423   2HO*    G  39          2HO*        G  39 -11.768  31.851  52.481
  424    H1*    G  39           H1*        G  39 -11.019  33.819  53.842
  425    H8     G  39           H8         G  39  -7.581  34.137  55.336
  426    H1     G  39           H1         G  39  -8.103  36.558  49.421
  427   1H2     G  39          1H2         G  39 -10.050  35.920  48.476
  428   2H2     G  39          2H2         G  39 -11.133  34.924  49.355
  429   1H5*    G  40          1H5*        G  40  -8.525  27.989  50.780
  430   2H5*    G  40          2H5*        G  40  -7.499  29.384  51.112
  431    H4*    G  40           H4*        G  40 -10.068  29.378  49.603
  432    H3*    G  40           H3*        G  40  -7.241  29.253  48.487
  433    H2*    G  40           H2*        G  40  -7.990  30.808  46.716
  434   2HO*    G  40          2HO*        G  40 -10.016  31.244  46.303
  435    H1*    G  40           H1*        G  40  -9.324  32.565  48.301
  436    H8     G  40           H8         G  40  -6.649  32.052  50.740
  437    H1     G  40           H1         G  40  -4.564  35.055  45.472
  438   1H2     G  40          1H2         G  40  -6.072  34.863  43.805
  439   2H2     G  40          2H2         G  40  -7.530  33.999  44.074
  440   1H5*    C  41          1H5*        C  41  -9.317  28.956  45.081
  441   2H5*    C  41          2H5*        C  41  -8.747  27.496  44.272
  442    H4*    C  41           H4*        C  41  -8.698  29.403  42.855
  443    H3*    C  41           H3*        C  41  -5.979  28.137  43.443
  444    H2*    C  41           H2*        C  41  -5.021  29.840  41.924
  445   2HO*    C  41          2HO*        C  41  -6.208  31.080  40.637
  446    H1*    C  41           H1*        C  41  -6.443  31.980  42.861
  447   1H4     C  41          1H4         C  41  -1.088  32.316  46.200
  448   2H4     C  41          2H4         C  41  -1.748  31.271  47.413
  449    H5     C  41           H5         C  41  -3.904  30.184  47.200
  450    H6     C  41           H6         C  41  -5.854  29.907  45.737
  451   1H5*    U  42          1H5*        U  42  -5.681  27.994  39.370
  452   2H5*    U  42          2H5*        U  42  -5.443  26.291  38.978
  453    H4*    U  42           H4*        U  42  -3.796  27.502  37.924
  454    H3*    U  42           H3*        U  42  -2.654  25.944  40.296
  455    H2*    U  42           H2*        U  42  -0.457  26.842  39.672
  456   2HO*    U  42          2HO*        U  42   0.009  27.629  37.782
  457    H1*    U  42           H1*        U  42  -1.283  29.400  39.027
  458    H3     U  42           H3         U  42   1.225  30.129  42.656
  459    H5     U  42           H5         U  42  -2.379  28.639  44.196
  460    H6     U  42           H6         U  42  -3.082  28.194  41.939
  461   1H5*    U  43          1H5*        U  43  -0.170  24.987  37.085
  462   2H5*    U  43          2H5*        U  43   0.331  23.307  37.274
  463    H4*    U  43           H4*        U  43   2.130  24.916  37.102
  464    H3*    U  43           H3*        U  43   2.034  23.125  39.576
  465    H2*    U  43           H2*        U  43   4.033  24.223  40.372
  466   2HO*    U  43          2HO*        U  43   5.406  25.284  39.123
  467    H1*    U  43           H1*        U  43   3.504  26.787  39.349
  468    H3     U  43           H3         U  43   3.950  27.408  43.782
  469    H5     U  43           H5         U  43   0.045  25.963  43.297
  470    H6     U  43           H6         U  43   0.563  25.534  40.988
  471   1H5*    G  44          1H5*        G  44   5.993  23.015  37.531
  472   2H5*    G  44          2H5*        G  44   6.497  21.329  37.666
  473    H4*    G  44           H4*        G  44   8.234  22.898  38.217
  474    H3*    G  44           H3*        G  44   7.397  20.923  40.374
  475    H2*    G  44           H2*        G  44   9.082  21.981  41.843
  476   2HO*    G  44          2HO*        G  44  10.585  23.314  41.154
  477    H1*    G  44           H1*        G  44   8.469  24.572  41.313
  478    H8     G  44           H8         G  44   5.152  22.669  41.265
  479    H1     G  44           H1         G  44   7.200  24.488  47.062
  480   1H2     G  44          1H2         G  44   9.313  25.273  46.942
  481   2H2     G  44          2H2         G  44  10.119  25.312  45.428
  482   1H5*    C  45          1H5*        C  45  11.555  20.883  40.616
  483   2H5*    C  45          2H5*        C  45  11.984  19.173  40.646
  484    H4*    C  45           H4*        C  45  12.987  20.307  42.436
  485    H3*    C  45           H3*        C  45  10.852  18.297  43.304
  486    H2*    C  45           H2*        C  45  11.427  18.908  45.629
  487   2HO*    C  45          2HO*        C  45  13.175  19.964  46.181
  488    H1*    C  45           H1*        C  45  11.571  21.617  45.253
  489   1H4     C  45          1H4         C  45   5.625  20.914  47.248
  490   2H4     C  45          2H4         C  45   5.098  20.481  45.657
  491    H5     C  45           H5         C  45   6.612  20.195  43.786
  492    H6     C  45           H6         C  45   8.969  20.277  43.107
  493   1H5*    U  46          1H5*        U  46  13.935  17.338  45.780
  494   2H5*    U  46          2H5*        U  46  14.002  15.577  45.871
  495    H4*    U  46           H4*        U  46  13.772  16.545  48.012
  496    H3*    U  46           H3*        U  46  11.388  14.857  47.119
  497    H2*    U  46           H2*        U  46  10.393  15.349  49.333
  498   2HO*    U  46          2HO*        U  46  11.470  16.079  50.971
  499    H1*    U  46           H1*        U  46  10.979  18.014  49.395
  500    H3     U  46           H3         U  46   6.571  18.100  48.690
  501    H5     U  46           H5         U  46   8.182  17.258  44.912
  502    H6     U  46           H6         U  46  10.342  17.051  45.954
  503   1H5*    G  47          1H5*        G  47  12.679  13.931  51.292
  504   2H5*    G  47          2H5*        G  47  12.728  12.170  51.221
  505    H4*    G  47           H4*        G  47  11.712  12.990  53.211
  506    H3*    G  47           H3*        G  47   9.902  11.325  51.392
  507    H2*    G  47           H2*        G  47   8.148  11.607  53.093
  508   2HO*    G  47          2HO*        G  47   8.507  12.102  55.080
  509    H1*    G  47           H1*        G  47   8.637  14.257  53.674
  510    H8     G  47           H8         G  47   8.842  14.158  49.916
  511    H1     G  47           H1         G  47   2.860  14.032  52.217
  512   1H2     G  47          1H2         G  47   2.877  13.652  54.442
  513   2H2     G  47          2H2         G  47   4.374  13.449  55.255
  514   1H5*    A  48          1H5*        A  48   9.583   8.801  56.652
  515   2H5*    A  48          2H5*        A  48   9.494   7.670  55.302
  516    H4*    A  48           H4*        A  48   7.452   8.957  56.840
  517    H3*    A  48           H3*        A  48   7.637   6.421  55.262
  518    H2*    A  48           H2*        A  48   5.561   6.636  54.274
  519   2HO*    A  48          2HO*        A  48   3.799   7.499  55.545
  520    H1*    A  48           H1*        A  48   4.957   9.350  55.312
  521    H8     A  48           H8         A  48   6.923   8.693  52.057
  522   1H6     A  48          1H6         A  48   1.640  10.125  49.212
  523   2H6     A  48          2H6         A  48   3.315   9.748  49.002
  524    H2     A  48           H2         A  48   0.864   9.992  53.631
  525   1H5*    A  49          1H5*        A  49   4.156   3.546  58.960
  526   2H5*    A  49          2H5*        A  49   4.240   3.677  57.203
  527    H4*    A  49           H4*        A  49   2.691   5.393  59.088
  528    H3*    A  49           H3*        A  49   1.666   3.014  58.397
  529    H2*    A  49           H2*        A  49   2.002   3.190  55.948
  530   2HO*    A  49          2HO*        A  49  -0.022   2.682  56.012
  531    H1*    A  49           H1*        A  49   0.808   5.975  56.059
  532    H8     A  49           H8         A  49   4.290   4.710  54.849
  533   1H6     A  49          1H6         A  49   2.490   6.846  49.347
  534   2H6     A  49          2H6         A  49   3.778   6.113  50.240
  535    H2     A  49           H2         A  49  -0.894   7.398  52.243
  536   1H5*    G  50          1H5*        G  50  -3.442   2.788  57.973
  537   2H5*    G  50          2H5*        G  50  -2.257   2.783  56.667
  538    H4*    G  50           H4*        G  50  -4.444   4.728  57.183
  539    H3*    G  50           H3*        G  50  -4.198   2.589  55.017
  540    H2*    G  50           H2*        G  50  -5.355   4.180  53.512
  541   2HO*    G  50          2HO*        G  50  -6.366   5.923  54.182
  542    H1*    G  50           H1*        G  50  -3.948   6.411  54.212
  543    H8     G  50           H8         G  50  -1.047   4.158  54.252
  544    H1     G  50           H1         G  50  -3.331   5.085  48.334
  545   1H2     G  50          1H2         G  50  -5.385   6.016  48.418
  546   2H2     G  50          2H2         G  50  -6.095   6.368  49.938
  547   1H5*    C  51          1H5*        C  51  -8.404   2.855  54.940
  548   2H5*    C  51          2H5*        C  51  -8.971   1.185  54.910
  549    H4*    C  51           H4*        C  51  -9.758   2.471  53.066
  550    H3*    C  51           H3*        C  51  -7.983   0.083  52.360
  551    H2*    C  51           H2*        C  51  -8.354   0.670  49.998
  552   2HO*    C  51          2HO*        C  51  -9.900   1.939  49.318
  553    H1*    C  51           H1*        C  51  -8.127   3.401  50.271
  554   1H4     C  51          1H4         C  51  -2.353   1.750  48.318
  555   2H4     C  51          2H4         C  51  -1.883   1.337  49.932
  556    H5     C  51           H5         C  51  -3.415   1.367  51.810
  557    H6     C  51           H6         C  51  -5.735   1.813  52.476
  558   1H5*    G  52          1H5*        G  52 -11.419  -0.206  49.796
  559   2H5*    G  52          2H5*        G  52 -11.746  -1.937  49.728
  560    H4*    G  52           H4*        G  52 -11.543  -0.963  47.572
  561    H3*    G  52           H3*        G  52  -9.433  -3.068  48.259
  562    H2*    G  52           H2*        G  52  -8.552  -2.737  45.982
  563   2HO*    G  52          2HO*        G  52  -9.616  -1.776  44.424
  564    H1*    G  52           H1*        G  52  -8.760   0.004  45.918
  565    H8     G  52           H8         G  52  -7.442  -1.158  49.342
  566    H1     G  52           H1         G  52  -3.003  -0.250  44.806
  567   1H2     G  52          1H2         G  52  -3.982   0.122  42.807
  568   2H2     G  52          2H2         G  52  -5.692   0.131  42.689
  569   1H5*    C  53          1H5*        C  53 -11.110  -4.029  44.375
  570   2H5*    C  53          2H5*        C  53 -11.180  -5.791  44.354
  571    H4*    C  53           H4*        C  53 -10.091  -4.894  42.440
  572    H3*    C  53           H3*        C  53  -8.352  -6.650  44.241
  573    H2*    C  53           H2*        C  53  -6.542  -6.301  42.597
  574   2HO*    C  53          2HO*        C  53  -6.842  -5.678  40.638
  575    H1*    C  53           H1*        C  53  -6.949  -3.619  42.191
  576   1H4     C  53          1H4         C  53  -2.444  -3.441  46.591
  577   2H4     C  53          2H4         C  53  -3.553  -3.913  47.834
  578    H5     C  53           H5         C  53  -5.870  -4.479  47.401
  579    H6     C  53           H6         C  53  -7.569  -4.695  45.643
  580   1H5*    G  54          1H5*        G  54  -8.090  -9.025  40.476
  581   2H5*    G  54          2H5*        G  54  -7.542 -10.577  41.108
  582    H4*    G  54           H4*        G  54  -6.056  -9.296  39.556
  583    H3*    G  54           H3*        G  54  -5.005 -10.535  42.143
  584    H2*    G  54           H2*        G  54  -2.788  -9.635  41.504
  585   2HO*    G  54          2HO*        G  54  -2.300  -8.960  39.574
  586    H1*    G  54           H1*        G  54  -3.629  -7.155  40.729
  587    H8     G  54           H8         G  54  -5.764  -7.913  43.765
  588    H1     G  54           H1         G  54   0.186  -5.940  45.105
  589   1H2     G  54          1H2         G  54   1.452  -5.921  43.236
  590   2H2     G  54          2H2         G  54   0.761  -6.399  41.740
  591   1H5*    C  55          1H5*        C  55  -3.135 -13.727  39.694
  592   2H5*    C  55          2H5*        C  55  -2.850 -14.930  40.953
  593    H4*    C  55           H4*        C  55  -0.953 -13.519  40.012
  594    H3*    C  55           H3*        C  55  -1.255 -14.197  42.977
  595    H2*    C  55           H2*        C  55   0.802 -12.886  43.347
  596   2HO*    C  55          2HO*        C  55   2.115 -12.267  41.777
  597    H1*    C  55           H1*        C  55   0.191 -10.794  41.676
  598   1H4     C  55          1H4         C  55  -1.684  -8.568  47.275
  599   2H4     C  55          2H4         C  55  -3.179  -9.434  47.169
  600    H5     C  55           H5         C  55  -3.698 -10.973  45.369
  601    H6     C  55           H6         C  55  -2.838 -11.971  43.299
  602   1H5*    A  56          1H5*        A  56   2.123 -17.256  42.115
  603   2H5*    A  56          2H5*        A  56   1.524 -18.583  43.111
  604    H4*    A  56           H4*        A  56   3.773 -17.741  43.639
  605    H3*    A  56           H3*        A  56   1.670 -17.975  45.823
  606    H2*    A  56           H2*        A  56   3.351 -17.061  47.390
  607   2HO*    A  56          2HO*        A  56   5.426 -16.849  46.912
  608    H1*    A  56           H1*        A  56   4.241 -15.018  45.843
  609    H8     A  56           H8         A  56   0.752 -14.686  44.779
  610   1H6     A  56          1H6         A  56  -0.524 -12.196  50.278
  611   2H6     A  56          2H6         A  56  -1.097 -12.469  48.669
  612    H2     A  56           H2         A  56   3.542 -14.085  50.500
  613   1H5*    C  57          1H5*        C  57   4.914 -19.093  47.903
  614   2H5*    C  57          2H5*        C  57   4.565 -20.764  48.347
  615    H4*    C  57           H4*        C  57   5.334 -19.465  50.196
  616    H3*    C  57           H3*        C  57   2.532 -20.628  50.428
  617    H2*    C  57           H2*        C  57   2.394 -19.559  52.655
  618   2HO*    C  57          2HO*        C  57   4.061 -18.768  53.696
  619    H1*    C  57           H1*        C  57   3.384 -17.127  51.964
  620   1H4     C  57          1H4         C  57  -2.887 -16.591  51.131
  621   2H4     C  57          2H4         C  57  -2.643 -16.708  49.421
  622    H5     C  57           H5         C  57  -0.498 -17.227  48.418
  623    H6     C  57           H6         C  57   1.852 -17.739  48.905
  624   1H5*    G  58          1H5*        G  58   4.152 -21.593  53.918
  625   2H5*    G  58          2H5*        G  58   3.960 -23.316  54.245
  626    H4*    G  58           H4*        G  58   3.232 -21.873  56.031
  627    H3*    G  58           H3*        G  58   1.158 -23.775  54.837
  628    H2*    G  58           H2*        G  58  -0.418 -22.887  56.519
  629   2HO*    G  58          2HO*        G  58   0.158 -21.819  58.230
  630    H1*    G  58           H1*        G  58   0.245 -20.242  56.258
  631    H8     G  58           H8         G  58   0.295 -20.838  52.671
  632    H1     G  58           H1         G  58  -5.603 -21.524  55.092
  633   1H2     G  58          1H2         G  58  -5.517 -21.708  57.339
  634   2H2     G  58          2H2         G  58  -4.000 -21.652  58.137
  635   1H5*    G  59          1H5*        G  59   0.923 -25.146  58.708
  636   2H5*    G  59          2H5*        G  59   0.784 -26.902  58.635
  637    H4*    G  59           H4*        G  59  -1.073 -25.797  59.701
  638    H3*    G  59           H3*        G  59  -1.689 -27.514  57.248
  639    H2*    G  59           H2*        G  59  -4.066 -26.954  57.630
  640   2HO*    G  59          2HO*        G  59  -4.823 -26.182  59.426
  641    H1*    G  59           H1*        G  59  -3.717 -24.290  58.161
  642    H8     G  59           H8         G  59  -1.304 -24.696  55.342
  643    H1     G  59           H1         G  59  -7.440 -24.744  53.484
  644   1H2     G  59          1H2         G  59  -8.803 -24.972  55.268
  645   2H2     G  59          2H2         G  59  -8.128 -25.100  56.839
  646   1H5*    C  60          1H5*        C  60  -4.484 -28.977  60.078
  647   2H5*    C  60          2H5*        C  60  -4.392 -30.728  59.892
  648    H4*    C  60           H4*        C  60  -6.614 -29.877  59.721
  649    H3*    C  60           H3*        C  60  -5.528 -31.295  57.240
  650    H2*    C  60           H2*        C  60  -7.735 -30.906  56.214
  651   2HO*    C  60          2HO*        C  60  -9.471 -30.371  57.298
  652    H1*    C  60           H1*        C  60  -8.081 -28.325  57.092
  653   1H4     C  60          1H4         C  60  -5.777 -27.546  51.257
  654   2H4     C  60          2H4         C  60  -4.155 -27.600  51.863
  655    H5     C  60           H5         C  60  -3.618 -28.093  54.174
  656    H6     C  60           H6         C  60  -4.579 -28.636  56.366
  657   1H5*    A  61          1H5*        A  61  -9.485 -32.842  58.068
  658   2H5*    A  61          2H5*        A  61  -9.335 -34.568  57.738
  659    H4*    A  61           H4*        A  61 -11.189 -33.510  56.630
  660    H3*    A  61           H3*        A  61  -9.101 -34.861  54.854
  661    H2*    A  61           H2*        A  61 -10.530 -34.222  52.937
  662   2HO*    A  61          2HO*        A  61 -12.534 -33.540  53.129
  663    H1*    A  61           H1*        A  61 -11.068 -31.665  53.744
  664    H8     A  61           H8         A  61  -7.421 -32.399  54.605
  665   1H6     A  61          1H6         A  61  -6.141 -30.446  48.895
  666   2H6     A  61          2H6         A  61  -5.479 -30.927  50.419
  667    H2     A  61           H2         A  61 -10.599 -30.767  49.304
  668   1H5*    A  62          1H5*        A  62 -12.961 -36.172  53.599
  669   2H5*    A  62          2H5*        A  62 -12.748 -37.778  52.903
  670    H4*    A  62           H4*        A  62 -13.732 -35.982  51.495
  671    H3*    A  62           H3*        A  62 -11.447 -37.731  50.454
  672    H2*    A  62           H2*        A  62 -11.594 -36.472  48.360
  673   2HO*    A  62          2HO*        A  62 -13.287 -35.485  47.712
  674    H1*    A  62           H1*        A  62 -12.046 -33.971  49.468
  675    H8     A  62           H8         A  62  -9.229 -35.418  51.502
  676   1H6     A  62          1H6         A  62  -5.452 -33.517  47.011
  677   2H6     A  62          2H6         A  62  -5.551 -34.153  48.617
  678    H2     A  62           H2         A  62  -9.679 -33.100  45.562
  679   1H5*    G  63          1H5*        G  63 -13.228 -40.005  46.248
  680   2H5*    G  63          2H5*        G  63 -11.586 -39.617  46.763
  681    H4*    G  63           H4*        G  63 -13.420 -38.111  44.964
  682    H3*    G  63           H3*        G  63 -10.816 -39.526  44.434
  683    H2*    G  63           H2*        G  63 -10.112 -37.648  43.048
  684   2HO*    G  63          2HO*        G  63 -11.419 -36.147  42.301
  685    H1*    G  63           H1*        G  63 -10.814 -35.558  44.615
  686    H8     G  63           H8         G  63  -9.854 -37.456  47.526
  687    H1     G  63           H1         G  63  -4.814 -36.222  43.760
  688   1H2     G  63          1H2         G  63  -5.500 -35.570  41.710
  689   2H2     G  63          2H2         G  63  -7.178 -35.469  41.371
  690   1H5*    A  64          1H5*        A  64 -12.275 -40.416  40.604
  691   2H5*    A  64          2H5*        A  64 -11.981 -42.134  40.338
  692    H4*    A  64           H4*        A  64 -10.637 -40.557  39.027
  693    H3*    A  64           H3*        A  64  -9.322 -42.771  40.626
  694    H2*    A  64           H2*        A  64  -7.179 -41.902  40.240
  695   2HO*    A  64          2HO*        A  64  -8.256 -40.788  37.905
  696    H1*    A  64           H1*        A  64  -7.948 -39.192  39.566
  697    H8     A  64           H8         A  64  -8.686 -39.213  43.097
  698   1H6     A  64          1H6         A  64  -2.647 -38.927  44.324
  699   2H6     A  64          2H6         A  64  -4.242 -38.752  44.969
  700    H2     A  64           H2         A  64  -3.154 -40.048  40.007
  701   1H5*    G  65          1H5*        G  65  -7.477 -43.532  37.576
  702   2H5*    G  65          2H5*        G  65  -7.831 -45.059  36.767
  703    H4*    G  65           H4*        G  65  -6.139 -46.174  37.796
  704    H3*    G  65           H3*        G  65  -6.579 -44.973  40.198
  705    H2*    G  65           H2*        G  65  -5.523 -42.817  39.710
  706   2HO*    G  65          2HO*        G  65  -3.557 -42.822  40.612
  707    H1*    G  65           H1*        G  65  -3.276 -44.300  38.292
  708    H8     G  65           H8         G  65  -5.517 -41.830  36.415
  709    H1     G  65           H1         G  65   0.172 -39.546  38.294
  710   1H2     G  65          1H2         G  65   1.197 -41.015  39.667
  711   2H2     G  65          2H2         G  65   0.424 -42.497  40.053
  712   1H5*    G  66          1H5*        G  66  -2.848 -49.190  41.679
  713   2H5*    G  66          2H5*        G  66  -3.976 -48.243  42.650
  714    H4*    G  66           H4*        G  66  -2.673 -46.903  40.399
  715    H3*    G  66           H3*        G  66  -0.933 -48.147  42.369
  716    H2*    G  66           H2*        G  66  -0.801 -46.313  43.811
  717   2HO*    G  66          2HO*        G  66   0.150 -44.966  41.541
  718    H1*    G  66           H1*        G  66  -1.891 -44.385  41.715
  719    H8     G  66           H8         G  66  -4.420 -44.911  44.300
  720    H1     G  66           H1         G  66  -0.087 -40.475  45.926
  721   1H2     G  66          1H2         G  66   1.711 -40.591  44.566
  722   2H2     G  66          2H2         G  66   1.753 -41.763  43.315
  723   1H5*    C  67          1H5*        C  67   2.802 -48.467  38.644
  724   2H5*    C  67          2H5*        C  67   2.258 -47.637  40.101
  725    H4*    C  67           H4*        C  67   2.393 -46.434  37.380
  726    H3*    C  67           H3*        C  67   4.596 -46.436  39.472
  727    H2*    C  67           H2*        C  67   5.002 -44.066  38.900
  728   2HO*    C  67          2HO*        C  67   4.238 -43.115  37.176
  729    H1*    C  67           H1*        C  67   2.427 -43.223  38.894
  730   1H4     C  67          1H4         C  67   4.102 -42.269  44.907
  731   2H4     C  67          2H4         C  67   3.572 -43.862  45.332
  732    H5     C  67           H5         C  67   2.810 -45.487  43.703
  733    H6     C  67           H6         C  67   2.418 -45.869  41.311
  734   1H5*    G  68          1H5*        G  68   7.403 -45.447  36.730
  735   2H5*    G  68          2H5*        G  68   8.576 -46.761  36.823
  736    H4*    G  68           H4*        G  68   9.636 -44.741  37.326
  737    H3*    G  68           H3*        G  68   9.399 -46.609  39.715
  738    H2*    G  68           H2*        G  68  10.542 -44.870  41.050
  739   2HO*    G  68          2HO*        G  68  11.543 -43.197  40.211
  740    H1*    G  68           H1*        G  68   9.118 -42.729  40.180
  741    H8     G  68           H8         G  68   6.309 -45.155  40.217
  742    H1     G  68           H1         G  68   8.222 -43.416  46.085
  743   1H2     G  68          1H2         G  68  10.213 -42.357  45.985
  744   2H2     G  68          2H2         G  68  10.976 -42.129  44.466
  745   1H5*    U  69          1H5*        U  69  13.240 -45.062  39.959
  746   2H5*    U  69          2H5*        U  69  14.290 -46.472  40.102
  747    H4*    U  69           H4*        U  69  14.793 -44.849  41.738
  748    H3*    U  69           H3*        U  69  13.702 -47.474  42.859
  749    H2*    U  69           H2*        U  69  14.034 -46.488  45.103
  750   2HO*    U  69          2HO*        U  69  15.198 -44.760  45.477
  751    H1*    U  69           H1*        U  69  13.030 -44.003  44.542
  752    H3     U  69           H3         U  69   9.801 -45.671  47.133
  753    H5     U  69           H5         U  69   9.143 -47.487  43.411
  754    H6     U  69           H6         U  69  11.200 -46.504  42.643
  755   1H5*    C  70          1H5*        C  70  17.054 -46.964  45.366
  756   2H5*    C  70          2H5*        C  70  17.857 -48.526  45.212
  757    H4*    C  70           H4*        C  70  17.572 -48.015  47.458
  758    H3*    C  70           H3*        C  70  15.777 -50.320  46.552
  759    H2*    C  70           H2*        C  70  14.956 -50.464  48.836
  760   2HO*    C  70          2HO*        C  70  15.969 -49.648  50.532
  761    H1*    C  70           H1*        C  70  14.971 -47.733  49.418
  762   1H4     C  70          1H4         C  70   8.842 -48.969  48.520
  763   2H4     C  70          2H4         C  70   9.036 -48.872  46.802
  764    H5     C  70           H5         C  70  11.186 -48.578  45.722
  765    H6     C  70           H6         C  70  13.593 -48.322  46.125
  766    H3T    C  70           H3T        C  70  17.479 -50.995  48.302
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   5.363 -49.563  55.136
    2   2H5*    G   1          2H5*        G   1   5.157 -50.445  53.603
    3    H4*    G   1           H4*        G   1   7.724 -49.727  54.955
    4    H3*    G   1           H3*        G   1   6.335 -48.325  52.641
    5    H2*    G   1           H2*        G   1   8.567 -48.021  51.624
    6   2HO*    G   1          2HO*        G   1  10.395 -48.332  52.656
    7    H1*    G   1           H1*        G   1   9.505 -50.538  52.010
    8    H8     G   1           H8         G   1   5.801 -51.021  51.282
    9    H1     G   1           H1         G   1   9.509 -50.244  46.110
   10   1H2     G   1          1H2         G   1  11.584 -49.595  46.717
   11   2H2     G   1          2H2         G   1  11.956 -49.386  48.377
   12    H5T    G   1           H5T        G   1   5.016 -51.819  55.447
   13   1H5*    A   2          1H5*        A   2   9.730 -45.990  53.404
   14   2H5*    A   2          2H5*        A   2   9.111 -44.340  53.466
   15    H4*    A   2           H4*        A   2  10.961 -44.548  52.004
   16    H3*    A   2           H3*        A   2   8.331 -43.767  50.651
   17    H2*    A   2           H2*        A   2   9.595 -43.644  48.548
   18   2HO*    A   2          2HO*        A   2  11.693 -43.507  48.427
   19    H1*    A   2           H1*        A   2  11.151 -45.891  48.934
   20    H8     A   2           H8         A   2   7.745 -47.024  50.031
   21   1H6     A   2          1H6         A   2   6.456 -47.901  44.062
   22   2H6     A   2          2H6         A   2   5.932 -48.171  45.689
   23    H2     A   2           H2         A   2  10.321 -45.637  44.347
   24   1H5*    C   3          1H5*        C   3  10.896 -40.962  49.030
   25   2H5*    C   3          2H5*        C   3  10.007 -39.440  49.104
   26    H4*    C   3           H4*        C   3  10.794 -40.025  46.913
   27    H3*    C   3           H3*        C   3   7.778 -39.678  47.260
   28    H2*    C   3           H2*        C   3   7.509 -40.193  44.918
   29   2HO*    C   3          2HO*        C   3   8.982 -39.905  43.455
   30    H1*    C   3           H1*        C   3   9.619 -42.038  44.679
   31   1H4     C   3          1H4         C   3   4.313 -45.500  44.408
   32   2H4     C   3          2H4         C   3   4.405 -45.767  46.115
   33    H5     C   3           H5         C   3   6.028 -44.672  47.544
   34    H6     C   3           H6         C   3   7.899 -43.084  47.575
   35   1H5*    G   4          1H5*        G   4   9.009 -37.176  43.765
   36   2H5*    G   4          2H5*        G   4   8.051 -35.723  44.051
   37    H4*    G   4           H4*        G   4   7.925 -36.638  41.802
   38    H3*    G   4           H3*        G   4   5.326 -36.253  43.361
   39    H2*    G   4           H2*        G   4   4.161 -37.077  41.338
   40   2HO*    G   4          2HO*        G   4   5.049 -37.221  39.438
   41    H1*    G   4           H1*        G   4   5.831 -39.175  40.808
   42    H8     G   4           H8         G   4   5.637 -39.289  44.565
   43    H1     G   4           H1         G   4   0.460 -41.633  41.598
   44   1H2     G   4          1H2         G   4   0.503 -41.112  39.402
   45   2H2     G   4          2H2         G   4   1.817 -40.207  38.773
   46   1H5*    G   5          1H5*        G   5   2.232 -33.256  41.123
   47   2H5*    G   5          2H5*        G   5   2.033 -34.494  42.362
   48    H4*    G   5           H4*        G   5   1.892 -34.866  39.415
   49    H3*    G   5           H3*        G   5  -0.414 -34.560  41.393
   50    H2*    G   5           H2*        G   5  -1.616 -36.249  40.040
   51   2HO*    G   5          2HO*        G   5  -1.029 -36.852  38.103
   52    H1*    G   5           H1*        G   5   0.460 -37.993  39.730
   53    H8     G   5           H8         G   5   1.310 -37.345  43.199
   54    H1     G   5           H1         G   5  -4.379 -40.257  42.680
   55   1H2     G   5          1H2         G   5  -5.137 -40.137  40.558
   56   2H2     G   5          2H2         G   5  -4.194 -39.342  39.365
   57   1H5*    C   6          1H5*        C   6  -2.648 -34.453  38.108
   58   2H5*    C   6          2H5*        C   6  -3.542 -32.934  38.189
   59    H4*    C   6           H4*        C   6  -5.015 -34.729  37.850
   60    H3*    C   6           H3*        C   6  -5.318 -33.384  40.569
   61    H2*    C   6           H2*        C   6  -7.145 -34.989  41.019
   62   2HO*    C   6          2HO*        C   6  -8.015 -36.247  39.519
   63    H1*    C   6           H1*        C   6  -5.889 -37.229  40.112
   64   1H4     C   6          1H4         C   6  -4.392 -37.258  46.248
   65   2H4     C   6          2H4         C   6  -2.996 -36.281  45.942
   66    H5     C   6           H5         C   6  -2.486 -35.339  43.767
   67    H6     C   6           H6         C   6  -3.257 -35.171  41.444
   68   1H5*    U   7          1H5*        U   7  -9.167 -32.514  39.462
   69   2H5*    U   7          2H5*        U   7  -9.336 -30.764  39.608
   70    H4*    U   7           H4*        U   7 -10.954 -31.884  40.893
   71    H3*    U   7           H3*        U   7  -8.915 -30.323  42.555
   72    H2*    U   7           H2*        U   7 -10.178 -31.026  44.539
   73   2HO*    U   7          2HO*        U   7 -12.155 -31.821  44.477
   74    H1*    U   7           H1*        U   7 -10.692 -33.620  43.739
   75    H3     U   7           H3         U   7  -7.923 -34.460  47.114
   76    H5     U   7           H5         U   7  -5.399 -32.885  44.160
   77    H6     U   7           H6         U   7  -7.351 -32.432  42.829
   78   1H5*    U   8          1H5*        U   8 -12.983 -29.278  43.776
   79   2H5*    U   8          2H5*        U   8 -12.895 -27.586  44.267
   80    H4*    U   8           H4*        U   8 -13.900 -29.127  45.869
   81    H3*    U   8           H3*        U   8 -11.551 -27.388  46.772
   82    H2*    U   8           H2*        U   8 -11.814 -28.399  48.992
   83   2HO*    U   8          2HO*        U   8 -13.544 -29.503  49.605
   84    H1*    U   8           H1*        U   8 -12.319 -30.984  48.152
   85    H3     U   8           H3         U   8  -8.345 -31.336  50.198
   86    H5     U   8           H5         U   8  -7.428 -29.797  46.407
   87    H6     U   8           H6         U   8  -9.787 -29.551  46.010
   88   1H5*    G   9          1H5*        G   9 -14.897 -27.124  49.490
   89   2H5*    G   9          2H5*        G   9 -14.952 -25.465  50.088
   90    H4*    G   9           H4*        G   9 -15.061 -27.166  51.811
   91    H3*    G   9           H3*        G   9 -12.834 -25.098  51.961
   92    H2*    G   9           H2*        G   9 -12.069 -26.236  54.018
   93   2HO*    G   9          2HO*        G   9 -13.214 -27.677  55.073
   94    H1*    G   9           H1*        G   9 -12.227 -28.793  53.109
   95    H8     G   9           H8         G   9 -11.070 -26.800  50.083
   96    H1     G   9           H1         G   9  -6.443 -28.331  54.248
   97   1H2     G   9          1H2         G   9  -7.334 -29.158  56.150
   98   2H2     G   9          2H2         G   9  -9.038 -29.295  56.298
   99   1H5*    C  10          1H5*        C  10 -14.143 -25.233  55.874
  100   2H5*    C  10          2H5*        C  10 -14.406 -23.550  56.327
  101    H4*    C  10           H4*        C  10 -13.046 -24.589  57.912
  102    H3*    C  10           H3*        C  10 -11.561 -22.492  56.263
  103    H2*    C  10           H2*        C  10  -9.579 -23.002  57.653
  104   2HO*    C  10          2HO*        C  10  -9.649 -24.079  59.465
  105    H1*    C  10           H1*        C  10  -9.801 -25.723  57.595
  106   1H4     C  10          1H4         C  10  -5.929 -24.648  52.728
  107   2H4     C  10          2H4         C  10  -7.271 -24.343  51.678
  108    H5     C  10           H5         C  10  -9.569 -24.268  52.446
  109    H6     C  10           H6         C  10 -11.013 -24.480  54.420
  110   1H5*    U  11          1H5*        U  11 -10.489 -21.468  60.042
  111   2H5*    U  11          2H5*        U  11 -10.527 -19.708  60.156
  112    H4*    U  11           H4*        U  11  -8.407 -20.566  60.737
  113    H3*    U  11           H3*        U  11  -8.432 -18.852  58.208
  114    H2*    U  11           H2*        U  11  -5.985 -19.204  58.116
  115   2HO*    U  11          2HO*        U  11  -4.834 -19.947  59.720
  116    H1*    U  11           H1*        U  11  -5.998 -21.881  58.659
  117    H3     U  11           H3         U  11  -4.979 -21.865  54.311
  118    H5     U  11           H5         U  11  -9.129 -21.267  54.381
  119    H6     U  11           H6         U  11  -8.992 -21.073  56.775
  120   1H5*    G  12          1H5*        G  12  -5.305 -17.642  60.593
  121   2H5*    G  12          2H5*        G  12  -5.244 -15.880  60.623
  122    H4*    G  12           H4*        G  12  -3.150 -16.971  60.112
  123    H3*    G  12           H3*        G  12  -4.275 -14.954  58.144
  124    H2*    G  12           H2*        G  12  -2.615 -15.458  56.559
  125   2HO*    G  12          2HO*        G  12  -0.614 -15.977  57.044
  126    H1*    G  12           H1*        G  12  -1.908 -18.087  57.525
  127    H8     G  12           H8         G  12  -5.379 -18.350  56.207
  128    H1     G  12           H1         G  12  -0.922 -18.191  51.601
  129   1H2     G  12          1H2         G  12   1.068 -17.547  52.449
  130   2H2     G  12          2H2         G  12   1.201 -17.188  54.121
  131   1H5*    A  13          1H5*        A  13  -0.877 -13.450  60.101
  132   2H5*    A  13          2H5*        A  13  -0.559 -11.730  60.320
  133    H4*    A  13           H4*        A  13   0.833 -12.790  58.666
  134    H3*    A  13           H3*        A  13  -0.850 -10.422  57.903
  135    H2*    A  13           H2*        A  13  -0.685 -10.800  55.627
  136   2HO*    A  13          2HO*        A  13   1.203 -11.428  54.669
  137    H1*    A  13           H1*        A  13   0.561 -13.472  55.783
  138    H8     A  13           H8         A  13  -3.242 -12.900  56.127
  139   1H6     A  13          1H6         A  13  -3.519 -14.796  50.262
  140   2H6     A  13          2H6         A  13  -4.433 -14.338  51.658
  141    H2     A  13           H2         A  13   0.803 -14.445  51.423
  142   1H5*    A  14          1H5*        A  14   1.566  -6.730  57.398
  143   2H5*    A  14          2H5*        A  14   0.027  -6.511  56.565
  144    H4*    A  14           H4*        A  14   2.324  -8.278  55.932
  145    H3*    A  14           H3*        A  14   1.494  -5.923  54.677
  146    H2*    A  14           H2*        A  14  -0.385  -6.814  53.475
  147   2HO*    A  14          2HO*        A  14   0.623  -6.507  51.728
  148    H1*    A  14           H1*        A  14   1.033  -9.507  53.249
  149    H8     A  14           H8         A  14  -2.313  -8.893  55.048
  150   1H6     A  14          1H6         A  14  -4.796 -11.986  50.323
  151   2H6     A  14          2H6         A  14  -5.094 -11.255  51.863
  152    H2     A  14           H2         A  14  -0.440 -11.348  49.450
  153   1H5*    G  15          1H5*        G  15   4.902  -8.513  52.286
  154   2H5*    G  15          2H5*        G  15   5.819  -7.130  51.686
  155    H4*    G  15           H4*        G  15   5.999  -8.896  50.183
  156    H3*    G  15           H3*        G  15   4.327  -6.587  49.077
  157    H2*    G  15           H2*        G  15   4.136  -7.896  46.998
  158   2HO*    G  15          2HO*        G  15   5.380  -9.521  46.500
  159    H1*    G  15           H1*        G  15   3.711 -10.351  48.164
  160    H8     G  15           H8         G  15   1.494  -8.327  50.338
  161    H1     G  15           H1         G  15  -0.819  -9.063  44.404
  162   1H2     G  15          1H2         G  15   0.783  -9.851  43.024
  163   2H2     G  15          2H2         G  15   2.354 -10.162  43.639
  164   1H5*    C  16          1H5*        C  16   7.159  -7.313  45.973
  165   2H5*    C  16          2H5*        C  16   7.686  -5.697  45.503
  166    H4*    C  16           H4*        C  16   6.974  -7.000  43.648
  167    H3*    C  16           H3*        C  16   5.320  -4.490  44.200
  168    H2*    C  16           H2*        C  16   4.010  -5.082  42.190
  169   2HO*    C  16          2HO*        C  16   4.635  -6.471  40.736
  170    H1*    C  16           H1*        C  16   3.787  -7.766  42.699
  171   1H4     C  16          1H4         C  16  -1.587  -5.512  45.127
  172   2H4     C  16          2H4         C  16  -0.793  -5.117  46.615
  173    H5     C  16           H5         C  16   1.596  -5.360  46.950
  174    H6     C  16           H6         C  16   3.694  -6.043  45.878
  175   1H5*    G  17          1H5*        G  17   6.145  -4.399  40.001
  176   2H5*    G  17          2H5*        G  17   6.426  -2.689  39.668
  177    H4*    G  17           H4*        G  17   4.749  -3.664  38.273
  178    H3*    G  17           H3*        G  17   3.836  -1.367  40.073
  179    H2*    G  17           H2*        G  17   1.614  -1.612  39.024
  180   2HO*    G  17          2HO*        G  17   1.257  -2.664  37.237
  181    H1*    G  17           H1*        G  17   1.508  -4.352  39.068
  182    H8     G  17           H8         G  17   3.064  -3.179  42.365
  183    H1     G  17           H1         G  17  -3.345  -3.233  42.208
  184   1H2     G  17          1H2         G  17  -4.080  -3.612  40.108
  185   2H2     G  17          2H2         G  17  -2.947  -3.836  38.841
  186   1H5*    C  18          1H5*        C  18   2.440  -0.490  36.065
  187   2H5*    C  18          2H5*        C  18   2.576   1.263  35.935
  188    H4*    C  18           H4*        C  18   0.402   0.410  35.383
  189    H3*    C  18           H3*        C  18   0.552   2.386  37.711
  190    H2*    C  18           H2*        C  18  -1.902   2.199  37.852
  191   2HO*    C  18          2HO*        C  18  -3.121   1.419  36.327
  192    H1*    C  18           H1*        C  18  -2.067  -0.523  37.515
  193   1H4     C  18          1H4         C  18  -2.199  -0.023  43.801
  194   2H4     C  18          2H4         C  18  -0.482   0.182  43.870
  195    H5     C  18           H5         C  18   0.916   0.347  41.897
  196    H6     C  18           H6         C  18   0.899   0.343  39.443
  197   1H5*    G  19          1H5*        G  19  -2.440   4.273  35.075
  198   2H5*    G  19          2H5*        G  19  -2.391   5.951  35.616
  199    H4*    G  19           H4*        G  19  -4.504   4.605  35.853
  200    H3*    G  19           H3*        G  19  -3.432   6.393  38.091
  201    H2*    G  19           H2*        G  19  -5.384   5.697  39.411
  202   2HO*    G  19          2HO*        G  19  -7.114   4.801  38.597
  203    H1*    G  19           H1*        G  19  -5.372   3.034  38.690
  204    H8     G  19           H8         G  19  -1.735   3.590  39.311
  205    H1     G  19           H1         G  19  -5.225   3.323  44.682
  206   1H2     G  19          1H2         G  19  -7.425   3.469  44.202
  207   2H2     G  19          2H2         G  19  -7.929   3.623  42.569
  208   1H5*    C  20          1H5*        C  20  -7.166   8.055  37.984
  209   2H5*    C  20          2H5*        C  20  -6.920   9.801  37.981
  210    H4*    C  20           H4*        C  20  -8.262   9.123  39.791
  211    H3*    C  20           H3*        C  20  -5.548  10.274  40.609
  212    H2*    C  20           H2*        C  20  -6.239   9.957  42.932
  213   2HO*    C  20          2HO*        C  20  -8.213   9.825  43.567
  214    H1*    C  20           H1*        C  20  -7.549   7.530  42.599
  215   1H4     C  20          1H4         C  20  -2.029   5.704  45.044
  216   2H4     C  20          2H4         C  20  -1.223   5.932  43.529
  217    H5     C  20           H5         C  20  -2.315   6.849  41.569
  218    H6     C  20           H6         C  20  -4.436   7.731  40.705
  219   1H5*    A  21          1H5*        A  21  -6.126  14.420  43.199
  220   2H5*    A  21          2H5*        A  21  -5.032  13.068  43.490
  221    H4*    A  21           H4*        A  21  -7.558  13.761  44.934
  222    H3*    A  21           H3*        A  21  -4.693  14.126  45.757
  223    H2*    A  21           H2*        A  21  -5.204  13.160  47.924
  224   2HO*    A  21          2HO*        A  21  -7.156  12.938  48.716
  225    H1*    A  21           H1*        A  21  -6.685  11.000  47.238
  226    H8     A  21           H8         A  21  -4.485  10.790  44.320
  227   1H6     A  21          1H6         A  21  -0.130   8.490  48.035
  228   2H6     A  21          2H6         A  21  -0.615   8.746  46.394
  229    H2     A  21           H2         A  21  -3.387  10.220  50.592
  230   1H5*    C  22          1H5*        C  22  -6.779  15.407  49.013
  231   2H5*    C  22          2H5*        C  22  -6.263  17.067  49.311
  232    H4*    C  22           H4*        C  22  -6.272  15.644  51.274
  233    H3*    C  22           H3*        C  22  -3.685  17.035  50.499
  234    H2*    C  22           H2*        C  22  -2.628  15.929  52.438
  235   2HO*    C  22          2HO*        C  22  -3.691  15.002  53.997
  236    H1*    C  22           H1*        C  22  -3.608  13.432  52.036
  237   1H4     C  22          1H4         C  22   1.853  13.609  48.783
  238   2H4     C  22          2H4         C  22   0.929  13.607  47.319
  239    H5     C  22           H5         C  22  -1.485  13.828  47.272
  240    H6     C  22           H6         C  22  -3.484  14.096  48.669
  241   1H5*    G  23          1H5*        G  23  -4.066  17.600  54.568
  242   2H5*    G  23          2H5*        G  23  -3.803  19.313  54.899
  243    H4*    G  23           H4*        G  23  -2.530  17.741  56.265
  244    H3*    G  23           H3*        G  23  -1.026  19.909  54.721
  245    H2*    G  23           H2*        G  23   1.034  19.018  55.748
  246   2HO*    G  23          2HO*        G  23   1.071  17.757  57.426
  247    H1*    G  23           H1*        G  23   0.461  16.354  55.426
  248    H8     G  23           H8         G  23  -0.713  17.446  52.109
  249    H1     G  23           H1         G  23   5.658  17.832  52.710
  250   1H2     G  23          1H2         G  23   6.259  17.661  54.879
  251   2H2     G  23          2H2         G  23   5.050  17.457  56.079
  252   1H5*    G  24          1H5*        G  24   0.437  20.904  58.501
  253   2H5*    G  24          2H5*        G  24   0.550  22.663  58.490
  254    H4*    G  24           H4*        G  24   2.642  21.461  58.824
  255    H3*    G  24           H3*        G  24   2.462  23.476  56.532
  256    H2*    G  24           H2*        G  24   4.827  22.952  56.067
  257   2HO*    G  24          2HO*        G  24   6.117  22.004  57.418
  258    H1*    G  24           H1*        G  24   4.652  20.229  56.382
  259    H8     G  24           H8         G  24   1.496  20.854  54.496
  260    H1     G  24           H1         G  24   6.766  21.322  50.875
  261   1H2     G  24          1H2         G  24   8.611  21.407  52.173
  262   2H2     G  24          2H2         G  24   8.451  21.342  53.879
  263   1H5*    C  25          1H5*        C  25   6.094  24.664  58.493
  264   2H5*    C  25          2H5*        C  25   5.922  26.418  58.553
  265    H4*    C  25           H4*        C  25   7.987  25.718  57.593
  266    H3*    C  25           H3*        C  25   6.136  27.307  55.751
  267    H2*    C  25           H2*        C  25   7.919  27.142  54.049
  268   2HO*    C  25          2HO*        C  25   9.910  26.582  54.468
  269    H1*    C  25           H1*        C  25   8.542  24.504  54.453
  270   1H4     C  25          1H4         C  25   4.416  24.217  49.677
  271   2H4     C  25          2H4         C  25   3.088  24.181  50.786
  272    H5     C  25           H5         C  25   3.350  24.441  53.182
  273    H6     C  25           H6         C  25   4.989  24.789  54.975
  274   1H5*    A  26          1H5*        A  26  10.147  29.109  55.469
  275   2H5*    A  26          2H5*        A  26   9.765  30.824  55.320
  276    H4*    A  26           H4*        A  26  11.243  29.948  53.613
  277    H3*    A  26           H3*        A  26   8.643  31.275  52.708
  278    H2*    A  26           H2*        A  26   9.405  30.853  50.391
  279   2HO*    A  26          2HO*        A  26  11.382  30.296  49.877
  280    H1*    A  26           H1*        A  26  10.261  28.284  50.772
  281    H8     A  26           H8         A  26   7.083  28.684  52.834
  282   1H6     A  26          1H6         A  26   4.057  27.150  47.681
  283   2H6     A  26          2H6         A  26   3.920  27.444  49.381
  284    H2     A  26           H2         A  26   8.378  27.768  46.641
  285   1H5*    A  27          1H5*        A  27  11.902  33.095  50.401
  286   2H5*    A  27          2H5*        A  27  11.258  34.664  49.923
  287    H4*    A  27           H4*        A  27  11.976  32.991  48.178
  288    H3*    A  27           H3*        A  27   9.388  34.606  47.959
  289    H2*    A  27           H2*        A  27   8.999  33.448  45.823
  290   2HO*    A  27          2HO*        A  27  10.484  32.621  44.677
  291    H1*    A  27           H1*        A  27   9.797  30.938  46.629
  292    H8     A  27           H8         A  27   7.782  32.107  49.562
  293   1H6     A  27          1H6         A  27   2.753  30.503  46.369
  294   2H6     A  27          2H6         A  27   3.368  30.987  47.912
  295    H2     A  27           H2         A  27   6.278  30.380  43.594
  296   1H5*    G  28          1H5*        G  28  10.283  37.096  43.457
  297   2H5*    G  28          2H5*        G  28   8.704  37.091  44.243
  298    H4*    G  28           H4*        G  28   9.758  35.502  42.013
  299    H3*    G  28           H3*        G  28   7.158  36.938  42.509
  300    H2*    G  28           H2*        G  28   5.988  35.168  41.308
  301   2HO*    G  28          2HO*        G  28   6.928  33.741  40.050
  302    H1*    G  28           H1*        G  28   7.140  32.967  42.384
  303    H8     G  28           H8         G  28   7.268  34.550  45.596
  304    H1     G  28           H1         G  28   1.208  33.795  43.643
  305   1H2     G  28          1H2         G  28   1.140  33.370  41.427
  306   2H2     G  28          2H2         G  28   2.602  33.290  40.534
  307   1H5*    A  29          1H5*        A  29   7.215  38.030  38.158
  308   2H5*    A  29          2H5*        A  29   6.862  39.751  38.317
  309    H4*    A  29           H4*        A  29   5.269  38.493  36.995
  310    H3*    A  29           H3*        A  29   4.218  40.031  39.419
  311    H2*    A  29           H2*        A  29   1.967  39.242  38.756
  312   2HO*    A  29          2HO*        A  29   1.600  38.192  36.869
  313    H1*    A  29           H1*        A  29   2.652  36.649  38.228
  314    H8     A  29           H8         A  29   4.705  36.639  41.162
  315   1H6     A  29          1H6         A  29  -0.333  36.995  44.706
  316   2H6     A  29          2H6         A  29   1.363  36.655  44.668
  317    H2     A  29           H2         A  29  -1.498  38.040  40.499
  318   1H5*    G  30          1H5*        G  30   2.114  41.758  37.233
  319   2H5*    G  30          2H5*        G  30   2.460  43.392  36.672
  320    H4*    G  30           H4*        G  30   1.019  44.362  38.065
  321    H3*    G  30           H3*        G  30   1.948  43.050  40.231
  322    H2*    G  30           H2*        G  30   0.891  40.867  39.789
  323   2HO*    G  30          2HO*        G  30  -0.870  40.725  41.097
  324    H1*    G  30           H1*        G  30  -1.687  42.329  39.112
  325    H8     G  30           H8         G  30   0.222  40.123  36.597
  326    H1     G  30           H1         G  30  -4.982  37.496  39.265
  327   1H2     G  30          1H2         G  30  -5.777  38.817  40.913
  328   2H2     G  30          2H2         G  30  -4.981  40.293  41.276
  329   1H5*    G  31          1H5*        G  31  -0.795  46.519  42.543
  330   2H5*    G  31          2H5*        G  31  -0.069  45.934  44.039
  331    H4*    G  31           H4*        G  31  -1.413  44.373  41.884
  332    H3*    G  31           H3*        G  31  -2.484  45.357  44.408
  333    H2*    G  31           H2*        G  31  -2.168  43.386  45.618
  334   2HO*    G  31          2HO*        G  31  -3.481  41.695  45.071
  335    H1*    G  31           H1*        G  31  -1.720  41.717  43.105
  336    H8     G  31           H8         G  31  -1.606  39.496  44.453
  337    H1     G  31           H1         G  31   3.198  41.900  47.953
  338   1H2     G  31          1H2         G  31   3.462  44.100  47.526
  339   2H2     G  31          2H2         G  31   2.433  44.873  46.392
  340   1H5*    C  32          1H5*        C  32  -7.144  46.220  41.729
  341   2H5*    C  32          2H5*        C  32  -6.426  45.362  43.092
  342    H4*    C  32           H4*        C  32  -7.437  44.235  40.525
  343    H3*    C  32           H3*        C  32  -8.686  44.185  43.291
  344    H2*    C  32           H2*        C  32  -9.384  41.864  42.832
  345   2HO*    C  32          2HO*        C  32 -10.026  42.064  40.781
  346    H1*    C  32           H1*        C  32  -7.049  40.937  41.816
  347   1H4     C  32          1H4         C  32  -6.363  39.749  47.979
  348   2H4     C  32          2H4         C  32  -5.615  41.292  48.216
  349    H5     C  32           H5         C  32  -5.438  42.964  46.469
  350    H6     C  32           H6         C  32  -5.968  43.451  44.123
  351   1H5*    G  33          1H5*        G  33 -12.399  43.451  41.767
  352   2H5*    G  33          2H5*        G  33 -13.366  44.784  42.396
  353    H4*    G  33           H4*        G  33 -14.241  42.738  43.149
  354    H3*    G  33           H3*        G  33 -13.054  44.471  45.340
  355    H2*    G  33           H2*        G  33 -13.615  42.675  46.935
  356   2HO*    G  33          2HO*        G  33 -14.911  41.062  46.503
  357    H1*    G  33           H1*        G  33 -12.686  40.567  45.506
  358    H8     G  33           H8         G  33 -10.071  43.013  44.503
  359    H1     G  33           H1         G  33  -9.470  40.977  50.552
  360   1H2     G  33          1H2         G  33 -11.342  39.903  51.214
  361   2H2     G  33          2H2         G  33 -12.655  39.738  50.123
  362   1H5*    U  34          1H5*        U  34 -16.615  42.979  46.986
  363   2H5*    U  34          2H5*        U  34 -17.430  44.405  47.627
  364    H4*    U  34           H4*        U  34 -17.314  42.655  49.219
  365    H3*    U  34           H3*        U  34 -15.774  45.186  49.969
  366    H2*    U  34           H2*        U  34 -15.224  44.046  52.095
  367   2HO*    U  34          2HO*        U  34 -16.188  42.284  52.780
  368    H1*    U  34           H1*        U  34 -14.597  41.607  51.028
  369    H3     U  34           H3         U  34 -10.541  43.061  52.169
  370    H5     U  34           H5         U  34 -11.408  45.180  48.656
  371    H6     U  34           H6         U  34 -13.627  44.254  48.725
  372   1H5*    C  35          1H5*        C  35 -17.763  44.328  53.570
  373   2H5*    C  35          2H5*        C  35 -18.610  45.844  53.878
  374    H4*    C  35           H4*        C  35 -17.498  45.253  55.800
  375    H3*    C  35           H3*        C  35 -16.112  47.609  54.426
  376    H2*    C  35           H2*        C  35 -14.531  47.615  56.302
  377   2HO*    C  35          2HO*        C  35 -14.867  46.620  58.153
  378    H1*    C  35           H1*        C  35 -14.262  44.875  56.554
  379   1H4     C  35          1H4         C  35  -9.140  46.465  53.216
  380   2H4     C  35          2H4         C  35 -10.049  46.446  51.743
  381    H5     C  35           H5         C  35 -12.448  46.102  51.666
  382    H6     C  35           H6         C  35 -14.444  45.705  53.039
  383    H3T    C  35           H3T        C  35 -17.037  48.177  56.711
  384   1H5*    G  36          1H5*        G  36  -0.229  45.554  59.239
  385   2H5*    G  36          2H5*        G  36  -1.153  46.470  58.026
  386    H4*    G  36           H4*        G  36  -2.016  45.730  60.790
  387    H3*    G  36           H3*        G  36  -2.706  44.377  58.156
  388    H2*    G  36           H2*        G  36  -5.005  44.105  59.020
  389   2HO*    G  36          2HO*        G  36  -5.554  44.396  61.048
  390    H1*    G  36           H1*        G  36  -5.345  46.617  59.991
  391    H8     G  36           H8         G  36  -3.250  47.147  56.868
  392    H1     G  36           H1         G  36  -9.527  46.378  55.812
  393   1H2     G  36          1H2         G  36 -10.565  45.687  57.694
  394   2H2     G  36          2H2         G  36  -9.654  45.451  59.128
  395    H5T    G  36           H5T        G  36   0.279  47.800  59.242
  396   1H5*    A  37          1H5*        A  37  -4.616  41.993  61.027
  397   2H5*    A  37          2H5*        A  37  -4.130  40.353  60.594
  398    H4*    A  37           H4*        A  37  -6.472  40.542  60.838
  399    H3*    A  37           H3*        A  37  -5.536  39.879  58.003
  400    H2*    A  37           H2*        A  37  -7.909  39.776  57.376
  401   2HO*    A  37          2HO*        A  37  -9.494  39.574  58.749
  402    H1*    A  37           H1*        A  37  -8.758  41.959  58.837
  403    H8     A  37           H8         A  37  -5.566  43.170  57.279
  404   1H6     A  37          1H6         A  37  -8.840  44.254  52.163
  405   2H6     A  37          2H6         A  37  -7.326  44.496  52.964
  406    H2     A  37           H2         A  37 -11.386  41.861  54.980
  407   1H5*    C  38          1H5*        C  38  -8.514  37.052  58.557
  408   2H5*    C  38          2H5*        C  38  -7.838  35.552  57.921
  409    H4*    C  38           H4*        C  38  -9.947  36.185  56.959
  410    H3*    C  38           H3*        C  38  -7.576  35.884  55.054
  411    H2*    C  38           H2*        C  38  -9.047  36.468  53.230
  412   2HO*    C  38          2HO*        C  38 -11.125  36.199  53.240
  413    H1*    C  38           H1*        C  38 -10.682  38.288  54.615
  414   1H4     C  38          1H4         C  38  -7.083  41.834  50.783
  415   2H4     C  38          2H4         C  38  -5.937  42.047  52.064
  416    H5     C  38           H5         C  38  -6.088  40.885  54.186
  417    H6     C  38           H6         C  38  -7.407  39.271  55.479
  418   1H5*    G  39          1H5*        G  39 -10.936  33.456  53.396
  419   2H5*    G  39          2H5*        G  39 -10.075  32.010  52.869
  420    H4*    G  39           H4*        G  39 -11.582  32.993  51.232
  421    H3*    G  39           H3*        G  39  -8.653  32.594  50.461
  422    H2*    G  39           H2*        G  39  -9.265  33.495  48.238
  423   2HO*    G  39          2HO*        G  39 -11.243  33.696  47.546
  424    H1*    G  39           H1*        G  39 -10.784  35.588  49.119
  425    H8     G  39           H8         G  39  -7.978  35.588  51.626
  426    H1     G  39           H1         G  39  -6.406  38.076  45.929
  427   1H2     G  39          1H2         G  39  -8.003  37.621  44.402
  428   2H2     G  39          2H2         G  39  -9.388  36.722  44.865
  429   1H5*    G  40          1H5*        G  40  -8.004  29.708  46.668
  430   2H5*    G  40          2H5*        G  40  -7.001  30.926  47.455
  431    H4*    G  40           H4*        G  40  -8.940  31.365  45.245
  432    H3*    G  40           H3*        G  40  -5.911  31.022  45.048
  433    H2*    G  40           H2*        G  40  -5.975  32.744  43.271
  434   2HO*    G  40          2HO*        G  40  -7.745  33.389  42.309
  435    H1*    G  40           H1*        G  40  -7.665  34.482  44.533
  436    H8     G  40           H8         G  40  -5.839  33.762  47.588
  437    H1     G  40           H1         G  40  -2.137  36.741  43.285
  438   1H2     G  40          1H2         G  40  -3.088  36.669  41.240
  439   2H2     G  40          2H2         G  40  -4.601  35.886  41.035
  440   1H5*    C  41          1H5*        C  41  -6.610  31.005  41.147
  441   2H5*    C  41          2H5*        C  41  -5.905  29.511  40.532
  442    H4*    C  41           H4*        C  41  -5.095  31.363  39.334
  443    H3*    C  41           H3*        C  41  -2.974  29.945  41.007
  444    H2*    C  41           H2*        C  41  -1.355  31.584  40.105
  445   2HO*    C  41          2HO*        C  41  -1.788  32.905  38.474
  446    H1*    C  41           H1*        C  41  -2.893  33.813  40.421
  447   1H4     C  41          1H4         C  41   0.378  33.669  45.823
  448   2H4     C  41          2H4         C  41  -0.823  32.662  46.557
  449    H5     C  41           H5         C  41  -2.716  31.754  45.344
  450    H6     C  41           H6         C  41  -3.809  31.657  43.150
  451   1H5*    U  42          1H5*        U  42  -1.008  29.216  37.483
  452   2H5*    U  42          2H5*        U  42  -0.780  27.470  37.395
  453    H4*    U  42           H4*        U  42   1.274  28.583  37.222
  454    H3*    U  42           H3*        U  42   0.980  26.960  39.798
  455    H2*    U  42           H2*        U  42   3.272  27.647  40.346
  456   2HO*    U  42          2HO*        U  42   4.639  28.478  38.939
  457    H1*    U  42           H1*        U  42   3.075  30.266  39.492
  458    H3     U  42           H3         U  42   3.450  30.948  43.873
  459    H5     U  42           H5         U  42  -0.441  29.445  43.449
  460    H6     U  42           H6         U  42   0.034  29.060  41.122
  461   1H5*    U  43          1H5*        U  43   4.685  25.964  37.835
  462   2H5*    U  43          2H5*        U  43   4.983  24.256  38.150
  463    H4*    U  43           H4*        U  43   6.814  25.754  38.681
  464    H3*    U  43           H3*        U  43   5.737  23.954  40.908
  465    H2*    U  43           H2*        U  43   7.471  24.909  42.353
  466   2HO*    U  43          2HO*        U  43   9.155  26.017  41.632
  467    H1*    U  43           H1*        U  43   7.279  27.524  41.468
  468    H3     U  43           H3         U  43   5.860  27.764  45.717
  469    H5     U  43           H5         U  43   2.539  26.341  43.590
  470    H6     U  43           H6         U  43   3.953  26.131  41.655
  471   1H5*    G  44          1H5*        G  44  10.040  23.673  40.528
  472   2H5*    G  44          2H5*        G  44  10.473  21.995  40.859
  473    H4*    G  44           H4*        G  44  11.780  23.631  42.076
  474    H3*    G  44           H3*        G  44  10.250  21.535  43.667
  475    H2*    G  44           H2*        G  44  11.154  22.590  45.711
  476   2HO*    G  44          2HO*        G  44  12.735  24.004  45.719
  477    H1*    G  44           H1*        G  44  10.678  25.178  45.036
  478    H8     G  44           H8         G  44   7.714  23.267  43.606
  479    H1     G  44           H1         G  44   7.301  24.642  49.855
  480   1H2     G  44          1H2         G  44   9.274  25.423  50.623
  481   2H2     G  44          2H2         G  44  10.603  25.569  49.551
  482   1H5*    C  45          1H5*        C  45  13.907  21.571  45.586
  483   2H5*    C  45          2H5*        C  45  14.383  19.875  45.685
  484    H4*    C  45           H4*        C  45  14.510  20.860  47.797
  485    H3*    C  45           H3*        C  45  12.268  18.795  47.577
  486    H2*    C  45           H2*        C  45  11.813  19.246  49.967
  487   2HO*    C  45          2HO*        C  45  13.133  20.280  51.251
  488    H1*    C  45           H1*        C  45  11.974  21.970  49.844
  489   1H4     C  45          1H4         C  45   5.790  21.019  49.024
  490   2H4     C  45          2H4         C  45   6.016  20.742  47.330
  491    H5     C  45           H5         C  45   8.200  20.652  46.280
  492    H6     C  45           H6         C  45  10.612  20.816  46.694
  493   1H5*    U  46          1H5*        U  46  14.073  17.652  51.038
  494   2H5*    U  46          2H5*        U  46  14.143  15.890  51.035
  495    H4*    U  46           H4*        U  46  13.015  16.725  52.939
  496    H3*    U  46           H3*        U  46  11.279  15.071  51.044
  497    H2*    U  46           H2*        U  46   9.445  15.399  52.669
  498   2HO*    U  46          2HO*        U  46   9.722  16.081  54.646
  499    H1*    U  46           H1*        U  46   9.872  18.062  53.141
  500    H3     U  46           H3         U  46   6.105  18.181  50.745
  501    H5     U  46           H5         U  46   9.109  17.605  47.878
  502    H6     U  46           H6         U  46  10.682  17.335  49.678
  503   1H5*    G  47          1H5*        G  47  10.643  13.780  54.920
  504   2H5*    G  47          2H5*        G  47  10.621  12.017  54.932
  505    H4*    G  47           H4*        G  47   8.760  13.072  56.052
  506    H3*    G  47           H3*        G  47   8.196  11.128  53.789
  507    H2*    G  47           H2*        G  47   5.899  11.625  53.839
  508   2HO*    G  47          2HO*        G  47   4.811  12.093  55.598
  509    H1*    G  47           H1*        G  47   6.065  14.223  55.083
  510    H8     G  47           H8         G  47   7.656  14.569  51.735
  511    H1     G  47           H1         G  47   1.251  14.409  51.494
  512   1H2     G  47          1H2         G  47   0.404  13.717  53.469
  513   2H2     G  47          2H2         G  47   1.466  13.327  54.757
  514   1H5*    A  48          1H5*        A  48   7.034   9.474  57.455
  515   2H5*    A  48          2H5*        A  48   6.949   7.735  57.735
  516    H4*    A  48           H4*        A  48   4.807   8.837  57.568
  517    H3*    A  48           H3*        A  48   5.460   6.532  55.756
  518    H2*    A  48           H2*        A  48   3.749   6.981  54.263
  519   2HO*    A  48          2HO*        A  48   1.742   7.606  54.919
  520    H1*    A  48           H1*        A  48   3.005   9.627  55.332
  521    H8     A  48           H8         A  48   5.974   9.095  52.920
  522   1H6     A  48          1H6         A  48   2.129  11.191  48.574
  523   2H6     A  48          2H6         A  48   3.750  10.698  48.927
  524    H2     A  48           H2         A  48  -0.181  10.744  52.396
  525   1H5*    A  49          1H5*        A  49   3.322   2.821  56.938
  526   2H5*    A  49          2H5*        A  49   3.846   2.646  55.263
  527    H4*    A  49           H4*        A  49   1.779   4.402  56.459
  528    H3*    A  49           H3*        A  49   1.478   2.107  54.895
  529    H2*    A  49           H2*        A  49   2.010   3.070  52.761
  530   2HO*    A  49          2HO*        A  49   0.068   2.806  52.190
  531    H1*    A  49           H1*        A  49   0.867   5.746  53.677
  532    H8     A  49           H8         A  49   4.518   5.124  52.635
  533   1H6     A  49          1H6         A  49   3.073   8.415  47.619
  534   2H6     A  49          2H6         A  49   4.346   7.636  48.497
  535    H2     A  49           H2         A  49  -0.681   7.736  49.984
  536   1H5*    G  50          1H5*        G  50  -2.538   4.764  55.596
  537   2H5*    G  50          2H5*        G  50  -3.659   3.421  55.811
  538    H4*    G  50           H4*        G  50  -4.800   5.218  54.896
  539    H3*    G  50           H3*        G  50  -4.441   2.949  52.879
  540    H2*    G  50           H2*        G  50  -5.733   4.327  51.298
  541   2HO*    G  50          2HO*        G  50  -6.931   5.966  51.856
  542    H1*    G  50           H1*        G  50  -4.554   6.741  51.889
  543    H8     G  50           H8         G  50  -1.500   4.641  51.827
  544    H1     G  50           H1         G  50  -3.998   5.594  46.001
  545   1H2     G  50          1H2         G  50  -6.088   6.432  46.165
  546   2H2     G  50          2H2         G  50  -6.767   6.719  47.713
  547   1H5*    C  51          1H5*        C  51  -8.639   3.732  52.698
  548   2H5*    C  51          2H5*        C  51  -9.360   2.122  52.672
  549    H4*    C  51           H4*        C  51 -10.123   3.516  50.895
  550    H3*    C  51           H3*        C  51  -8.623   0.989  50.054
  551    H2*    C  51           H2*        C  51  -9.074   1.661  47.723
  552   2HO*    C  51          2HO*        C  51 -10.506   3.101  47.160
  553    H1*    C  51           H1*        C  51  -8.513   4.333  48.015
  554   1H4     C  51          1H4         C  51  -3.037   2.049  45.856
  555   2H4     C  51          2H4         C  51  -2.556   1.586  47.454
  556    H5     C  51           H5         C  51  -4.006   1.785  49.386
  557    H6     C  51           H6         C  51  -6.236   2.486  50.134
  558   1H5*    G  52          1H5*        G  52 -12.163   1.054  47.630
  559   2H5*    G  52          2H5*        G  52 -12.624  -0.646  47.532
  560    H4*    G  52           H4*        G  52 -12.375   0.411  45.397
  561    H3*    G  52           H3*        G  52 -10.538  -1.967  45.964
  562    H2*    G  52           H2*        G  52  -9.669  -1.667  43.677
  563   2HO*    G  52          2HO*        G  52 -10.629  -0.545  42.178
  564    H1*    G  52           H1*        G  52  -9.507   1.076  43.718
  565    H8     G  52           H8         G  52  -8.299  -0.239  47.105
  566    H1     G  52           H1         G  52  -3.882  -0.130  42.460
  567   1H2     G  52          1H2         G  52  -4.839   0.336  40.470
  568   2H2     G  52          2H2         G  52  -6.532   0.601  40.386
  569   1H5*    C  53          1H5*        C  53 -12.356  -2.679  42.085
  570   2H5*    C  53          2H5*        C  53 -12.569  -4.430  42.037
  571    H4*    C  53           H4*        C  53 -11.367  -3.516  40.161
  572    H3*    C  53           H3*        C  53  -9.922  -5.609  41.860
  573    H2*    C  53           H2*        C  53  -8.046  -5.407  40.280
  574   2HO*    C  53          2HO*        C  53  -8.193  -4.553  38.362
  575    H1*    C  53           H1*        C  53  -8.108  -2.667  40.002
  576   1H4     C  53          1H4         C  53  -3.596  -3.407  44.347
  577   2H4     C  53          2H4         C  53  -4.770  -3.633  45.599
  578    H5     C  53           H5         C  53  -7.155  -3.738  45.179
  579    H6     C  53           H6         C  53  -8.871  -3.639  43.427
  580   1H5*    G  54          1H5*        G  54  -9.644  -7.365  37.785
  581   2H5*    G  54          2H5*        G  54  -9.326  -9.057  38.171
  582    H4*    G  54           H4*        G  54  -7.628  -7.676  36.906
  583    H3*    G  54           H3*        G  54  -6.868  -9.592  39.166
  584    H2*    G  54           H2*        G  54  -4.539  -8.924  38.787
  585   2HO*    G  54          2HO*        G  54  -3.840  -7.979  37.034
  586    H1*    G  54           H1*        G  54  -5.000  -6.229  38.368
  587    H8     G  54           H8         G  54  -7.136  -6.864  41.364
  588    H1     G  54           H1         G  54  -0.864  -6.722  42.685
  589   1H2     G  54          1H2         G  54   0.345  -6.813  40.783
  590   2H2     G  54          2H2         G  54  -0.458  -6.904  39.271
  591   1H5*    C  55          1H5*        C  55  -4.232 -11.122  36.381
  592   2H5*    C  55          2H5*        C  55  -4.437 -12.870  36.487
  593    H4*    C  55           H4*        C  55  -2.199 -12.229  36.852
  594    H3*    C  55           H3*        C  55  -3.567 -13.485  39.284
  595    H2*    C  55           H2*        C  55  -1.443 -13.246  40.467
  596   2HO*    C  55          2HO*        C  55   0.410 -13.098  39.541
  597    H1*    C  55           H1*        C  55  -0.715 -10.776  39.421
  598   1H4     C  55          1H4         C  55  -2.891  -9.192  45.125
  599   2H4     C  55          2H4         C  55  -4.533  -9.369  44.604
  600    H5     C  55           H5         C  55  -5.148 -10.169  42.401
  601    H6     C  55           H6         C  55  -4.260 -10.963  40.256
  602   1H5*    A  56          1H5*        A  56  -1.403 -17.686  40.564
  603   2H5*    A  56          2H5*        A  56  -1.943 -16.351  41.582
  604    H4*    A  56           H4*        A  56   0.852 -17.082  40.804
  605    H3*    A  56           H3*        A  56  -0.613 -17.523  43.386
  606    H2*    A  56           H2*        A  56   1.280 -16.628  44.606
  607   2HO*    A  56          2HO*        A  56   3.233 -16.404  43.814
  608    H1*    A  56           H1*        A  56   1.893 -14.419  43.168
  609    H8     A  56           H8         A  56  -1.719 -14.146  42.627
  610   1H6     A  56          1H6         A  56  -2.198 -12.031  48.403
  611   2H6     A  56          2H6         A  56  -3.004 -12.226  46.885
  612    H2     A  56           H2         A  56   1.898 -13.791  47.886
  613   1H5*    C  57          1H5*        C  57   3.137 -18.887  44.206
  614   2H5*    C  57          2H5*        C  57   2.950 -20.562  44.726
  615    H4*    C  57           H4*        C  57   4.343 -19.192  46.173
  616    H3*    C  57           H3*        C  57   1.943 -20.621  47.369
  617    H2*    C  57           H2*        C  57   2.541 -19.594  49.536
  618   2HO*    C  57          2HO*        C  57   4.393 -18.685  49.944
  619    H1*    C  57           H1*        C  57   2.968 -17.065  48.657
  620   1H4     C  57          1H4         C  57  -3.216 -17.276  50.118
  621   2H4     C  57          2H4         C  57  -3.573 -17.220  48.425
  622    H5     C  57           H5         C  57  -1.875 -17.388  46.703
  623    H6     C  57           H6         C  57   0.532 -17.648  46.304
  624   1H5*    G  58          1H5*        G  58   5.043 -21.304  50.004
  625   2H5*    G  58          2H5*        G  58   5.061 -23.027  50.378
  626    H4*    G  58           H4*        G  58   5.093 -21.487  52.281
  627    H3*    G  58           H3*        G  58   2.955 -23.670  52.159
  628    H2*    G  58           H2*        G  58   2.170 -22.836  54.343
  629   2HO*    G  58          2HO*        G  58   3.298 -21.607  55.616
  630    H1*    G  58           H1*        G  58   2.364 -20.153  53.785
  631    H8     G  58           H8         G  58   0.891 -21.198  50.564
  632    H1     G  58           H1         G  58  -3.264 -21.605  55.432
  633   1H2     G  58          1H2         G  58  -2.182 -21.459  57.407
  634   2H2     G  58          2H2         G  58  -0.478 -21.265  57.428
  635   1H5*    G  59          1H5*        G  59   4.523 -24.764  55.875
  636   2H5*    G  59          2H5*        G  59   4.418 -26.525  55.897
  637    H4*    G  59           H4*        G  59   3.142 -25.347  57.610
  638    H3*    G  59           H3*        G  59   1.685 -27.321  55.785
  639    H2*    G  59           H2*        G  59  -0.347 -26.819  57.082
  640   2HO*    G  59          2HO*        G  59  -0.351 -25.928  58.978
  641    H1*    G  59           H1*        G  59   0.022 -24.099  57.275
  642    H8     G  59           H8         G  59   0.961 -24.640  53.704
  643    H1     G  59           H1         G  59  -5.347 -25.057  54.774
  644   1H2     G  59          1H2         G  59  -5.765 -25.196  56.988
  645   2H2     G  59          2H2         G  59  -4.459 -25.177  58.101
  646   1H5*    C  60          1H5*        C  60   0.421 -28.654  59.686
  647   2H5*    C  60          2H5*        C  60   0.549 -30.406  59.524
  648    H4*    C  60           H4*        C  60  -1.598 -29.665  60.281
  649    H3*    C  60           H3*        C  60  -1.544 -31.200  57.637
  650    H2*    C  60           H2*        C  60  -4.001 -30.987  57.620
  651   2HO*    C  60          2HO*        C  60  -5.159 -30.455  59.304
  652    H1*    C  60           H1*        C  60  -4.132 -28.366  58.432
  653   1H4     C  60          1H4         C  60  -4.481 -27.890  52.140
  654   2H4     C  60          2H4         C  60  -2.753 -27.871  52.016
  655    H5     C  60           H5         C  60  -1.283 -28.205  53.914
  656    H6     C  60           H6         C  60  -1.220 -28.629  56.330
  657   1H5*    A  61          1H5*        A  61  -4.664 -32.912  60.139
  658   2H5*    A  61          2H5*        A  61  -4.548 -34.641  59.812
  659    H4*    A  61           H4*        A  61  -6.764 -33.741  59.572
  660    H3*    A  61           H3*        A  61  -5.530 -35.059  57.105
  661    H2*    A  61           H2*        A  61  -7.676 -34.591  55.964
  662   2HO*    A  61          2HO*        A  61  -9.451 -33.997  56.973
  663    H1*    A  61           H1*        A  61  -7.995 -32.029  56.864
  664    H8     A  61           H8         A  61  -4.281 -32.510  56.134
  665   1H6     A  61          1H6         A  61  -5.642 -30.812  50.361
  666   2H6     A  61          2H6         A  61  -4.372 -31.167  51.482
  667    H2     A  61           H2         A  61  -9.489 -31.364  52.608
  668   1H5*    A  62          1H5*        A  62  -9.515 -36.753  57.686
  669   2H5*    A  62          2H5*        A  62  -9.448 -38.330  56.898
  670    H4*    A  62           H4*        A  62 -11.117 -36.609  56.139
  671    H3*    A  62           H3*        A  62  -9.444 -38.250  54.173
  672    H2*    A  62           H2*        A  62 -10.608 -37.048  52.374
  673   2HO*    A  62          2HO*        A  62 -12.452 -36.163  52.579
  674    H1*    A  62           H1*        A  62 -10.586 -34.549  53.542
  675    H8     A  62           H8         A  62  -7.116 -35.797  54.215
  676   1H6     A  62          1H6         A  62  -5.715 -34.105  48.449
  677   2H6     A  62          2H6         A  62  -5.087 -34.632  49.974
  678    H2     A  62           H2         A  62 -10.173 -33.903  48.928
  679   1H5*    G  63          1H5*        G  63 -13.457 -40.460  51.574
  680   2H5*    G  63          2H5*        G  63 -11.790 -40.724  51.061
  681    H4*    G  63           H4*        G  63 -13.846 -38.917  50.083
  682    H3*    G  63           H3*        G  63 -11.603 -40.465  48.750
  683    H2*    G  63           H2*        G  63 -11.574 -38.736  46.993
  684   2HO*    G  63          2HO*        G  63 -13.094 -37.268  46.741
  685    H1*    G  63           H1*        G  63 -11.647 -36.543  48.584
  686    H8     G  63           H8         G  63  -9.473 -38.171  50.942
  687    H1     G  63           H1         G  63  -6.539 -37.355  45.301
  688   1H2     G  63          1H2         G  63  -8.045 -36.894  43.687
  689   2H2     G  63          2H2         G  63  -9.712 -36.806  44.082
  690   1H5*    A  64          1H5*        A  64 -14.668 -41.576  45.625
  691   2H5*    A  64          2H5*        A  64 -14.275 -43.287  45.460
  692    H4*    A  64           H4*        A  64 -14.089 -41.955  43.430
  693    H3*    A  64           H3*        A  64 -11.653 -43.551  44.359
  694    H2*    A  64           H2*        A  64 -10.512 -42.713  42.331
  695   2HO*    A  64          2HO*        A  64 -11.570 -41.601  40.763
  696    H1*    A  64           H1*        A  64 -11.356 -40.114  42.508
  697    H8     A  64           H8         A  64 -10.721 -40.208  46.033
  698   1H6     A  64          1H6         A  64  -4.658 -40.569  44.946
  699   2H6     A  64          2H6         A  64  -5.879 -40.256  46.132
  700    H2     A  64           H2         A  64  -6.828 -41.493  41.128
  701   1H5*    G  65          1H5*        G  65 -11.745 -45.195  41.267
  702   2H5*    G  65          2H5*        G  65 -12.401 -46.821  41.071
  703    H4*    G  65           H4*        G  65 -10.407 -47.804  41.003
  704    H3*    G  65           H3*        G  65  -9.523 -46.576  43.236
  705    H2*    G  65           H2*        G  65  -9.064 -44.363  42.250
  706   2HO*    G  65          2HO*        G  65  -6.893 -44.233  41.937
  707    H1*    G  65           H1*        G  65  -7.730 -45.760  39.903
  708    H8     G  65           H8         G  65 -10.836 -43.512  39.541
  709    H1     G  65           H1         G  65  -5.240 -40.879  37.853
  710   1H2     G  65          1H2         G  65  -3.527 -42.235  38.417
  711   2H2     G  65          2H2         G  65  -3.849 -43.734  39.185
  712   1H5*    G  66          1H5*        G  66  -5.958 -50.016  42.882
  713   2H5*    G  66          2H5*        G  66  -5.430 -49.467  44.472
  714    H4*    G  66           H4*        G  66  -5.988 -47.842  42.035
  715    H3*    G  66           H3*        G  66  -3.449 -48.865  43.038
  716    H2*    G  66           H2*        G  66  -2.798 -46.921  44.147
  717   2HO*    G  66          2HO*        G  66  -2.268 -45.199  42.865
  718    H1*    G  66           H1*        G  66  -4.897 -45.210  42.750
  719    H8     G  66           H8         G  66  -3.993 -43.026  43.842
  720    H1     G  66           H1         G  66  -4.930 -45.584  49.647
  721   1H2     G  66          1H2         G  66  -5.442 -47.776  49.471
  722   2H2     G  66          2H2         G  66  -5.525 -48.505  47.921
  723   1H5*    C  67          1H5*        C  67  -2.058 -49.636  37.831
  724   2H5*    C  67          2H5*        C  67  -1.597 -48.819  39.324
  725    H4*    C  67           H4*        C  67  -2.679 -47.619  36.819
  726    H3*    C  67           H3*        C  67   0.157 -47.627  37.900
  727    H2*    C  67           H2*        C  67   0.354 -45.286  37.151
  728   2HO*    C  67          2HO*        C  67  -0.636 -45.421  35.239
  729    H1*    C  67           H1*        C  67  -2.009 -44.357  38.099
  730   1H4     C  67          1H4         C  67   1.850 -43.357  42.996
  731   2H4     C  67          2H4         C  67   1.470 -44.918  43.643
  732    H5     C  67           H5         C  67   0.099 -46.541  42.476
  733    H6     C  67           H6         C  67  -1.180 -46.952  40.423
  734   1H5*    G  68          1H5*        G  68   1.702 -46.770  34.231
  735   2H5*    G  68          2H5*        G  68   2.817 -48.104  33.933
  736    H4*    G  68           H4*        G  68   3.992 -46.073  33.911
  737    H3*    G  68           H3*        G  68   4.691 -47.887  36.241
  738    H2*    G  68           H2*        G  68   6.234 -46.131  37.027
  739   2HO*    G  68          2HO*        G  68   6.865 -44.491  35.857
  740    H1*    G  68           H1*        G  68   4.588 -43.995  36.745
  741    H8     G  68           H8         G  68   2.008 -46.454  37.808
  742    H1     G  68           H1         G  68   5.880 -44.603  42.571
  743   1H2     G  68          1H2         G  68   7.680 -43.517  41.748
  744   2H2     G  68          2H2         G  68   7.838 -43.299  40.054
  745   1H5*    U  69          1H5*        U  69   8.399 -46.415  34.924
  746   2H5*    U  69          2H5*        U  69   9.411 -47.852  34.775
  747    H4*    U  69           H4*        U  69  10.458 -46.135  36.036
  748    H3*    U  69           H3*        U  69   9.880 -48.715  37.572
  749    H2*    U  69           H2*        U  69  10.989 -47.643  39.504
  750   2HO*    U  69          2HO*        U  69  12.171 -45.887  39.370
  751    H1*    U  69           H1*        U  69   9.813 -45.183  39.258
  752    H3     U  69           H3         U  69   7.744 -46.741  42.891
  753    H5     U  69           H5         U  69   5.841 -48.727  39.726
  754    H6     U  69           H6         U  69   7.470 -47.772  38.236
  755   1H5*    C  70          1H5*        C  70  13.837 -47.972  38.756
  756   2H5*    C  70          2H5*        C  70  14.625 -49.493  38.341
  757    H4*    C  70           H4*        C  70  15.165 -48.961  40.518
  758    H3*    C  70           H3*        C  70  13.206 -51.310  40.403
  759    H2*    C  70           H2*        C  70  13.344 -51.401  42.842
  760   2HO*    C  70          2HO*        C  70  14.887 -50.487  43.991
  761    H1*    C  70           H1*        C  70  13.419 -48.662  43.308
  762   1H4     C  70          1H4         C  70   7.419 -50.153  44.604
  763   2H4     C  70          2H4         C  70   7.000 -50.076  42.927
  764    H5     C  70           H5         C  70   8.627 -49.720  41.166
  765    H6     C  70           H6         C  70  11.012 -49.365  40.706
  766    H3T    C  70           H3T        C  70  15.454 -51.920  41.390
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   2.741 -48.510  55.940
    2   2H5*    G   1          2H5*        G   1   2.363 -49.365  54.427
    3    H4*    G   1           H4*        G   1   5.054 -48.878  55.610
    4    H3*    G   1           H3*        G   1   3.674 -47.370  53.337
    5    H2*    G   1           H2*        G   1   5.893 -47.202  52.279
    6   2HO*    G   1          2HO*        G   1   7.721 -47.555  53.289
    7    H1*    G   1           H1*        G   1   6.732 -49.765  52.810
    8    H8     G   1           H8         G   1   3.036 -49.730  51.719
    9    H1     G   1           H1         G   1   7.348 -50.135  46.992
   10   1H2     G   1          1H2         G   1   9.434 -49.842  47.800
   11   2H2     G   1          2H2         G   1   9.663 -49.561  49.476
   12    H5T    G   1           H5T        G   1   2.234 -50.731  56.276
   13   1H5*    A   2          1H5*        A   2   7.217 -45.228  54.194
   14   2H5*    A   2          2H5*        A   2   6.753 -43.530  54.097
   15    H4*    A   2           H4*        A   2   8.644 -44.110  52.746
   16    H3*    A   2           H3*        A   2   6.204 -42.978  51.302
   17    H2*    A   2           H2*        A   2   7.362 -43.225  49.216
   18   2HO*    A   2          2HO*        A   2   9.485 -43.279  49.009
   19    H1*    A   2           H1*        A   2   8.911 -45.497  49.884
   20    H8     A   2           H8         A   2   5.252 -46.272  50.461
   21   1H6     A   2          1H6         A   2   5.016 -47.798  44.488
   22   2H6     A   2          2H6         A   2   4.174 -47.816  46.000
   23    H2     A   2           H2         A   2   8.971 -45.830  45.280
   24   1H5*    C   3          1H5*        C   3   9.755 -40.952  49.693
   25   2H5*    C   3          2H5*        C   3   9.223 -39.271  49.716
   26    H4*    C   3           H4*        C   3  10.134 -39.792  47.632
   27    H3*    C   3           H3*        C   3   7.116 -39.312  47.523
   28    H2*    C   3           H2*        C   3   7.281 -39.664  45.091
   29   2HO*    C   3          2HO*        C   3   9.072 -39.568  43.998
   30    H1*    C   3           H1*        C   3   9.019 -41.798  45.159
   31   1H4     C   3          1H4         C   3   3.688 -45.113  44.855
   32   2H4     C   3          2H4         C   3   2.979 -44.258  46.183
   33    H5     C   3           H5         C   3   4.114 -42.476  47.372
   34    H6     C   3           H6         C   3   6.190 -41.173  47.490
   35   1H5*    G   4          1H5*        G   4   8.748 -36.994  44.338
   36   2H5*    G   4          2H5*        G   4   7.896 -35.455  44.463
   37    H4*    G   4           H4*        G   4   7.855 -36.422  42.262
   38    H3*    G   4           H3*        G   4   5.159 -35.931  43.613
   39    H2*    G   4           H2*        G   4   4.122 -36.784  41.532
   40   2HO*    G   4          2HO*        G   4   5.266 -35.907  40.000
   41    H1*    G   4           H1*        G   4   5.764 -38.938  41.183
   42    H8     G   4           H8         G   4   5.325 -38.960  44.915
   43    H1     G   4           H1         G   4   0.259 -41.184  41.675
   44   1H2     G   4          1H2         G   4   0.457 -40.709  39.478
   45   2H2     G   4          2H2         G   4   1.838 -39.864  38.915
   46   1H5*    G   5          1H5*        G   5   2.263 -32.884  41.368
   47   2H5*    G   5          2H5*        G   5   2.015 -34.194  42.522
   48    H4*    G   5           H4*        G   5   1.963 -34.417  39.553
   49    H3*    G   5           H3*        G   5  -0.399 -34.036  41.433
   50    H2*    G   5           H2*        G   5  -1.631 -35.661  40.032
   51   2HO*    G   5          2HO*        G   5  -0.994 -36.296  38.115
   52    H1*    G   5           H1*        G   5   0.332 -37.525  39.809
   53    H8     G   5           H8         G   5   1.101 -36.687  43.305
   54    H1     G   5           H1         G   5  -4.513 -39.720  42.691
   55   1H2     G   5          1H2         G   5  -5.173 -39.731  40.533
   56   2H2     G   5          2H2         G   5  -4.189 -38.987  39.341
   57   1H5*    C   6          1H5*        C   6  -2.454 -33.847  38.130
   58   2H5*    C   6          2H5*        C   6  -3.288 -32.293  38.109
   59    H4*    C   6           H4*        C   6  -4.832 -33.998  37.755
   60    H3*    C   6           H3*        C   6  -5.168 -32.659  40.477
   61    H2*    C   6           H2*        C   6  -7.091 -34.178  40.835
   62   2HO*    C   6          2HO*        C   6  -7.962 -35.371  39.283
   63    H1*    C   6           H1*        C   6  -5.907 -36.463  39.931
   64   1H4     C   6          1H4         C   6  -4.703 -36.718  46.125
   65   2H4     C   6          2H4         C   6  -3.271 -35.766  45.919
   66    H5     C   6           H5         C   6  -2.630 -34.773  43.803
   67    H6     C   6           H6         C   6  -3.277 -34.519  41.450
   68   1H5*    U   7          1H5*        U   7  -8.639 -31.042  38.880
   69   2H5*    U   7          2H5*        U   7  -8.658 -29.297  39.138
   70    H4*    U   7           H4*        U   7 -10.442 -30.397  40.244
   71    H3*    U   7           H3*        U   7  -8.437 -29.001  42.086
   72    H2*    U   7           H2*        U   7  -9.831 -29.706  43.962
   73   2HO*    U   7          2HO*        U   7 -11.857 -30.349  43.775
   74    H1*    U   7           H1*        U   7 -10.509 -32.222  42.993
   75    H3     U   7           H3         U   7  -8.148 -33.371  46.592
   76    H5     U   7           H5         U   7  -5.237 -32.023  43.893
   77    H6     U   7           H6         U   7  -7.013 -31.347  42.418
   78   1H5*    U   8          1H5*        U   8 -12.406 -27.728  43.067
   79   2H5*    U   8          2H5*        U   8 -12.313 -26.048  43.597
   80    H4*    U   8           H4*        U   8 -13.437 -27.586  45.110
   81    H3*    U   8           H3*        U   8 -11.085 -25.947  46.178
   82    H2*    U   8           H2*        U   8 -11.477 -27.000  48.347
   83   2HO*    U   8          2HO*        U   8 -13.283 -28.026  48.874
   84    H1*    U   8           H1*        U   8 -12.106 -29.541  47.416
   85    H3     U   8           H3         U   8  -8.322 -30.139  49.765
   86    H5     U   8           H5         U   8  -7.037 -28.699  46.042
   87    H6     U   8           H6         U   8  -9.339 -28.287  45.482
   88   1H5*    G   9          1H5*        G   9 -14.638 -25.595  48.702
   89   2H5*    G   9          2H5*        G   9 -14.656 -23.933  49.291
   90    H4*    G   9           H4*        G   9 -14.995 -25.604  51.006
   91    H3*    G   9           H3*        G   9 -12.661 -23.677  51.323
   92    H2*    G   9           H2*        G   9 -12.128 -24.848  53.435
   93   2HO*    G   9          2HO*        G   9 -13.441 -26.211  54.401
   94    H1*    G   9           H1*        G   9 -12.373 -27.395  52.523
   95    H8     G   9           H8         G   9 -10.873 -25.468  49.601
   96    H1     G   9           H1         G   9  -6.675 -27.332  54.074
   97   1H2     G   9          1H2         G   9  -7.756 -28.112  55.895
   98   2H2     G   9          2H2         G   9  -9.471 -28.138  55.917
   99   1H5*    C  10          1H5*        C  10 -14.235 -23.732  55.122
  100   2H5*    C  10          2H5*        C  10 -14.444 -22.035  55.558
  101    H4*    C  10           H4*        C  10 -13.254 -23.124  57.235
  102    H3*    C  10           H3*        C  10 -11.536 -21.139  55.676
  103    H2*    C  10           H2*        C  10  -9.689 -21.747  57.207
  104   2HO*    C  10          2HO*        C  10  -9.952 -22.798  59.019
  105    H1*    C  10           H1*        C  10 -10.071 -24.450  57.157
  106   1H4     C  10          1H4         C  10  -5.808 -23.682  52.567
  107   2H4     C  10          2H4         C  10  -7.049 -23.292  51.424
  108    H5     C  10           H5         C  10  -9.384 -23.055  52.030
  109    H6     C  10           H6         C  10 -10.974 -23.155  53.897
  110   1H5*    U  11          1H5*        U  11 -10.672 -20.166  59.541
  111   2H5*    U  11          2H5*        U  11 -10.619 -18.407  59.645
  112    H4*    U  11           H4*        U  11  -8.606 -19.374  60.401
  113    H3*    U  11           H3*        U  11  -8.323 -17.695  57.863
  114    H2*    U  11           H2*        U  11  -5.898 -18.186  57.985
  115   2HO*    U  11          2HO*        U  11  -4.935 -18.973  59.691
  116    H1*    U  11           H1*        U  11  -6.114 -20.850  58.555
  117    H3     U  11           H3         U  11  -4.721 -20.996  54.318
  118    H5     U  11           H5         U  11  -8.802 -20.087  54.004
  119    H6     U  11           H6         U  11  -8.868 -19.865  56.398
  120   1H5*    G  12          1H5*        G  12  -5.338 -16.650  60.480
  121   2H5*    G  12          2H5*        G  12  -5.207 -14.892  60.539
  122    H4*    G  12           H4*        G  12  -3.123 -16.065  60.202
  123    H3*    G  12           H3*        G  12  -3.983 -13.985  58.168
  124    H2*    G  12           H2*        G  12  -2.210 -14.545  56.730
  125   2HO*    G  12          2HO*        G  12  -0.281 -15.185  57.389
  126    H1*    G  12           H1*        G  12  -1.699 -17.209  57.721
  127    H8     G  12           H8         G  12  -5.050 -17.287  56.091
  128    H1     G  12           H1         G  12  -0.183 -17.349  51.918
  129   1H2     G  12          1H2         G  12   1.751 -16.818  52.953
  130   2H2     G  12          2H2         G  12   1.747 -16.474  54.633
  131   1H5*    A  13          1H5*        A  13  -0.521 -12.823  60.021
  132   2H5*    A  13          2H5*        A  13  -0.091 -11.138  60.312
  133    H4*    A  13           H4*        A  13   1.398 -12.288  58.812
  134    H3*    A  13           H3*        A  13   0.025  -9.778  57.930
  135    H2*    A  13           H2*        A  13   0.325 -10.160  55.672
  136   2HO*    A  13          2HO*        A  13   2.264 -10.917  54.868
  137    H1*    A  13           H1*        A  13   1.434 -12.899  55.920
  138    H8     A  13           H8         A  13  -2.347 -12.140  55.789
  139   1H6     A  13          1H6         A  13  -1.971 -13.988  49.915
  140   2H6     A  13          2H6         A  13  -3.032 -13.494  51.190
  141    H2     A  13           H2         A  13   2.181 -13.854  51.614
  142   1H5*    A  14          1H5*        A  14   2.753  -6.314  57.819
  143   2H5*    A  14          2H5*        A  14   1.296  -5.926  56.901
  144    H4*    A  14           H4*        A  14   3.475  -7.853  56.334
  145    H3*    A  14           H3*        A  14   2.849  -5.407  55.106
  146    H2*    A  14           H2*        A  14   1.053  -6.167  53.720
  147   2HO*    A  14          2HO*        A  14   3.191  -7.409  52.404
  148    H1*    A  14           H1*        A  14   2.311  -8.943  53.580
  149    H8     A  14           H8         A  14  -1.136  -8.078  55.070
  150   1H6     A  14          1H6         A  14  -3.383 -11.071  50.165
  151   2H6     A  14          2H6         A  14  -3.770 -10.293  51.661
  152    H2     A  14           H2         A  14   1.070 -10.759  49.701
  153   1H5*    G  15          1H5*        G  15   5.795  -4.792  50.940
  154   2H5*    G  15          2H5*        G  15   4.188  -5.507  51.065
  155    H4*    G  15           H4*        G  15   6.642  -6.961  50.210
  156    H3*    G  15           H3*        G  15   4.758  -5.407  48.408
  157    H2*    G  15           H2*        G  15   4.868  -7.293  46.820
  158   2HO*    G  15          2HO*        G  15   6.948  -7.782  46.890
  159    H1*    G  15           H1*        G  15   4.525  -9.323  48.583
  160    H8     G  15           H8         G  15   2.128  -7.422  50.431
  161    H1     G  15           H1         G  15   0.094  -8.375  44.426
  162   1H2     G  15          1H2         G  15   1.807  -9.021  43.106
  163   2H2     G  15          2H2         G  15   3.377  -9.189  43.775
  164   1H5*    C  16          1H5*        C  16   7.926  -5.386  45.768
  165   2H5*    C  16          2H5*        C  16   8.165  -3.741  45.178
  166    H4*    C  16           H4*        C  16   7.664  -5.272  43.432
  167    H3*    C  16           H3*        C  16   5.610  -3.047  43.853
  168    H2*    C  16           H2*        C  16   4.395  -3.989  41.925
  169   2HO*    C  16          2HO*        C  16   5.233  -5.368  40.552
  170    H1*    C  16           H1*        C  16   4.673  -6.637  42.594
  171   1H4     C  16          1H4         C  16  -1.028  -5.152  44.899
  172   2H4     C  16          2H4         C  16  -0.319  -4.685  46.407
  173    H5     C  16           H5         C  16   2.075  -4.599  46.779
  174    H6     C  16           H6         C  16   4.264  -4.957  45.728
  175   1H5*    G  17          1H5*        G  17   6.190  -3.074  39.670
  176   2H5*    G  17          2H5*        G  17   6.460  -1.371  39.299
  177    H4*    G  17           H4*        G  17   4.818  -2.222  37.887
  178    H3*    G  17           H3*        G  17   3.696  -0.236  39.922
  179    H2*    G  17           H2*        G  17   1.507  -0.564  38.818
  180   2HO*    G  17          2HO*        G  17   1.258  -1.480  36.929
  181    H1*    G  17           H1*        G  17   1.640  -3.287  38.583
  182    H8     G  17           H8         G  17   3.114  -2.247  41.978
  183    H1     G  17           H1         G  17  -3.240  -3.089  41.841
  184   1H2     G  17          1H2         G  17  -3.952  -3.378  39.720
  185   2H2     G  17          2H2         G  17  -2.819  -3.352  38.433
  186   1H5*    C  18          1H5*        C  18   2.231   0.856  36.058
  187   2H5*    C  18          2H5*        C  18   2.182   2.619  36.046
  188    H4*    C  18           H4*        C  18   0.110   1.603  35.423
  189    H3*    C  18           H3*        C  18   0.050   3.368  37.919
  190    H2*    C  18           H2*        C  18  -2.368   2.909  38.025
  191   2HO*    C  18          2HO*        C  18  -3.502   2.139  36.423
  192    H1*    C  18           H1*        C  18  -2.245   0.228  37.422
  193   1H4     C  18          1H4         C  18  -2.467   0.050  43.720
  194   2H4     C  18          2H4         C  18  -0.803   0.512  43.846
  195    H5     C  18           H5         C  18   0.567   1.083  41.929
  196    H6     C  18           H6         C  18   0.569   1.314  39.487
  197   1H5*    G  19          1H5*        G  19  -3.207   4.745  35.615
  198   2H5*    G  19          2H5*        G  19  -3.282   6.483  35.908
  199    H4*    G  19           H4*        G  19  -5.309   5.302  36.432
  200    H3*    G  19           H3*        G  19  -3.969   6.835  38.714
  201    H2*    G  19           H2*        G  19  -5.852   6.124  40.127
  202   2HO*    G  19          2HO*        G  19  -7.688   5.396  39.384
  203    H1*    G  19           H1*        G  19  -6.039   3.536  39.196
  204    H8     G  19           H8         G  19  -2.329   4.292  39.648
  205    H1     G  19           H1         G  19  -5.419   2.565  44.994
  206   1H2     G  19          1H2         G  19  -7.647   2.519  44.638
  207   2H2     G  19          2H2         G  19  -8.267   2.919  43.090
  208   1H5*    C  20          1H5*        C  20  -7.945   8.045  38.972
  209   2H5*    C  20          2H5*        C  20  -7.889   9.788  39.232
  210    H4*    C  20           H4*        C  20  -9.188   8.695  40.871
  211    H3*    C  20           H3*        C  20  -6.657  10.037  41.944
  212    H2*    C  20           H2*        C  20  -7.361   9.314  44.176
  213   2HO*    C  20          2HO*        C  20  -9.331   8.720  44.671
  214    H1*    C  20           H1*        C  20  -8.314   6.811  43.463
  215   1H4     C  20          1H4         C  20  -2.636   5.291  45.724
  216   2H4     C  20          2H4         C  20  -1.829   6.028  44.380
  217    H5     C  20           H5         C  20  -2.997   7.217  42.620
  218    H6     C  20           H6         C  20  -5.211   7.923  41.827
  219   1H5*    A  21          1H5*        A  21  -7.196  13.961  44.508
  220   2H5*    A  21          2H5*        A  21  -6.046  12.641  44.725
  221    H4*    A  21           H4*        A  21  -8.432  13.354  46.366
  222    H3*    A  21           H3*        A  21  -5.485  13.549  46.968
  223    H2*    A  21           H2*        A  21  -5.920  12.661  49.200
  224   2HO*    A  21          2HO*        A  21  -7.836  12.562  50.101
  225    H1*    A  21           H1*        A  21  -7.574  10.602  48.607
  226    H8     A  21           H8         A  21  -5.487  10.265  45.597
  227   1H6     A  21          1H6         A  21  -1.177   7.648  49.152
  228   2H6     A  21          2H6         A  21  -1.694   7.953  47.529
  229    H2     A  21           H2         A  21  -4.238   9.550  51.826
  230   1H5*    C  22          1H5*        C  22  -7.223  15.024  50.334
  231   2H5*    C  22          2H5*        C  22  -6.593  16.657  50.546
  232    H4*    C  22           H4*        C  22  -6.532  15.289  52.546
  233    H3*    C  22           H3*        C  22  -3.935  16.499  51.535
  234    H2*    C  22           H2*        C  22  -2.797  15.378  53.421
  235   2HO*    C  22          2HO*        C  22  -3.797  14.544  55.080
  236    H1*    C  22           H1*        C  22  -3.950  12.936  53.167
  237   1H4     C  22          1H4         C  22   1.237  12.694  49.500
  238   2H4     C  22          2H4         C  22   0.205  12.724  48.111
  239    H5     C  22           H5         C  22  -2.187  13.097  48.242
  240    H6     C  22           H6         C  22  -4.051  13.522  49.782
  241   1H5*    G  23          1H5*        G  23  -3.914  17.209  55.539
  242   2H5*    G  23          2H5*        G  23  -3.585  18.920  55.810
  243    H4*    G  23           H4*        G  23  -2.229  17.371  57.099
  244    H3*    G  23           H3*        G  23  -0.802  19.414  55.325
  245    H2*    G  23           H2*        G  23   1.312  18.489  56.184
  246   2HO*    G  23          2HO*        G  23   1.474  17.321  57.921
  247    H1*    G  23           H1*        G  23   0.600  15.832  56.087
  248    H8     G  23           H8         G  23  -0.781  16.764  52.808
  249    H1     G  23           H1         G  23   5.627  16.939  52.895
  250   1H2     G  23          1H2         G  23   6.390  16.885  55.018
  251   2H2     G  23          2H2         G  23   5.273  16.806  56.319
  252   1H5*    G  24          1H5*        G  24   1.021  20.565  58.897
  253   2H5*    G  24          2H5*        G  24   1.205  22.313  58.765
  254    H4*    G  24           H4*        G  24   3.263  21.012  58.964
  255    H3*    G  24           H3*        G  24   2.952  22.944  56.614
  256    H2*    G  24           H2*        G  24   5.225  22.287  55.938
  257   2HO*    G  24          2HO*        G  24   6.617  21.369  57.205
  258    H1*    G  24           H1*        G  24   4.981  19.589  56.446
  259    H8     G  24           H8         G  24   1.719  20.230  54.764
  260    H1     G  24           H1         G  24   6.707  20.293  50.736
  261   1H2     G  24          1H2         G  24   8.648  20.384  51.884
  262   2H2     G  24          2H2         G  24   8.618  20.423  53.599
  263   1H5*    C  25          1H5*        C  25   6.776  24.168  58.225
  264   2H5*    C  25          2H5*        C  25   6.634  25.926  58.176
  265    H4*    C  25           H4*        C  25   8.599  25.113  57.095
  266    H3*    C  25           H3*        C  25   6.626  26.632  55.321
  267    H2*    C  25           H2*        C  25   8.250  26.316  53.486
  268   2HO*    C  25          2HO*        C  25  10.261  25.752  53.767
  269    H1*    C  25           H1*        C  25   8.862  23.695  54.008
  270   1H4     C  25          1H4         C  25   4.349  23.198  49.613
  271   2H4     C  25          2H4         C  25   3.117  23.265  50.827
  272    H5     C  25           H5         C  25   3.582  23.672  53.171
  273    H6     C  25           H6         C  25   5.370  24.097  54.798
  274   1H5*    A  26          1H5*        A  26  10.588  28.291  54.589
  275   2H5*    A  26          2H5*        A  26  10.267  30.014  54.391
  276    H4*    A  26           H4*        A  26  11.547  29.032  52.605
  277    H3*    A  26           H3*        A  26   8.889  30.346  51.858
  278    H2*    A  26           H2*        A  26   9.440  29.782  49.510
  279   2HO*    A  26          2HO*        A  26  11.359  29.185  48.855
  280    H1*    A  26           H1*        A  26  10.302  27.228  49.961
  281    H8     A  26           H8         A  26   7.319  27.798  52.262
  282   1H6     A  26          1H6         A  26   3.843  26.004  47.491
  283   2H6     A  26          2H6         A  26   3.857  26.401  49.175
  284    H2     A  26           H2         A  26   8.064  26.490  46.049
  285   1H5*    A  27          1H5*        A  27  11.953  32.308  49.156
  286   2H5*    A  27          2H5*        A  27  11.038  33.717  48.617
  287    H4*    A  27           H4*        A  27  11.849  31.868  47.009
  288    H3*    A  27           H3*        A  27   9.215  33.400  46.755
  289    H2*    A  27           H2*        A  27   8.761  32.003  44.765
  290   2HO*    A  27          2HO*        A  27  10.213  30.956  43.715
  291    H1*    A  27           H1*        A  27   9.563  29.611  45.830
  292    H8     A  27           H8         A  27   7.819  31.016  48.793
  293   1H6     A  27          1H6         A  27   2.495  29.451  46.098
  294   2H6     A  27          2H6         A  27   3.250  29.982  47.562
  295    H2     A  27           H2         A  27   5.772  29.078  43.055
  296   1H5*    G  28          1H5*        G  28  10.895  34.041  42.701
  297   2H5*    G  28          2H5*        G  28   9.949  35.432  42.171
  298    H4*    G  28           H4*        G  28   9.756  33.102  41.051
  299    H3*    G  28           H3*        G  28   7.529  35.127  41.408
  300    H2*    G  28           H2*        G  28   5.964  33.439  40.531
  301   2HO*    G  28          2HO*        G  28   7.146  32.628  38.920
  302    H1*    G  28           H1*        G  28   6.801  31.305  41.974
  303    H8     G  28           H8         G  28   7.320  33.451  44.821
  304    H1     G  28           H1         G  28   1.131  33.276  43.156
  305   1H2     G  28          1H2         G  28   0.897  32.433  41.076
  306   2H2     G  28          2H2         G  28   2.287  31.950  40.196
  307   1H5*    A  29          1H5*        A  29   7.042  38.635  38.893
  308   2H5*    A  29          2H5*        A  29   6.463  37.396  40.008
  309    H4*    A  29           H4*        A  29   5.747  37.529  37.113
  310    H3*    A  29           H3*        A  29   4.379  39.042  39.331
  311    H2*    A  29           H2*        A  29   2.227  38.241  38.502
  312   2HO*    A  29          2HO*        A  29   1.965  37.255  36.588
  313    H1*    A  29           H1*        A  29   2.787  35.624  38.094
  314    H8     A  29           H8         A  29   4.843  35.559  41.013
  315   1H6     A  29          1H6         A  29  -0.171  36.237  44.540
  316   2H6     A  29          2H6         A  29   1.505  35.808  44.512
  317    H2     A  29           H2         A  29  -1.275  37.274  40.316
  318   1H5*    G  30          1H5*        G  30   2.623  40.903  37.051
  319   2H5*    G  30          2H5*        G  30   2.997  42.583  36.666
  320    H4*    G  30           H4*        G  30   1.564  43.421  38.152
  321    H3*    G  30           H3*        G  30   2.533  41.845  40.150
  322    H2*    G  30           H2*        G  30   1.289  39.804  39.618
  323   2HO*    G  30          2HO*        G  30   0.694  40.461  41.667
  324    H1*    G  30           H1*        G  30  -1.166  41.510  39.053
  325    H8     G  30           H8         G  30   0.562  39.214  36.476
  326    H1     G  30           H1         G  30  -4.971  37.090  38.919
  327   1H2     G  30          1H2         G  30  -5.666  38.438  40.591
  328   2H2     G  30          2H2         G  30  -4.725  39.805  41.024
  329   1H5*    G  31          1H5*        G  31  -0.536  45.836  43.084
  330   2H5*    G  31          2H5*        G  31   0.833  44.864  43.623
  331    H4*    G  31           H4*        G  31  -1.033  43.666  41.711
  332    H3*    G  31           H3*        G  31  -2.113  44.608  44.266
  333    H2*    G  31           H2*        G  31  -1.924  42.587  45.393
  334   2HO*    G  31          2HO*        G  31  -3.206  40.933  44.710
  335    H1*    G  31           H1*        G  31  -1.326  40.997  42.874
  336    H8     G  31           H8         G  31  -1.088  38.728  44.067
  337    H1     G  31           H1         G  31   3.140  41.263  48.167
  338   1H2     G  31          1H2         G  31   3.274  43.497  47.881
  339   2H2     G  31          2H2         G  31   2.308  44.259  46.687
  340   1H5*    C  32          1H5*        C  32  -6.667  45.808  41.534
  341   2H5*    C  32          2H5*        C  32  -5.994  44.949  42.919
  342    H4*    C  32           H4*        C  32  -7.126  43.824  40.402
  343    H3*    C  32           H3*        C  32  -8.283  43.895  43.206
  344    H2*    C  32           H2*        C  32  -9.116  41.605  42.826
  345   2HO*    C  32          2HO*        C  32  -9.240  40.686  40.934
  346    H1*    C  32           H1*        C  32  -6.872  40.530  41.753
  347   1H4     C  32          1H4         C  32  -6.018  39.443  47.912
  348   2H4     C  32          2H4         C  32  -5.194  40.955  48.089
  349    H5     C  32           H5         C  32  -5.004  42.580  46.300
  350    H6     C  32           H6         C  32  -5.591  43.041  43.963
  351   1H5*    G  33          1H5*        G  33 -11.976  43.193  41.874
  352   2H5*    G  33          2H5*        G  33 -12.918  44.594  42.385
  353    H4*    G  33           H4*        G  33 -13.868  42.690  43.329
  354    H3*    G  33           H3*        G  33 -12.506  44.473  45.369
  355    H2*    G  33           H2*        G  33 -13.091  42.808  47.089
  356   2HO*    G  33          2HO*        G  33 -14.499  41.262  46.817
  357    H1*    G  33           H1*        G  33 -12.340  40.566  45.764
  358    H8     G  33           H8         G  33  -9.681  42.892  44.533
  359    H1     G  33           H1         G  33  -8.822  40.933  50.577
  360   1H2     G  33          1H2         G  33 -10.689  39.932  51.355
  361   2H2     G  33          2H2         G  33 -12.063  39.795  50.339
  362   1H5*    U  34          1H5*        U  34 -16.036  43.419  47.306
  363   2H5*    U  34          2H5*        U  34 -16.659  44.929  47.971
  364    H4*    U  34           H4*        U  34 -16.457  43.213  49.608
  365    H3*    U  34           H3*        U  34 -14.730  45.693  50.069
  366    H2*    U  34           H2*        U  34 -13.992  44.609  52.167
  367   2HO*    U  34          2HO*        U  34 -14.943  42.902  53.019
  368    H1*    U  34           H1*        U  34 -13.601  42.103  51.143
  369    H3     U  34           H3         U  34  -9.373  43.371  51.736
  370    H5     U  34           H5         U  34 -10.557  45.451  48.293
  371    H6     U  34           H6         U  34 -12.792  44.638  48.652
  372   1H5*    C  35          1H5*        C  35 -16.247  44.934  53.898
  373   2H5*    C  35          2H5*        C  35 -17.001  46.477  54.297
  374    H4*    C  35           H4*        C  35 -15.676  45.879  56.068
  375    H3*    C  35           H3*        C  35 -14.368  48.145  54.481
  376    H2*    C  35           H2*        C  35 -12.563  48.103  56.132
  377   2HO*    C  35          2HO*        C  35 -12.712  47.170  58.046
  378    H1*    C  35           H1*        C  35 -12.427  45.351  56.453
  379   1H4     C  35          1H4         C  35  -7.582  46.501  52.576
  380   2H4     C  35          2H4         C  35  -8.640  46.586  51.209
  381    H5     C  35           H5         C  35 -11.054  46.453  51.387
  382    H6     C  35           H6         C  35 -12.920  46.211  52.961
  383    H3T    C  35           H3T        C  35 -14.975  48.795  56.849
  384   1H5*    G  36          1H5*        G  36   1.990  44.683  58.081
  385   2H5*    G  36          2H5*        G  36   1.223  45.569  56.741
  386    H4*    G  36           H4*        G  36   0.091  45.031  59.446
  387    H3*    G  36           H3*        G  36  -0.487  43.582  56.816
  388    H2*    G  36           H2*        G  36  -2.824  43.408  57.578
  389   2HO*    G  36          2HO*        G  36  -3.448  43.716  59.579
  390    H1*    G  36           H1*        G  36  -3.049  45.950  58.608
  391    H8     G  36           H8         G  36  -1.148  45.975  55.254
  392    H1     G  36           H1         G  36  -7.530  46.450  54.864
  393   1H2     G  36          1H2         G  36  -8.471  46.120  56.889
  394   2H2     G  36          2H2         G  36  -7.473  45.800  58.246
  395    H5T    G  36           H5T        G  36   2.599  46.903  58.019
  396   1H5*    A  37          1H5*        A  37  -2.454  41.363  59.834
  397   2H5*    A  37          2H5*        A  37  -2.208  39.675  59.388
  398    H4*    A  37           H4*        A  37  -4.502  40.286  59.742
  399    H3*    A  37           H3*        A  37  -3.749  39.194  56.994
  400    H2*    A  37           H2*        A  37  -6.010  39.502  56.273
  401   2HO*    A  37          2HO*        A  37  -7.701  39.542  57.576
  402    H1*    A  37           H1*        A  37  -6.653  41.734  57.901
  403    H8     A  37           H8         A  37  -3.618  42.551  55.799
  404   1H6     A  37          1H6         A  37  -7.585  44.225  51.382
  405   2H6     A  37          2H6         A  37  -5.930  44.222  51.885
  406    H2     A  37           H2         A  37  -9.893  42.171  54.637
  407   1H5*    C  38          1H5*        C  38  -7.460  37.191  58.237
  408   2H5*    C  38          2H5*        C  38  -7.085  35.513  57.848
  409    H4*    C  38           H4*        C  38  -9.173  36.088  56.980
  410    H3*    C  38           H3*        C  38  -7.068  35.622  54.808
  411    H2*    C  38           H2*        C  38  -8.854  36.041  53.169
  412   2HO*    C  38          2HO*        C  38 -10.905  35.949  53.600
  413    H1*    C  38           H1*        C  38 -10.047  38.155  54.473
  414   1H4     C  38          1H4         C  38  -6.387  41.531  50.637
  415   2H4     C  38          2H4         C  38  -4.964  40.646  51.075
  416    H5     C  38           H5         C  38  -4.975  38.821  52.671
  417    H6     C  38           H6         C  38  -6.400  37.496  54.167
  418   1H5*    G  39          1H5*        G  39 -10.471  33.360  53.584
  419   2H5*    G  39          2H5*        G  39  -9.785  31.830  53.036
  420    H4*    G  39           H4*        G  39 -11.268  32.870  51.452
  421    H3*    G  39           H3*        G  39  -8.394  32.367  50.542
  422    H2*    G  39           H2*        G  39  -9.083  33.289  48.349
  423   2HO*    G  39          2HO*        G  39 -10.979  32.449  48.010
  424    H1*    G  39           H1*        G  39 -10.487  35.431  49.302
  425    H8     G  39           H8         G  39  -7.566  35.362  51.665
  426    H1     G  39           H1         G  39  -6.183  37.734  45.872
  427   1H2     G  39          1H2         G  39  -7.864  37.314  44.425
  428   2H2     G  39          2H2         G  39  -9.253  36.466  44.963
  429   1H5*    G  40          1H5*        G  40  -7.918  29.432  46.812
  430   2H5*    G  40          2H5*        G  40  -6.928  30.716  47.506
  431    H4*    G  40           H4*        G  40  -8.968  31.023  45.357
  432    H3*    G  40           H3*        G  40  -5.971  30.612  45.027
  433    H2*    G  40           H2*        G  40  -6.052  32.295  43.217
  434   2HO*    G  40          2HO*        G  40  -7.843  32.988  42.321
  435    H1*    G  40           H1*        G  40  -7.579  34.143  44.492
  436    H8     G  40           H8         G  40  -5.694  33.177  47.497
  437    H1     G  40           H1         G  40  -2.068  36.295  43.226
  438   1H2     G  40          1H2         G  40  -3.109  36.387  41.225
  439   2H2     G  40          2H2         G  40  -4.657  35.673  41.041
  440   1H5*    C  41          1H5*        C  41  -6.810  30.550  41.214
  441   2H5*    C  41          2H5*        C  41  -6.237  29.008  40.578
  442    H4*    C  41           H4*        C  41  -5.356  30.745  39.303
  443    H3*    C  41           H3*        C  41  -3.238  29.327  40.983
  444    H2*    C  41           H2*        C  41  -1.590  30.857  39.948
  445   2HO*    C  41          2HO*        C  41  -2.029  32.109  38.264
  446    H1*    C  41           H1*        C  41  -3.042  33.154  40.190
  447   1H4     C  41          1H4         C  41   0.414  33.213  45.475
  448   2H4     C  41          2H4         C  41  -0.769  32.254  46.298
  449    H5     C  41           H5         C  41  -2.718  31.319  45.201
  450    H6     C  41           H6         C  41  -3.897  31.140  43.056
  451   1H5*    U  42          1H5*        U  42  -1.868  27.774  37.371
  452   2H5*    U  42          2H5*        U  42  -1.701  26.024  37.518
  453    H4*    U  42           H4*        U  42   0.365  27.112  37.090
  454    H3*    U  42           H3*        U  42   0.186  25.651  39.772
  455    H2*    U  42           H2*        U  42   2.503  26.316  40.167
  456   2HO*    U  42          2HO*        U  42   3.838  26.974  38.643
  457    H1*    U  42           H1*        U  42   2.350  28.861  39.062
  458    H3     U  42           H3         U  42   3.173  29.896  43.316
  459    H5     U  42           H5         U  42  -0.815  28.603  43.369
  460    H6     U  42           H6         U  42  -0.574  27.980  41.059
  461   1H5*    U  43          1H5*        U  43   3.703  24.356  37.673
  462   2H5*    U  43          2H5*        U  43   3.978  22.666  38.096
  463    H4*    U  43           H4*        U  43   5.861  24.176  38.418
  464    H3*    U  43           H3*        U  43   4.901  22.501  40.792
  465    H2*    U  43           H2*        U  43   6.711  23.506  42.091
  466   2HO*    U  43          2HO*        U  43   8.385  24.524  41.226
  467    H1*    U  43           H1*        U  43   6.539  26.071  41.039
  468    H3     U  43           H3         U  43   5.473  26.580  45.376
  469    H5     U  43           H5         U  43   1.936  25.238  43.567
  470    H6     U  43           H6         U  43   3.193  24.855  41.552
  471   1H5*    G  44          1H5*        G  44   9.218  22.139  40.105
  472   2H5*    G  44          2H5*        G  44   9.616  20.460  40.469
  473    H4*    G  44           H4*        G  44  11.091  22.081  41.494
  474    H3*    G  44           H3*        G  44   9.624  20.125  43.302
  475    H2*    G  44           H2*        G  44  10.737  21.227  45.215
  476   2HO*    G  44          2HO*        G  44  12.368  22.574  45.025
  477    H1*    G  44           H1*        G  44  10.302  23.802  44.473
  478    H8     G  44           H8         G  44   7.172  21.934  43.364
  479    H1     G  44           H1         G  44   7.291  23.627  49.548
  480   1H2     G  44          1H2         G  44   9.342  24.374  50.122
  481   2H2     G  44          2H2         G  44  10.587  24.421  48.944
  482   1H5*    C  45          1H5*        C  45  13.408  20.065  44.916
  483   2H5*    C  45          2H5*        C  45  13.828  18.357  45.042
  484    H4*    C  45           H4*        C  45  14.158  19.395  47.102
  485    H3*    C  45           H3*        C  45  11.811  17.441  47.126
  486    H2*    C  45           H2*        C  45  11.560  17.993  49.527
  487   2HO*    C  45          2HO*        C  45  13.024  18.997  50.669
  488    H1*    C  45           H1*        C  45  11.838  20.700  49.292
  489   1H4     C  45          1H4         C  45   5.573  20.030  48.956
  490   2H4     C  45          2H4         C  45   5.660  19.683  47.262
  491    H5     C  45           H5         C  45   7.753  19.446  46.062
  492    H6     C  45           H6         C  45  10.195  19.504  46.293
  493   1H5*    U  46          1H5*        U  46  13.841  16.322  50.483
  494   2H5*    U  46          2H5*        U  46  13.827  14.559  50.536
  495    H4*    U  46           H4*        U  46  12.907  15.508  52.498
  496    H3*    U  46           H3*        U  46  10.938  13.885  50.813
  497    H2*    U  46           H2*        U  46   9.266  14.356  52.571
  498   2HO*    U  46          2HO*        U  46   9.742  15.079  54.497
  499    H1*    U  46           H1*        U  46   9.866  17.005  52.923
  500    H3     U  46           H3         U  46   5.912  17.268  50.866
  501    H5     U  46           H5         U  46   8.607  16.432  47.766
  502    H6     U  46           H6         U  46  10.320  16.129  49.428
  503   1H5*    G  47          1H5*        G  47  10.574  12.755  54.770
  504   2H5*    G  47          2H5*        G  47  10.504  10.994  54.848
  505    H4*    G  47           H4*        G  47   8.783  12.143  56.091
  506    H3*    G  47           H3*        G  47   7.961  10.145  53.958
  507    H2*    G  47           H2*        G  47   5.691  10.718  54.195
  508   2HO*    G  47          2HO*        G  47   4.784  11.304  56.033
  509    H1*    G  47           H1*        G  47   6.045  13.347  55.329
  510    H8     G  47           H8         G  47   7.332  13.514  51.837
  511    H1     G  47           H1         G  47   0.931  13.606  52.197
  512   1H2     G  47          1H2         G  47   0.249  13.020  54.266
  513   2H2     G  47          2H2         G  47   1.412  12.634  55.465
  514   1H5*    A  48          1H5*        A  48   6.769   8.832  57.652
  515   2H5*    A  48          2H5*        A  48   6.629   7.124  58.074
  516    H4*    A  48           H4*        A  48   4.537   8.338  58.062
  517    H3*    A  48           H3*        A  48   4.877   5.857  56.427
  518    H2*    A  48           H2*        A  48   3.140   6.316  54.978
  519   2HO*    A  48          2HO*        A  48   1.176   7.081  55.732
  520    H1*    A  48           H1*        A  48   2.529   9.032  56.016
  521    H8     A  48           H8         A  48   5.162   8.341  53.285
  522   1H6     A  48          1H6         A  48   0.852  10.372  49.366
  523   2H6     A  48          2H6         A  48   2.495   9.856  49.537
  524    H2     A  48           H2         A  48  -0.979  10.108  53.455
  525   1H5*    A  49          1H5*        A  49   2.790   2.355  58.044
  526   2H5*    A  49          2H5*        A  49   3.228   2.078  56.358
  527    H4*    A  49           H4*        A  49   1.273   3.968  57.549
  528    H3*    A  49           H3*        A  49   0.833   1.570  56.158
  529    H2*    A  49           H2*        A  49   1.171   2.393  53.936
  530   2HO*    A  49          2HO*        A  49  -1.262   3.652  54.513
  531    H1*    A  49           H1*        A  49   0.206   5.157  54.794
  532    H8     A  49           H8         A  49   3.709   4.287  53.441
  533   1H6     A  49          1H6         A  49   1.952   7.454  48.447
  534   2H6     A  49          2H6         A  49   3.261   6.636  49.229
  535    H2     A  49           H2         A  49  -1.574   7.105  51.202
  536   1H5*    G  50          1H5*        G  50  -4.189   1.065  55.182
  537   2H5*    G  50          2H5*        G  50  -2.925   1.792  54.189
  538    H4*    G  50           H4*        G  50  -5.257   3.261  55.316
  539    H3*    G  50           H3*        G  50  -5.191   1.780  52.667
  540    H2*    G  50           H2*        G  50  -6.340   3.721  51.663
  541   2HO*    G  50          2HO*        G  50  -7.770   4.189  53.184
  542    H1*    G  50           H1*        G  50  -4.822   5.686  52.748
  543    H8     G  50           H8         G  50  -1.854   3.738  52.337
  544    H1     G  50           H1         G  50  -4.574   4.914  46.651
  545   1H2     G  50          1H2         G  50  -6.709   5.594  46.922
  546   2H2     G  50          2H2         G  50  -7.362   5.727  48.504
  547   1H5*    C  51          1H5*        C  51  -9.322   1.796  53.001
  548   2H5*    C  51          2H5*        C  51  -9.914   0.167  52.679
  549    H4*    C  51           H4*        C  51 -10.755   1.788  51.146
  550    H3*    C  51           H3*        C  51  -9.051  -0.440  49.929
  551    H2*    C  51           H2*        C  51  -9.510   0.586  47.737
  552   2HO*    C  51          2HO*        C  51 -11.042   2.010  47.388
  553    H1*    C  51           H1*        C  51  -9.195   3.209  48.502
  554   1H4     C  51          1H4         C  51  -3.556   1.717  46.053
  555   2H4     C  51          2H4         C  51  -3.002   1.180  47.603
  556    H5     C  51           H5         C  51  -4.438   1.042  49.552
  557    H6     C  51           H6         C  51  -6.724   1.409  50.367
  558   1H5*    G  52          1H5*        G  52 -12.394  -0.251  47.355
  559   2H5*    G  52          2H5*        G  52 -12.887  -1.939  47.228
  560    H4*    G  52           H4*        G  52 -12.683  -1.033  45.098
  561    H3*    G  52           H3*        G  52 -10.496  -3.080  45.704
  562    H2*    G  52           H2*        G  52  -9.699  -2.702  43.395
  563   2HO*    G  52          2HO*        G  52 -10.828  -1.717  41.897
  564    H1*    G  52           H1*        G  52  -9.921   0.028  43.394
  565    H8     G  52           H8         G  52  -8.589  -1.145  46.805
  566    H1     G  52           H1         G  52  -4.167  -0.195  42.260
  567   1H2     G  52          1H2         G  52  -5.154   0.179  40.264
  568   2H2     G  52          2H2         G  52  -6.865   0.177  40.151
  569   1H5*    C  53          1H5*        C  53 -12.186  -4.031  41.876
  570   2H5*    C  53          2H5*        C  53 -12.163  -5.791  41.780
  571    H4*    C  53           H4*        C  53 -11.113  -4.701  39.920
  572    H3*    C  53           H3*        C  53  -9.356  -6.572  41.583
  573    H2*    C  53           H2*        C  53  -7.545  -6.075  39.992
  574   2HO*    C  53          2HO*        C  53  -7.840  -5.231  38.084
  575    H1*    C  53           H1*        C  53  -8.021  -3.374  39.746
  576   1H4     C  53          1H4         C  53  -3.421  -3.424  44.056
  577   2H4     C  53          2H4         C  53  -4.517  -3.916  45.302
  578    H5     C  53           H5         C  53  -6.848  -4.440  44.888
  579    H6     C  53           H6         C  53  -8.575  -4.582  43.151
  580   1H5*    G  54          1H5*        G  54  -8.669  -7.814  37.593
  581   2H5*    G  54          2H5*        G  54  -8.434  -9.559  37.694
  582    H4*    G  54           H4*        G  54  -6.606  -8.358  36.687
  583    H3*    G  54           H3*        G  54  -5.984 -10.009  39.185
  584    H2*    G  54           H2*        G  54  -3.643  -9.324  38.904
  585   2HO*    G  54          2HO*        G  54  -2.837  -8.546  37.118
  586    H1*    G  54           H1*        G  54  -4.120  -6.698  38.195
  587    H8     G  54           H8         G  54  -6.435  -7.514  41.113
  588    H1     G  54           H1         G  54  -0.441  -5.943  42.760
  589   1H2     G  54          1H2         G  54   0.883  -5.860  40.935
  590   2H2     G  54          2H2         G  54   0.219  -6.196  39.389
  591   1H5*    C  55          1H5*        C  55  -2.972 -11.172  36.515
  592   2H5*    C  55          2H5*        C  55  -2.880 -12.925  36.679
  593    H4*    C  55           H4*        C  55  -0.773 -11.907  36.972
  594    H3*    C  55           H3*        C  55  -1.866 -13.293  39.471
  595    H2*    C  55           H2*        C  55   0.226 -12.668  40.586
  596   2HO*    C  55          2HO*        C  55   1.992 -12.101  39.577
  597    H1*    C  55           H1*        C  55   0.471 -10.134  39.500
  598   1H4     C  55          1H4         C  55  -1.982  -8.745  45.131
  599   2H4     C  55          2H4         C  55  -3.516  -9.422  44.704
  600    H5     C  55           H5         C  55  -3.939 -10.525  42.586
  601    H6     C  55           H6         C  55  -2.924 -11.184  40.452
  602   1H5*    A  56          1H5*        A  56   0.292 -17.336  40.761
  603   2H5*    A  56          2H5*        A  56  -0.365 -16.058  41.781
  604    H4*    A  56           H4*        A  56   2.478 -16.766  41.232
  605    H3*    A  56           H3*        A  56   0.814 -17.021  43.733
  606    H2*    A  56           H2*        A  56   2.706 -16.186  45.032
  607   2HO*    A  56          2HO*        A  56   4.700 -16.079  44.317
  608    H1*    A  56           H1*        A  56   3.476 -14.087  43.506
  609    H8     A  56           H8         A  56  -0.124 -13.699  42.857
  610   1H6     A  56          1H6         A  56  -0.648 -11.248  48.495
  611   2H6     A  56          2H6         A  56  -1.428 -11.500  46.971
  612    H2     A  56           H2         A  56   3.391 -13.178  48.173
  613   1H5*    C  57          1H5*        C  57   4.393 -18.559  44.875
  614   2H5*    C  57          2H5*        C  57   4.074 -20.207  45.414
  615    H4*    C  57           H4*        C  57   5.434 -18.898  46.934
  616    H3*    C  57           H3*        C  57   2.855 -20.121  47.978
  617    H2*    C  57           H2*        C  57   3.361 -19.071  50.158
  618   2HO*    C  57          2HO*        C  57   5.241 -18.272  50.681
  619    H1*    C  57           H1*        C  57   4.033 -16.606  49.252
  620   1H4     C  57          1H4         C  57  -2.241 -16.340  50.236
  621   2H4     C  57          2H4         C  57  -2.467 -16.315  48.521
  622    H5     C  57           H5         C  57  -0.662 -16.657  46.940
  623    H6     C  57           H6         C  57   1.744 -17.096  46.733
  624   1H5*    G  58          1H5*        G  58   5.617 -20.945  50.858
  625   2H5*    G  58          2H5*        G  58   5.538 -22.668  51.230
  626    H4*    G  58           H4*        G  58   5.470 -21.161  53.140
  627    H3*    G  58           H3*        G  58   3.205 -23.186  52.796
  628    H2*    G  58           H2*        G  58   2.279 -22.313  54.902
  629   2HO*    G  58          2HO*        G  58   3.369 -21.191  56.302
  630    H1*    G  58           H1*        G  58   2.741 -19.643  54.414
  631    H8     G  58           H8         G  58   1.452 -20.491  51.072
  632    H1     G  58           H1         G  58  -3.100 -20.717  55.580
  633   1H2     G  58          1H2         G  58  -2.173 -20.713  57.638
  634   2H2     G  58          2H2         G  58  -0.468 -20.652  57.800
  635   1H5*    G  59          1H5*        G  59   4.375 -24.474  56.595
  636   2H5*    G  59          2H5*        G  59   4.124 -26.220  56.572
  637    H4*    G  59           H4*        G  59   2.797 -24.941  58.182
  638    H3*    G  59           H3*        G  59   1.369 -26.806  56.223
  639    H2*    G  59           H2*        G  59  -0.727 -26.154  57.328
  640   2HO*    G  59          2HO*        G  59  -0.843 -25.283  59.231
  641    H1*    G  59           H1*        G  59  -0.165 -23.468  57.607
  642    H8     G  59           H8         G  59   0.996 -24.019  54.110
  643    H1     G  59           H1         G  59  -5.389 -24.020  54.692
  644   1H2     G  59          1H2         G  59  -5.984 -24.170  56.865
  645   2H2     G  59          2H2         G  59  -4.769 -24.261  58.072
  646   1H5*    C  60          1H5*        C  60  -0.316 -28.093  59.998
  647   2H5*    C  60          2H5*        C  60  -0.250 -29.847  59.822
  648    H4*    C  60           H4*        C  60  -2.418 -29.050  60.410
  649    H3*    C  60           H3*        C  60  -2.213 -30.484  57.718
  650    H2*    C  60           H2*        C  60  -4.651 -30.155  57.514
  651   2HO*    C  60          2HO*        C  60  -5.917 -29.639  59.120
  652    H1*    C  60           H1*        C  60  -4.731 -27.563  58.407
  653   1H4     C  60          1H4         C  60  -4.507 -26.841  52.134
  654   2H4     C  60          2H4         C  60  -2.778 -26.924  52.155
  655    H5     C  60           H5         C  60  -1.496 -27.412  54.153
  656    H6     C  60           H6         C  60  -1.663 -27.919  56.548
  657   1H5*    A  61          1H5*        A  61  -5.585 -32.193  59.890
  658   2H5*    A  61          2H5*        A  61  -5.508 -33.905  59.472
  659    H4*    A  61           H4*        A  61  -7.663 -32.886  59.113
  660    H3*    A  61           H3*        A  61  -6.291 -34.151  56.691
  661    H2*    A  61           H2*        A  61  -8.317 -33.531  55.407
  662   2HO*    A  61          2HO*        A  61 -10.143 -32.946  56.289
  663    H1*    A  61           H1*        A  61  -8.593 -31.000  56.400
  664    H8     A  61           H8         A  61  -4.855 -31.605  55.951
  665   1H6     A  61          1H6         A  61  -5.668 -29.635  50.162
  666   2H6     A  61          2H6         A  61  -4.509 -30.083  51.367
  667    H2     A  61           H2         A  61  -9.705 -30.121  52.061
  668   1H5*    A  62          1H5*        A  62 -10.397 -36.113  56.822
  669   2H5*    A  62          2H5*        A  62 -10.107 -37.474  55.739
  670    H4*    A  62           H4*        A  62 -11.804 -35.590  55.227
  671    H3*    A  62           H3*        A  62 -10.111 -37.070  53.157
  672    H2*    A  62           H2*        A  62 -11.160 -35.604  51.463
  673   2HO*    A  62          2HO*        A  62 -12.924 -34.554  51.758
  674    H1*    A  62           H1*        A  62 -10.971 -33.262  52.866
  675    H8     A  62           H8         A  62  -7.664 -34.712  53.723
  676   1H6     A  62          1H6         A  62  -5.726 -32.993  48.124
  677   2H6     A  62          2H6         A  62  -5.248 -33.572  49.682
  678    H2     A  62           H2         A  62 -10.194 -32.599  48.246
  679   1H5*    G  63          1H5*        G  63 -14.157 -37.616  51.416
  680   2H5*    G  63          2H5*        G  63 -13.869 -38.982  50.337
  681    H4*    G  63           H4*        G  63 -14.498 -36.626  49.464
  682    H3*    G  63           H3*        G  63 -12.671 -38.627  48.106
  683    H2*    G  63           H2*        G  63 -12.155 -36.897  46.430
  684   2HO*    G  63          2HO*        G  63 -14.123 -36.066  46.130
  685    H1*    G  63           H1*        G  63 -11.729 -34.809  48.102
  686    H8     G  63           H8         G  63 -10.127 -37.042  50.440
  687    H1     G  63           H1         G  63  -6.855 -36.707  44.935
  688   1H2     G  63          1H2         G  63  -8.133 -35.802  43.311
  689   2H2     G  63          2H2         G  63  -9.741 -35.320  43.666
  690   1H5*    A  64          1H5*        A  64 -14.039 -42.044  45.878
  691   2H5*    A  64          2H5*        A  64 -12.869 -40.789  46.289
  692    H4*    A  64           H4*        A  64 -14.398 -40.869  43.726
  693    H3*    A  64           H3*        A  64 -11.881 -42.424  44.292
  694    H2*    A  64           H2*        A  64 -10.925 -41.567  42.218
  695   2HO*    A  64          2HO*        A  64 -12.071 -40.524  40.702
  696    H1*    A  64           H1*        A  64 -11.581 -38.948  42.395
  697    H8     A  64           H8         A  64 -11.003 -38.984  45.917
  698   1H6     A  64          1H6         A  64  -4.960 -39.706  44.903
  699   2H6     A  64          2H6         A  64  -6.171 -39.293  46.067
  700    H2     A  64           H2         A  64  -7.144 -40.619  41.089
  701   1H5*    G  65          1H5*        G  65 -12.260 -44.185  41.386
  702   2H5*    G  65          2H5*        G  65 -12.814 -45.857  41.310
  703    H4*    G  65           H4*        G  65 -10.760 -46.719  41.339
  704    H3*    G  65           H3*        G  65 -10.033 -45.213  43.490
  705    H2*    G  65           H2*        G  65  -9.487 -43.146  42.301
  706   2HO*    G  65          2HO*        G  65  -7.636 -43.854  43.319
  707    H1*    G  65           H1*        G  65  -8.163 -44.810  40.122
  708    H8     G  65           H8         G  65 -11.164 -42.451  39.561
  709    H1     G  65           H1         G  65  -5.467 -40.342  37.509
  710   1H2     G  65          1H2         G  65  -3.822 -41.735  38.180
  711   2H2     G  65          2H2         G  65  -4.212 -43.125  39.105
  712   1H5*    G  66          1H5*        G  66  -5.846 -49.262  43.319
  713   2H5*    G  66          2H5*        G  66  -6.435 -48.323  44.690
  714    H4*    G  66           H4*        G  66  -6.419 -47.049  42.053
  715    H3*    G  66           H3*        G  66  -3.877 -48.050  43.104
  716    H2*    G  66           H2*        G  66  -3.205 -46.066  44.108
  717   2HO*    G  66          2HO*        G  66  -2.741 -44.375  42.774
  718    H1*    G  66           H1*        G  66  -5.368 -44.411  42.760
  719    H8     G  66           H8         G  66  -4.685 -42.179  43.846
  720    H1     G  66           H1         G  66  -4.893 -44.876  49.659
  721   1H2     G  66          1H2         G  66  -5.214 -47.103  49.485
  722   2H2     G  66          2H2         G  66  -5.360 -47.820  47.934
  723   1H5*    C  67          1H5*        C  67  -2.506 -49.116  37.954
  724   2H5*    C  67          2H5*        C  67  -2.027 -48.312  39.449
  725    H4*    C  67           H4*        C  67  -2.924 -47.088  36.885
  726    H3*    C  67           H3*        C  67  -0.154 -47.240  38.114
  727    H2*    C  67           H2*        C  67   0.221 -44.931  37.328
  728   2HO*    C  67          2HO*        C  67  -0.985 -43.951  35.906
  729    H1*    C  67           H1*        C  67  -2.127 -43.846  38.135
  730   1H4     C  67          1H4         C  67   1.530 -42.955  43.204
  731   2H4     C  67          2H4         C  67   1.039 -44.480  43.857
  732    H5     C  67           H5         C  67  -0.357 -46.053  42.650
  733    H6     C  67           H6         C  67  -1.554 -46.438  40.543
  734   1H5*    G  68          1H5*        G  68   1.594 -46.438  34.621
  735   2H5*    G  68          2H5*        G  68   2.615 -47.836  34.288
  736    H4*    G  68           H4*        G  68   3.968 -45.945  34.369
  737    H3*    G  68           H3*        G  68   4.393 -47.809  36.724
  738    H2*    G  68           H2*        G  68   6.024 -46.184  37.607
  739   2HO*    G  68          2HO*        G  68   6.860 -44.610  36.480
  740    H1*    G  68           H1*        G  68   4.580 -43.918  37.248
  741    H8     G  68           H8         G  68   1.794 -46.253  38.138
  742    H1     G  68           H1         G  68   5.399 -44.484  43.138
  743   1H2     G  68          1H2         G  68   7.290 -43.476  42.431
  744   2H2     G  68          2H2         G  68   7.572 -43.286  40.749
  745   1H5*    U  69          1H5*        U  69   8.314 -46.800  35.688
  746   2H5*    U  69          2H5*        U  69   9.188 -48.332  35.718
  747    H4*    U  69           H4*        U  69  10.187 -46.641  37.082
  748    H3*    U  69           H3*        U  69   9.244 -49.161  38.532
  749    H2*    U  69           H2*        U  69  10.159 -48.146  40.592
  750   2HO*    U  69          2HO*        U  69  11.456 -46.457  40.608
  751    H1*    U  69           H1*        U  69   9.201 -45.613  40.186
  752    H3     U  69           H3         U  69   6.565 -46.944  43.523
  753    H5     U  69           H5         U  69   4.984 -48.900  40.168
  754    H6     U  69           H6         U  69   6.852 -48.078  38.893
  755   1H5*    C  70          1H5*        C  70  13.012 -48.531  40.285
  756   2H5*    C  70          2H5*        C  70  13.786 -50.092  40.013
  757    H4*    C  70           H4*        C  70  14.033 -49.543  42.234
  758    H3*    C  70           H3*        C  70  11.994 -51.795  41.877
  759    H2*    C  70           H2*        C  70  11.755 -51.834  44.300
  760   2HO*    C  70          2HO*        C  70  13.168 -50.989  45.662
  761    H1*    C  70           H1*        C  70  11.961 -49.090  44.741
  762   1H4     C  70          1H4         C  70   5.757 -50.113  45.299
  763   2H4     C  70          2H4         C  70   5.563 -50.142  43.579
  764    H5     C  70           H5         C  70   7.423 -50.007  42.030
  765    H6     C  70           H6         C  70   9.864 -49.817  41.868
  766    H3T    C  70           H3T        C  70  14.042 -52.489  43.193
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   4.128 -49.261  57.687
    2   2H5*    G   1          2H5*        G   1   4.116 -50.087  56.110
    3    H4*    G   1           H4*        G   1   6.485 -49.495  57.834
    4    H3*    G   1           H3*        G   1   5.476 -47.977  55.403
    5    H2*    G   1           H2*        G   1   7.836 -47.718  54.714
    6   2HO*    G   1          2HO*        G   1   9.492 -48.124  55.978
    7    H1*    G   1           H1*        G   1   8.638 -50.275  55.131
    8    H8     G   1           H8         G   1   5.090 -50.736  53.901
    9    H1     G   1           H1         G   1   9.391 -49.578  49.289
   10   1H2     G   1          1H2         G   1  11.354 -48.920  50.187
   11   2H2     G   1          2H2         G   1  11.509 -48.800  51.891
   12    H5T    G   1           H5T        G   1   3.678 -51.512  57.865
   13   1H5*    A   2          1H5*        A   2   8.816 -45.799  56.721
   14   2H5*    A   2          2H5*        A   2   8.240 -44.133  56.774
   15    H4*    A   2           H4*        A   2  10.274 -44.338  55.580
   16    H3*    A   2           H3*        A   2   7.886 -43.407  53.912
   17    H2*    A   2           H2*        A   2   9.450 -43.230  52.016
   18   2HO*    A   2          2HO*        A   2  11.546 -43.184  52.206
   19    H1*    A   2           H1*        A   2  10.828 -45.564  52.475
   20    H8     A   2           H8         A   2   7.256 -46.553  53.107
   21   1H6     A   2          1H6         A   2   6.680 -47.153  46.994
   22   2H6     A   2          2H6         A   2   5.944 -47.449  48.532
   23    H2     A   2           H2         A   2  10.591 -45.123  47.843
   24   1H5*    C   3          1H5*        C   3  10.822 -40.684  52.853
   25   2H5*    C   3          2H5*        C   3  10.022 -39.112  52.852
   26    H4*    C   3           H4*        C   3  11.147 -39.646  50.803
   27    H3*    C   3           H3*        C   3   8.136 -39.142  50.634
   28    H2*    C   3           H2*        C   3   8.281 -39.524  48.247
   29   2HO*    C   3          2HO*        C   3  10.038 -39.314  47.104
   30    H1*    C   3           H1*        C   3  10.258 -41.509  48.293
   31   1H4     C   3          1H4         C   3   4.867 -44.587  47.011
   32   2H4     C   3          2H4         C   3   4.628 -44.874  48.702
   33    H5     C   3           H5         C   3   6.039 -43.917  50.425
   34    H6     C   3           H6         C   3   7.980 -42.473  50.828
   35   1H5*    G   4          1H5*        G   4   9.993 -36.675  47.571
   36   2H5*    G   4          2H5*        G   4   9.067 -35.175  47.630
   37    H4*    G   4           H4*        G   4   9.287 -36.186  45.431
   38    H3*    G   4           H3*        G   4   6.480 -35.628  46.500
   39    H2*    G   4           H2*        G   4   5.643 -36.498  44.339
   40   2HO*    G   4          2HO*        G   4   6.800 -36.683  42.623
   41    H1*    G   4           H1*        G   4   7.279 -38.681  44.187
   42    H8     G   4           H8         G   4   6.450 -38.638  47.853
   43    H1     G   4           H1         G   4   1.721 -40.848  44.131
   44   1H2     G   4          1H2         G   4   2.156 -40.412  41.960
   45   2H2     G   4          2H2         G   4   3.601 -39.593  41.532
   46   1H5*    G   5          1H5*        G   5   4.188 -32.543  43.287
   47   2H5*    G   5          2H5*        G   5   3.568 -33.830  44.320
   48    H4*    G   5           H4*        G   5   4.347 -34.012  41.452
   49    H3*    G   5           H3*        G   5   1.568 -33.803  42.672
   50    H2*    G   5           H2*        G   5   0.816 -35.421  40.959
   51   2HO*    G   5          2HO*        G   5   1.955 -35.959  39.255
   52    H1*    G   5           H1*        G   5   2.859 -37.195  41.197
   53    H8     G   5           H8         G   5   2.624 -36.385  44.796
   54    H1     G   5           H1         G   5  -2.360 -39.819  42.682
   55   1H2     G   5          1H2         G   5  -2.409 -39.834  40.426
   56   2H2     G   5          2H2         G   5  -1.202 -38.991  39.547
   57   1H5*    C   6          1H5*        C   6   0.474 -33.560  38.952
   58   2H5*    C   6          2H5*        C   6  -0.415 -32.054  38.729
   59    H4*    C   6           H4*        C   6  -1.694 -33.824  37.924
   60    H3*    C   6           H3*        C   6  -2.851 -32.591  40.460
   61    H2*    C   6           H2*        C   6  -4.699 -34.226  40.261
   62   2HO*    C   6          2HO*        C   6  -4.997 -35.466  38.515
   63    H1*    C   6           H1*        C   6  -3.178 -36.418  39.707
   64   1H4     C   6          1H4         C   6  -3.663 -36.702  45.997
   65   2H4     C   6          2H4         C   6  -2.270 -35.689  46.181
   66    H5     C   6           H5         C   6  -1.134 -34.642  44.313
   67    H6     C   6           H6         C   6  -1.146 -34.382  41.873
   68   1H5*    U   7          1H5*        U   7  -5.866 -31.177  38.017
   69   2H5*    U   7          2H5*        U   7  -6.025 -29.431  38.207
   70    H4*    U   7           H4*        U   7  -7.997 -30.591  38.816
   71    H3*    U   7           H3*        U   7  -6.628 -29.075  41.091
   72    H2*    U   7           H2*        U   7  -8.415 -29.822  42.554
   73   2HO*    U   7          2HO*        U   7 -10.315 -30.520  41.876
   74    H1*    U   7           H1*        U   7  -8.783 -32.361  41.441
   75    H3     U   7           H3         U   7  -7.578 -33.429  45.602
   76    H5     U   7           H5         U   7  -4.005 -32.137  43.830
   77    H6     U   7           H6         U   7  -5.278 -31.485  41.895
   78   1H5*    U   8          1H5*        U   8 -10.776 -27.915  40.976
   79   2H5*    U   8          2H5*        U   8 -10.840 -26.223  41.468
   80    H4*    U   8           H4*        U   8 -12.288 -27.731  42.698
   81    H3*    U   8           H3*        U   8 -10.267 -26.061  44.276
   82    H2*    U   8           H2*        U   8 -11.174 -27.075  46.304
   83   2HO*    U   8          2HO*        U   8 -13.056 -28.092  46.400
   84    H1*    U   8           H1*        U   8 -11.566 -29.635  45.293
   85    H3     U   8           H3         U   8  -8.474 -30.256  48.480
   86    H5     U   8           H5         U   8  -6.314 -28.741  45.222
   87    H6     U   8           H6         U   8  -8.408 -28.344  44.106
   88   1H5*    G   9          1H5*        G   9 -14.335 -25.644  45.869
   89   2H5*    G   9          2H5*        G   9 -14.464 -23.972  46.412
   90    H4*    G   9           H4*        G   9 -15.216 -25.608  48.026
   91    H3*    G   9           H3*        G   9 -12.986 -23.705  48.850
   92    H2*    G   9           H2*        G   9 -12.989 -24.840  51.047
   93   2HO*    G   9          2HO*        G   9 -14.517 -26.163  51.699
   94    H1*    G   9           H1*        G   9 -13.067 -27.402  50.140
   95    H8     G   9           H8         G   9 -10.872 -25.495  47.663
   96    H1     G   9           H1         G   9  -7.898 -27.518  52.971
   97   1H2     G   9          1H2         G   9  -9.397 -28.294  54.469
   98   2H2     G   9          2H2         G   9 -11.067 -28.275  54.084
   99   1H5*    C  10          1H5*        C  10 -15.438 -23.728  52.182
  100   2H5*    C  10          2H5*        C  10 -15.670 -22.026  52.584
  101    H4*    C  10           H4*        C  10 -14.941 -23.222  54.462
  102    H3*    C  10           H3*        C  10 -12.885 -21.211  53.425
  103    H2*    C  10           H2*        C  10 -11.466 -21.896  55.331
  104   2HO*    C  10          2HO*        C  10 -12.168 -23.006  56.993
  105    H1*    C  10           H1*        C  10 -11.880 -24.595  55.120
  106   1H4     C  10          1H4         C  10  -6.556 -23.829  51.817
  107   2H4     C  10          2H4         C  10  -7.451 -23.389  50.402
  108    H5     C  10           H5         C  10  -9.859 -23.109  50.387
  109    H6     C  10           H6         C  10 -11.879 -23.210  51.775
  110   1H5*    U  11          1H5*        U  11 -12.896 -20.457  57.401
  111   2H5*    U  11          2H5*        U  11 -12.909 -18.706  57.612
  112    H4*    U  11           H4*        U  11 -11.103 -19.659  58.765
  113    H3*    U  11           H3*        U  11 -10.265 -17.914  56.401
  114    H2*    U  11           H2*        U  11  -7.928 -18.396  57.057
  115   2HO*    U  11          2HO*        U  11  -7.366 -19.223  58.916
  116    H1*    U  11           H1*        U  11  -8.232 -21.075  57.490
  117    H3     U  11           H3         U  11  -5.946 -21.139  53.667
  118    H5     U  11           H5         U  11  -9.842 -20.149  52.478
  119    H6     U  11           H6         U  11 -10.441 -19.997  54.803
  120   1H5*    G  12          1H5*        G  12  -7.985 -16.892  59.664
  121   2H5*    G  12          2H5*        G  12  -7.806 -15.139  59.737
  122    H4*    G  12           H4*        G  12  -5.747 -16.471  59.840
  123    H3*    G  12           H3*        G  12  -6.069 -14.188  57.902
  124    H2*    G  12           H2*        G  12  -4.248 -14.811  56.608
  125   2HO*    G  12          2HO*        G  12  -2.383 -15.543  57.456
  126    H1*    G  12           H1*        G  12  -3.863 -17.490  57.750
  127    H8     G  12           H8         G  12  -6.712 -17.574  55.343
  128    H1     G  12           H1         G  12  -0.962 -17.809  52.515
  129   1H2     G  12          1H2         G  12   0.664 -17.276  53.987
  130   2H2     G  12          2H2         G  12   0.249 -16.888  55.605
  131   1H5*    A  13          1H5*        A  13  -2.621 -13.745  59.955
  132   2H5*    A  13          2H5*        A  13  -2.184 -12.185  60.650
  133    H4*    A  13           H4*        A  13  -0.439 -13.032  59.323
  134    H3*    A  13           H3*        A  13  -1.720 -10.479  58.397
  135    H2*    A  13           H2*        A  13  -0.870 -10.609  56.250
  136   2HO*    A  13          2HO*        A  13   1.216 -11.340  55.854
  137    H1*    A  13           H1*        A  13   0.190 -13.358  56.435
  138    H8     A  13           H8         A  13  -3.500 -12.510  55.646
  139   1H6     A  13          1H6         A  13  -1.987 -13.830  49.812
  140   2H6     A  13          2H6         A  13  -3.275 -13.422  50.894
  141    H2     A  13           H2         A  13   1.746 -13.973  52.299
  142   1H5*    A  14          1H5*        A  14   3.819  -8.115  58.714
  143   2H5*    A  14          2H5*        A  14   2.310  -7.284  58.336
  144    H4*    A  14           H4*        A  14   4.207  -8.704  56.666
  145    H3*    A  14           H3*        A  14   2.522  -6.241  56.327
  146    H2*    A  14           H2*        A  14   1.867  -6.757  54.169
  147   2HO*    A  14          2HO*        A  14   4.374  -7.970  53.816
  148    H1*    A  14           H1*        A  14   2.915  -9.516  54.112
  149    H8     A  14           H8         A  14  -0.494  -8.430  55.605
  150   1H6     A  14          1H6         A  14  -2.891 -10.927  50.499
  151   2H6     A  14          2H6         A  14  -3.240 -10.186  52.022
  152    H2     A  14           H2         A  14   1.583 -11.069  50.166
  153   1H5*    G  15          1H5*        G  15   5.607  -4.515  52.067
  154   2H5*    G  15          2H5*        G  15   4.138  -5.484  52.190
  155    H4*    G  15           H4*        G  15   6.837  -6.653  51.667
  156    H3*    G  15           H3*        G  15   5.147  -5.311  49.586
  157    H2*    G  15           H2*        G  15   5.282  -7.291  48.200
  158   2HO*    G  15          2HO*        G  15   6.725  -8.814  48.412
  159    H1*    G  15           H1*        G  15   4.817  -9.281  49.973
  160    H8     G  15           H8         G  15   2.402  -7.440  51.757
  161    H1     G  15           H1         G  15   0.578  -8.124  45.649
  162   1H2     G  15          1H2         G  15   2.335  -8.717  44.363
  163   2H2     G  15          2H2         G  15   3.881  -8.918  45.078
  164   1H5*    C  16          1H5*        C  16   8.476  -5.182  47.215
  165   2H5*    C  16          2H5*        C  16   8.738  -3.515  46.706
  166    H4*    C  16           H4*        C  16   8.264  -4.934  44.874
  167    H3*    C  16           H3*        C  16   6.170  -2.767  45.394
  168    H2*    C  16           H2*        C  16   4.995  -3.617  43.397
  169   2HO*    C  16          2HO*        C  16   5.871  -4.872  41.950
  170    H1*    C  16           H1*        C  16   5.300  -6.294  43.924
  171   1H4     C  16          1H4         C  16  -0.442  -4.945  46.227
  172   2H4     C  16          2H4         C  16   0.243  -4.666  47.791
  173    H5     C  16           H5         C  16   2.629  -4.660  48.216
  174    H6     C  16           H6         C  16   4.833  -4.930  47.171
  175   1H5*    G  17          1H5*        G  17   6.904  -2.466  41.199
  176   2H5*    G  17          2H5*        G  17   7.061  -0.726  40.958
  177    H4*    G  17           H4*        G  17   5.504  -1.618  39.454
  178    H3*    G  17           H3*        G  17   4.252   0.223  41.547
  179    H2*    G  17           H2*        G  17   2.099  -0.166  40.390
  180   2HO*    G  17          2HO*        G  17   1.925  -1.000  38.463
  181    H1*    G  17           H1*        G  17   2.359  -2.867  40.070
  182    H8     G  17           H8         G  17   3.766  -1.853  43.505
  183    H1     G  17           H1         G  17  -2.528  -3.058  43.307
  184   1H2     G  17          1H2         G  17  -3.214  -3.326  41.174
  185   2H2     G  17          2H2         G  17  -2.078  -3.197  39.895
  186   1H5*    C  18          1H5*        C  18   2.784   1.419  37.695
  187   2H5*    C  18          2H5*        C  18   2.722   3.180  37.758
  188    H4*    C  18           H4*        C  18   0.669   2.235  37.041
  189    H3*    C  18           H3*        C  18   0.540   3.759  39.687
  190    H2*    C  18           H2*        C  18  -1.883   3.272  39.686
  191   2HO*    C  18          2HO*        C  18  -2.963   2.673  38.002
  192    H1*    C  18           H1*        C  18  -1.709   0.650  38.918
  193   1H4     C  18          1H4         C  18  -1.871  -0.005  45.180
  194   2H4     C  18          2H4         C  18  -0.231   0.527  45.340
  195    H5     C  18           H5         C  18   1.102   1.295  43.467
  196    H6     C  18           H6         C  18   1.085   1.696  41.046
  197   1H5*    G  19          1H5*        G  19  -2.582   5.697  37.371
  198   2H5*    G  19          2H5*        G  19  -2.617   7.329  38.039
  199    H4*    G  19           H4*        G  19  -4.699   6.079  38.191
  200    H3*    G  19           H3*        G  19  -3.490   7.220  40.754
  201    H2*    G  19           H2*        G  19  -5.466   6.296  41.925
  202   2HO*    G  19          2HO*        G  19  -7.225   5.680  40.966
  203    H1*    G  19           H1*        G  19  -5.491   3.858  40.692
  204    H8     G  19           H8         G  19  -1.811   4.670  41.244
  205    H1     G  19           H1         G  19  -4.850   2.246  46.343
  206   1H2     G  19          1H2         G  19  -7.076   2.179  45.977
  207   2H2     G  19          2H2         G  19  -7.707   2.737  44.483
  208   1H5*    C  20          1H5*        C  20  -7.310   9.313  40.947
  209   2H5*    C  20          2H5*        C  20  -6.843  10.832  41.713
  210    H4*    C  20           H4*        C  20  -8.501   9.513  42.909
  211    H3*    C  20           H3*        C  20  -5.936  10.303  44.370
  212    H2*    C  20           H2*        C  20  -6.883   9.158  46.351
  213   2HO*    C  20          2HO*        C  20  -8.918   8.532  46.498
  214    H1*    C  20           H1*        C  20  -7.788   6.926  45.062
  215   1H4     C  20          1H4         C  20  -2.102   4.830  46.744
  216   2H4     C  20          2H4         C  20  -1.296   5.956  45.705
  217    H5     C  20           H5         C  20  -2.468   7.611  44.376
  218    H6     C  20           H6         C  20  -4.685   8.493  43.804
  219   1H5*    A  21          1H5*        A  21  -9.228  12.161  46.804
  220   2H5*    A  21          2H5*        A  21  -8.680  13.838  46.794
  221    H4*    A  21           H4*        A  21  -9.394  13.276  48.961
  222    H3*    A  21           H3*        A  21  -6.434  13.804  48.710
  223    H2*    A  21           H2*        A  21  -6.165  13.139  51.049
  224   2HO*    A  21          2HO*        A  21  -7.711  13.068  52.444
  225    H1*    A  21           H1*        A  21  -7.665  10.886  51.083
  226    H8     A  21           H8         A  21  -6.241  10.716  47.618
  227   1H6     A  21          1H6         A  21  -1.175   8.321  50.200
  228   2H6     A  21          2H6         A  21  -2.005   8.639  48.715
  229    H2     A  21           H2         A  21  -3.810   9.896  53.474
  230   1H5*    C  22          1H5*        C  22  -5.232  17.563  51.773
  231   2H5*    C  22          2H5*        C  22  -4.121  16.572  50.828
  232    H4*    C  22           H4*        C  22  -5.122  16.147  53.602
  233    H3*    C  22           H3*        C  22  -2.381  16.944  52.595
  234    H2*    C  22           H2*        C  22  -1.403  15.456  54.291
  235   2HO*    C  22          2HO*        C  22  -2.453  14.682  55.941
  236    H1*    C  22           H1*        C  22  -2.973  13.281  53.921
  237   1H4     C  22          1H4         C  22   1.917  12.662  49.872
  238   2H4     C  22          2H4         C  22   0.751  12.708  48.593
  239    H5     C  22           H5         C  22  -1.587  13.237  48.944
  240    H6     C  22           H6         C  22  -3.257  13.833  50.641
  241   1H5*    G  23          1H5*        G  23  -1.859  17.807  56.413
  242   2H5*    G  23          2H5*        G  23  -1.330  19.475  56.633
  243    H4*    G  23           H4*        G  23   0.103  17.818  57.658
  244    H3*    G  23           H3*        G  23   1.342  19.710  55.612
  245    H2*    G  23           H2*        G  23   3.490  18.559  56.037
  246   2HO*    G  23          2HO*        G  23   3.446  18.338  58.158
  247    H1*    G  23           H1*        G  23   2.547  16.003  55.973
  248    H8     G  23           H8         G  23   0.435  16.949  53.197
  249    H1     G  23           H1         G  23   6.640  17.442  51.658
  250   1H2     G  23          1H2         G  23   7.919  17.419  53.518
  251   2H2     G  23          2H2         G  23   7.174  17.280  55.057
  252   1H5*    G  24          1H5*        G  24   3.734  20.988  58.634
  253   2H5*    G  24          2H5*        G  24   3.888  22.739  58.503
  254    H4*    G  24           H4*        G  24   5.937  21.494  58.163
  255    H3*    G  24           H3*        G  24   5.007  23.355  55.922
  256    H2*    G  24           H2*        G  24   7.053  22.707  54.713
  257   2HO*    G  24          2HO*        G  24   8.727  21.822  55.611
  258    H1*    G  24           H1*        G  24   6.978  20.021  55.308
  259    H8     G  24           H8         G  24   3.381  20.585  54.529
  260    H1     G  24           H1         G  24   7.137  20.658  49.334
  261   1H2     G  24          1H2         G  24   9.309  20.800  49.932
  262   2H2     G  24          2H2         G  24   9.728  20.868  51.594
  263   1H5*    C  25          1H5*        C  25   9.098  24.464  56.462
  264   2H5*    C  25          2H5*        C  25   9.038  26.226  56.447
  265    H4*    C  25           H4*        C  25  10.636  25.345  54.920
  266    H3*    C  25           H3*        C  25   8.347  26.937  53.664
  267    H2*    C  25           H2*        C  25   9.460  26.560  51.494
  268   2HO*    C  25          2HO*        C  25  11.457  25.910  51.281
  269    H1*    C  25           H1*        C  25  10.092  23.918  51.880
  270   1H4     C  25          1H4         C  25   4.643  23.558  48.705
  271   2H4     C  25          2H4         C  25   3.739  23.698  50.175
  272    H5     C  25           H5         C  25   4.766  24.114  52.331
  273    H6     C  25           H6         C  25   6.905  24.478  53.476
  274   1H5*    A  26          1H5*        A  26  12.027  28.372  51.934
  275   2H5*    A  26          2H5*        A  26  11.792  30.117  51.846
  276    H4*    A  26           H4*        A  26  12.494  29.151  49.775
  277    H3*    A  26           H3*        A  26   9.774  30.546  49.759
  278    H2*    A  26           H2*        A  26   9.679  30.015  47.345
  279   2HO*    A  26          2HO*        A  26  11.351  29.345  46.210
  280    H1*    A  26           H1*        A  26  10.571  27.434  47.523
  281    H8     A  26           H8         A  26   8.270  28.061  50.504
  282   1H6     A  26          1H6         A  26   3.678  26.341  46.761
  283   2H6     A  26          2H6         A  26   4.120  26.741  48.386
  284    H2     A  26           H2         A  26   7.419  26.726  44.311
  285   1H5*    A  27          1H5*        A  27  12.063  32.078  46.392
  286   2H5*    A  27          2H5*        A  27  11.374  33.668  46.065
  287    H4*    A  27           H4*        A  27  11.351  31.911  44.277
  288    H3*    A  27           H3*        A  27   8.888  33.607  44.919
  289    H2*    A  27           H2*        A  27   7.735  32.382  43.126
  290   2HO*    A  27          2HO*        A  27   8.690  31.463  41.562
  291    H1*    A  27           H1*        A  27   8.730  29.879  43.707
  292    H8     A  27           H8         A  27   7.890  31.294  47.089
  293   1H6     A  27          1H6         A  27   2.066  29.573  46.001
  294   2H6     A  27          2H6         A  27   3.183  30.156  47.187
  295    H2     A  27           H2         A  27   4.391  29.159  42.183
  296   1H5*    G  28          1H5*        G  28   8.067  35.604  40.035
  297   2H5*    G  28          2H5*        G  28   6.995  35.689  41.433
  298    H4*    G  28           H4*        G  28   7.162  33.694  39.252
  299    H3*    G  28           H3*        G  28   4.910  35.440  40.263
  300    H2*    G  28           H2*        G  28   3.358  33.592  39.814
  301   2HO*    G  28          2HO*        G  28   4.116  32.914  37.913
  302    H1*    G  28           H1*        G  28   4.769  31.548  40.894
  303    H8     G  28           H8         G  28   5.886  33.564  43.603
  304    H1     G  28           H1         G  28  -0.514  33.195  43.599
  305   1H2     G  28          1H2         G  28  -1.261  32.465  41.598
  306   2H2     G  28          2H2         G  28  -0.138  32.101  40.355
  307   1H5*    A  29          1H5*        A  29   3.771  38.881  38.539
  308   2H5*    A  29          2H5*        A  29   3.674  37.330  39.372
  309    H4*    A  29           H4*        A  29   2.289  37.691  36.783
  310    H3*    A  29           H3*        A  29   1.367  39.177  39.227
  311    H2*    A  29           H2*        A  29  -0.862  38.256  38.925
  312   2HO*    A  29          2HO*        A  29  -1.460  37.126  37.119
  313    H1*    A  29           H1*        A  29  -0.313  35.655  38.423
  314    H8     A  29           H8         A  29   2.393  35.760  40.765
  315   1H6     A  29          1H6         A  29  -1.681  36.210  45.376
  316   2H6     A  29          2H6         A  29  -0.036  35.880  44.954
  317    H2     A  29           H2         A  29  -3.813  37.093  41.527
  318   1H5*    G  30          1H5*        G  30  -1.242  40.421  37.653
  319   2H5*    G  30          2H5*        G  30  -1.033  41.852  36.644
  320    H4*    G  30           H4*        G  30  -2.231  43.181  37.988
  321    H3*    G  30           H3*        G  30  -1.117  42.361  40.273
  322    H2*    G  30           H2*        G  30  -2.066  40.065  40.310
  323   2HO*    G  30          2HO*        G  30  -3.744  40.119  41.797
  324    H1*    G  30           H1*        G  30  -4.793  41.261  39.750
  325    H8     G  30           H8         G  30  -2.959  38.823  37.379
  326    H1     G  30           H1         G  30  -7.719  36.328  40.876
  327   1H2     G  30          1H2         G  30  -8.467  37.835  42.381
  328   2H2     G  30          2H2         G  30  -7.753  39.393  42.447
  329   1H5*    G  31          1H5*        G  31  -1.496  45.522  42.991
  330   2H5*    G  31          2H5*        G  31   0.056  44.697  43.147
  331    H4*    G  31           H4*        G  31  -2.507  43.258  42.703
  332    H3*    G  31           H3*        G  31  -1.841  44.542  45.230
  333    H2*    G  31           H2*        G  31  -0.801  42.692  46.204
  334   2HO*    G  31          2HO*        G  31  -2.113  41.147  46.900
  335    H1*    G  31           H1*        G  31  -1.951  40.755  44.148
  336    H8     G  31           H8         G  31  -0.966  38.620  45.186
  337    H1     G  31           H1         G  31   4.867  41.281  45.271
  338   1H2     G  31          1H2         G  31   4.751  43.457  44.682
  339   2H2     G  31          2H2         G  31   3.231  44.151  44.296
  340   1H5*    C  32          1H5*        C  32  -5.571  44.227  42.996
  341   2H5*    C  32          2H5*        C  32  -7.151  44.869  43.446
  342    H4*    C  32           H4*        C  32  -7.265  42.633  42.655
  343    H3*    C  32           H3*        C  32  -8.122  43.040  45.563
  344    H2*    C  32           H2*        C  32  -8.644  40.634  45.608
  345   2HO*    C  32          2HO*        C  32  -9.627  40.464  43.681
  346    H1*    C  32           H1*        C  32  -6.423  39.764  44.237
  347   1H4     C  32          1H4         C  32  -4.927  39.070  50.364
  348   2H4     C  32          2H4         C  32  -4.057  40.567  50.309
  349    H5     C  32           H5         C  32  -4.078  42.045  48.389
  350    H6     C  32           H6         C  32  -4.969  42.346  46.121
  351   1H5*    G  33          1H5*        G  33 -12.146  42.242  44.507
  352   2H5*    G  33          2H5*        G  33 -13.006  43.626  45.181
  353    H4*    G  33           H4*        G  33 -13.767  41.632  46.169
  354    H3*    G  33           H3*        G  33 -12.298  43.495  48.069
  355    H2*    G  33           H2*        G  33 -12.676  41.813  49.842
  356   2HO*    G  33          2HO*        G  33 -14.031  40.202  49.677
  357    H1*    G  33           H1*        G  33 -11.952  39.609  48.434
  358    H8     G  33           H8         G  33  -9.478  42.040  47.032
  359    H1     G  33           H1         G  33  -8.100  40.086  52.981
  360   1H2     G  33          1H2         G  33  -9.867  39.015  53.889
  361   2H2     G  33          2H2         G  33 -11.308  38.830  52.976
  362   1H5*    U  34          1H5*        U  34 -15.662  42.137  50.192
  363   2H5*    U  34          2H5*        U  34 -16.373  43.591  50.891
  364    H4*    U  34           H4*        U  34 -16.070  41.868  52.497
  365    H3*    U  34           H3*        U  34 -14.455  44.416  52.993
  366    H2*    U  34           H2*        U  34 -13.650  43.328  55.064
  367   2HO*    U  34          2HO*        U  34 -14.524  41.591  55.907
  368    H1*    U  34           H1*        U  34 -13.149  40.864  53.989
  369    H3     U  34           H3         U  34  -8.988  42.342  54.583
  370    H5     U  34           H5         U  34 -10.290  44.386  51.161
  371    H6     U  34           H6         U  34 -12.480  43.461  51.525
  372   1H5*    C  35          1H5*        C  35 -16.087  43.743  56.813
  373   2H5*    C  35          2H5*        C  35 -16.846  45.295  57.168
  374    H4*    C  35           H4*        C  35 -15.521  44.694  58.962
  375    H3*    C  35           H3*        C  35 -14.298  47.019  57.395
  376    H2*    C  35           H2*        C  35 -12.497  47.034  59.063
  377   2HO*    C  35          2HO*        C  35 -12.613  46.065  60.956
  378    H1*    C  35           H1*        C  35 -12.219  44.297  59.317
  379   1H4     C  35          1H4         C  35  -7.537  45.803  55.354
  380   2H4     C  35          2H4         C  35  -8.620  45.766  54.002
  381    H5     C  35           H5         C  35 -11.010  45.435  54.227
  382    H6     C  35           H6         C  35 -12.825  45.073  55.839
  383    H3T    C  35           H3T        C  35 -14.930  47.625  59.767
  384   1H5*    G  36          1H5*        G  36   2.037  45.429  60.251
  385   2H5*    G  36          2H5*        G  36   0.975  46.270  59.096
  386    H4*    G  36           H4*        G  36   0.440  45.710  61.983
  387    H3*    G  36           H3*        G  36  -0.546  44.197  59.536
  388    H2*    G  36           H2*        G  36  -2.728  43.985  60.680
  389   2HO*    G  36          2HO*        G  36  -3.034  44.402  62.738
  390    H1*    G  36           H1*        G  36  -2.958  46.553  61.530
  391    H8     G  36           H8         G  36  -1.282  47.021  58.184
  392    H1     G  36           H1         G  36  -7.572  45.826  57.852
  393   1H2     G  36          1H2         G  36  -8.355  45.148  59.858
  394   2H2     G  36          2H2         G  36  -7.280  45.025  61.189
  395    H5T    G  36           H5T        G  36   2.534  47.670  60.055
  396   1H5*    A  37          1H5*        A  37  -2.096  42.017  62.777
  397   2H5*    A  37          2H5*        A  37  -1.630  40.356  62.411
  398    H4*    A  37           H4*        A  37  -3.927  40.526  62.924
  399    H3*    A  37           H3*        A  37  -3.330  39.673  60.049
  400    H2*    A  37           H2*        A  37  -5.766  39.488  59.738
  401   2HO*    A  37          2HO*        A  37  -7.160  39.389  61.313
  402    H1*    A  37           H1*        A  37  -6.470  41.782  61.083
  403    H8     A  37           H8         A  37  -3.453  42.850  59.111
  404   1H6     A  37          1H6         A  37  -7.246  43.546  54.296
  405   2H6     A  37          2H6         A  37  -5.657  43.839  54.913
  406    H2     A  37           H2         A  37  -9.481  41.407  57.548
  407   1H5*    C  38          1H5*        C  38  -6.180  36.902  61.247
  408   2H5*    C  38          2H5*        C  38  -5.602  35.349  60.644
  409    H4*    C  38           H4*        C  38  -7.838  35.913  59.969
  410    H3*    C  38           H3*        C  38  -5.789  35.438  57.751
  411    H2*    C  38           H2*        C  38  -7.548  35.863  56.138
  412   2HO*    C  38          2HO*        C  38  -9.607  35.661  56.532
  413    H1*    C  38           H1*        C  38  -8.922  37.834  57.578
  414   1H4     C  38          1H4         C  38  -5.884  40.963  52.978
  415   2H4     C  38          2H4         C  38  -4.544  41.227  54.041
  416    H5     C  38           H5         C  38  -4.384  40.235  56.247
  417    H6     C  38           H6         C  38  -5.520  38.771  57.855
  418   1H5*    G  39          1H5*        G  39  -9.286  33.038  56.774
  419   2H5*    G  39          2H5*        G  39  -8.592  31.539  56.155
  420    H4*    G  39           H4*        G  39 -10.262  32.593  54.736
  421    H3*    G  39           H3*        G  39  -7.503  32.016  53.554
  422    H2*    G  39           H2*        G  39  -8.386  32.926  51.428
  423   2HO*    G  39          2HO*        G  39 -10.406  33.142  50.995
  424    H1*    G  39           H1*        G  39  -9.645  35.110  52.482
  425    H8     G  39           H8         G  39  -6.501  34.993  54.543
  426    H1     G  39           H1         G  39  -5.664  37.299  48.620
  427   1H2     G  39          1H2         G  39  -7.491  36.908  47.355
  428   2H2     G  39          2H2         G  39  -8.838  36.094  48.039
  429   1H5*    G  40          1H5*        G  40  -8.141  28.992  49.598
  430   2H5*    G  40          2H5*        G  40  -6.958  30.258  49.931
  431    H4*    G  40           H4*        G  40  -9.513  30.504  48.419
  432    H3*    G  40           H3*        G  40  -6.672  30.271  47.352
  433    H2*    G  40           H2*        G  40  -7.308  31.923  45.624
  434   2HO*    G  40          2HO*        G  40  -9.304  32.490  45.204
  435    H1*    G  40           H1*        G  40  -8.587  33.686  47.250
  436    H8     G  40           H8         G  40  -5.907  32.815  49.643
  437    H1     G  40           H1         G  40  -3.791  36.300  44.696
  438   1H2     G  40          1H2         G  40  -5.335  36.352  43.050
  439   2H2     G  40          2H2         G  40  -6.821  35.522  43.254
  440   1H5*    C  41          1H5*        C  41  -8.471  30.065  43.900
  441   2H5*    C  41          2H5*        C  41  -7.958  28.580  43.099
  442    H4*    C  41           H4*        C  41  -7.596  30.406  41.689
  443    H3*    C  41           H3*        C  41  -5.010  29.129  42.685
  444    H2*    C  41           H2*        C  41  -3.812  30.798  41.305
  445   2HO*    C  41          2HO*        C  41  -4.799  32.073  39.868
  446    H1*    C  41           H1*        C  41  -5.295  32.974  42.014
  447   1H4     C  41          1H4         C  41  -0.552  33.159  46.184
  448   2H4     C  41          2H4         C  41  -1.432  32.139  47.272
  449    H5     C  41           H5         C  41  -3.558  31.118  46.708
  450    H6     C  41           H6         C  41  -5.251  30.894  44.946
  451   1H5*    U  42          1H5*        U  42  -4.590  27.776  38.787
  452   2H5*    U  42          2H5*        U  42  -4.335  26.031  38.776
  453    H4*    U  42           H4*        U  42  -2.507  27.228  37.855
  454    H3*    U  42           H3*        U  42  -1.886  25.637  40.391
  455    H2*    U  42           H2*        U  42   0.410  26.396  40.210
  456   2HO*    U  42          2HO*        U  42   1.294  27.148  38.417
  457    H1*    U  42           H1*        U  42  -0.113  28.962  39.224
  458    H3     U  42           H3         U  42   1.957  29.915  43.062
  459    H5     U  42           H5         U  42  -1.844  28.621  44.268
  460    H6     U  42           H6         U  42  -2.294  28.028  41.981
  461   1H5*    U  43          1H5*        U  43   0.996  24.575  37.354
  462   2H5*    U  43          2H5*        U  43   1.386  22.873  37.609
  463    H4*    U  43           H4*        U  43   3.283  24.379  37.507
  464    H3*    U  43           H3*        U  43   2.953  22.646  40.008
  465    H2*    U  43           H2*        U  43   5.027  23.637  40.835
  466   2HO*    U  43          2HO*        U  43   6.434  24.678  39.605
  467    H1*    U  43           H1*        U  43   4.597  26.222  39.912
  468    H3     U  43           H3         U  43   4.639  26.709  44.370
  469    H5     U  43           H5         U  43   0.804  25.245  43.521
  470    H6     U  43           H6         U  43   1.509  24.908  41.245
  471   1H5*    G  44          1H5*        G  44   6.963  22.276  38.283
  472   2H5*    G  44          2H5*        G  44   7.432  20.594  38.525
  473    H4*    G  44           H4*        G  44   9.107  22.199  39.198
  474    H3*    G  44           H3*        G  44   8.084  20.241  41.294
  475    H2*    G  44           H2*        G  44   9.630  21.323  42.892
  476   2HO*    G  44          2HO*        G  44  11.181  22.657  42.324
  477    H1*    G  44           H1*        G  44   9.062  23.906  42.266
  478    H8     G  44           H8         G  44   5.749  22.032  41.973
  479    H1     G  44           H1         G  44   7.354  23.849  47.909
  480   1H2     G  44          1H2         G  44   9.479  24.607  47.955
  481   2H2     G  44          2H2         G  44  10.403  24.628  46.511
  482   1H5*    C  45          1H5*        C  45  12.161  20.229  41.970
  483   2H5*    C  45          2H5*        C  45  12.601  18.523  42.039
  484    H4*    C  45           H4*        C  45  13.395  19.652  43.930
  485    H3*    C  45           H3*        C  45  11.189  17.630  44.558
  486    H2*    C  45           H2*        C  45  11.505  18.235  46.932
  487   2HO*    C  45          2HO*        C  45  13.175  19.302  47.673
  488    H1*    C  45           H1*        C  45  11.676  20.946  46.582
  489   1H4     C  45          1H4         C  45   5.556  20.191  47.926
  490   2H4     C  45          2H4         C  45   5.201  19.797  46.278
  491    H5     C  45           H5         C  45   6.909  19.552  44.575
  492    H6     C  45           H6         C  45   9.324  19.647  44.153
  493   1H5*    U  46          1H5*        U  46  13.985  16.742  47.362
  494   2H5*    U  46          2H5*        U  46  14.101  14.984  47.453
  495    H4*    U  46           H4*        U  46  13.631  15.909  49.563
  496    H3*    U  46           H3*        U  46  11.365  14.206  48.421
  497    H2*    U  46           H2*        U  46  10.159  14.651  50.536
  498   2HO*    U  46          2HO*        U  46  11.068  15.446  52.273
  499    H1*    U  46           H1*        U  46  10.710  17.323  50.693
  500    H3     U  46           H3         U  46   6.394  17.451  49.588
  501    H5     U  46           H5         U  46   8.318  16.533  45.978
  502    H6     U  46           H6         U  46  10.378  16.331  47.206
  503   1H5*    G  47          1H5*        G  47  11.974  13.119  52.373
  504   2H5*    G  47          2H5*        G  47  11.872  11.361  52.487
  505    H4*    G  47           H4*        G  47  10.479  12.668  54.034
  506    H3*    G  47           H3*        G  47   9.339  10.443  52.350
  507    H2*    G  47           H2*        G  47   7.136  11.067  52.733
  508   2HO*    G  47          2HO*        G  47   6.412  11.758  54.660
  509    H1*    G  47           H1*        G  47   7.674  13.721  53.861
  510    H8     G  47           H8         G  47   8.059  13.851  50.149
  511    H1     G  47           H1         G  47   1.960  14.128  52.112
  512   1H2     G  47          1H2         G  47   1.808  13.570  54.294
  513   2H2     G  47          2H2         G  47   3.226  13.156  55.164
  514   1H5*    A  48          1H5*        A  48   8.230   9.880  56.209
  515   2H5*    A  48          2H5*        A  48   8.383   8.273  56.917
  516    H4*    A  48           H4*        A  48   6.211   9.159  57.216
  517    H3*    A  48           H3*        A  48   6.465   6.648  55.586
  518    H2*    A  48           H2*        A  48   4.357   6.821  54.648
  519   2HO*    A  48          2HO*        A  48   2.595   7.532  55.833
  520    H1*    A  48           H1*        A  48   3.757   9.555  55.579
  521    H8     A  48           H8         A  48   5.861   8.750  52.434
  522   1H6     A  48          1H6         A  48   0.746  10.212  49.309
  523   2H6     A  48          2H6         A  48   2.418   9.783  49.187
  524    H2     A  48           H2         A  48  -0.220  10.272  53.690
  525   1H5*    A  49          1H5*        A  49   2.703   4.154  59.568
  526   2H5*    A  49          2H5*        A  49   3.529   3.377  58.218
  527    H4*    A  49           H4*        A  49   1.014   4.819  58.379
  528    H3*    A  49           H3*        A  49   1.960   2.380  56.907
  529    H2*    A  49           H2*        A  49   0.964   2.967  54.904
  530   2HO*    A  49          2HO*        A  49  -1.091   4.156  56.399
  531    H1*    A  49           H1*        A  49   0.186   5.712  55.669
  532    H8     A  49           H8         A  49   3.668   4.635  54.346
  533   1H6     A  49          1H6         A  49   1.875   7.319  49.089
  534   2H6     A  49          2H6         A  49   3.178   6.538  49.919
  535    H2     A  49           H2         A  49  -1.576   7.402  51.956
  536   1H5*    G  50          1H5*        G  50  -3.241   0.745  55.913
  537   2H5*    G  50          2H5*        G  50  -2.065   1.698  55.006
  538    H4*    G  50           H4*        G  50  -4.359   2.897  56.494
  539    H3*    G  50           H3*        G  50  -4.572   1.625  53.780
  540    H2*    G  50           H2*        G  50  -5.623   3.644  52.932
  541   2HO*    G  50          2HO*        G  50  -6.488   5.147  54.136
  542    H1*    G  50           H1*        G  50  -4.031   5.572  53.966
  543    H8     G  50           H8         G  50  -1.078   3.703  53.496
  544    H1     G  50           H1         G  50  -4.002   4.647  47.868
  545   1H2     G  50          1H2         G  50  -6.150   5.262  48.188
  546   2H2     G  50          2H2         G  50  -6.761   5.411  49.783
  547   1H5*    C  51          1H5*        C  51  -8.624   1.496  54.388
  548   2H5*    C  51          2H5*        C  51  -9.183  -0.157  54.137
  549    H4*    C  51           H4*        C  51 -10.090   1.353  52.550
  550    H3*    C  51           H3*        C  51  -8.279  -0.819  51.387
  551    H2*    C  51           H2*        C  51  -8.798   0.122  49.169
  552   2HO*    C  51          2HO*        C  51 -10.410   1.424  48.780
  553    H1*    C  51           H1*        C  51  -8.615   2.778  49.861
  554   1H4     C  51          1H4         C  51  -2.927   1.464  47.412
  555   2H4     C  51          2H4         C  51  -2.325   1.076  48.989
  556    H5     C  51           H5         C  51  -3.731   0.983  50.960
  557    H6     C  51           H6         C  51  -6.029   1.254  51.778
  558   1H5*    G  52          1H5*        G  52 -11.726  -0.901  48.861
  559   2H5*    G  52          2H5*        G  52 -12.065  -2.627  48.740
  560    H4*    G  52           H4*        G  52 -11.968  -1.674  46.608
  561    H3*    G  52           H3*        G  52  -9.656  -3.593  47.174
  562    H2*    G  52           H2*        G  52  -8.916  -3.151  44.854
  563   2HO*    G  52          2HO*        G  52 -10.118  -2.227  43.382
  564    H1*    G  52           H1*        G  52  -9.269  -0.440  44.888
  565    H8     G  52           H8         G  52  -7.873  -1.636  48.276
  566    H1     G  52           H1         G  52  -3.518  -0.261  43.776
  567   1H2     G  52          1H2         G  52  -4.527   0.127  41.795
  568   2H2     G  52          2H2         G  52  -6.235   0.030  41.678
  569   1H5*    C  53          1H5*        C  53 -11.332  -4.613  43.338
  570   2H5*    C  53          2H5*        C  53 -11.244  -6.373  43.266
  571    H4*    C  53           H4*        C  53 -10.272  -5.313  41.366
  572    H3*    C  53           H3*        C  53  -8.370  -6.993  43.069
  573    H2*    C  53           H2*        C  53  -6.622  -6.440  41.415
  574   2HO*    C  53          2HO*        C  53  -7.004  -5.739  39.490
  575    H1*    C  53           H1*        C  53  -7.239  -3.783  41.129
  576   1H4     C  53          1H4         C  53  -2.700  -3.448  45.484
  577   2H4     C  53          2H4         C  53  -3.758  -4.040  46.720
  578    H5     C  53           H5         C  53  -6.035  -4.753  46.290
  579    H6     C  53           H6         C  53  -7.735  -5.026  44.543
  580   1H5*    G  54          1H5*        G  54  -7.795  -8.811  39.123
  581   2H5*    G  54          2H5*        G  54  -7.335 -10.460  39.550
  582    H4*    G  54           H4*        G  54  -5.714  -9.189  38.236
  583    H3*    G  54           H3*        G  54  -4.821 -10.453  40.872
  584    H2*    G  54           H2*        G  54  -2.567  -9.561  40.364
  585   2HO*    G  54          2HO*        G  54  -1.963  -8.889  38.474
  586    H1*    G  54           H1*        G  54  -3.355  -7.072  39.554
  587    H8     G  54           H8         G  54  -5.606  -7.970  42.499
  588    H1     G  54           H1         G  54   0.158  -5.652  44.084
  589   1H2     G  54          1H2         G  54   1.486  -5.526  42.262
  590   2H2     G  54          2H2         G  54   0.881  -6.021  40.736
  591   1H5*    C  55          1H5*        C  55  -2.014 -12.665  38.287
  592   2H5*    C  55          2H5*        C  55  -1.846 -14.154  39.216
  593    H4*    C  55           H4*        C  55   0.190 -12.824  38.852
  594    H3*    C  55           H3*        C  55  -0.583 -13.680  41.680
  595    H2*    C  55           H2*        C  55   1.489 -12.553  42.432
  596   2HO*    C  55          2HO*        C  55   3.027 -11.890  41.104
  597    H1*    C  55           H1*        C  55   1.214 -10.285  40.934
  598   1H4     C  55          1H4         C  55  -1.585  -8.334  46.219
  599   2H4     C  55          2H4         C  55  -2.918  -9.416  45.999
  600    H5     C  55           H5         C  55  -3.057 -10.996  44.167
  601    H6     C  55           H6         C  55  -1.900 -11.833  42.171
  602   1H5*    A  56          1H5*        A  56   3.422 -15.579  41.032
  603   2H5*    A  56          2H5*        A  56   3.012 -17.265  41.347
  604    H4*    A  56           H4*        A  56   5.043 -16.772  42.414
  605    H3*    A  56           H3*        A  56   2.748 -17.324  44.291
  606    H2*    A  56           H2*        A  56   4.189 -16.715  46.167
  607   2HO*    A  56          2HO*        A  56   6.271 -16.672  46.096
  608    H1*    A  56           H1*        A  56   5.318 -14.447  45.211
  609    H8     A  56           H8         A  56   1.895 -14.194  43.706
  610   1H6     A  56          1H6         A  56   0.060 -11.926  49.141
  611   2H6     A  56          2H6         A  56  -0.374 -12.191  47.488
  612    H2     A  56           H2         A  56   4.207 -13.569  49.633
  613   1H5*    C  57          1H5*        C  57   3.973 -21.161  47.231
  614   2H5*    C  57          2H5*        C  57   2.529 -20.154  47.346
  615    H4*    C  57           H4*        C  57   5.182 -19.789  48.654
  616    H3*    C  57           H3*        C  57   2.505 -20.589  49.815
  617    H2*    C  57           H2*        C  57   2.989 -19.149  51.747
  618   2HO*    C  57          2HO*        C  57   4.895 -18.409  52.230
  619    H1*    C  57           H1*        C  57   3.882 -16.950  50.443
  620   1H4     C  57          1H4         C  57  -2.444 -16.292  50.931
  621   2H4     C  57          2H4         C  57  -2.491 -16.291  49.200
  622    H5     C  57           H5         C  57  -0.563 -16.800  47.820
  623    H6     C  57           H6         C  57   1.811 -17.417  47.872
  624   1H5*    G  58          1H5*        G  58   4.780 -21.667  52.865
  625   2H5*    G  58          2H5*        G  58   4.505 -23.342  53.342
  626    H4*    G  58           H4*        G  58   4.215 -21.717  55.113
  627    H3*    G  58           H3*        G  58   1.869 -23.551  54.448
  628    H2*    G  58           H2*        G  58   0.641 -22.424  56.279
  629   2HO*    G  58          2HO*        G  58   2.147 -22.274  57.780
  630    H1*    G  58           H1*        G  58   1.336 -19.864  55.648
  631    H8     G  58           H8         G  58   0.880 -20.692  52.163
  632    H1     G  58           H1         G  58  -4.641 -21.168  55.390
  633   1H2     G  58          1H2         G  58  -4.252 -21.225  57.612
  634   2H2     G  58          2H2         G  58  -2.642 -21.139  58.194
  635   1H5*    G  59          1H5*        G  59   2.199 -24.911  58.247
  636   2H5*    G  59          2H5*        G  59   1.975 -26.660  58.227
  637    H4*    G  59           H4*        G  59   0.279 -25.421  59.425
  638    H3*    G  59           H3*        G  59  -0.630 -27.215  57.121
  639    H2*    G  59           H2*        G  59  -2.931 -26.547  57.679
  640   2HO*    G  59          2HO*        G  59  -3.509 -25.708  59.509
  641    H1*    G  59           H1*        G  59  -2.427 -23.879  58.137
  642    H8     G  59           H8         G  59  -0.399 -24.380  55.056
  643    H1     G  59           H1         G  59  -6.714 -24.333  53.950
  644   1H2     G  59          1H2         G  59  -7.856 -24.517  55.887
  645   2H2     G  59          2H2         G  59  -7.000 -24.642  57.368
  646   1H5*    C  60          1H5*        C  60  -3.219 -28.391  60.337
  647   2H5*    C  60          2H5*        C  60  -3.205 -30.151  60.218
  648    H4*    C  60           H4*        C  60  -5.405 -29.238  60.266
  649    H3*    C  60           H3*        C  60  -4.653 -30.766  57.726
  650    H2*    C  60           H2*        C  60  -6.957 -30.335  56.951
  651   2HO*    C  60          2HO*        C  60  -8.533 -29.695  58.207
  652    H1*    C  60           H1*        C  60  -7.111 -27.715  57.750
  653   1H4     C  60          1H4         C  60  -5.407 -27.193  51.690
  654   2H4     C  60          2H4         C  60  -3.736 -27.359  52.112
  655    H5     C  60           H5         C  60  -2.977 -27.850  54.361
  656    H6     C  60           H6         C  60  -3.719 -28.276  56.661
  657   1H5*    A  61          1H5*        A  61  -8.533 -32.156  59.008
  658   2H5*    A  61          2H5*        A  61  -8.451 -33.899  58.753
  659    H4*    A  61           H4*        A  61 -10.387 -32.893  57.780
  660    H3*    A  61           H3*        A  61  -8.472 -34.272  55.839
  661    H2*    A  61           H2*        A  61 -10.087 -33.685  54.058
  662   2HO*    A  61          2HO*        A  61 -12.066 -32.982  54.436
  663    H1*    A  61           H1*        A  61 -10.564 -31.113  54.857
  664    H8     A  61           H8         A  61  -6.844 -31.820  55.368
  665   1H6     A  61          1H6         A  61  -6.143 -29.963  49.527
  666   2H6     A  61          2H6         A  61  -5.332 -30.416  50.986
  667    H2     A  61           H2         A  61 -10.538 -30.283  50.382
  668   1H5*    A  62          1H5*        A  62 -12.478 -35.716  55.018
  669   2H5*    A  62          2H5*        A  62 -12.257 -37.299  54.273
  670    H4*    A  62           H4*        A  62 -13.460 -35.505  53.013
  671    H3*    A  62           H3*        A  62 -11.272 -37.199  51.710
  672    H2*    A  62           H2*        A  62 -11.691 -35.925  49.648
  673   2HO*    A  62          2HO*        A  62 -13.459 -34.979  49.222
  674    H1*    A  62           H1*        A  62 -11.967 -33.443  50.814
  675    H8     A  62           H8         A  62  -9.014 -34.932  52.605
  676   1H6     A  62          1H6         A  62  -5.602 -33.138  47.788
  677   2H6     A  62          2H6         A  62  -5.574 -33.759  49.403
  678    H2     A  62           H2         A  62  -9.931 -32.651  46.704
  679   1H5*    G  63          1H5*        G  63 -14.128 -39.071  47.603
  680   2H5*    G  63          2H5*        G  63 -12.385 -39.177  47.851
  681    H4*    G  63           H4*        G  63 -14.012 -37.131  46.461
  682    H3*    G  63           H3*        G  63 -11.721 -38.885  45.557
  683    H2*    G  63           H2*        G  63 -10.905 -37.014  44.195
  684   2HO*    G  63          2HO*        G  63 -12.769 -36.290  43.388
  685    H1*    G  63           H1*        G  63 -11.125 -35.011  46.004
  686    H8     G  63           H8         G  63 -10.051 -37.112  48.666
  687    H1     G  63           H1         G  63  -5.483 -36.682  44.188
  688   1H2     G  63          1H2         G  63  -6.342 -35.889  42.258
  689   2H2     G  63          2H2         G  63  -8.011 -35.501  42.168
  690   1H5*    A  64          1H5*        A  64 -12.151 -42.279  43.455
  691   2H5*    A  64          2H5*        A  64 -11.474 -40.760  44.039
  692    H4*    A  64           H4*        A  64 -12.259 -41.024  41.201
  693    H3*    A  64           H3*        A  64  -9.919 -42.566  42.297
  694    H2*    A  64           H2*        A  64  -8.514 -41.631  40.541
  695   2HO*    A  64          2HO*        A  64  -9.336 -40.440  38.860
  696    H1*    A  64           H1*        A  64  -9.233 -39.024  40.624
  697    H8     A  64           H8         A  64  -9.529 -39.212  44.190
  698   1H6     A  64          1H6         A  64  -3.398 -39.734  44.624
  699   2H6     A  64          2H6         A  64  -4.866 -39.411  45.481
  700    H2     A  64           H2         A  64  -4.575 -40.499  40.361
  701   1H5*    G  65          1H5*        G  65  -9.159 -43.756  39.294
  702   2H5*    G  65          2H5*        G  65 -10.026 -45.174  38.707
  703    H4*    G  65           H4*        G  65  -8.237 -46.509  38.778
  704    H3*    G  65           H3*        G  65  -7.431 -45.768  41.215
  705    H2*    G  65           H2*        G  65  -6.702 -43.463  40.647
  706   2HO*    G  65          2HO*        G  65  -4.462 -43.538  40.537
  707    H1*    G  65           H1*        G  65  -5.155 -44.607  38.306
  708    H8     G  65           H8         G  65  -8.095 -42.120  37.975
  709    H1     G  65           H1         G  65  -2.217 -39.679  37.197
  710   1H2     G  65          1H2         G  65  -0.649 -41.224  37.697
  711   2H2     G  65          2H2         G  65  -1.131 -42.790  38.199
  712   1H5*    G  66          1H5*        G  66  -5.267 -48.985  42.800
  713   2H5*    G  66          2H5*        G  66  -6.247 -48.180  44.025
  714    H4*    G  66           H4*        G  66  -4.731 -46.711  41.932
  715    H3*    G  66           H3*        G  66  -3.437 -48.049  44.168
  716    H2*    G  66           H2*        G  66  -3.484 -46.232  45.636
  717   2HO*    G  66          2HO*        G  66  -2.051 -44.683  45.244
  718    H1*    G  66           H1*        G  66  -4.088 -44.241  43.405
  719    H8     G  66           H8         G  66  -4.074 -42.127  44.859
  720    H1     G  66           H1         G  66  -8.115 -44.867  49.013
  721   1H2     G  66          1H2         G  66  -8.441 -47.037  48.483
  722   2H2     G  66          2H2         G  66  -7.639 -47.707  47.124
  723   1H5*    C  67          1H5*        C  67  -2.293 -47.642  39.967
  724   2H5*    C  67          2H5*        C  67  -0.838 -48.270  39.193
  725    H4*    C  67           H4*        C  67  -1.303 -46.018  38.587
  726    H3*    C  67           H3*        C  67   1.328 -46.464  40.078
  727    H2*    C  67           H2*        C  67   1.740 -44.050  39.798
  728   2HO*    C  67          2HO*        C  67   1.109 -43.833  37.736
  729    H1*    C  67           H1*        C  67  -0.802 -43.188  40.382
  730   1H4     C  67          1H4         C  67   2.388 -42.661  45.842
  731   2H4     C  67          2H4         C  67   1.708 -44.164  46.370
  732    H5     C  67           H5         C  67   0.374 -45.593  44.937
  733    H6     C  67           H6         C  67  -0.563 -45.827  42.681
  734   1H5*    G  68          1H5*        G  68   3.506 -45.624  36.528
  735   2H5*    G  68          2H5*        G  68   4.586 -47.014  36.407
  736    H4*    G  68           H4*        G  68   5.823 -45.020  36.618
  737    H3*    G  68           H3*        G  68   6.081 -46.927  38.971
  738    H2*    G  68           H2*        G  68   7.587 -45.269  40.015
  739   2HO*    G  68          2HO*        G  68   8.452 -43.639  38.986
  740    H1*    G  68           H1*        G  68   6.096 -43.052  39.545
  741    H8     G  68           H8         G  68   3.330 -45.481  40.206
  742    H1     G  68           H1         G  68   6.479 -43.650  45.483
  743   1H2     G  68          1H2         G  68   8.387 -42.577  44.932
  744   2H2     G  68          2H2         G  68   8.792 -42.362  43.279
  745   1H5*    U  69          1H5*        U  69   9.990 -45.564  38.210
  746   2H5*    U  69          2H5*        U  69  10.976 -47.026  38.209
  747    H4*    U  69           H4*        U  69  11.855 -45.316  39.616
  748    H3*    U  69           H3*        U  69  11.046 -47.907  41.021
  749    H2*    U  69           H2*        U  69  11.880 -46.869  43.105
  750   2HO*    U  69          2HO*        U  69  13.090 -45.131  43.162
  751    H1*    U  69           H1*        U  69  10.773 -44.394  42.726
  752    H3     U  69           H3         U  69   8.201 -45.967  46.014
  753    H5     U  69           H5         U  69   6.745 -47.904  42.592
  754    H6     U  69           H6         U  69   8.575 -46.948  41.355
  755   1H5*    C  70          1H5*        C  70  14.877 -47.361  42.663
  756   2H5*    C  70          2H5*        C  70  15.640 -48.922  42.356
  757    H4*    C  70           H4*        C  70  15.890 -48.372  44.594
  758    H3*    C  70           H3*        C  70  13.935 -50.690  44.191
  759    H2*    C  70           H2*        C  70  13.705 -50.786  46.617
  760   2HO*    C  70          2HO*        C  70  15.086 -49.915  47.989
  761    H1*    C  70           H1*        C  70  13.792 -48.047  47.108
  762   1H4     C  70          1H4         C  70   7.640 -49.399  47.602
  763   2H4     C  70          2H4         C  70   7.445 -49.297  45.885
  764    H5     C  70           H5         C  70   9.297 -48.970  44.355
  765    H6     C  70           H6         C  70  11.728 -48.675  44.212
  766    H3T    C  70           H3T        C  70  16.007 -51.335  45.491
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   4.614 -51.598  53.889
    2   2H5*    G   1          2H5*        G   1   4.885 -52.291  52.272
    3    H4*    G   1           H4*        G   1   6.938 -51.694  54.358
    4    H3*    G   1           H3*        G   1   6.172 -50.050  51.916
    5    H2*    G   1           H2*        G   1   8.582 -49.578  51.614
    6   2HO*    G   1          2HO*        G   1  10.066 -49.995  53.088
    7    H1*    G   1           H1*        G   1   9.508 -52.104  51.978
    8    H8     G   1           H8         G   1   6.182 -52.516  50.157
    9    H1     G   1           H1         G   1  11.206 -51.180  46.406
   10   1H2     G   1          1H2         G   1  12.996 -50.608  47.657
   11   2H2     G   1          2H2         G   1  12.863 -50.586  49.366
   12    H5T    G   1           H5T        G   1   4.314 -53.881  53.838
   13   1H5*    A   2          1H5*        A   2   9.139 -47.835  53.873
   14   2H5*    A   2          2H5*        A   2   8.472 -46.206  53.967
   15    H4*    A   2           H4*        A   2  10.674 -46.245  53.080
   16    H3*    A   2           H3*        A   2   8.512 -45.228  51.170
   17    H2*    A   2           H2*        A   2  10.307 -44.833  49.543
   18   2HO*    A   2          2HO*        A   2  12.358 -44.713  50.039
   19    H1*    A   2           H1*        A   2  11.765 -47.126  50.052
   20    H8     A   2           H8         A   2   8.189 -48.302  49.914
   21   1H6     A   2          1H6         A   2   8.817 -48.422  43.778
   22   2H6     A   2          2H6         A   2   7.817 -48.867  45.118
   23    H2     A   2           H2         A   2  12.391 -46.335  45.516
   24   1H5*    C   3          1H5*        C   3  11.413 -42.413  50.774
   25   2H5*    C   3          2H5*        C   3  10.621 -40.840  50.858
   26    H4*    C   3           H4*        C   3  11.960 -41.083  48.920
   27    H3*    C   3           H3*        C   3   8.968 -40.727  48.402
   28    H2*    C   3           H2*        C   3   9.438 -40.842  46.029
   29   2HO*    C   3          2HO*        C   3  11.301 -40.396  45.157
   30    H1*    C   3           H1*        C   3  11.531 -42.703  46.139
   31   1H4     C   3          1H4         C   3   6.617 -45.959  43.827
   32   2H4     C   3          2H4         C   3   6.128 -46.381  45.433
   33    H5     C   3           H5         C   3   7.187 -45.489  47.422
   34    H6     C   3           H6         C   3   8.953 -43.990  48.232
   35   1H5*    G   4          1H5*        G   4  10.621 -37.235  46.245
   36   2H5*    G   4          2H5*        G   4   9.479 -35.968  46.692
   37    H4*    G   4           H4*        G   4   9.779 -36.122  44.347
   38    H3*    G   4           H3*        G   4   6.956 -36.756  45.337
   39    H2*    G   4           H2*        G   4   6.331 -37.044  42.973
   40   2HO*    G   4          2HO*        G   4   7.234 -35.448  41.972
   41    H1*    G   4           H1*        G   4   8.586 -38.407  42.173
   42    H8     G   4           H8         G   4   7.482 -39.770  45.579
   43    H1     G   4           H1         G   4   4.531 -42.337  40.498
   44   1H2     G   4          1H2         G   4   5.045 -41.189  38.624
   45   2H2     G   4          2H2         G   4   6.097 -39.838  38.718
   46   1H5*    G   5          1H5*        G   5   4.755 -32.070  42.815
   47   2H5*    G   5          2H5*        G   5   3.934 -33.282  43.799
   48    H4*    G   5           H4*        G   5   4.709 -33.412  40.927
   49    H3*    G   5           H3*        G   5   1.977 -33.151  42.221
   50    H2*    G   5           H2*        G   5   1.109 -34.674  40.485
   51   2HO*    G   5          2HO*        G   5   2.110 -35.126  38.702
   52    H1*    G   5           H1*        G   5   3.058 -36.554  40.586
   53    H8     G   5           H8         G   5   2.921 -35.661  44.217
   54    H1     G   5           H1         G   5  -2.004 -39.262  42.243
   55   1H2     G   5          1H2         G   5  -2.069 -39.344  39.989
   56   2H2     G   5          2H2         G   5  -0.885 -38.503  39.075
   57   1H5*    C   6          1H5*        C   6   0.748 -32.365  38.463
   58   2H5*    C   6          2H5*        C   6  -0.281 -30.937  38.562
   59    H4*    C   6           H4*        C   6  -1.395 -32.823  37.618
   60    H3*    C   6           H3*        C   6  -2.571 -31.740  40.222
   61    H2*    C   6           H2*        C   6  -4.320 -33.478  39.987
   62   2HO*    C   6          2HO*        C   6  -4.562 -34.673  38.192
   63    H1*    C   6           H1*        C   6  -2.668 -35.542  39.302
   64   1H4     C   6          1H4         C   6  -3.095 -36.204  45.569
   65   2H4     C   6          2H4         C   6  -1.786 -35.095  45.806
   66    H5     C   6           H5         C   6  -0.744 -33.864  43.998
   67    H6     C   6           H6         C   6  -0.783 -33.475  41.576
   68   1H5*    U   7          1H5*        U   7  -5.942 -30.831  38.007
   69   2H5*    U   7          2H5*        U   7  -6.251 -29.109  38.231
   70    H4*    U   7           H4*        U   7  -8.124 -30.370  38.850
   71    H3*    U   7           H3*        U   7  -6.769 -28.972  41.210
   72    H2*    U   7           H2*        U   7  -8.549 -29.902  42.623
   73   2HO*    U   7          2HO*        U   7 -10.378 -30.682  41.878
   74    H1*    U   7           H1*        U   7  -8.668 -32.401  41.454
   75    H3     U   7           H3         U   7  -7.039 -33.527  45.439
   76    H5     U   7           H5         U   7  -3.791 -31.671  43.545
   77    H6     U   7           H6         U   7  -5.260 -31.107  41.725
   78   1H5*    U   8          1H5*        U   8 -10.959 -28.104  41.302
   79   2H5*    U   8          2H5*        U   8 -11.124 -26.465  41.931
   80    H4*    U   8           H4*        U   8 -12.415 -28.188  43.068
   81    H3*    U   8           H3*        U   8 -10.509 -26.455  44.719
   82    H2*    U   8           H2*        U   8 -11.263 -27.686  46.687
   83   2HO*    U   8          2HO*        U   8 -13.048 -28.870  46.752
   84    H1*    U   8           H1*        U   8 -11.464 -30.193  45.504
   85    H3     U   8           H3         U   8  -8.254 -30.731  48.597
   86    H5     U   8           H5         U   8  -6.307 -28.879  45.378
   87    H6     U   8           H6         U   8  -8.454 -28.588  44.334
   88   1H5*    G   9          1H5*        G   9 -14.539 -26.564  46.443
   89   2H5*    G   9          2H5*        G   9 -14.814 -24.949  47.096
   90    H4*    G   9           H4*        G   9 -15.352 -26.751  48.619
   91    H3*    G   9           H3*        G   9 -13.304 -24.682  49.508
   92    H2*    G   9           H2*        G   9 -13.118 -25.944  51.628
   93   2HO*    G   9          2HO*        G   9 -14.485 -27.451  52.233
   94    H1*    G   9           H1*        G   9 -12.958 -28.438  50.561
   95    H8     G   9           H8         G   9 -11.058 -26.182  48.140
   96    H1     G   9           H1         G   9  -7.717 -28.142  53.249
   97   1H2     G   9          1H2         G   9  -9.076 -29.147  54.745
   98   2H2     G   9          2H2         G   9 -10.752 -29.287  54.406
   99   1H5*    C  10          1H5*        C  10 -15.628 -25.053  52.890
  100   2H5*    C  10          2H5*        C  10 -16.011 -23.401  53.369
  101    H4*    C  10           H4*        C  10 -15.097 -24.574  55.173
  102    H3*    C  10           H3*        C  10 -13.270 -22.355  54.130
  103    H2*    C  10           H2*        C  10 -11.720 -22.972  55.958
  104   2HO*    C  10          2HO*        C  10 -12.255 -24.194  57.603
  105    H1*    C  10           H1*        C  10 -11.891 -25.685  55.657
  106   1H4     C  10          1H4         C  10  -6.820 -24.295  52.164
  107   2H4     C  10          2H4         C  10  -7.817 -23.919  50.799
  108    H5     C  10           H5         C  10 -10.239 -23.890  50.892
  109    H6     C  10           H6         C  10 -12.176 -24.228  52.361
  110   1H5*    U  11          1H5*        U  11 -13.183 -21.712  58.147
  111   2H5*    U  11          2H5*        U  11 -13.319 -19.971  58.393
  112    H4*    U  11           H4*        U  11 -11.397 -20.826  59.446
  113    H3*    U  11           H3*        U  11 -10.805 -18.935  57.119
  114    H2*    U  11           H2*        U  11  -8.410 -19.242  57.671
  115   2HO*    U  11          2HO*        U  11  -7.714 -20.100  59.478
  116    H1*    U  11           H1*        U  11  -8.482 -21.950  58.023
  117    H3     U  11           H3         U  11  -6.321 -21.687  54.133
  118    H5     U  11           H5         U  11 -10.326 -21.010  53.097
  119    H6     U  11           H6         U  11 -10.858 -20.982  55.442
  120   1H5*    G  12          1H5*        G  12  -8.391 -17.903  60.360
  121   2H5*    G  12          2H5*        G  12  -8.424 -16.145  60.501
  122    H4*    G  12           H4*        G  12  -6.221 -17.192  60.503
  123    H3*    G  12           H3*        G  12  -6.864 -14.965  58.556
  124    H2*    G  12           H2*        G  12  -4.888 -15.298  57.351
  125   2HO*    G  12          2HO*        G  12  -3.013 -15.883  58.251
  126    H1*    G  12           H1*        G  12  -4.287 -17.983  58.287
  127    H8     G  12           H8         G  12  -7.242 -18.169  56.006
  128    H1     G  12           H1         G  12  -1.643 -17.680  52.920
  129   1H2     G  12          1H2         G  12   0.001 -17.104  54.355
  130   2H2     G  12          2H2         G  12  -0.364 -16.868  56.013
  131   1H5*    A  13          1H5*        A  13  -3.486 -13.971  60.575
  132   2H5*    A  13          2H5*        A  13  -3.273 -12.297  61.087
  133    H4*    A  13           H4*        A  13  -1.468 -13.163  59.739
  134    H3*    A  13           H3*        A  13  -2.904 -10.669  58.946
  135    H2*    A  13           H2*        A  13  -2.335 -10.784  56.714
  136   2HO*    A  13          2HO*        A  13  -0.156 -11.475  56.167
  137    H1*    A  13           H1*        A  13  -0.931 -13.407  56.857
  138    H8     A  13           H8         A  13  -4.704 -12.968  56.153
  139   1H6     A  13          1H6         A  13  -3.196 -14.222  50.304
  140   2H6     A  13          2H6         A  13  -4.494 -13.936  51.411
  141    H2     A  13           H2         A  13   0.589 -13.912  52.694
  142   1H5*    A  14          1H5*        A  14   1.962  -7.495  58.781
  143   2H5*    A  14          2H5*        A  14   0.545  -7.652  57.742
  144    H4*    A  14           H4*        A  14   3.094  -9.195  57.610
  145    H3*    A  14           H3*        A  14   3.009  -6.756  56.499
  146    H2*    A  14           H2*        A  14   0.899  -7.027  55.230
  147   2HO*    A  14          2HO*        A  14   2.266  -6.350  53.754
  148    H1*    A  14           H1*        A  14   1.928  -9.698  54.231
  149    H8     A  14           H8         A  14  -1.267  -8.735  56.245
  150   1H6     A  14          1H6         A  14  -4.296 -10.917  51.334
  151   2H6     A  14          2H6         A  14  -4.449 -10.248  52.922
  152    H2     A  14           H2         A  14   0.105 -11.134  50.481
  153   1H5*    G  15          1H5*        G  15   6.082  -6.315  52.249
  154   2H5*    G  15          2H5*        G  15   4.368  -6.465  52.638
  155    H4*    G  15           H4*        G  15   5.967  -8.668  51.487
  156    H3*    G  15           H3*        G  15   4.688  -6.426  49.848
  157    H2*    G  15           H2*        G  15   3.975  -8.102  48.249
  158   2HO*    G  15          2HO*        G  15   4.867 -10.014  48.034
  159    H1*    G  15           H1*        G  15   3.461 -10.173  50.065
  160    H8     G  15           H8         G  15   1.317  -7.935  51.805
  161    H1     G  15           H1         G  15  -0.808  -8.774  45.815
  162   1H2     G  15          1H2         G  15   0.811  -9.663  44.519
  163   2H2     G  15          2H2         G  15   2.347 -10.009  45.200
  164   1H5*    C  16          1H5*        C  16   7.947  -7.052  47.046
  165   2H5*    C  16          2H5*        C  16   8.460  -5.423  46.609
  166    H4*    C  16           H4*        C  16   7.653  -6.646  44.746
  167    H3*    C  16           H3*        C  16   6.014  -4.170  45.481
  168    H2*    C  16           H2*        C  16   4.602  -4.682  43.537
  169   2HO*    C  16          2HO*        C  16   5.172  -5.957  41.956
  170    H1*    C  16           H1*        C  16   4.514  -7.421  43.869
  171   1H4     C  16          1H4         C  16  -0.940  -5.516  46.427
  172   2H4     C  16          2H4         C  16  -0.160  -5.208  47.941
  173    H5     C  16           H5         C  16   2.236  -5.393  48.261
  174    H6     C  16           H6         C  16   4.357  -5.921  47.144
  175   1H5*    G  17          1H5*        G  17   6.817  -3.809  41.268
  176   2H5*    G  17          2H5*        G  17   7.033  -2.077  41.012
  177    H4*    G  17           H4*        G  17   5.380  -3.054  39.588
  178    H3*    G  17           H3*        G  17   4.402  -0.868  41.489
  179    H2*    G  17           H2*        G  17   2.182  -1.147  40.455
  180   2HO*    G  17          2HO*        G  17   1.844  -2.135  38.616
  181    H1*    G  17           H1*        G  17   2.189  -3.893  40.335
  182    H8     G  17           H8         G  17   3.657  -2.797  43.706
  183    H1     G  17           H1         G  17  -2.737  -3.212  43.479
  184   1H2     G  17          1H2         G  17  -3.432  -3.537  41.357
  185   2H2     G  17          2H2         G  17  -2.278  -3.637  40.092
  186   1H5*    C  18          1H5*        C  18   3.007   0.117  37.505
  187   2H5*    C  18          2H5*        C  18   3.073   1.878  37.433
  188    H4*    C  18           H4*        C  18   0.945   0.980  36.816
  189    H3*    C  18           H3*        C  18   0.975   2.831  39.248
  190    H2*    C  18           H2*        C  18  -1.476   2.532  39.331
  191   2HO*    C  18          2HO*        C  18  -2.630   1.817  37.741
  192    H1*    C  18           H1*        C  18  -1.514  -0.171  38.873
  193   1H4     C  18          1H4         C  18  -1.690  -0.020  45.171
  194   2H4     C  18          2H4         C  18   0.003   0.331  45.266
  195    H5     C  18           H5         C  18   1.390   0.711  43.315
  196    H6     C  18           H6         C  18   1.386   0.822  40.864
  197   1H5*    G  19          1H5*        G  19  -1.953   5.032  36.612
  198   2H5*    G  19          2H5*        G  19  -1.943   6.595  37.428
  199    H4*    G  19           H4*        G  19  -4.047   5.170  37.333
  200    H3*    G  19           H3*        G  19  -3.155   6.715  39.815
  201    H2*    G  19           H2*        G  19  -5.175   5.806  40.924
  202   2HO*    G  19          2HO*        G  19  -6.784   4.903  39.895
  203    H1*    G  19           H1*        G  19  -4.937   3.236  40.024
  204    H8     G  19           H8         G  19  -1.345   4.024  40.719
  205    H1     G  19           H1         G  19  -4.833   3.001  46.002
  206   1H2     G  19          1H2         G  19  -7.034   3.002  45.506
  207   2H2     G  19          2H2         G  19  -7.539   3.253  43.887
  208   1H5*    C  20          1H5*        C  20  -6.674   8.904  39.576
  209   2H5*    C  20          2H5*        C  20  -6.177  10.569  39.881
  210    H4*    C  20           H4*        C  20  -7.689   9.674  41.521
  211    H3*    C  20           H3*        C  20  -4.957  10.609  42.525
  212    H2*    C  20           H2*        C  20  -5.729  10.015  44.786
  213   2HO*    C  20          2HO*        C  20  -7.682  10.730  44.917
  214    H1*    C  20           H1*        C  20  -6.983   7.655  44.124
  215   1H4     C  20          1H4         C  20  -1.420   5.438  46.064
  216   2H4     C  20          2H4         C  20  -0.598   6.103  44.693
  217    H5     C  20           H5         C  20  -1.703   7.449  43.008
  218    H6     C  20           H6         C  20  -3.855   8.418  42.333
  219   1H5*    A  21          1H5*        A  21  -6.427  14.788  45.407
  220   2H5*    A  21          2H5*        A  21  -4.851  14.023  45.604
  221    H4*    A  21           H4*        A  21  -7.270  13.923  47.247
  222    H3*    A  21           H3*        A  21  -4.318  14.157  47.880
  223    H2*    A  21           H2*        A  21  -4.744  12.945  49.977
  224   2HO*    A  21          2HO*        A  21  -6.684  12.603  50.785
  225    H1*    A  21           H1*        A  21  -6.299  10.947  49.018
  226    H8     A  21           H8         A  21  -4.218  10.924  46.051
  227   1H6     A  21          1H6         A  21   0.329   8.410  49.376
  228   2H6     A  21          2H6         A  21  -0.247   8.759  47.782
  229    H2     A  21           H2         A  21  -2.769   9.998  52.208
  230   1H5*    C  22          1H5*        C  22  -5.658  14.884  51.533
  231   2H5*    C  22          2H5*        C  22  -5.267  16.583  51.799
  232    H4*    C  22           H4*        C  22  -4.639  15.243  53.657
  233    H3*    C  22           H3*        C  22  -2.367  16.630  52.197
  234    H2*    C  22           H2*        C  22  -0.814  15.547  53.783
  235   2HO*    C  22          2HO*        C  22  -1.411  14.628  55.586
  236    H1*    C  22           H1*        C  22  -1.842  13.042  53.697
  237   1H4     C  22          1H4         C  22   2.493  13.155  49.059
  238   2H4     C  22          2H4         C  22   1.205  13.200  47.902
  239    H5     C  22           H5         C  22  -1.124  13.469  48.519
  240    H6     C  22           H6         C  22  -2.658  13.749  50.413
  241   1H5*    G  23          1H5*        G  23  -1.647  17.245  56.138
  242   2H5*    G  23          2H5*        G  23  -1.374  18.963  56.427
  243    H4*    G  23           H4*        G  23   0.283  17.505  57.399
  244    H3*    G  23           H3*        G  23   1.260  19.608  55.406
  245    H2*    G  23           H2*        G  23   3.541  18.774  55.860
  246   2HO*    G  23          2HO*        G  23   4.060  17.593  57.517
  247    H1*    G  23           H1*        G  23   2.951  16.098  55.814
  248    H8     G  23           H8         G  23   0.885  16.907  52.911
  249    H1     G  23           H1         G  23   7.129  17.725  51.708
  250   1H2     G  23          1H2         G  23   8.308  17.754  53.633
  251   2H2     G  23          2H2         G  23   7.491  17.567  55.130
  252   1H5*    G  24          1H5*        G  24   3.597  20.787  58.549
  253   2H5*    G  24          2H5*        G  24   3.624  22.550  58.555
  254    H4*    G  24           H4*        G  24   5.785  21.529  58.284
  255    H3*    G  24           H3*        G  24   4.839  23.388  56.049
  256    H2*    G  24           H2*        G  24   7.022  22.972  54.969
  257   2HO*    G  24          2HO*        G  24   8.694  22.174  55.955
  258    H1*    G  24           H1*        G  24   7.122  20.269  55.417
  259    H8     G  24           H8         G  24   3.522  20.645  54.490
  260    H1     G  24           H1         G  24   7.519  21.128  49.500
  261   1H2     G  24          1H2         G  24   9.647  21.361  50.213
  262   2H2     G  24          2H2         G  24   9.980  21.385  51.895
  263   1H5*    C  25          1H5*        C  25   8.753  24.899  56.856
  264   2H5*    C  25          2H5*        C  25   8.488  26.641  56.895
  265    H4*    C  25           H4*        C  25  10.241  25.999  55.414
  266    H3*    C  25           H3*        C  25   7.845  27.385  54.116
  267    H2*    C  25           H2*        C  25   9.081  27.219  51.984
  268   2HO*    C  25          2HO*        C  25  11.146  26.797  51.840
  269    H1*    C  25           H1*        C  25   9.979  24.649  52.301
  270   1H4     C  25          1H4         C  25   4.729  23.857  48.876
  271   2H4     C  25          2H4         C  25   3.763  23.812  50.311
  272    H5     C  25           H5         C  25   4.656  24.223  52.527
  273    H6     C  25           H6         C  25   6.696  24.765  53.778
  274   1H5*    A  26          1H5*        A  26  11.423  29.277  52.602
  275   2H5*    A  26          2H5*        A  26  10.999  30.989  52.573
  276    H4*    A  26           H4*        A  26  11.890  30.196  50.501
  277    H3*    A  26           H3*        A  26   9.038  31.292  50.415
  278    H2*    A  26           H2*        A  26   9.103  30.860  47.978
  279   2HO*    A  26          2HO*        A  26  10.891  30.405  46.902
  280    H1*    A  26           H1*        A  26  10.248  28.381  48.096
  281    H8     A  26           H8         A  26   7.782  28.659  51.001
  282   1H6     A  26          1H6         A  26   3.545  26.604  47.015
  283   2H6     A  26          2H6         A  26   3.879  26.991  48.669
  284    H2     A  26           H2         A  26   7.318  27.456  44.740
  285   1H5*    A  27          1H5*        A  27  11.314  33.158  47.261
  286   2H5*    A  27          2H5*        A  27  10.518  34.695  46.923
  287    H4*    A  27           H4*        A  27  10.757  32.988  45.103
  288    H3*    A  27           H3*        A  27   8.127  34.466  45.611
  289    H2*    A  27           H2*        A  27   7.194  33.200  43.724
  290   2HO*    A  27          2HO*        A  27   8.321  32.405  42.200
  291    H1*    A  27           H1*        A  27   8.383  30.774  44.297
  292    H8     A  27           H8         A  27   7.167  31.958  47.646
  293   1H6     A  27          1H6         A  27   1.616  29.792  46.044
  294   2H6     A  27          2H6         A  27   2.585  30.415  47.335
  295    H2     A  27           H2         A  27   4.241  29.760  42.405
  296   1H5*    G  28          1H5*        G  28   7.478  36.661  40.936
  297   2H5*    G  28          2H5*        G  28   6.199  36.637  42.151
  298    H4*    G  28           H4*        G  28   6.694  34.904  39.830
  299    H3*    G  28           H3*        G  28   4.243  36.291  40.910
  300    H2*    G  28           H2*        G  28   2.896  34.385  40.188
  301   2HO*    G  28          2HO*        G  28   3.767  34.004  38.255
  302    H1*    G  28           H1*        G  28   4.424  32.335  41.072
  303    H8     G  28           H8         G  28   5.263  34.296  43.989
  304    H1     G  28           H1         G  28  -0.979  32.838  43.841
  305   1H2     G  28          1H2         G  28  -1.577  32.138  41.781
  306   2H2     G  28          2H2         G  28  -0.399  32.063  40.536
  307   1H5*    A  29          1H5*        A  29   3.160  37.563  36.747
  308   2H5*    A  29          2H5*        A  29   2.719  39.226  37.132
  309    H4*    A  29           H4*        A  29   0.928  37.737  36.345
  310    H3*    A  29           H3*        A  29   0.563  39.306  38.944
  311    H2*    A  29           H2*        A  29  -1.672  38.304  39.092
  312   2HO*    A  29          2HO*        A  29  -1.279  37.347  36.486
  313    H1*    A  29           H1*        A  29  -0.985  35.765  38.247
  314    H8     A  29           H8         A  29   1.786  35.990  40.540
  315   1H6     A  29          1H6         A  29  -2.142  35.641  45.285
  316   2H6     A  29          2H6         A  29  -0.487  35.532  44.793
  317    H2     A  29           H2         A  29  -4.498  36.547  41.575
  318   1H5*    G  30          1H5*        G  30  -2.466  40.265  37.163
  319   2H5*    G  30          2H5*        G  30  -2.624  41.895  36.509
  320    H4*    G  30           H4*        G  30  -4.162  42.521  37.984
  321    H3*    G  30           H3*        G  30  -2.615  41.673  40.076
  322    H2*    G  30           H2*        G  30  -3.291  39.329  40.083
  323   2HO*    G  30          2HO*        G  30  -4.869  39.069  41.586
  324    H1*    G  30           H1*        G  30  -6.148  40.197  39.483
  325    H8     G  30           H8         G  30  -4.200  37.984  37.048
  326    H1     G  30           H1         G  30  -8.299  34.924  40.912
  327   1H2     G  30          1H2         G  30  -9.088  36.326  42.495
  328   2H2     G  30          2H2         G  30  -8.563  37.958  42.520
  329   1H5*    G  31          1H5*        G  31  -5.868  44.705  43.408
  330   2H5*    G  31          2H5*        G  31  -4.568  43.523  43.265
  331    H4*    G  31           H4*        G  31  -6.488  42.796  41.402
  332    H3*    G  31           H3*        G  31  -7.960  44.126  43.461
  333    H2*    G  31           H2*        G  31  -8.081  42.321  44.982
  334   2HO*    G  31          2HO*        G  31  -9.569  41.200  42.886
  335    H1*    G  31           H1*        G  31  -7.606  40.300  42.746
  336    H8     G  31           H8         G  31  -4.854  40.624  45.279
  337    H1     G  31           H1         G  31  -9.200  36.105  46.619
  338   1H2     G  31          1H2         G  31 -11.002  36.320  45.277
  339   2H2     G  31          2H2         G  31 -11.044  37.575  44.108
  340   1H5*    C  32          1H5*        C  32 -12.234  43.319  40.980
  341   2H5*    C  32          2H5*        C  32 -12.801  44.684  41.943
  342    H4*    C  32           H4*        C  32 -13.952  42.421  42.056
  343    H3*    C  32           H3*        C  32 -13.413  44.172  44.505
  344    H2*    C  32           H2*        C  32 -14.487  42.396  45.840
  345   2HO*    C  32          2HO*        C  32 -15.718  40.898  45.042
  346    H1*    C  32           H1*        C  32 -13.311  40.254  44.591
  347   1H4     C  32          1H4         C  32  -9.411  40.982  49.481
  348   2H4     C  32          2H4         C  32  -8.734  42.428  48.811
  349    H5     C  32           H5         C  32  -9.525  43.433  46.752
  350    H6     C  32           H6         C  32 -11.154  43.212  44.930
  351   1H5*    G  33          1H5*        G  33 -17.522  43.078  45.111
  352   2H5*    G  33          2H5*        G  33 -18.169  44.505  45.921
  353    H4*    G  33           H4*        G  33 -18.358  42.427  47.160
  354    H3*    G  33           H3*        G  33 -16.894  44.764  48.481
  355    H2*    G  33           H2*        G  33 -16.628  43.302  50.453
  356   2HO*    G  33          2HO*        G  33 -17.722  41.516  50.762
  357    H1*    G  33           H1*        G  33 -15.956  41.010  49.102
  358    H8     G  33           H8         G  33 -14.088  43.764  47.284
  359    H1     G  33           H1         G  33 -11.323  41.793  52.722
  360   1H2     G  33          1H2         G  33 -12.728  40.465  53.886
  361   2H2     G  33          2H2         G  33 -14.288  40.126  53.260
  362   1H5*    U  34          1H5*        U  34 -19.805  43.112  51.301
  363   2H5*    U  34          2H5*        U  34 -20.419  44.538  52.137
  364    H4*    U  34           H4*        U  34 -19.687  42.793  53.611
  365    H3*    U  34           H3*        U  34 -18.251  45.482  53.853
  366    H2*    U  34           H2*        U  34 -16.966  44.465  55.706
  367   2HO*    U  34          2HO*        U  34 -17.502  42.646  56.662
  368    H1*    U  34           H1*        U  34 -16.471  42.056  54.506
  369    H3     U  34           H3         U  34 -12.404  43.865  54.342
  370    H5     U  34           H5         U  34 -14.495  45.853  51.300
  371    H6     U  34           H6         U  34 -16.495  44.740  52.039
  372   1H5*    C  35          1H5*        C  35 -18.940  44.518  57.886
  373   2H5*    C  35          2H5*        C  35 -19.763  45.966  58.466
  374    H4*    C  35           H4*        C  35 -18.044  45.490  59.920
  375    H3*    C  35           H3*        C  35 -17.378  47.937  58.208
  376    H2*    C  35           H2*        C  35 -15.282  48.098  59.462
  377   2HO*    C  35          2HO*        C  35 -14.923  47.119  61.325
  378    H1*    C  35           H1*        C  35 -14.745  45.382  59.626
  379   1H4     C  35          1H4         C  35 -10.972  47.237  54.918
  380   2H4     C  35          2H4         C  35 -12.286  47.194  53.791
  381    H5     C  35           H5         C  35 -14.576  46.733  54.439
  382    H6     C  35           H6         C  35 -16.038  46.220  56.342
  383    H3T    C  35           H3T        C  35 -17.566  48.456  60.675
  384   1H5*    G  36          1H5*        G  36  -0.584  47.718  57.996
  385   2H5*    G  36          2H5*        G  36  -1.840  48.410  56.941
  386    H4*    G  36           H4*        G  36  -1.997  47.940  59.885
  387    H3*    G  36           H3*        G  36  -3.132  46.240  57.623
  388    H2*    G  36           H2*        G  36  -5.112  45.873  59.061
  389   2HO*    G  36          2HO*        G  36  -5.178  46.363  61.135
  390    H1*    G  36           H1*        G  36  -5.443  48.447  59.884
  391    H8     G  36           H8         G  36  -4.338  48.730  56.253
  392    H1     G  36           H1         G  36 -10.567  47.469  57.101
  393   1H2     G  36          1H2         G  36 -10.982  46.955  59.259
  394   2H2     G  36          2H2         G  36  -9.695  46.951  60.392
  395    H5T    G  36           H5T        G  36  -0.322  49.982  57.666
  396   1H5*    A  37          1H5*        A  37  -4.063  44.121  61.106
  397   2H5*    A  37          2H5*        A  37  -3.494  42.487  60.763
  398    H4*    A  37           H4*        A  37  -5.709  42.484  61.563
  399    H3*    A  37           H3*        A  37  -5.421  41.543  58.665
  400    H2*    A  37           H2*        A  37  -7.839  41.146  58.679
  401   2HO*    A  37          2HO*        A  37  -9.006  40.955  60.429
  402    H1*    A  37           H1*        A  37  -8.569  43.389  60.128
  403    H8     A  37           H8         A  37  -6.078  44.660  57.607
  404   1H6     A  37          1H6         A  37 -10.756  44.872  53.591
  405   2H6     A  37          2H6         A  37  -9.113  45.321  53.889
  406    H2     A  37           H2         A  37 -12.138  42.658  57.242
  407   1H5*    C  38          1H5*        C  38  -7.802  38.644  60.320
  408   2H5*    C  38          2H5*        C  38  -7.160  37.096  59.768
  409    H4*    C  38           H4*        C  38  -9.480  37.354  59.319
  410    H3*    C  38           H3*        C  38  -7.680  37.054  56.867
  411    H2*    C  38           H2*        C  38  -9.655  37.211  55.481
  412   2HO*    C  38          2HO*        C  38 -11.602  36.738  56.118
  413    H1*    C  38           H1*        C  38 -11.098  39.024  57.064
  414   1H4     C  38          1H4         C  38  -9.204  42.439  52.082
  415   2H4     C  38          2H4         C  38  -7.719  42.817  52.888
  416    H5     C  38           H5         C  38  -7.076  41.847  55.013
  417    H6     C  38           H6         C  38  -7.774  40.297  56.783
  418   1H5*    G  39          1H5*        G  39 -10.415  33.481  56.340
  419   2H5*    G  39          2H5*        G  39  -9.221  32.314  55.772
  420    H4*    G  39           H4*        G  39 -11.147  32.514  54.354
  421    H3*    G  39           H3*        G  39  -8.438  33.167  53.094
  422    H2*    G  39           H2*        G  39  -9.654  33.536  50.985
  423   2HO*    G  39          2HO*        G  39 -11.028  31.992  50.816
  424    H1*    G  39           H1*        G  39 -11.805  34.885  52.048
  425    H8     G  39           H8         G  39  -8.618  36.164  53.742
  426    H1     G  39           H1         G  39 -10.054  38.928  48.138
  427   1H2     G  39          1H2         G  39 -11.744  37.828  47.125
  428   2H2     G  39          2H2         G  39 -12.441  36.458  47.887
  429   1H5*    G  40          1H5*        G  40  -8.821  28.615  49.587
  430   2H5*    G  40          2H5*        G  40  -7.478  29.749  49.727
  431    H4*    G  40           H4*        G  40 -10.024  30.010  48.212
  432    H3*    G  40           H3*        G  40  -7.155  29.744  47.258
  433    H2*    G  40           H2*        G  40  -7.704  31.335  45.453
  434   2HO*    G  40          2HO*        G  40  -9.649  31.825  44.863
  435    H1*    G  40           H1*        G  40  -9.021  33.183  46.933
  436    H8     G  40           H8         G  40  -6.430  32.172  49.434
  437    H1     G  40           H1         G  40  -4.182  35.910  44.734
  438   1H2     G  40          1H2         G  40  -5.690  36.069  43.063
  439   2H2     G  40          2H2         G  40  -7.186  35.241  43.189
  440   1H5*    C  41          1H5*        C  41  -8.900  29.096  43.547
  441   2H5*    C  41          2H5*        C  41  -8.014  27.703  42.924
  442    H4*    C  41           H4*        C  41  -7.916  29.666  41.522
  443    H3*    C  41           H3*        C  41  -5.272  28.513  42.525
  444    H2*    C  41           H2*        C  41  -4.159  30.296  41.216
  445   2HO*    C  41          2HO*        C  41  -5.225  31.569  39.814
  446    H1*    C  41           H1*        C  41  -5.796  32.349  41.962
  447   1H4     C  41          1H4         C  41  -1.126  32.759  46.195
  448   2H4     C  41          2H4         C  41  -1.923  31.623  47.231
  449    H5     C  41           H5         C  41  -3.951  30.451  46.604
  450    H6     C  41           H6         C  41  -5.609  30.162  44.819
  451   1H5*    U  42          1H5*        U  42  -4.374  27.647  38.542
  452   2H5*    U  42          2H5*        U  42  -4.020  25.920  38.508
  453    H4*    U  42           H4*        U  42  -2.221  27.194  37.674
  454    H3*    U  42           H3*        U  42  -1.607  25.691  40.267
  455    H2*    U  42           H2*        U  42   0.674  26.579  40.099
  456   2HO*    U  42          2HO*        U  42   1.501  27.418  38.325
  457    H1*    U  42           H1*        U  42   0.009  29.122  39.246
  458    H3     U  42           H3         U  42   1.615  30.086  43.283
  459    H5     U  42           H5         U  42  -2.086  28.294  44.105
  460    H6     U  42           H6         U  42  -2.294  27.804  41.759
  461   1H5*    U  43          1H5*        U  43   1.470  24.861  37.390
  462   2H5*    U  43          2H5*        U  43   2.006  23.207  37.685
  463    H4*    U  43           H4*        U  43   3.741  24.918  37.653
  464    H3*    U  43           H3*        U  43   3.504  23.107  40.105
  465    H2*    U  43           H2*        U  43   5.420  24.290  41.040
  466   2HO*    U  43          2HO*        U  43   6.766  25.498  39.886
  467    H1*    U  43           H1*        U  43   4.774  26.835  40.118
  468    H3     U  43           H3         U  43   4.644  27.240  44.590
  469    H5     U  43           H5         U  43   0.968  25.489  43.584
  470    H6     U  43           H6         U  43   1.777  25.247  41.332
  471   1H5*    G  44          1H5*        G  44   7.601  23.221  38.537
  472   2H5*    G  44          2H5*        G  44   8.234  21.591  38.764
  473    H4*    G  44           H4*        G  44   9.703  23.350  39.536
  474    H3*    G  44           H3*        G  44   8.827  21.232  41.538
  475    H2*    G  44           H2*        G  44  10.181  22.429  43.226
  476   2HO*    G  44          2HO*        G  44  11.600  23.937  42.755
  477    H1*    G  44           H1*        G  44   9.353  24.951  42.649
  478    H8     G  44           H8         G  44   6.272  22.759  42.154
  479    H1     G  44           H1         G  44   7.457  24.476  48.217
  480   1H2     G  44          1H2         G  44   9.491  25.440  48.381
  481   2H2     G  44          2H2         G  44  10.462  25.617  46.979
  482   1H5*    C  45          1H5*        C  45  12.844  21.552  42.373
  483   2H5*    C  45          2H5*        C  45  13.444  19.893  42.386
  484    H4*    C  45           H4*        C  45  14.054  20.982  44.361
  485    H3*    C  45           H3*        C  45  11.990  18.769  44.802
  486    H2*    C  45           H2*        C  45  12.159  19.292  47.215
  487   2HO*    C  45          2HO*        C  45  13.706  20.462  48.067
  488    H1*    C  45           H1*        C  45  12.115  22.018  46.983
  489   1H4     C  45          1H4         C  45   6.026  20.680  47.982
  490   2H4     C  45          2H4         C  45   5.780  20.370  46.297
  491    H5     C  45           H5         C  45   7.576  20.375  44.670
  492    H6     C  45           H6         C  45   9.992  20.687  44.376
  493   1H5*    U  46          1H5*        U  46  14.706  17.963  47.723
  494   2H5*    U  46          2H5*        U  46  14.934  16.214  47.739
  495    H4*    U  46           H4*        U  46  14.286  17.023  49.858
  496    H3*    U  46           H3*        U  46  12.237  15.185  48.525
  497    H2*    U  46           H2*        U  46  10.884  15.440  50.578
  498   2HO*    U  46          2HO*        U  46  11.630  16.219  52.401
  499    H1*    U  46           H1*        U  46  11.229  18.139  50.890
  500    H3     U  46           H3         U  46   6.956  17.983  49.622
  501    H5     U  46           H5         U  46   9.080  17.415  46.052
  502    H6     U  46           H6         U  46  11.102  17.308  47.351
  503   1H5*    G  47          1H5*        G  47  12.734  14.023  52.518
  504   2H5*    G  47          2H5*        G  47  12.848  12.263  52.529
  505    H4*    G  47           H4*        G  47  11.273  13.243  54.103
  506    H3*    G  47           H3*        G  47  10.347  11.122  52.148
  507    H2*    G  47           H2*        G  47   8.096  11.447  52.708
  508   2HO*    G  47          2HO*        G  47   7.408  11.960  54.687
  509    H1*    G  47           H1*        G  47   8.343  14.086  53.886
  510    H8     G  47           H8         G  47   8.897  14.413  50.207
  511    H1     G  47           H1         G  47   2.718  13.889  51.832
  512   1H2     G  47          1H2         G  47   2.520  13.227  53.981
  513   2H2     G  47          2H2         G  47   3.930  12.947  54.916
  514   1H5*    A  48          1H5*        A  48   9.299   9.970  55.892
  515   2H5*    A  48          2H5*        A  48   9.479   8.269  56.321
  516    H4*    A  48           H4*        A  48   7.259   9.169  56.663
  517    H3*    A  48           H3*        A  48   7.691   6.727  55.000
  518    H2*    A  48           H2*        A  48   5.728   6.920  53.804
  519   2HO*    A  48          2HO*        A  48   3.796   7.593  54.958
  520    H1*    A  48           H1*        A  48   4.865   9.513  54.990
  521    H8     A  48           H8         A  48   7.064   9.169  51.833
  522   1H6     A  48          1H6         A  48   1.913  10.609  48.758
  523   2H6     A  48          2H6         A  48   3.611  10.308  48.632
  524    H2     A  48           H2         A  48   0.872  10.138  53.098
  525   1H5*    A  49          1H5*        A  49   4.066   3.478  58.179
  526   2H5*    A  49          2H5*        A  49   4.346   3.704  56.453
  527    H4*    A  49           H4*        A  49   2.471   5.215  58.211
  528    H3*    A  49           H3*        A  49   1.704   2.820  57.278
  529    H2*    A  49           H2*        A  49   2.314   3.165  54.901
  530   2HO*    A  49          2HO*        A  49   0.282   2.529  54.811
  531    H1*    A  49           H1*        A  49   0.929   5.860  55.012
  532    H8     A  49           H8         A  49   4.598   4.860  54.158
  533   1H6     A  49          1H6         A  49   3.332   7.259  48.617
  534   2H6     A  49          2H6         A  49   4.546   6.534  49.613
  535    H2     A  49           H2         A  49  -0.390   7.454  51.117
  536   1H5*    G  50          1H5*        G  50  -3.455   2.430  56.487
  537   2H5*    G  50          2H5*        G  50  -1.991   2.615  55.522
  538    H4*    G  50           H4*        G  50  -3.977   4.769  55.923
  539    H3*    G  50           H3*        G  50  -4.166   2.593  53.783
  540    H2*    G  50           H2*        G  50  -4.849   4.309  52.209
  541   2HO*    G  50          2HO*        G  50  -5.682   6.179  52.759
  542    H1*    G  50           H1*        G  50  -3.254   6.387  53.192
  543    H8     G  50           H8         G  50  -0.471   4.178  52.840
  544    H1     G  50           H1         G  50  -3.170   5.261  47.127
  545   1H2     G  50          1H2         G  50  -5.236   6.131  47.382
  546   2H2     G  50          2H2         G  50  -5.853   6.405  48.959
  547   1H5*    C  51          1H5*        C  51  -8.438   3.280  53.994
  548   2H5*    C  51          2H5*        C  51  -9.136   1.661  53.956
  549    H4*    C  51           H4*        C  51  -9.850   3.002  52.134
  550    H3*    C  51           H3*        C  51  -8.218   0.531  51.371
  551    H2*    C  51           H2*        C  51  -8.571   1.175  49.027
  552   2HO*    C  51          2HO*        C  51 -10.061   2.519  48.375
  553    H1*    C  51           H1*        C  51  -8.220   3.894  49.346
  554   1H4     C  51          1H4         C  51  -2.583   1.972  47.229
  555   2H4     C  51          2H4         C  51  -2.078   1.581  48.838
  556    H5     C  51           H5         C  51  -3.551   1.707  50.760
  557    H6     C  51           H6         C  51  -5.832   2.246  51.483
  558   1H5*    G  52          1H5*        G  52 -11.720   0.397  48.904
  559   2H5*    G  52          2H5*        G  52 -12.119  -1.317  48.798
  560    H4*    G  52           H4*        G  52 -11.900  -0.277  46.666
  561    H3*    G  52           H3*        G  52  -9.917  -2.527  47.257
  562    H2*    G  52           H2*        G  52  -9.049  -2.180  44.975
  563   2HO*    G  52          2HO*        G  52 -10.072  -1.112  43.466
  564    H1*    G  52           H1*        G  52  -9.070   0.567  45.004
  565    H8     G  52           H8         G  52  -7.807  -0.702  48.398
  566    H1     G  52           H1         G  52  -3.361  -0.185  43.807
  567   1H2     G  52          1H2         G  52  -4.330   0.248  41.816
  568   2H2     G  52          2H2         G  52  -6.036   0.392  41.715
  569   1H5*    C  53          1H5*        C  53 -11.691  -3.313  43.406
  570   2H5*    C  53          2H5*        C  53 -11.847  -5.068  43.324
  571    H4*    C  53           H4*        C  53 -10.713  -4.136  41.443
  572    H3*    C  53           H3*        C  53  -9.095  -6.091  43.148
  573    H2*    C  53           H2*        C  53  -7.265  -5.780  41.520
  574   2HO*    C  53          2HO*        C  53  -7.517  -4.993  39.599
  575    H1*    C  53           H1*        C  53  -7.492  -3.060  41.252
  576   1H4     C  53          1H4         C  53  -2.986  -3.461  45.640
  577   2H4     C  53          2H4         C  53  -4.142  -3.832  46.873
  578    H5     C  53           H5         C  53  -6.503  -4.146  46.428
  579    H6     C  53           H6         C  53  -8.210  -4.157  44.664
  580   1H5*    G  54          1H5*        G  54  -8.892  -8.202  39.163
  581   2H5*    G  54          2H5*        G  54  -8.346  -9.786  39.714
  582    H4*    G  54           H4*        G  54  -6.892  -8.320  38.219
  583    H3*    G  54           H3*        G  54  -5.817  -9.971  40.557
  584    H2*    G  54           H2*        G  54  -3.586  -9.072  39.977
  585   2HO*    G  54          2HO*        G  54  -3.135  -8.114  38.149
  586    H1*    G  54           H1*        G  54  -4.350  -6.475  39.583
  587    H8     G  54           H8         G  54  -6.433  -7.332  42.571
  588    H1     G  54           H1         G  54  -0.228  -6.442  43.922
  589   1H2     G  54          1H2         G  54   0.994  -6.397  42.025
  590   2H2     G  54          2H2         G  54   0.214  -6.589  40.509
  591   1H5*    C  55          1H5*        C  55  -3.586 -12.045  37.813
  592   2H5*    C  55          2H5*        C  55  -3.697 -13.750  38.247
  593    H4*    C  55           H4*        C  55  -1.483 -12.869  38.411
  594    H3*    C  55           H3*        C  55  -2.705 -13.933  41.004
  595    H2*    C  55           H2*        C  55  -0.564 -13.390  42.087
  596   2HO*    C  55          2HO*        C  55   0.901 -14.058  40.753
  597    H1*    C  55           H1*        C  55  -0.136 -10.971  40.837
  598   1H4     C  55          1H4         C  55  -2.663  -8.985  46.250
  599   2H4     C  55          2H4         C  55  -4.217  -9.631  45.843
  600    H5     C  55           H5         C  55  -4.642 -10.890  43.816
  601    H6     C  55           H6         C  55  -3.610 -11.771  41.770
  602   1H5*    A  56          1H5*        A  56   0.248 -18.157  41.923
  603   2H5*    A  56          2H5*        A  56  -0.723 -17.375  43.171
  604    H4*    A  56           H4*        A  56   2.162 -17.330  42.651
  605    H3*    A  56           H3*        A  56   0.498 -17.635  45.162
  606    H2*    A  56           H2*        A  56   2.293 -16.501  46.403
  607   2HO*    A  56          2HO*        A  56   4.249 -16.166  45.634
  608    H1*    A  56           H1*        A  56   2.760 -14.443  44.708
  609    H8     A  56           H8         A  56  -0.803 -14.337  44.061
  610   1H6     A  56          1H6         A  56  -1.665 -12.027  49.716
  611   2H6     A  56          2H6         A  56  -2.380 -12.304  48.165
  612    H2     A  56           H2         A  56   2.504 -13.675  49.491
  613   1H5*    C  57          1H5*        C  57   4.097 -18.512  46.787
  614   2H5*    C  57          2H5*        C  57   3.917 -20.216  47.204
  615    H4*    C  57           H4*        C  57   4.848 -18.938  48.995
  616    H3*    C  57           H3*        C  57   2.185 -20.293  49.529
  617    H2*    C  57           H2*        C  57   2.227 -19.281  51.780
  618   2HO*    C  57          2HO*        C  57   3.940 -18.415  52.659
  619    H1*    C  57           H1*        C  57   2.938 -16.763  51.073
  620   1H4     C  57          1H4         C  57  -3.409 -16.760  50.852
  621   2H4     C  57          2H4         C  57  -3.313 -16.744  49.123
  622    H5     C  57           H5         C  57  -1.233 -17.004  47.905
  623    H6     C  57           H6         C  57   1.186 -17.336  48.151
  624   1H5*    G  58          1H5*        G  58   4.409 -21.051  52.817
  625   2H5*    G  58          2H5*        G  58   4.395 -22.784  53.148
  626    H4*    G  58           H4*        G  58   3.898 -21.390  55.053
  627    H3*    G  58           H3*        G  58   1.790 -23.445  54.226
  628    H2*    G  58           H2*        G  58   0.476 -22.672  56.170
  629   2HO*    G  58          2HO*        G  58   1.268 -21.553  57.763
  630    H1*    G  58           H1*        G  58   0.896 -19.985  55.831
  631    H8     G  58           H8         G  58   0.344 -20.670  52.279
  632    H1     G  58           H1         G  58  -4.984 -21.513  55.745
  633   1H2     G  58          1H2         G  58  -4.486 -21.618  57.944
  634   2H2     G  58          2H2         G  58  -2.854 -21.472  58.453
  635   1H5*    G  59          1H5*        G  59   2.278 -24.737  58.056
  636   2H5*    G  59          2H5*        G  59   2.253 -26.501  58.042
  637    H4*    G  59           H4*        G  59   0.518 -25.507  59.372
  638    H3*    G  59           H3*        G  59  -0.374 -27.288  57.052
  639    H2*    G  59           H2*        G  59  -2.688 -26.872  57.802
  640   2HO*    G  59          2HO*        G  59  -3.201 -26.136  59.699
  641    H1*    G  59           H1*        G  59  -2.422 -24.185  58.286
  642    H8     G  59           H8         G  59  -0.491 -24.480  55.100
  643    H1     G  59           H1         G  59  -6.841 -24.860  54.297
  644   1H2     G  59          1H2         G  59  -7.873 -25.146  56.284
  645   2H2     G  59          2H2         G  59  -6.939 -25.227  57.720
  646   1H5*    C  60          1H5*        C  60  -2.625 -28.902  60.329
  647   2H5*    C  60          2H5*        C  60  -2.432 -30.640  60.096
  648    H4*    C  60           H4*        C  60  -4.712 -29.966  60.299
  649    H3*    C  60           H3*        C  60  -3.932 -31.272  57.646
  650    H2*    C  60           H2*        C  60  -6.305 -31.046  56.999
  651   2HO*    C  60          2HO*        C  60  -7.872 -30.641  58.359
  652    H1*    C  60           H1*        C  60  -6.683 -28.499  57.936
  653   1H4     C  60          1H4         C  60  -5.301 -27.529  51.848
  654   2H4     C  60          2H4         C  60  -3.606 -27.519  52.202
  655    H5     C  60           H5         C  60  -2.707 -28.015  54.398
  656    H6     C  60           H6         C  60  -3.302 -28.624  56.699
  657   1H5*    A  61          1H5*        A  61  -7.587 -33.141  58.990
  658   2H5*    A  61          2H5*        A  61  -7.333 -34.845  58.614
  659    H4*    A  61           H4*        A  61  -9.400 -33.984  57.774
  660    H3*    A  61           H3*        A  61  -7.431 -35.046  55.692
  661    H2*    A  61           H2*        A  61  -9.166 -34.524  54.003
  662   2HO*    A  61          2HO*        A  61 -11.189 -34.032  54.497
  663    H1*    A  61           H1*        A  61  -9.857 -32.063  54.967
  664    H8     A  61           H8         A  61  -6.070 -32.434  55.328
  665   1H6     A  61          1H6         A  61  -5.752 -30.177  49.596
  666   2H6     A  61          2H6         A  61  -4.851 -30.635  50.999
  667    H2     A  61           H2         A  61 -10.063 -30.970  50.556
  668   1H5*    A  62          1H5*        A  62 -11.308 -36.797  54.951
  669   2H5*    A  62          2H5*        A  62 -11.008 -38.310  54.096
  670    H4*    A  62           H4*        A  62 -12.411 -36.533  53.023
  671    H3*    A  62           H3*        A  62 -10.200 -37.997  51.498
  672    H2*    A  62           H2*        A  62 -10.820 -36.642  49.546
  673   2HO*    A  62          2HO*        A  62 -12.673 -35.796  49.271
  674    H1*    A  62           H1*        A  62 -11.221 -34.256  50.877
  675    H8     A  62           H8         A  62  -8.043 -35.558  52.392
  676   1H6     A  62          1H6         A  62  -5.125 -33.287  47.454
  677   2H6     A  62          2H6         A  62  -4.936 -33.965  49.034
  678    H2     A  62           H2         A  62  -9.540 -33.140  46.667
  679   1H5*    G  63          1H5*        G  63 -12.982 -40.028  47.621
  680   2H5*    G  63          2H5*        G  63 -11.218 -40.022  47.614
  681    H4*    G  63           H4*        G  63 -13.164 -38.228  46.334
  682    H3*    G  63           H3*        G  63 -10.665 -39.616  45.372
  683    H2*    G  63           H2*        G  63 -10.175 -37.673  43.972
  684   2HO*    G  63          2HO*        G  63 -12.139 -37.247  43.196
  685    H1*    G  63           H1*        G  63 -10.640 -35.669  45.730
  686    H8     G  63           H8         G  63  -9.238 -37.724  48.352
  687    H1     G  63           H1         G  63  -4.836 -36.185  43.952
  688   1H2     G  63          1H2         G  63  -5.829 -35.420  42.076
  689   2H2     G  63          2H2         G  63  -7.540 -35.323  42.001
  690   1H5*    A  64          1H5*        A  64 -12.863 -40.712  41.661
  691   2H5*    A  64          2H5*        A  64 -12.356 -42.395  41.508
  692    H4*    A  64           H4*        A  64 -11.566 -40.854  39.785
  693    H3*    A  64           H3*        A  64  -9.522 -42.538  41.318
  694    H2*    A  64           H2*        A  64  -7.798 -41.508  39.910
  695   2HO*    A  64          2HO*        A  64  -9.880 -40.450  38.356
  696    H1*    A  64           H1*        A  64  -8.834 -38.944  39.885
  697    H8     A  64           H8         A  64  -9.205 -39.309  43.452
  698   1H6     A  64          1H6         A  64  -3.073 -39.086  44.089
  699   2H6     A  64          2H6         A  64  -4.596 -38.986  44.905
  700    H2     A  64           H2         A  64  -4.010 -39.798  39.758
  701   1H5*    G  65          1H5*        G  65  -8.575 -43.336  37.894
  702   2H5*    G  65          2H5*        G  65  -8.973 -44.926  37.243
  703    H4*    G  65           H4*        G  65  -6.863 -45.622  37.191
  704    H3*    G  65           H3*        G  65  -6.466 -44.897  39.796
  705    H2*    G  65           H2*        G  65  -5.940 -42.540  39.424
  706   2HO*    G  65          2HO*        G  65  -3.761 -42.318  39.416
  707    H1*    G  65           H1*        G  65  -4.330 -43.335  36.964
  708    H8     G  65           H8         G  65  -7.386 -41.060  36.660
  709    H1     G  65           H1         G  65  -1.710 -38.083  36.727
  710   1H2     G  65          1H2         G  65  -0.063 -39.531  37.261
  711   2H2     G  65          2H2         G  65  -0.448 -41.173  37.575
  712   1H5*    G  66          1H5*        G  66  -1.824 -47.940  39.858
  713   2H5*    G  66          2H5*        G  66  -2.855 -46.787  40.703
  714    H4*    G  66           H4*        G  66  -2.775 -45.939  38.074
  715    H3*    G  66           H3*        G  66  -0.300 -47.331  38.434
  716    H2*    G  66           H2*        G  66   0.890 -45.590  39.499
  717   2HO*    G  66          2HO*        G  66   0.475 -44.353  37.017
  718    H1*    G  66           H1*        G  66  -0.996 -43.485  38.350
  719    H8     G  66           H8         G  66  -1.155 -43.974  42.068
  720    H1     G  66           H1         G  66   2.936 -39.429  40.145
  721   1H2     G  66          1H2         G  66   3.258 -39.549  37.914
  722   2H2     G  66          2H2         G  66   2.442 -40.750  37.003
  723   1H5*    C  67          1H5*        C  67   1.038 -46.467  33.684
  724   2H5*    C  67          2H5*        C  67   2.092 -47.846  33.998
  725    H4*    C  67           H4*        C  67   3.019 -45.571  33.293
  726    H3*    C  67           H3*        C  67   4.325 -47.390  35.375
  727    H2*    C  67           H2*        C  67   6.055 -45.642  35.611
  728   2HO*    C  67          2HO*        C  67   6.390 -44.119  34.215
  729    H1*    C  67           H1*        C  67   4.369 -43.480  35.617
  730   1H4     C  67          1H4         C  67   4.987 -44.426  41.812
  731   2H4     C  67          2H4         C  67   4.012 -45.854  41.758
  732    H5     C  67           H5         C  67   3.123 -46.777  39.700
  733    H6     C  67           H6         C  67   3.017 -46.473  37.267
  734   1H5*    G  68          1H5*        G  68   7.780 -46.319  32.951
  735   2H5*    G  68          2H5*        G  68   8.753 -47.780  33.128
  736    H4*    G  68           H4*        G  68   9.756 -45.682  33.903
  737    H3*    G  68           H3*        G  68   9.617 -48.071  35.807
  738    H2*    G  68           H2*        G  68  10.789 -46.655  37.452
  739   2HO*    G  68          2HO*        G  68  11.800 -44.860  36.967
  740    H1*    G  68           H1*        G  68   9.377 -44.344  36.997
  741    H8     G  68           H8         G  68   6.739 -47.057  36.924
  742    H1     G  68           H1         G  68   8.597 -45.311  42.807
  743   1H2     G  68          1H2         G  68  10.439 -44.012  42.700
  744   2H2     G  68          2H2         G  68  11.123 -43.635  41.173
  745   1H5*    U  69          1H5*        U  69  13.661 -46.407  35.861
  746   2H5*    U  69          2H5*        U  69  14.691 -47.834  35.970
  747    H4*    U  69           H4*        U  69  15.212 -46.155  37.594
  748    H3*    U  69           H3*        U  69  14.339 -48.874  38.687
  749    H2*    U  69           H2*        U  69  14.732 -47.932  40.941
  750   2HO*    U  69          2HO*        U  69  15.801 -46.135  41.304
  751    H1*    U  69           H1*        U  69  13.553 -45.499  40.511
  752    H3     U  69           H3         U  69  10.521 -47.365  43.184
  753    H5     U  69           H5         U  69   9.878 -49.252  39.496
  754    H6     U  69           H6         U  69  11.829 -48.123  38.655
  755   1H5*    C  70          1H5*        C  70  17.713 -48.087  41.098
  756   2H5*    C  70          2H5*        C  70  18.652 -49.563  40.875
  757    H4*    C  70           H4*        C  70  18.442 -49.134  43.138
  758    H3*    C  70           H3*        C  70  16.778 -51.551  42.275
  759    H2*    C  70           H2*        C  70  16.094 -51.801  44.593
  760   2HO*    C  70          2HO*        C  70  17.134 -50.949  46.254
  761    H1*    C  70           H1*        C  70  15.940 -49.087  45.238
  762   1H4     C  70          1H4         C  70   9.883 -50.788  44.645
  763   2H4     C  70          2H4         C  70   9.964 -50.602  42.925
  764    H5     C  70           H5         C  70  12.018 -50.093  41.740
  765    H6     C  70           H6         C  70  14.417 -49.664  42.016
  766    H3T    C  70           H3T        C  70  18.618 -52.128  43.919
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   4.939 -48.400  55.038
    2   2H5*    G   1          2H5*        G   1   5.172 -49.149  53.439
    3    H4*    G   1           H4*        G   1   7.232 -48.715  55.561
    4    H3*    G   1           H3*        G   1   6.684 -47.052  53.071
    5    H2*    G   1           H2*        G   1   9.136 -46.825  52.821
    6   2HO*    G   1          2HO*        G   1  10.536 -47.353  54.344
    7    H1*    G   1           H1*        G   1   9.799 -49.421  53.258
    8    H8     G   1           H8         G   1   6.538 -49.713  51.361
    9    H1     G   1           H1         G   1  11.658 -48.482  47.703
   10   1H2     G   1          1H2         G   1  13.429 -47.929  48.986
   11   2H2     G   1          2H2         G   1  13.262 -47.893  50.693
   12    H5T    G   1           H5T        G   1   4.416 -50.643  55.020
   13   1H5*    A   2          1H5*        A   2   9.815 -45.067  55.036
   14   2H5*    A   2          2H5*        A   2   9.250 -43.399  55.128
   15    H4*    A   2           H4*        A   2  11.445 -43.528  54.277
   16    H3*    A   2           H3*        A   2   9.376 -42.483  52.283
   17    H2*    A   2           H2*        A   2  11.240 -42.195  50.698
   18   2HO*    A   2          2HO*        A   2  13.271 -42.147  51.256
   19    H1*    A   2           H1*        A   2  12.546 -44.552  51.255
   20    H8     A   2           H8         A   2   8.919 -45.556  51.164
   21   1H6     A   2          1H6         A   2   9.488 -45.813  45.027
   22   2H6     A   2          2H6         A   2   8.480 -46.188  46.383
   23    H2     A   2           H2         A   2  13.168 -43.864  46.698
   24   1H5*    C   3          1H5*        C   3  12.466 -39.742  52.018
   25   2H5*    C   3          2H5*        C   3  11.713 -38.147  51.972
   26    H4*    C   3           H4*        C   3  13.219 -38.538  50.167
   27    H3*    C   3           H3*        C   3  10.306 -38.020  49.397
   28    H2*    C   3           H2*        C   3  10.973 -38.225  47.069
   29   2HO*    C   3          2HO*        C   3  12.970 -38.002  46.369
   30    H1*    C   3           H1*        C   3  12.882 -40.236  47.396
   31   1H4     C   3          1H4         C   3   7.905 -43.217  44.868
   32   2H4     C   3          2H4         C   3   7.245 -43.491  46.444
   33    H5     C   3           H5         C   3   8.211 -42.568  48.467
   34    H6     C   3           H6         C   3  10.034 -41.181  49.345
   35   1H5*    G   4          1H5*        G   4  11.728 -34.270  47.379
   36   2H5*    G   4          2H5*        G   4  10.414 -33.239  47.945
   37    H4*    G   4           H4*        G   4  10.576 -33.285  45.583
   38    H3*    G   4           H3*        G   4   7.984 -34.433  46.730
   39    H2*    G   4           H2*        G   4   7.251 -34.828  44.444
   40   2HO*    G   4          2HO*        G   4   8.043 -33.835  42.745
   41    H1*    G   4           H1*        G   4   9.727 -35.542  43.371
   42    H8     G   4           H8         G   4   9.025 -37.457  46.621
   43    H1     G   4           H1         G   4   6.619 -40.086  41.291
   44   1H2     G   4          1H2         G   4   6.835 -38.670  39.547
   45   2H2     G   4          2H2         G   4   7.568 -37.139  39.783
   46   1H5*    G   5          1H5*        G   5   7.185 -31.457  43.700
   47   2H5*    G   5          2H5*        G   5   5.653 -30.678  44.094
   48    H4*    G   5           H4*        G   5   6.187 -31.947  41.837
   49    H3*    G   5           H3*        G   5   3.469 -31.487  43.137
   50    H2*    G   5           H2*        G   5   2.511 -32.904  41.347
   51   2HO*    G   5          2HO*        G   5   3.520 -33.401  39.572
   52    H1*    G   5           H1*        G   5   4.364 -34.893  41.430
   53    H8     G   5           H8         G   5   4.214 -34.310  45.080
   54    H1     G   5           H1         G   5  -1.095 -37.069  42.775
   55   1H2     G   5          1H2         G   5  -1.145 -36.926  40.523
   56   2H2     G   5          2H2         G   5   0.142 -36.153  39.694
   57   1H5*    C   6          1H5*        C   6   2.473 -30.873  39.273
   58   2H5*    C   6          2H5*        C   6   1.546 -29.374  39.228
   59    H4*    C   6           H4*        C   6   0.386 -31.205  38.245
   60    H3*    C   6           H3*        C   6  -0.937 -29.968  40.707
   61    H2*    C   6           H2*        C   6  -2.777 -31.588  40.348
   62   2HO*    C   6          2HO*        C   6  -2.968 -32.782  38.561
   63    H1*    C   6           H1*        C   6  -1.219 -33.777  39.855
   64   1H4     C   6          1H4         C   6  -2.263 -34.289  46.059
   65   2H4     C   6          2H4         C   6  -0.940 -33.227  46.408
   66    H5     C   6           H5         C   6   0.326 -32.076  44.690
   67    H6     C   6           H6         C   6   0.543 -31.741  42.269
   68   1H5*    U   7          1H5*        U   7  -4.244 -30.153  38.108
   69   2H5*    U   7          2H5*        U   7  -4.709 -28.454  38.028
   70    H4*    U   7           H4*        U   7  -6.610 -29.668  38.440
   71    H3*    U   7           H3*        U   7  -5.719 -28.194  40.966
   72    H2*    U   7           H2*        U   7  -7.716 -29.136  42.062
   73   2HO*    U   7          2HO*        U   7  -9.360 -29.962  41.022
   74    H1*    U   7           H1*        U   7  -7.540 -31.666  41.002
   75    H3     U   7           H3         U   7  -6.570 -32.425  45.297
   76    H5     U   7           H5         U   7  -3.028 -30.818  43.731
   77    H6     U   7           H6         U   7  -4.212 -30.380  41.682
   78   1H5*    U   8          1H5*        U   8  -9.807 -27.383  40.540
   79   2H5*    U   8          2H5*        U   8 -10.058 -25.717  41.059
   80    H4*    U   8           H4*        U   8 -11.422 -27.371  42.181
   81    H3*    U   8           H3*        U   8  -9.632 -25.584  43.899
   82    H2*    U   8           H2*        U   8 -10.492 -26.736  45.854
   83   2HO*    U   8          2HO*        U   8 -12.315 -27.870  45.876
   84    H1*    U   8           H1*        U   8 -10.732 -29.284  44.724
   85    H3     U   8           H3         U   8  -7.849 -29.801  48.143
   86    H5     U   8           H5         U   8  -5.524 -28.274  45.004
   87    H6     U   8           H6         U   8  -7.554 -27.915  43.765
   88   1H5*    G   9          1H5*        G   9 -13.830 -25.594  45.322
   89   2H5*    G   9          2H5*        G   9 -14.112 -23.935  45.850
   90    H4*    G   9           H4*        G   9 -14.843 -25.595  47.431
   91    H3*    G   9           H3*        G   9 -12.745 -23.595  48.371
   92    H2*    G   9           H2*        G   9 -12.814 -24.738  50.566
   93   2HO*    G   9          2HO*        G   9 -14.323 -26.125  51.131
   94    H1*    G   9           H1*        G   9 -12.739 -27.296  49.649
   95    H8     G   9           H8         G   9 -10.488 -25.269  47.318
   96    H1     G   9           H1         G   9  -7.735 -27.250  52.759
   97   1H2     G   9          1H2         G   9  -9.282 -28.108  54.159
   98   2H2     G   9          2H2         G   9 -10.929 -28.153  53.680
   99   1H5*    C  10          1H5*        C  10 -15.349 -23.711  51.573
  100   2H5*    C  10          2H5*        C  10 -15.697 -22.020  51.931
  101    H4*    C  10           H4*        C  10 -15.013 -23.120  53.872
  102    H3*    C  10           H3*        C  10 -12.971 -21.070  52.886
  103    H2*    C  10           H2*        C  10 -11.632 -21.655  54.882
  104   2HO*    C  10          2HO*        C  10 -12.392 -22.719  56.545
  105    H1*    C  10           H1*        C  10 -11.959 -24.370  54.736
  106   1H4     C  10          1H4         C  10  -6.477 -23.557  51.716
  107   2H4     C  10          2H4         C  10  -7.299 -23.165  50.244
  108    H5     C  10           H5         C  10  -9.708 -22.943  50.087
  109    H6     C  10           H6         C  10 -11.802 -23.062  51.360
  110   1H5*    U  11          1H5*        U  11 -13.252 -20.111  56.789
  111   2H5*    U  11          2H5*        U  11 -13.257 -18.353  56.929
  112    H4*    U  11           H4*        U  11 -11.500 -19.303  58.178
  113    H3*    U  11           H3*        U  11 -10.586 -17.586  55.823
  114    H2*    U  11           H2*        U  11  -8.269 -18.056  56.563
  115   2HO*    U  11          2HO*        U  11  -7.771 -18.853  58.456
  116    H1*    U  11           H1*        U  11  -8.582 -20.728  57.019
  117    H3     U  11           H3         U  11  -6.167 -20.801  53.270
  118    H5     U  11           H5         U  11 -10.043 -19.901  51.947
  119    H6     U  11           H6         U  11 -10.715 -19.721  54.249
  120   1H5*    G  12          1H5*        G  12  -8.345 -16.543  59.181
  121   2H5*    G  12          2H5*        G  12  -8.219 -14.784  59.210
  122    H4*    G  12           H4*        G  12  -6.126 -15.988  59.433
  123    H3*    G  12           H3*        G  12  -6.437 -13.936  57.220
  124    H2*    G  12           H2*        G  12  -4.372 -14.535  56.267
  125   2HO*    G  12          2HO*        G  12  -2.668 -15.137  57.390
  126    H1*    G  12           H1*        G  12  -4.147 -17.181  57.403
  127    H8     G  12           H8         G  12  -6.967 -17.439  55.035
  128    H1     G  12           H1         G  12  -1.282 -17.150  52.084
  129   1H2     G  12          1H2         G  12   0.321 -16.480  53.524
  130   2H2     G  12          2H2         G  12  -0.091 -16.137  55.153
  131   1H5*    A  13          1H5*        A  13  -4.054 -12.702  60.525
  132   2H5*    A  13          2H5*        A  13  -3.756 -11.036  61.018
  133    H4*    A  13           H4*        A  13  -1.975 -12.011  59.721
  134    H3*    A  13           H3*        A  13  -3.267  -9.467  58.852
  135    H2*    A  13           H2*        A  13  -2.693  -9.671  56.626
  136   2HO*    A  13          2HO*        A  13  -0.223 -10.639  57.547
  137    H1*    A  13           H1*        A  13  -1.393 -12.343  56.861
  138    H8     A  13           H8         A  13  -5.119 -11.698  56.043
  139   1H6     A  13          1H6         A  13  -3.553 -13.314  50.299
  140   2H6     A  13          2H6         A  13  -4.856 -12.888  51.355
  141    H2     A  13           H2         A  13   0.180 -13.168  52.784
  142   1H5*    A  14          1H5*        A  14   1.845  -6.655  58.695
  143   2H5*    A  14          2H5*        A  14   0.506  -6.783  57.554
  144    H4*    A  14           H4*        A  14   2.961  -8.472  57.697
  145    H3*    A  14           H3*        A  14   3.093  -6.090  56.466
  146    H2*    A  14           H2*        A  14   1.085  -6.329  55.034
  147   2HO*    A  14          2HO*        A  14   2.501  -5.804  53.593
  148    H1*    A  14           H1*        A  14   2.046  -9.103  54.276
  149    H8     A  14           H8         A  14  -1.253  -7.896  55.957
  150   1H6     A  14          1H6         A  14  -3.960 -10.140  50.887
  151   2H6     A  14          2H6         A  14  -4.214  -9.398  52.430
  152    H2     A  14           H2         A  14   0.481 -10.591  50.427
  153   1H5*    G  15          1H5*        G  15   6.338  -5.871  52.450
  154   2H5*    G  15          2H5*        G  15   4.576  -5.930  52.420
  155    H4*    G  15           H4*        G  15   6.495  -7.901  51.289
  156    H3*    G  15           H3*        G  15   4.821  -5.793  49.847
  157    H2*    G  15           H2*        G  15   4.553  -7.453  48.026
  158   2HO*    G  15          2HO*        G  15   5.716  -9.228  47.863
  159    H1*    G  15           H1*        G  15   4.018  -9.616  49.598
  160    H8     G  15           H8         G  15   2.004  -7.337  51.620
  161    H1     G  15           H1         G  15  -0.505  -8.212  45.785
  162   1H2     G  15          1H2         G  15   1.013  -9.154  44.406
  163   2H2     G  15          2H2         G  15   2.580  -9.525  44.997
  164   1H5*    C  16          1H5*        C  16   7.857  -5.885  46.938
  165   2H5*    C  16          2H5*        C  16   8.243  -4.201  46.582
  166    H4*    C  16           H4*        C  16   7.508  -5.387  44.664
  167    H3*    C  16           H3*        C  16   5.702  -3.078  45.537
  168    H2*    C  16           H2*        C  16   4.309  -3.597  43.572
  169   2HO*    C  16          2HO*        C  16   4.957  -4.749  41.933
  170    H1*    C  16           H1*        C  16   4.390  -6.338  43.793
  171   1H4     C  16          1H4         C  16  -1.088  -4.819  46.563
  172   2H4     C  16          2H4         C  16  -0.291  -4.626  48.088
  173    H5     C  16           H5         C  16   2.115  -4.760  48.353
  174    H6     C  16           H6         C  16   4.230  -5.113  47.161
  175   1H5*    G  17          1H5*        G  17   6.353  -2.490  41.329
  176   2H5*    G  17          2H5*        G  17   6.479  -0.738  41.160
  177    H4*    G  17           H4*        G  17   4.846  -1.678  39.715
  178    H3*    G  17           H3*        G  17   3.770   0.266  41.817
  179    H2*    G  17           H2*        G  17   1.549  -0.076  40.803
  180   2HO*    G  17          2HO*        G  17   1.236  -0.919  38.889
  181    H1*    G  17           H1*        G  17   1.737  -2.793  40.447
  182    H8     G  17           H8         G  17   3.197  -1.805  43.866
  183    H1     G  17           H1         G  17  -3.124  -2.872  43.736
  184   1H2     G  17          1H2         G  17  -3.838  -3.128  41.610
  185   2H2     G  17          2H2         G  17  -2.713  -3.025  40.320
  186   1H5*    C  18          1H5*        C  18   2.246   1.557  37.927
  187   2H5*    C  18          2H5*        C  18   2.159   3.313  38.063
  188    H4*    C  18           H4*        C  18   0.107   2.290  37.366
  189    H3*    C  18           H3*        C  18   0.025   3.886  39.972
  190    H2*    C  18           H2*        C  18  -2.387   3.367  40.055
  191   2HO*    C  18          2HO*        C  18  -2.997   3.679  38.049
  192    H1*    C  18           H1*        C  18  -2.206   0.735  39.306
  193   1H4     C  18          1H4         C  18  -2.318   0.187  45.583
  194   2H4     C  18          2H4         C  18  -0.667   0.692  45.714
  195    H5     C  18           H5         C  18   0.655   1.411  43.814
  196    H6     C  18           H6         C  18   0.612   1.781  41.389
  197   1H5*    G  19          1H5*        G  19  -2.656   6.508  37.704
  198   2H5*    G  19          2H5*        G  19  -2.641   7.985  38.669
  199    H4*    G  19           H4*        G  19  -4.735   6.620  38.545
  200    H3*    G  19           H3*        G  19  -3.653   7.681  41.201
  201    H2*    G  19           H2*        G  19  -5.608   6.614  42.266
  202   2HO*    G  19          2HO*        G  19  -7.327   5.986  41.222
  203    H1*    G  19           H1*        G  19  -5.540   4.264  40.852
  204    H8     G  19           H8         G  19  -1.896   4.915  41.580
  205    H1     G  19           H1         G  19  -5.203   2.588  46.556
  206   1H2     G  19          1H2         G  19  -7.419   2.652  46.131
  207   2H2     G  19          2H2         G  19  -7.977   3.268  44.631
  208   1H5*    C  20          1H5*        C  20  -6.902  10.421  40.775
  209   2H5*    C  20          2H5*        C  20  -6.612  11.788  41.851
  210    H4*    C  20           H4*        C  20  -8.148   9.889  42.521
  211    H3*    C  20           H3*        C  20  -6.149  11.202  44.422
  212    H2*    C  20           H2*        C  20  -6.795   9.626  46.121
  213   2HO*    C  20          2HO*        C  20  -8.684   8.777  46.272
  214    H1*    C  20           H1*        C  20  -7.381   7.439  44.436
  215   1H4     C  20          1H4         C  20  -2.086   5.467  47.214
  216   2H4     C  20          2H4         C  20  -1.142   6.689  46.432
  217    H5     C  20           H5         C  20  -2.098   8.389  44.993
  218    H6     C  20           H6         C  20  -4.193   9.231  44.031
  219   1H5*    A  21          1H5*        A  21  -7.278  14.863  46.333
  220   2H5*    A  21          2H5*        A  21  -5.580  14.453  46.569
  221    H4*    A  21           H4*        A  21  -7.788  14.439  48.396
  222    H3*    A  21           H3*        A  21  -4.793  14.596  48.714
  223    H2*    A  21           H2*        A  21  -5.017  13.585  50.930
  224   2HO*    A  21          2HO*        A  21  -7.798  13.833  50.635
  225    H1*    A  21           H1*        A  21  -6.734  11.570  50.379
  226    H8     A  21           H8         A  21  -4.901  11.459  47.172
  227   1H6     A  21          1H6         A  21  -0.371   8.519  50.156
  228   2H6     A  21          2H6         A  21  -1.005   8.966  48.609
  229    H2     A  21           H2         A  21  -3.197  10.210  53.206
  230   1H5*    C  22          1H5*        C  22  -5.687  15.465  52.465
  231   2H5*    C  22          2H5*        C  22  -5.080  17.110  52.658
  232    H4*    C  22           H4*        C  22  -4.313  15.690  54.387
  233    H3*    C  22           H3*        C  22  -2.128  16.787  52.560
  234    H2*    C  22           H2*        C  22  -0.510  15.574  53.989
  235   2HO*    C  22          2HO*        C  22  -0.961  14.816  55.898
  236    H1*    C  22           H1*        C  22  -1.886  13.229  54.169
  237   1H4     C  22          1H4         C  22   1.988  12.465  49.196
  238   2H4     C  22          2H4         C  22   0.640  12.718  48.138
  239    H5     C  22           H5         C  22  -1.548  13.407  48.920
  240    H6     C  22           H6         C  22  -2.855  13.988  50.914
  241   1H5*    G  23          1H5*        G  23  -0.970  17.395  56.502
  242   2H5*    G  23          2H5*        G  23  -0.362  19.042  56.665
  243    H4*    G  23           H4*        G  23   1.053  17.309  57.612
  244    H3*    G  23           H3*        G  23   2.249  19.194  55.533
  245    H2*    G  23           H2*        G  23   4.380  17.969  55.843
  246   2HO*    G  23          2HO*        G  23   4.419  17.734  57.969
  247    H1*    G  23           H1*        G  23   3.350  15.448  55.801
  248    H8     G  23           H8         G  23   1.163  16.459  53.119
  249    H1     G  23           H1         G  23   7.309  16.847  51.339
  250   1H2     G  23          1H2         G  23   8.659  16.788  53.146
  251   2H2     G  23          2H2         G  23   7.975  16.652  54.713
  252   1H5*    G  24          1H5*        G  24   4.724  20.600  58.583
  253   2H5*    G  24          2H5*        G  24   4.821  22.347  58.362
  254    H4*    G  24           H4*        G  24   6.908  21.158  58.063
  255    H3*    G  24           H3*        G  24   5.892  22.860  55.736
  256    H2*    G  24           H2*        G  24   7.964  22.208  54.547
  257   2HO*    G  24          2HO*        G  24   9.648  21.368  55.487
  258    H1*    G  24           H1*        G  24   7.917  19.555  55.201
  259    H8     G  24           H8         G  24   4.279  20.035  54.591
  260    H1     G  24           H1         G  24   7.774  20.067  49.216
  261   1H2     G  24          1H2         G  24   9.969  20.264  49.703
  262   2H2     G  24          2H2         G  24  10.468  20.377  51.340
  263   1H5*    C  25          1H5*        C  25   9.891  24.219  56.093
  264   2H5*    C  25          2H5*        C  25   9.730  25.974  56.015
  265    H4*    C  25           H4*        C  25  11.312  25.125  54.454
  266    H3*    C  25           H3*        C  25   8.887  26.534  53.241
  267    H2*    C  25           H2*        C  25   9.935  26.128  51.036
  268   2HO*    C  25          2HO*        C  25  11.958  25.573  50.774
  269    H1*    C  25           H1*        C  25  10.700  23.541  51.485
  270   1H4     C  25          1H4         C  25   5.098  22.876  48.629
  271   2H4     C  25          2H4         C  25   4.286  22.930  50.158
  272    H5     C  25           H5         C  25   5.422  23.390  52.249
  273    H6     C  25           H6         C  25   7.601  23.893  53.259
  274   1H5*    A  26          1H5*        A  26  12.388  28.096  51.265
  275   2H5*    A  26          2H5*        A  26  12.045  29.821  51.139
  276    H4*    A  26           H4*        A  26  12.692  28.827  49.062
  277    H3*    A  26           H3*        A  26   9.902  30.071  49.155
  278    H2*    A  26           H2*        A  26   9.708  29.453  46.764
  279   2HO*    A  26          2HO*        A  26  11.352  28.865  45.559
  280    H1*    A  26           H1*        A  26  10.735  26.930  46.975
  281    H8     A  26           H8         A  26   8.594  27.531  50.074
  282   1H6     A  26          1H6         A  26   3.868  25.497  46.670
  283   2H6     A  26          2H6         A  26   4.390  25.960  48.254
  284    H2     A  26           H2         A  26   7.426  25.997  43.979
  285   1H5*    A  27          1H5*        A  27  11.836  31.476  45.654
  286   2H5*    A  27          2H5*        A  27  11.197  33.088  45.331
  287    H4*    A  27           H4*        A  27  10.973  31.392  43.559
  288    H3*    A  27           H3*        A  27   8.524  32.980  44.476
  289    H2*    A  27           H2*        A  27   7.240  31.748  42.791
  290   2HO*    A  27          2HO*        A  27   8.073  30.837  41.116
  291    H1*    A  27           H1*        A  27   8.454  29.280  43.141
  292    H8     A  27           H8         A  27   7.746  30.521  46.628
  293   1H6     A  27          1H6         A  27   2.024  28.342  45.875
  294   2H6     A  27          2H6         A  27   3.167  28.987  47.003
  295    H2     A  27           H2         A  27   4.105  28.228  41.901
  296   1H5*    G  28          1H5*        G  28   6.522  35.771  41.165
  297   2H5*    G  28          2H5*        G  28   5.895  34.871  42.544
  298    H4*    G  28           H4*        G  28   5.817  34.142  39.649
  299    H3*    G  28           H3*        G  28   3.631  35.137  41.470
  300    H2*    G  28           H2*        G  28   2.141  33.433  40.552
  301   2HO*    G  28          2HO*        G  28   2.632  33.581  38.457
  302    H1*    G  28           H1*        G  28   3.763  31.271  40.591
  303    H8     G  28           H8         G  28   5.129  32.599  43.705
  304    H1     G  28           H1         G  28  -0.949  30.660  44.340
  305   1H2     G  28          1H2         G  28  -1.903  30.374  42.315
  306   2H2     G  28          2H2         G  28  -0.987  30.677  40.897
  307   1H5*    A  29          1H5*        A  29   2.815  37.459  37.554
  308   2H5*    A  29          2H5*        A  29   1.787  38.808  38.039
  309    H4*    A  29           H4*        A  29   0.890  36.573  36.937
  310    H3*    A  29           H3*        A  29  -0.449  38.744  38.000
  311    H2*    A  29           H2*        A  29  -0.832  37.856  40.224
  312   2HO*    A  29          2HO*        A  29  -2.808  37.073  40.319
  313    H1*    A  29           H1*        A  29  -1.217  35.080  39.024
  314    H8     A  29           H8         A  29   1.568  35.883  41.519
  315   1H6     A  29          1H6         A  29  -1.913  32.854  45.615
  316   2H6     A  29          2H6         A  29  -0.380  33.604  45.324
  317    H2     A  29           H2         A  29  -4.285  33.330  41.836
  318   1H5*    G  30          1H5*        G  30  -2.801  35.885  35.729
  319   2H5*    G  30          2H5*        G  30  -3.709  36.137  34.239
  320    H4*    G  30           H4*        G  30  -5.148  37.714  35.434
  321    H3*    G  30           H3*        G  30  -3.367  37.817  37.541
  322    H2*    G  30           H2*        G  30  -3.846  35.641  38.503
  323   2HO*    G  30          2HO*        G  30  -5.283  35.876  40.102
  324    H1*    G  30           H1*        G  30  -6.782  35.987  37.757
  325    H8     G  30           H8         G  30  -4.203  33.210  36.846
  326    H1     G  30           H1         G  30  -9.313  31.459  40.299
  327   1H2     G  30          1H2         G  30 -10.572  33.259  40.816
  328   2H2     G  30          2H2         G  30 -10.088  34.814  40.277
  329   1H5*    G  31          1H5*        G  31  -5.678  40.705  40.763
  330   2H5*    G  31          2H5*        G  31  -4.917  39.584  41.891
  331    H4*    G  31           H4*        G  31  -6.783  38.610  39.808
  332    H3*    G  31           H3*        G  31  -7.912  40.490  41.414
  333    H2*    G  31           H2*        G  31  -7.393  39.457  43.578
  334   2HO*    G  31          2HO*        G  31  -9.631  39.621  43.353
  335    H1*    G  31           H1*        G  31  -8.141  36.753  42.403
  336    H8     G  31           H8         G  31  -4.649  37.626  43.785
  337    H1     G  31           H1         G  31  -8.350  33.972  47.534
  338   1H2     G  31          1H2         G  31 -10.433  33.819  46.680
  339   2H2     G  31          2H2         G  31 -10.810  34.630  45.216
  340   1H5*    C  32          1H5*        C  32 -12.753  40.706  41.742
  341   2H5*    C  32          2H5*        C  32 -11.592  40.674  43.069
  342    H4*    C  32           H4*        C  32 -13.950  38.998  42.519
  343    H3*    C  32           H3*        C  32 -13.038  40.541  44.976
  344    H2*    C  32           H2*        C  32 -14.158  38.812  46.346
  345   2HO*    C  32          2HO*        C  32 -15.560  37.441  45.597
  346    H1*    C  32           H1*        C  32 -13.221  36.628  45.039
  347   1H4     C  32          1H4         C  32  -8.672  37.295  49.334
  348   2H4     C  32          2H4         C  32  -7.997  38.654  48.499
  349    H5     C  32           H5         C  32  -8.989  39.619  46.510
  350    H6     C  32           H6         C  32 -10.861  39.436  44.934
  351   1H5*    G  33          1H5*        G  33 -17.030  39.751  45.834
  352   2H5*    G  33          2H5*        G  33 -17.660  41.214  46.595
  353    H4*    G  33           H4*        G  33 -17.934  39.253  47.936
  354    H3*    G  33           H3*        G  33 -16.222  41.483  49.130
  355    H2*    G  33           H2*        G  33 -16.004  40.049  51.137
  356   2HO*    G  33          2HO*        G  33 -17.232  38.382  51.536
  357    H1*    G  33           H1*        G  33 -15.513  37.700  49.838
  358    H8     G  33           H8         G  33 -13.602  40.216  47.763
  359    H1     G  33           H1         G  33 -10.679  38.491  53.203
  360   1H2     G  33          1H2         G  33 -12.094  37.333  54.527
  361   2H2     G  33          2H2         G  33 -13.699  37.040  54.000
  362   1H5*    U  34          1H5*        U  34 -19.050  40.215  52.109
  363   2H5*    U  34          2H5*        U  34 -19.566  41.704  52.901
  364    H4*    U  34           H4*        U  34 -18.856  40.003  54.429
  365    H3*    U  34           H3*        U  34 -17.272  42.618  54.475
  366    H2*    U  34           H2*        U  34 -15.960  41.618  56.324
  367   2HO*    U  34          2HO*        U  34 -16.553  39.883  57.390
  368    H1*    U  34           H1*        U  34 -15.627  39.145  55.214
  369    H3     U  34           H3         U  34 -11.508  40.794  54.788
  370    H5     U  34           H5         U  34 -13.654  42.665  51.711
  371    H6     U  34           H6         U  34 -15.659  41.677  52.599
  372   1H5*    C  35          1H5*        C  35 -17.990  42.096  58.606
  373   2H5*    C  35          2H5*        C  35 -18.662  43.663  59.058
  374    H4*    C  35           H4*        C  35 -16.927  43.128  60.499
  375    H3*    C  35           H3*        C  35 -16.189  45.424  58.616
  376    H2*    C  35           H2*        C  35 -14.036  45.529  59.780
  377   2HO*    C  35          2HO*        C  35 -13.663  44.642  61.687
  378    H1*    C  35           H1*        C  35 -13.650  42.803  60.082
  379   1H4     C  35          1H4         C  35 -10.001  44.202  55.120
  380   2H4     C  35          2H4         C  35 -11.355  44.093  54.048
  381    H5     C  35           H5         C  35 -13.629  43.743  54.813
  382    H6     C  35           H6         C  35 -15.030  43.427  56.803
  383    H3T    C  35           H3T        C  35 -16.243  46.099  61.052
  384   1H5*    G  36          1H5*        G  36   0.433  44.601  57.640
  385   2H5*    G  36          2H5*        G  36  -0.872  45.289  56.644
  386    H4*    G  36           H4*        G  36  -0.802  45.029  59.619
  387    H3*    G  36           H3*        G  36  -2.194  43.242  57.585
  388    H2*    G  36           H2*        G  36  -4.084  43.098  59.177
  389   2HO*    G  36          2HO*        G  36  -3.972  43.738  61.209
  390    H1*    G  36           H1*        G  36  -4.237  45.734  59.810
  391    H8     G  36           H8         G  36  -3.345  45.859  56.142
  392    H1     G  36           H1         G  36  -9.509  44.565  57.334
  393   1H2     G  36          1H2         G  36  -9.811  44.104  59.523
  394   2H2     G  36          2H2         G  36  -8.469  44.141  60.589
  395    H5T    G  36           H5T        G  36   0.780  46.819  57.126
  396   1H5*    A  37          1H5*        A  37  -2.999  41.409  61.256
  397   2H5*    A  37          2H5*        A  37  -2.489  39.741  60.994
  398    H4*    A  37           H4*        A  37  -4.645  39.824  61.918
  399    H3*    A  37           H3*        A  37  -4.571  38.742  59.058
  400    H2*    A  37           H2*        A  37  -7.002  38.402  59.264
  401   2HO*    A  37          2HO*        A  37  -8.042  38.359  61.097
  402    H1*    A  37           H1*        A  37  -7.582  40.763  60.552
  403    H8     A  37           H8         A  37  -5.114  41.796  57.908
  404   1H6     A  37          1H6         A  37  -9.865  41.883  53.973
  405   2H6     A  37          2H6         A  37  -8.203  42.303  54.213
  406    H2     A  37           H2         A  37 -11.231  39.943  57.783
  407   1H5*    C  38          1H5*        C  38  -6.906  35.999  61.120
  408   2H5*    C  38          2H5*        C  38  -6.383  34.404  60.578
  409    H4*    C  38           H4*        C  38  -8.738  34.764  60.380
  410    H3*    C  38           H3*        C  38  -7.229  34.191  57.783
  411    H2*    C  38           H2*        C  38  -9.359  34.337  56.616
  412   2HO*    C  38          2HO*        C  38 -11.256  34.120  57.554
  413    H1*    C  38           H1*        C  38 -10.485  36.386  58.141
  414   1H4     C  38          1H4         C  38  -8.788  39.211  52.737
  415   2H4     C  38          2H4         C  38  -7.214  39.534  53.382
  416    H5     C  38           H5         C  38  -6.461  38.695  55.528
  417    H6     C  38           H6         C  38  -7.113  37.361  57.480
  418   1H5*    G  39          1H5*        G  39  -9.652  30.404  57.462
  419   2H5*    G  39          2H5*        G  39  -8.312  29.385  56.939
  420    H4*    G  39           H4*        G  39 -10.119  29.376  55.404
  421    H3*    G  39           H3*        G  39  -7.497  30.529  54.329
  422    H2*    G  39           H2*        G  39  -8.628  30.854  52.194
  423   2HO*    G  39          2HO*        G  39 -10.391  29.834  51.607
  424    H1*    G  39           H1*        G  39 -11.119  31.592  53.197
  425    H8     G  39           H8         G  39  -8.298  33.531  54.936
  426    H1     G  39           H1         G  39 -10.437  36.077  49.455
  427   1H2     G  39          1H2         G  39 -11.843  34.649  48.416
  428   2H2     G  39          2H2         G  39 -12.188  33.129  49.130
  429   1H5*    G  40          1H5*        G  40  -9.071  27.483  51.709
  430   2H5*    G  40          2H5*        G  40  -7.711  26.694  50.908
  431    H4*    G  40           H4*        G  40  -9.707  27.918  49.679
  432    H3*    G  40           H3*        G  40  -6.872  27.456  48.662
  433    H2*    G  40           H2*        G  40  -7.484  28.827  46.695
  434   2HO*    G  40          2HO*        G  40  -9.460  29.303  46.158
  435    H1*    G  40           H1*        G  40  -8.733  30.841  48.027
  436    H8     G  40           H8         G  40  -6.033  30.317  50.501
  437    H1     G  40           H1         G  40  -3.945  32.977  45.053
  438   1H2     G  40          1H2         G  40  -5.510  32.795  43.436
  439   2H2     G  40          2H2         G  40  -7.002  32.024  43.782
  440   1H5*    C  41          1H5*        C  41  -8.919  26.762  45.245
  441   2H5*    C  41          2H5*        C  41  -8.286  25.250  44.593
  442    H4*    C  41           H4*        C  41  -8.178  27.049  43.034
  443    H3*    C  41           H3*        C  41  -5.492  25.841  43.856
  444    H2*    C  41           H2*        C  41  -4.458  27.430  42.261
  445   2HO*    C  41          2HO*        C  41  -5.597  28.586  40.839
  446    H1*    C  41           H1*        C  41  -5.916  29.630  42.970
  447   1H4     C  41          1H4         C  41  -0.782  30.251  46.590
  448   2H4     C  41          2H4         C  41  -1.455  29.203  47.792
  449    H5     C  41           H5         C  41  -3.557  28.030  47.503
  450    H6     C  41           H6         C  41  -5.426  27.651  45.959
  451   1H5*    U  42          1H5*        U  42  -5.008  25.858  39.651
  452   2H5*    U  42          2H5*        U  42  -4.694  24.149  39.346
  453    H4*    U  42           H4*        U  42  -3.080  25.372  38.255
  454    H3*    U  42           H3*        U  42  -1.915  23.980  40.716
  455    H2*    U  42           H2*        U  42   0.260  24.938  40.068
  456   2HO*    U  42          2HO*        U  42   0.691  25.708  38.151
  457    H1*    U  42           H1*        U  42  -0.650  27.436  39.359
  458    H3     U  42           H3         U  42   1.688  28.333  43.061
  459    H5     U  42           H5         U  42  -1.914  26.741  44.500
  460    H6     U  42           H6         U  42  -2.514  26.223  42.228
  461   1H5*    U  43          1H5*        U  43   0.701  23.091  37.553
  462   2H5*    U  43          2H5*        U  43   1.264  21.439  37.807
  463    H4*    U  43           H4*        U  43   2.999  23.116  37.586
  464    H3*    U  43           H3*        U  43   2.964  21.403  40.118
  465    H2*    U  43           H2*        U  43   4.936  22.605  40.865
  466   2HO*    U  43          2HO*        U  43   6.240  23.699  39.568
  467    H1*    U  43           H1*        U  43   4.275  25.113  39.818
  468    H3     U  43           H3         U  43   4.640  25.744  44.265
  469    H5     U  43           H5         U  43   0.782  24.197  43.710
  470    H6     U  43           H6         U  43   1.354  23.778  41.412
  471   1H5*    G  44          1H5*        G  44   6.960  21.365  38.160
  472   2H5*    G  44          2H5*        G  44   7.532  19.714  38.399
  473    H4*    G  44           H4*        G  44   9.162  21.400  38.948
  474    H3*    G  44           H3*        G  44   8.338  19.467  41.152
  475    H2*    G  44           H2*        G  44   9.919  20.664  42.633
  476   2HO*    G  44          2HO*        G  44  11.382  22.043  41.934
  477    H1*    G  44           H1*        G  44   9.208  23.198  41.961
  478    H8     G  44           H8         G  44   5.982  21.148  41.915
  479    H1     G  44           H1         G  44   7.788  23.306  47.676
  480   1H2     G  44          1H2         G  44   9.868  24.177  47.576
  481   2H2     G  44          2H2         G  44  10.713  24.185  46.084
  482   1H5*    C  45          1H5*        C  45  12.460  19.627  41.628
  483   2H5*    C  45          2H5*        C  45  12.948  17.933  41.696
  484    H4*    C  45           H4*        C  45  13.812  19.098  43.530
  485    H3*    C  45           H3*        C  45  11.672  17.055  44.303
  486    H2*    C  45           H2*        C  45  12.099  17.708  46.650
  487   2HO*    C  45          2HO*        C  45  13.796  18.806  47.282
  488    H1*    C  45           H1*        C  45  12.214  20.413  46.244
  489   1H4     C  45          1H4         C  45   6.181  19.609  47.912
  490   2H4     C  45          2H4         C  45   5.750  19.162  46.297
  491    H5     C  45           H5         C  45   7.372  18.895  44.515
  492    H6     C  45           H6         C  45   9.762  19.016  43.969
  493   1H5*    U  46          1H5*        U  46  14.560  16.173  46.963
  494   2H5*    U  46          2H5*        U  46  14.675  14.417  47.072
  495    H4*    U  46           H4*        U  46  14.249  15.370  49.182
  496    H3*    U  46           H3*        U  46  11.974  13.640  48.107
  497    H2*    U  46           H2*        U  46  10.795  14.115  50.233
  498   2HO*    U  46          2HO*        U  46  11.734  14.953  51.943
  499    H1*    U  46           H1*        U  46  11.325  16.790  50.337
  500    H3     U  46           H3         U  46   6.996  16.839  49.269
  501    H5     U  46           H5         U  46   8.909  15.932  45.650
  502    H6     U  46           H6         U  46  10.980  15.766  46.864
  503   1H5*    G  47          1H5*        G  47  12.613  12.673  52.149
  504   2H5*    G  47          2H5*        G  47  12.571  10.913  52.243
  505    H4*    G  47           H4*        G  47  11.168  12.140  53.831
  506    H3*    G  47           H3*        G  47  10.010   9.946  52.097
  507    H2*    G  47           H2*        G  47   7.812  10.482  52.692
  508   2HO*    G  47          2HO*        G  47   7.236  11.180  54.660
  509    H1*    G  47           H1*        G  47   8.304  13.164  53.694
  510    H8     G  47           H8         G  47   8.677  13.258  49.988
  511    H1     G  47           H1         G  47   2.568  13.204  51.932
  512   1H2     G  47          1H2         G  47   2.440  12.664  54.120
  513   2H2     G  47          2H2         G  47   3.877  12.342  54.999
  514   1H5*    A  48          1H5*        A  48   8.756   9.176  55.933
  515   2H5*    A  48          2H5*        A  48   8.807   7.464  56.357
  516    H4*    A  48           H4*        A  48   6.654   8.566  56.661
  517    H3*    A  48           H3*        A  48   6.926   6.034  55.098
  518    H2*    A  48           H2*        A  48   4.978   6.313  53.889
  519   2HO*    A  48          2HO*        A  48   3.881   7.316  56.270
  520    H1*    A  48           H1*        A  48   4.310   9.015  54.936
  521    H8     A  48           H8         A  48   6.516   8.348  51.836
  522   1H6     A  48          1H6         A  48   1.534  10.024  48.609
  523   2H6     A  48          2H6         A  48   3.205   9.588  48.526
  524    H2     A  48           H2         A  48   0.404   9.854  52.949
  525   1H5*    A  49          1H5*        A  49   3.633   4.271  58.722
  526   2H5*    A  49          2H5*        A  49   3.076   3.038  57.591
  527    H4*    A  49           H4*        A  49   1.741   5.271  58.629
  528    H3*    A  49           H3*        A  49   0.746   2.892  57.903
  529    H2*    A  49           H2*        A  49   1.222   3.045  55.474
  530   2HO*    A  49          2HO*        A  49  -0.807   2.533  55.442
  531    H1*    A  49           H1*        A  49   0.023   5.829  55.489
  532    H8     A  49           H8         A  49   3.563   4.539  54.494
  533   1H6     A  49          1H6         A  49   2.102   6.651  48.884
  534   2H6     A  49          2H6         A  49   3.330   5.915  49.855
  535    H2     A  49           H2         A  49  -1.440   7.245  51.576
  536   1H5*    G  50          1H5*        G  50  -4.316   2.654  57.297
  537   2H5*    G  50          2H5*        G  50  -3.117   2.833  56.016
  538    H4*    G  50           H4*        G  50  -5.356   4.675  56.694
  539    H3*    G  50           H3*        G  50  -5.152   2.647  54.436
  540    H2*    G  50           H2*        G  50  -6.289   4.305  52.993
  541   2HO*    G  50          2HO*        G  50  -7.270   6.040  53.730
  542    H1*    G  50           H1*        G  50  -4.842   6.484  53.714
  543    H8     G  50           H8         G  50  -1.959   4.228  53.811
  544    H1     G  50           H1         G  50  -4.172   5.078  47.854
  545   1H2     G  50          1H2         G  50  -6.227   6.009  47.901
  546   2H2     G  50          2H2         G  50  -6.957   6.379  49.408
  547   1H5*    C  51          1H5*        C  51  -9.385   2.554  54.516
  548   2H5*    C  51          2H5*        C  51  -9.797   0.842  54.422
  549    H4*    C  51           H4*        C  51 -10.622   2.186  52.597
  550    H3*    C  51           H3*        C  51  -8.784  -0.158  51.898
  551    H2*    C  51           H2*        C  51  -9.106   0.447  49.544
  552   2HO*    C  51          2HO*        C  51 -10.693   1.644  48.830
  553    H1*    C  51           H1*        C  51  -9.029   3.195  49.861
  554   1H4     C  51          1H4         C  51  -3.220   1.811  47.790
  555   2H4     C  51          2H4         C  51  -2.692   1.478  49.405
  556    H5     C  51           H5         C  51  -4.187   1.468  51.313
  557    H6     C  51           H6         C  51  -6.515   1.786  52.016
  558   1H5*    G  52          1H5*        G  52 -12.295  -0.505  49.299
  559   2H5*    G  52          2H5*        G  52 -12.541  -2.251  49.231
  560    H4*    G  52           H4*        G  52 -12.438  -1.267  47.074
  561    H3*    G  52           H3*        G  52 -10.207  -3.261  47.705
  562    H2*    G  52           H2*        G  52  -9.402  -2.880  45.402
  563   2HO*    G  52          2HO*        G  52 -10.554  -1.952  43.883
  564    H1*    G  52           H1*        G  52  -9.718  -0.155  45.367
  565    H8     G  52           H8         G  52  -8.317  -1.381  48.753
  566    H1     G  52           H1         G  52  -3.978   0.011  44.241
  567   1H2     G  52          1H2         G  52  -4.996   0.432  42.271
  568   2H2     G  52          2H2         G  52  -6.705   0.351  42.165
  569   1H5*    C  53          1H5*        C  53 -11.961  -4.342  43.844
  570   2H5*    C  53          2H5*        C  53 -11.861  -6.103  43.818
  571    H4*    C  53           H4*        C  53 -10.911  -5.059  41.884
  572    H3*    C  53           H3*        C  53  -9.015  -6.748  43.587
  573    H2*    C  53           H2*        C  53  -7.274  -6.229  41.910
  574   2HO*    C  53          2HO*        C  53  -8.269  -6.442  40.068
  575    H1*    C  53           H1*        C  53  -7.859  -3.569  41.610
  576   1H4     C  53          1H4         C  53  -3.281  -3.266  45.928
  577   2H4     C  53          2H4         C  53  -4.340  -3.825  47.178
  578    H5     C  53           H5         C  53  -6.632  -4.503  46.772
  579    H6     C  53           H6         C  53  -8.349  -4.768  45.039
  580   1H5*    G  54          1H5*        G  54  -8.726  -9.228  39.825
  581   2H5*    G  54          2H5*        G  54  -8.096 -10.711  40.541
  582    H4*    G  54           H4*        G  54  -6.696  -9.451  38.890
  583    H3*    G  54           H3*        G  54  -5.550 -10.497  41.522
  584    H2*    G  54           H2*        G  54  -3.386  -9.536  40.794
  585   2HO*    G  54          2HO*        G  54  -2.971  -8.924  38.815
  586    H1*    G  54           H1*        G  54  -4.352  -7.144  39.899
  587    H8     G  54           H8         G  54  -6.389  -7.857  43.021
  588    H1     G  54           H1         G  54  -0.543  -5.462  44.115
  589   1H2     G  54          1H2         G  54   0.680  -5.469  42.219
  590   2H2     G  54          2H2         G  54  -0.010  -6.065  40.767
  591   1H5*    C  55          1H5*        C  55  -3.686 -13.994  39.413
  592   2H5*    C  55          2H5*        C  55  -3.476 -14.990  40.853
  593    H4*    C  55           H4*        C  55  -1.514 -13.774  39.754
  594    H3*    C  55           H3*        C  55  -1.896 -14.046  42.774
  595    H2*    C  55           H2*        C  55   0.198 -12.744  43.008
  596   2HO*    C  55          2HO*        C  55   1.513 -12.315  41.350
  597    H1*    C  55           H1*        C  55  -0.361 -10.848  41.122
  598   1H4     C  55          1H4         C  55  -2.490  -7.934  46.281
  599   2H4     C  55          2H4         C  55  -3.877  -8.965  46.370
  600    H5     C  55           H5         C  55  -4.251 -10.821  44.855
  601    H6     C  55           H6         C  55  -3.323 -12.038  42.936
  602   1H5*    A  56          1H5*        A  56   1.487 -14.736  42.482
  603   2H5*    A  56          2H5*        A  56   2.385 -15.941  41.559
  604    H4*    A  56           H4*        A  56   3.900 -16.076  43.083
  605    H3*    A  56           H3*        A  56   1.690 -16.951  44.947
  606    H2*    A  56           H2*        A  56   3.140 -16.389  46.843
  607   2HO*    A  56          2HO*        A  56   5.218 -16.136  46.712
  608    H1*    A  56           H1*        A  56   4.055 -13.976  46.032
  609    H8     A  56           H8         A  56   0.543 -13.961  44.674
  610   1H6     A  56          1H6         A  56  -1.218 -12.127  50.295
  611   2H6     A  56          2H6         A  56  -1.709 -12.361  48.652
  612    H2     A  56           H2         A  56   3.087 -13.378  50.511
  613   1H5*    C  57          1H5*        C  57   5.041 -18.936  46.792
  614   2H5*    C  57          2H5*        C  57   4.265 -20.414  47.362
  615    H4*    C  57           H4*        C  57   5.321 -18.881  49.025
  616    H3*    C  57           H3*        C  57   2.510 -20.007  49.446
  617    H2*    C  57           H2*        C  57   2.492 -18.770  51.589
  618   2HO*    C  57          2HO*        C  57   4.215 -17.995  52.519
  619    H1*    C  57           H1*        C  57   3.575 -16.438  50.653
  620   1H4     C  57          1H4         C  57  -2.703 -15.543  50.373
  621   2H4     C  57          2H4         C  57  -2.656 -15.869  48.673
  622    H5     C  57           H5         C  57  -0.668 -16.647  47.525
  623    H6     C  57           H6         C  57   1.689 -17.264  47.826
  624   1H5*    G  58          1H5*        G  58   4.582 -20.884  52.959
  625   2H5*    G  58          2H5*        G  58   4.212 -22.546  53.417
  626    H4*    G  58           H4*        G  58   3.917 -20.825  55.152
  627    H3*    G  58           H3*        G  58   1.665 -22.769  54.514
  628    H2*    G  58           H2*        G  58   0.324 -21.605  56.238
  629   2HO*    G  58          2HO*        G  58   1.786 -21.323  57.777
  630    H1*    G  58           H1*        G  58   0.895 -19.057  55.497
  631    H8     G  58           H8         G  58   0.705 -20.098  52.039
  632    H1     G  58           H1         G  58  -4.966 -20.713  54.968
  633   1H2     G  58          1H2         G  58  -4.711 -20.623  57.209
  634   2H2     G  58          2H2         G  58  -3.145 -20.412  57.877
  635   1H5*    G  59          1H5*        G  59   2.014 -24.205  58.439
  636   2H5*    G  59          2H5*        G  59   1.798 -25.948  58.284
  637    H4*    G  59           H4*        G  59   0.077 -24.746  59.538
  638    H3*    G  59           H3*        G  59  -0.759 -26.518  57.192
  639    H2*    G  59           H2*        G  59  -3.093 -25.906  57.752
  640   2HO*    G  59          2HO*        G  59  -3.680 -25.052  59.579
  641    H1*    G  59           H1*        G  59  -2.666 -23.235  58.140
  642    H8     G  59           H8         G  59  -0.458 -23.683  55.191
  643    H1     G  59           H1         G  59  -6.694 -23.993  53.735
  644   1H2     G  59          1H2         G  59  -7.932 -24.213  55.610
  645   2H2     G  59          2H2         G  59  -7.155 -24.271  57.137
  646   1H5*    C  60          1H5*        C  60  -3.343 -27.970  60.293
  647   2H5*    C  60          2H5*        C  60  -3.219 -29.718  60.095
  648    H4*    C  60           H4*        C  60  -5.473 -28.919  60.102
  649    H3*    C  60           H3*        C  60  -4.547 -30.336  57.557
  650    H2*    C  60           H2*        C  60  -6.850 -30.006  56.710
  651   2HO*    C  60          2HO*        C  60  -8.494 -29.484  57.928
  652    H1*    C  60           H1*        C  60  -7.151 -27.414  57.527
  653   1H4     C  60          1H4         C  60  -5.150 -26.786  51.563
  654   2H4     C  60          2H4         C  60  -3.502 -26.777  52.093
  655    H5     C  60           H5         C  60  -2.845 -27.178  54.392
  656    H6     C  60           H6         C  60  -3.688 -27.672  56.643
  657   1H5*    A  61          1H5*        A  61  -8.390 -32.006  58.641
  658   2H5*    A  61          2H5*        A  61  -8.197 -33.723  58.296
  659    H4*    A  61           H4*        A  61 -10.143 -32.729  57.292
  660    H3*    A  61           H3*        A  61  -8.105 -34.002  55.403
  661    H2*    A  61           H2*        A  61  -9.655 -33.407  53.566
  662   2HO*    A  61          2HO*        A  61 -11.670 -32.832  53.860
  663    H1*    A  61           H1*        A  61 -10.236 -30.873  54.409
  664    H8     A  61           H8         A  61  -6.529 -31.440  55.096
  665   1H6     A  61          1H6         A  61  -5.604 -29.524  49.305
  666   2H6     A  61          2H6         A  61  -4.851 -29.949  50.804
  667    H2     A  61           H2         A  61 -10.018 -30.043  49.925
  668   1H5*    A  62          1H5*        A  62 -11.922 -35.460  54.322
  669   2H5*    A  62          2H5*        A  62 -11.695 -37.086  53.677
  670    H4*    A  62           H4*        A  62 -12.791 -35.429  52.226
  671    H3*    A  62           H3*        A  62 -10.391 -37.015  51.183
  672    H2*    A  62           H2*        A  62 -10.676 -35.825  49.061
  673   2HO*    A  62          2HO*        A  62 -12.456 -34.933  48.441
  674    H1*    A  62           H1*        A  62 -11.319 -33.344  50.116
  675    H8     A  62           H8         A  62  -8.346 -34.523  52.113
  676   1H6     A  62          1H6         A  62  -4.839 -32.376  47.513
  677   2H6     A  62          2H6         A  62  -4.850 -32.997  49.128
  678    H2     A  62           H2         A  62  -9.118 -32.324  46.159
  679   1H5*    G  63          1H5*        G  63 -11.202 -39.881  47.499
  680   2H5*    G  63          2H5*        G  63  -9.822 -38.916  48.026
  681    H4*    G  63           H4*        G  63 -11.815 -38.293  45.888
  682    H3*    G  63           H3*        G  63  -8.968 -39.258  45.664
  683    H2*    G  63           H2*        G  63  -8.583 -37.599  43.912
  684   2HO*    G  63          2HO*        G  63 -10.407 -37.803  42.780
  685    H1*    G  63           H1*        G  63  -9.733 -35.419  45.025
  686    H8     G  63           H8         G  63  -8.481 -36.648  48.228
  687    H1     G  63           H1         G  63  -3.761 -34.737  44.333
  688   1H2     G  63          1H2         G  63  -4.522 -34.516  42.219
  689   2H2     G  63          2H2         G  63  -6.167 -34.851  41.872
  690   1H5*    A  64          1H5*        A  64 -11.139 -41.642  42.366
  691   2H5*    A  64          2H5*        A  64 -10.071 -42.991  41.979
  692    H4*    A  64           H4*        A  64 -10.236 -40.778  40.544
  693    H3*    A  64           H3*        A  64  -8.517 -42.934  40.367
  694    H2*    A  64           H2*        A  64  -6.676 -42.010  41.647
  695   2HO*    A  64          2HO*        A  64  -5.227 -41.232  40.298
  696    H1*    A  64           H1*        A  64  -7.288 -39.255  40.493
  697    H8     A  64           H8         A  64  -7.469 -40.001  44.238
  698   1H6     A  64          1H6         A  64  -2.130 -36.931  44.603
  699   2H6     A  64          2H6         A  64  -3.411 -37.675  45.497
  700    H2     A  64           H2         A  64  -3.138 -37.484  40.265
  701   1H5*    G  65          1H5*        G  65  -8.503 -40.118  37.066
  702   2H5*    G  65          2H5*        G  65  -8.921 -40.391  35.375
  703    H4*    G  65           H4*        G  65  -7.046 -41.955  35.208
  704    H3*    G  65           H3*        G  65  -6.799 -42.019  37.959
  705    H2*    G  65           H2*        G  65  -5.787 -39.835  38.263
  706   2HO*    G  65          2HO*        G  65  -3.638 -40.056  38.359
  707    H1*    G  65           H1*        G  65  -4.262 -40.204  35.650
  708    H8     G  65           H8         G  65  -6.733 -37.425  36.817
  709    H1     G  65           H1         G  65  -0.698 -35.656  35.572
  710   1H2     G  65          1H2         G  65   0.562 -37.457  35.057
  711   2H2     G  65          2H2         G  65  -0.152 -39.017  35.044
  712   1H5*    G  66          1H5*        G  66  -2.865 -44.870  38.628
  713   2H5*    G  66          2H5*        G  66  -2.607 -43.722  39.943
  714    H4*    G  66           H4*        G  66  -2.778 -42.800  37.133
  715    H3*    G  66           H3*        G  66  -0.831 -44.661  37.493
  716    H2*    G  66           H2*        G  66   0.330 -43.593  39.373
  717   2HO*    G  66          2HO*        G  66   1.757 -43.782  37.645
  718    H1*    G  66           H1*        G  66   0.015 -40.914  37.970
  719    H8     G  66           H8         G  66  -1.465 -41.745  41.433
  720    H1     G  66           H1         G  66   3.773 -38.048  41.399
  721   1H2     G  66          1H2         G  66   4.635 -37.919  39.318
  722   2H2     G  66          2H2         G  66   3.871 -38.755  38.030
  723   1H5*    C  67          1H5*        C  67   2.827 -44.897  34.306
  724   2H5*    C  67          2H5*        C  67   2.947 -44.829  36.064
  725    H4*    C  67           H4*        C  67   4.204 -43.180  33.973
  726    H3*    C  67           H3*        C  67   5.319 -44.666  36.381
  727    H2*    C  67           H2*        C  67   7.063 -42.915  36.516
  728   2HO*    C  67          2HO*        C  67   7.505 -41.570  34.967
  729    H1*    C  67           H1*        C  67   5.453 -40.753  36.213
  730   1H4     C  67          1H4         C  67   5.308 -41.287  42.481
  731   2H4     C  67          2H4         C  67   4.255 -42.659  42.404
  732    H5     C  67           H5         C  67   3.549 -43.676  40.319
  733    H6     C  67           H6         C  67   3.745 -43.544  37.877
  734   1H5*    G  68          1H5*        G  68   8.729 -43.886  34.141
  735   2H5*    G  68          2H5*        G  68   9.732 -45.331  34.263
  736    H4*    G  68           H4*        G  68  10.844 -43.335  34.974
  737    H3*    G  68           H3*        G  68  10.525 -45.535  37.069
  738    H2*    G  68           H2*        G  68  11.778 -44.052  38.608
  739   2HO*    G  68          2HO*        G  68  12.899 -42.380  37.983
  740    H1*    G  68           H1*        G  68  10.473 -41.734  37.997
  741    H8     G  68           H8         G  68   7.681 -44.274  37.959
  742    H1     G  68           H1         G  68   9.520 -42.452  43.824
  743   1H2     G  68          1H2         G  68  11.447 -41.282  43.720
  744   2H2     G  68          2H2         G  68  12.190 -41.005  42.198
  745   1H5*    U  69          1H5*        U  69  14.606 -44.209  37.132
  746   2H5*    U  69          2H5*        U  69  15.559 -45.675  37.362
  747    H4*    U  69           H4*        U  69  16.093 -43.919  38.906
  748    H3*    U  69           H3*        U  69  15.090 -46.545  40.107
  749    H2*    U  69           H2*        U  69  15.443 -45.497  42.322
  750   2HO*    U  69          2HO*        U  69  16.572 -43.729  42.628
  751    H1*    U  69           H1*        U  69  14.359 -43.058  41.729
  752    H3     U  69           H3         U  69  11.231 -44.771  44.414
  753    H5     U  69           H5         U  69  10.545 -46.660  40.735
  754    H6     U  69           H6         U  69  12.560 -45.637  39.910
  755   1H5*    C  70          1H5*        C  70  18.554 -46.098  42.460
  756   2H5*    C  70          2H5*        C  70  19.313 -47.683  42.304
  757    H4*    C  70           H4*        C  70  19.058 -47.107  44.556
  758    H3*    C  70           H3*        C  70  17.303 -49.456  43.692
  759    H2*    C  70           H2*        C  70  16.464 -49.577  45.956
  760   2HO*    C  70          2HO*        C  70  17.475 -48.767  47.661
  761    H1*    C  70           H1*        C  70  16.519 -46.832  46.541
  762   1H4     C  70          1H4         C  70  10.359 -48.067  45.876
  763   2H4     C  70          2H4         C  70  10.489 -47.962  44.153
  764    H5     C  70           H5         C  70  12.599 -47.668  42.995
  765    H6     C  70           H6         C  70  15.019 -47.419  43.309
  766    H3T    C  70           H3T        C  70  19.020 -50.071  45.453
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   0.622 -44.756  51.893
    2   2H5*    G   1          2H5*        G   1   0.791 -45.392  50.240
    3    H4*    G   1           H4*        G   1   2.787 -45.532  52.452
    4    H3*    G   1           H3*        G   1   2.700 -43.601  50.085
    5    H2*    G   1           H2*        G   1   5.170 -43.783  50.033
    6   2HO*    G   1          2HO*        G   1   6.328 -44.543  51.612
    7    H1*    G   1           H1*        G   1   5.325 -46.491  50.339
    8    H8     G   1           H8         G   1   2.362 -46.223  48.056
    9    H1     G   1           H1         G   1   7.986 -45.240  45.138
   10   1H2     G   1          1H2         G   1   9.629 -44.972  46.661
   11   2H2     G   1          2H2         G   1   9.257 -45.052  48.334
   12    H5T    G   1           H5T        G   1  -0.289 -46.857  51.652
   13   1H5*    A   2          1H5*        A   2   5.925 -42.285  52.470
   14   2H5*    A   2          2H5*        A   2   5.562 -40.575  52.705
   15    H4*    A   2           H4*        A   2   7.798 -40.877  52.051
   16    H3*    A   2           H3*        A   2   6.088 -39.432  49.969
   17    H2*    A   2           H2*        A   2   8.147 -39.237  48.617
   18   2HO*    A   2          2HO*        A   2  10.052 -39.346  49.396
   19    H1*    A   2           H1*        A   2   9.079 -41.780  49.030
   20    H8     A   2           H8         A   2   5.367 -42.262  48.574
   21   1H6     A   2          1H6         A   2   6.446 -42.112  42.501
   22   2H6     A   2          2H6         A   2   5.279 -42.445  43.735
   23    H2     A   2           H2         A   2  10.192 -40.849  44.625
   24   1H5*    C   3          1H5*        C   3   9.523 -37.084  50.328
   25   2H5*    C   3          2H5*        C   3   8.971 -35.409  50.311
   26    H4*    C   3           H4*        C   3  10.667 -35.896  48.689
   27    H3*    C   3           H3*        C   3   7.984 -34.899  47.608
   28    H2*    C   3           H2*        C   3   8.959 -35.018  45.372
   29   2HO*    C   3          2HO*        C   3  11.037 -35.047  44.978
   30    H1*    C   3           H1*        C   3  10.437 -37.344  45.736
   31   1H4     C   3          1H4         C   3   5.367 -39.243  42.459
   32   2H4     C   3          2H4         C   3   4.495 -39.512  43.930
   33    H5     C   3           H5         C   3   5.359 -38.916  46.114
   34    H6     C   3           H6         C   3   7.270 -37.927  47.293
   35   1H5*    G   4          1H5*        G   4   9.582 -30.760  47.002
   36   2H5*    G   4          2H5*        G   4   8.132 -29.920  47.556
   37    H4*    G   4           H4*        G   4   8.652 -29.585  45.232
   38    H3*    G   4           H3*        G   4   5.934 -30.832  45.880
   39    H2*    G   4           H2*        G   4   5.490 -30.828  43.471
   40   2HO*    G   4          2HO*        G   4   6.105 -28.919  42.842
   41    H1*    G   4           H1*        G   4   8.032 -31.543  42.630
   42    H8     G   4           H8         G   4   6.888 -33.744  45.567
   43    H1     G   4           H1         G   4   5.106 -35.740  39.740
   44   1H2     G   4          1H2         G   4   5.583 -34.172  38.189
   45   2H2     G   4          2H2         G   4   6.324 -32.702  38.669
   46   1H5*    G   5          1H5*        G   5   2.238 -28.272  43.964
   47   2H5*    G   5          2H5*        G   5   2.444 -29.837  44.749
   48    H4*    G   5           H4*        G   5   3.091 -29.266  41.889
   49    H3*    G   5           H3*        G   5   0.391 -30.055  42.974
   50    H2*    G   5           H2*        G   5   0.240 -31.772  41.241
   51   2HO*    G   5          2HO*        G   5   1.446 -31.827  39.505
   52    H1*    G   5           H1*        G   5   2.709 -32.862  41.403
   53    H8     G   5           H8         G   5   2.712 -32.513  44.961
   54    H1     G   5           H1         G   5  -1.999 -36.423  43.057
   55   1H2     G   5          1H2         G   5  -2.385 -36.176  40.848
   56   2H2     G   5          2H2         G   5  -1.456 -35.053  39.945
   57   1H5*    C   6          1H5*        C   6  -0.838 -30.485  39.292
   58   2H5*    C   6          2H5*        C   6  -1.804 -29.027  39.064
   59    H4*    C   6           H4*        C   6  -3.068 -30.768  38.284
   60    H3*    C   6           H3*        C   6  -4.119 -29.824  40.982
   61    H2*    C   6           H2*        C   6  -5.853 -31.581  40.789
   62   2HO*    C   6          2HO*        C   6  -6.437 -31.454  38.759
   63    H1*    C   6           H1*        C   6  -4.236 -33.606  39.975
   64   1H4     C   6          1H4         C   6  -4.223 -34.238  46.268
   65   2H4     C   6          2H4         C   6  -2.799 -33.260  46.378
   66    H5     C   6           H5         C   6  -1.822 -32.119  44.475
   67    H6     C   6           H6         C   6  -2.056 -31.712  42.067
   68   1H5*    U   7          1H5*        U   7  -7.884 -29.697  39.007
   69   2H5*    U   7          2H5*        U   7  -8.277 -27.991  39.218
   70    H4*    U   7           H4*        U   7 -10.086 -29.231  39.921
   71    H3*    U   7           H3*        U   7  -8.608 -28.003  42.299
   72    H2*    U   7           H2*        U   7 -10.347 -29.023  43.727
   73   2HO*    U   7          2HO*        U   7 -12.194 -29.753  43.005
   74    H1*    U   7           H1*        U   7 -10.452 -31.455  42.469
   75    H3     U   7           H3         U   7  -8.534 -32.314  46.448
   76    H5     U   7           H5         U   7  -5.380 -31.056  43.989
   77    H6     U   7           H6         U   7  -7.007 -30.460  42.321
   78   1H5*    U   8          1H5*        U   8 -12.523 -27.121  42.972
   79   2H5*    U   8          2H5*        U   8 -12.636 -25.483  43.615
   80    H4*    U   8           H4*        U   8 -13.661 -27.177  44.984
   81    H3*    U   8           H3*        U   8 -11.432 -25.508  46.248
   82    H2*    U   8           H2*        U   8 -11.748 -26.767  48.294
   83   2HO*    U   8          2HO*        U   8 -13.527 -27.812  48.797
   84    H1*    U   8           H1*        U   8 -12.372 -29.240  47.135
   85    H3     U   8           H3         U   8  -8.688 -29.830  49.711
   86    H5     U   8           H5         U   8  -7.264 -28.542  45.985
   87    H6     U   8           H6         U   8  -9.536 -28.067  45.354
   88   1H5*    G   9          1H5*        G   9 -15.040 -25.478  48.781
   89   2H5*    G   9          2H5*        G   9 -15.146 -23.817  49.364
   90    H4*    G   9           H4*        G   9 -15.445 -25.409  51.109
   91    H3*    G   9           H3*        G   9 -13.027 -23.576  51.378
   92    H2*    G   9           H2*        G   9 -12.530 -24.742  53.505
   93   2HO*    G   9          2HO*        G   9 -13.908 -25.914  54.549
   94    H1*    G   9           H1*        G   9 -12.910 -27.286  52.626
   95    H8     G   9           H8         G   9 -11.305 -25.405  49.713
   96    H1     G   9           H1         G   9  -7.222 -27.607  54.138
   97   1H2     G   9          1H2         G   9  -8.345 -28.363  55.943
   98   2H2     G   9          2H2         G   9 -10.059 -28.288  55.968
   99   1H5*    C  10          1H5*        C  10 -14.658 -23.388  55.238
  100   2H5*    C  10          2H5*        C  10 -14.725 -21.658  55.575
  101    H4*    C  10           H4*        C  10 -13.633 -22.796  57.310
  102    H3*    C  10           H3*        C  10 -11.798 -20.940  55.719
  103    H2*    C  10           H2*        C  10 -10.006 -21.602  57.295
  104   2HO*    C  10          2HO*        C  10 -10.347 -22.467  59.158
  105    H1*    C  10           H1*        C  10 -10.544 -24.281  57.327
  106   1H4     C  10          1H4         C  10  -6.124 -23.927  52.839
  107   2H4     C  10          2H4         C  10  -7.303 -23.472  51.655
  108    H5     C  10           H5         C  10  -9.630 -23.056  52.188
  109    H6     C  10           H6         C  10 -11.273 -23.003  54.011
  110   1H5*    U  11          1H5*        U  11 -10.895 -19.843  59.534
  111   2H5*    U  11          2H5*        U  11 -10.755 -18.084  59.547
  112    H4*    U  11           H4*        U  11  -8.780 -19.131  60.331
  113    H3*    U  11           H3*        U  11  -8.461 -17.538  57.748
  114    H2*    U  11           H2*        U  11  -6.062 -18.152  57.823
  115   2HO*    U  11          2HO*        U  11  -5.085 -18.852  59.528
  116    H1*    U  11           H1*        U  11  -6.389 -20.783  58.444
  117    H3     U  11           H3         U  11  -5.178 -21.065  54.159
  118    H5     U  11           H5         U  11  -9.224 -19.980  53.991
  119    H6     U  11           H6         U  11  -9.182 -19.712  56.382
  120   1H5*    G  12          1H5*        G  12  -5.396 -16.597  60.344
  121   2H5*    G  12          2H5*        G  12  -5.091 -14.861  60.287
  122    H4*    G  12           H4*        G  12  -3.149 -16.322  60.008
  123    H3*    G  12           H3*        G  12  -3.762 -14.124  58.042
  124    H2*    G  12           H2*        G  12  -2.308 -14.941  56.425
  125   2HO*    G  12          2HO*        G  12  -0.338 -15.610  56.868
  126    H1*    G  12           H1*        G  12  -1.842 -17.579  57.624
  127    H8     G  12           H8         G  12  -5.149 -17.654  55.939
  128    H1     G  12           H1         G  12  -0.230 -18.214  51.866
  129   1H2     G  12          1H2         G  12   1.708 -17.665  52.888
  130   2H2     G  12          2H2         G  12   1.691 -17.186  54.535
  131   1H5*    A  13          1H5*        A  13  -0.210 -13.035  60.402
  132   2H5*    A  13          2H5*        A  13   0.160 -11.316  60.549
  133    H4*    A  13           H4*        A  13   1.573 -12.623  59.024
  134    H3*    A  13           H3*        A  13   0.295 -10.042  58.239
  135    H2*    A  13           H2*        A  13   0.351 -10.449  55.966
  136   2HO*    A  13          2HO*        A  13   2.220 -11.304  55.010
  137    H1*    A  13           H1*        A  13   1.438 -13.213  56.144
  138    H8     A  13           H8         A  13  -2.320 -12.320  56.175
  139   1H6     A  13          1H6         A  13  -2.281 -14.326  50.340
  140   2H6     A  13          2H6         A  13  -3.263 -13.757  51.646
  141    H2     A  13           H2         A  13   1.945 -14.323  51.854
  142   1H5*    A  14          1H5*        A  14   3.016  -6.694  58.000
  143   2H5*    A  14          2H5*        A  14   1.441  -6.231  57.358
  144    H4*    A  14           H4*        A  14   3.444  -8.157  56.346
  145    H3*    A  14           H3*        A  14   2.438  -5.628  55.305
  146    H2*    A  14           H2*        A  14   0.972  -6.552  53.737
  147   2HO*    A  14          2HO*        A  14   3.292  -7.816  52.788
  148    H1*    A  14           H1*        A  14   2.240  -9.316  53.929
  149    H8     A  14           H8         A  14  -1.251  -8.495  55.251
  150   1H6     A  14          1H6         A  14  -3.259 -11.626  50.329
  151   2H6     A  14          2H6         A  14  -3.714 -10.847  51.805
  152    H2     A  14           H2         A  14   1.190 -11.152  49.974
  153   1H5*    G  15          1H5*        G  15   5.276  -4.790  50.977
  154   2H5*    G  15          2H5*        G  15   3.780  -5.711  51.133
  155    H4*    G  15           H4*        G  15   6.412  -6.936  50.441
  156    H3*    G  15           H3*        G  15   4.602  -5.535  48.484
  157    H2*    G  15           H2*        G  15   4.735  -7.480  47.016
  158   2HO*    G  15          2HO*        G  15   6.235  -8.934  47.110
  159    H1*    G  15           H1*        G  15   4.369  -9.491  48.786
  160    H8     G  15           H8         G  15   1.969  -7.618  50.624
  161    H1     G  15           H1         G  15  -0.030  -8.538  44.603
  162   1H2     G  15          1H2         G  15   1.694  -9.160  43.284
  163   2H2     G  15          2H2         G  15   3.262  -9.321  43.959
  164   1H5*    C  16          1H5*        C  16   7.879  -5.499  45.990
  165   2H5*    C  16          2H5*        C  16   8.110  -3.859  45.384
  166    H4*    C  16           H4*        C  16   7.664  -5.418  43.647
  167    H3*    C  16           H3*        C  16   5.573  -3.215  43.999
  168    H2*    C  16           H2*        C  16   4.410  -4.203  42.054
  169   2HO*    C  16          2HO*        C  16   5.305  -5.524  40.695
  170    H1*    C  16           H1*        C  16   4.680  -6.828  42.783
  171   1H4     C  16          1H4         C  16  -1.039  -5.244  44.989
  172   2H4     C  16          2H4         C  16  -0.347  -4.850  46.526
  173    H5     C  16           H5         C  16   2.041  -4.838  46.944
  174    H6     C  16           H6         C  16   4.239  -5.214  45.920
  175   1H5*    G  17          1H5*        G  17   6.210  -3.270  39.807
  176   2H5*    G  17          2H5*        G  17   6.510  -1.567  39.459
  177    H4*    G  17           H4*        G  17   4.891  -2.382  37.998
  178    H3*    G  17           H3*        G  17   3.756  -0.400  40.024
  179    H2*    G  17           H2*        G  17   1.576  -0.697  38.885
  180   2HO*    G  17          2HO*        G  17   1.352  -1.509  36.974
  181    H1*    G  17           H1*        G  17   1.662  -3.413  38.663
  182    H8     G  17           H8         G  17   3.174  -2.393  42.049
  183    H1     G  17           H1         G  17  -3.192  -3.146  41.950
  184   1H2     G  17          1H2         G  17  -3.920  -3.431  39.832
  185   2H2     G  17          2H2         G  17  -2.793  -3.422  38.540
  186   1H5*    C  18          1H5*        C  18   2.334   0.779  36.131
  187   2H5*    C  18          2H5*        C  18   2.306   2.542  36.182
  188    H4*    C  18           H4*        C  18   0.225   1.540  35.517
  189    H3*    C  18           H3*        C  18   0.177   3.297  38.018
  190    H2*    C  18           H2*        C  18  -2.250   2.866  38.111
  191   2HO*    C  18          2HO*        C  18  -3.387   2.240  36.491
  192    H1*    C  18           H1*        C  18  -2.157   0.189  37.508
  193   1H4     C  18          1H4         C  18  -2.393   0.025  43.806
  194   2H4     C  18          2H4         C  18  -0.717   0.439  43.933
  195    H5     C  18           H5         C  18   0.669   0.972  42.016
  196    H6     C  18           H6         C  18   0.677   1.205  39.573
  197   1H5*    G  19          1H5*        G  19  -3.083   4.770  35.713
  198   2H5*    G  19          2H5*        G  19  -3.079   6.506  36.025
  199    H4*    G  19           H4*        G  19  -5.157   5.410  36.542
  200    H3*    G  19           H3*        G  19  -3.747   6.866  38.831
  201    H2*    G  19           H2*        G  19  -5.663   6.224  40.244
  202   2HO*    G  19          2HO*        G  19  -7.530   5.662  39.503
  203    H1*    G  19           H1*        G  19  -5.941   3.651  39.315
  204    H8     G  19           H8         G  19  -2.202   4.320  39.730
  205    H1     G  19           H1         G  19  -5.277   2.576  45.080
  206   1H2     G  19          1H2         G  19  -7.508   2.574  44.743
  207   2H2     G  19          2H2         G  19  -8.134   3.006  43.205
  208   1H5*    C  20          1H5*        C  20  -7.804   8.157  39.079
  209   2H5*    C  20          2H5*        C  20  -7.662   9.881  39.425
  210    H4*    C  20           H4*        C  20  -9.047   8.702  40.977
  211    H3*    C  20           H3*        C  20  -6.570  10.068  42.139
  212    H2*    C  20           H2*        C  20  -7.327   9.285  44.344
  213   2HO*    C  20          2HO*        C  20  -9.436   9.777  44.169
  214    H1*    C  20           H1*        C  20  -8.152   6.771  43.568
  215   1H4     C  20          1H4         C  20  -2.426   5.415  45.805
  216   2H4     C  20          2H4         C  20  -1.644   6.259  44.512
  217    H5     C  20           H5         C  20  -2.851   7.472  42.795
  218    H6     C  20           H6         C  20  -5.088   8.100  42.006
  219   1H5*    A  21          1H5*        A  21  -6.934  13.862  44.653
  220   2H5*    A  21          2H5*        A  21  -5.968  12.413  44.933
  221    H4*    A  21           H4*        A  21  -8.327  13.398  46.488
  222    H3*    A  21           H3*        A  21  -5.395  13.538  47.131
  223    H2*    A  21           H2*        A  21  -5.860  12.704  49.366
  224   2HO*    A  21          2HO*        A  21  -7.762  12.723  50.282
  225    H1*    A  21           H1*        A  21  -7.559  10.663  48.858
  226    H8     A  21           H8         A  21  -5.540  10.178  45.832
  227   1H6     A  21          1H6         A  21  -1.230   7.582  49.402
  228   2H6     A  21          2H6         A  21  -1.770   7.841  47.779
  229    H2     A  21           H2         A  21  -4.192   9.657  52.059
  230   1H5*    C  22          1H5*        C  22  -7.291  15.051  50.485
  231   2H5*    C  22          2H5*        C  22  -6.623  16.670  50.687
  232    H4*    C  22           H4*        C  22  -6.707  15.276  52.709
  233    H3*    C  22           H3*        C  22  -4.117  16.607  51.866
  234    H2*    C  22           H2*        C  22  -3.020  15.491  53.772
  235   2HO*    C  22          2HO*        C  22  -4.563  15.771  55.273
  236    H1*    C  22           H1*        C  22  -4.042  13.007  53.440
  237   1H4     C  22          1H4         C  22   1.286  13.129  49.964
  238   2H4     C  22          2H4         C  22   0.295  13.020  48.548
  239    H5     C  22           H5         C  22  -2.122  13.189  48.603
  240    H6     C  22           H6         C  22  -4.060  13.503  50.076
  241   1H5*    G  23          1H5*        G  23  -3.129  20.044  55.524
  242   2H5*    G  23          2H5*        G  23  -2.091  19.812  54.118
  243    H4*    G  23           H4*        G  23  -1.943  18.649  56.835
  244    H3*    G  23           H3*        G  23   0.027  20.270  55.193
  245    H2*    G  23           H2*        G  23   1.838  18.946  56.222
  246   2HO*    G  23          2HO*        G  23   1.635  17.850  57.974
  247    H1*    G  23           H1*        G  23   0.752  16.482  55.944
  248    H8     G  23           H8         G  23  -0.551  17.551  52.726
  249    H1     G  23           H1         G  23   5.857  17.338  52.737
  250   1H2     G  23          1H2         G  23   6.639  17.231  54.852
  251   2H2     G  23          2H2         G  23   5.536  17.216  56.165
  252   1H5*    G  24          1H5*        G  24   1.530  21.650  58.772
  253   2H5*    G  24          2H5*        G  24   1.836  23.375  58.560
  254    H4*    G  24           H4*        G  24   3.812  22.030  58.928
  255    H3*    G  24           H3*        G  24   3.676  23.690  56.367
  256    H2*    G  24           H2*        G  24   5.943  22.828  55.858
  257   2HO*    G  24          2HO*        G  24   7.227  22.040  57.272
  258    H1*    G  24           H1*        G  24   5.482  20.221  56.515
  259    H8     G  24           H8         G  24   2.223  20.951  54.873
  260    H1     G  24           H1         G  24   7.100  20.486  50.737
  261   1H2     G  24          1H2         G  24   9.072  20.534  51.832
  262   2H2     G  24          2H2         G  24   9.089  20.677  53.542
  263   1H5*    C  25          1H5*        C  25   7.286  25.295  57.941
  264   2H5*    C  25          2H5*        C  25   7.110  27.035  57.709
  265    H4*    C  25           H4*        C  25   9.099  26.178  56.727
  266    H3*    C  25           H3*        C  25   7.090  27.400  54.773
  267    H2*    C  25           H2*        C  25   8.749  26.921  52.998
  268   2HO*    C  25          2HO*        C  25  10.760  26.624  53.345
  269    H1*    C  25           H1*        C  25   9.417  24.401  53.817
  270   1H4     C  25          1H4         C  25   4.889  23.343  49.531
  271   2H4     C  25          2H4         C  25   3.675  23.422  50.763
  272    H5     C  25           H5         C  25   4.153  24.029  53.060
  273    H6     C  25           H6         C  25   5.937  24.684  54.614
  274   1H5*    A  26          1H5*        A  26  10.949  29.216  53.855
  275   2H5*    A  26          2H5*        A  26  10.514  30.899  53.557
  276    H4*    A  26           H4*        A  26  11.855  29.898  51.825
  277    H3*    A  26           H3*        A  26   9.116  30.985  51.014
  278    H2*    A  26           H2*        A  26   9.702  30.317  48.701
  279   2HO*    A  26          2HO*        A  26  11.743  30.948  48.590
  280    H1*    A  26           H1*        A  26  10.733  27.861  49.300
  281    H8     A  26           H8         A  26   7.758  28.228  51.613
  282   1H6     A  26          1H6         A  26   4.332  26.198  46.901
  283   2H6     A  26          2H6         A  26   4.350  26.584  48.587
  284    H2     A  26           H2         A  26   8.471  27.025  45.375
  285   1H5*    A  27          1H5*        A  27  11.670  33.459  48.209
  286   2H5*    A  27          2H5*        A  27  10.470  34.695  47.833
  287    H4*    A  27           H4*        A  27  11.400  33.023  46.090
  288    H3*    A  27           H3*        A  27   8.549  34.130  46.153
  289    H2*    A  27           H2*        A  27   8.069  32.717  44.219
  290   2HO*    A  27          2HO*        A  27   9.546  31.913  42.934
  291    H1*    A  27           H1*        A  27   9.572  30.511  44.991
  292    H8     A  27           H8         A  27   7.745  31.143  48.133
  293   1H6     A  27          1H6         A  27   2.762  28.604  45.527
  294   2H6     A  27          2H6         A  27   3.477  29.148  47.006
  295    H2     A  27           H2         A  27   5.793  29.375  42.307
  296   1H5*    G  28          1H5*        G  28   9.337  34.475  42.071
  297   2H5*    G  28          2H5*        G  28   8.935  36.161  41.745
  298    H4*    G  28           H4*        G  28   7.821  34.763  40.238
  299    H3*    G  28           H3*        G  28   5.938  36.150  42.205
  300    H2*    G  28           H2*        G  28   4.088  35.034  40.991
  301   2HO*    G  28          2HO*        G  28   4.557  35.184  38.968
  302    H1*    G  28           H1*        G  28   5.241  32.567  40.795
  303    H8     G  28           H8         G  28   6.200  33.800  44.259
  304    H1     G  28           H1         G  28   0.290  31.356  43.806
  305   1H2     G  28          1H2         G  28  -0.269  31.037  41.643
  306   2H2     G  28          2H2         G  28   0.851  31.444  40.409
  307   1H5*    A  29          1H5*        A  29   3.123  39.321  38.753
  308   2H5*    A  29          2H5*        A  29   2.750  38.669  40.348
  309    H4*    A  29           H4*        A  29   2.254  37.368  37.702
  310    H3*    A  29           H3*        A  29   0.562  39.285  38.635
  311    H2*    A  29           H2*        A  29   0.004  38.242  40.782
  312   2HO*    A  29          2HO*        A  29  -1.914  37.061  40.469
  313    H1*    A  29           H1*        A  29  -0.170  35.554  39.370
  314    H8     A  29           H8         A  29   2.448  36.026  42.067
  315   1H6     A  29          1H6         A  29  -1.493  33.124  45.822
  316   2H6     A  29          2H6         A  29   0.113  33.742  45.643
  317    H2     A  29           H2         A  29  -3.620  34.019  41.974
  318   1H5*    G  30          1H5*        G  30  -4.400  37.879  36.523
  319   2H5*    G  30          2H5*        G  30  -4.004  38.815  37.964
  320    H4*    G  30           H4*        G  30  -4.689  35.935  37.756
  321    H3*    G  30           H3*        G  30  -6.703  37.660  37.873
  322    H2*    G  30           H2*        G  30  -5.776  39.160  39.654
  323   2HO*    G  30          2HO*        G  30  -6.987  38.712  41.470
  324    H1*    G  30           H1*        G  30  -5.352  36.695  41.351
  325    H8     G  30           H8         G  30  -3.077  39.581  39.980
  326    H1     G  30           H1         G  30  -3.098  38.622  46.320
  327   1H2     G  30          1H2         G  30  -4.491  36.931  46.858
  328   2H2     G  30          2H2         G  30  -5.351  36.114  45.620
  329   1H5*    G  31          1H5*        G  31 -10.355  34.383  38.147
  330   2H5*    G  31          2H5*        G  31 -11.122  35.955  38.370
  331    H4*    G  31           H4*        G  31  -9.402  34.372  40.179
  332    H3*    G  31           H3*        G  31 -12.176  35.187  40.327
  333    H2*    G  31           H2*        G  31 -11.850  37.056  41.708
  334   2HO*    G  31          2HO*        G  31 -11.382  36.580  43.821
  335    H1*    G  31           H1*        G  31  -9.090  36.098  42.578
  336    H8     G  31           H8         G  31  -9.850  39.217  40.439
  337    H1     G  31           H1         G  31  -8.000  40.236  46.493
  338   1H2     G  31          1H2         G  31  -7.865  38.283  47.617
  339   2H2     G  31          2H2         G  31  -8.239  36.816  46.813
  340   1H5*    C  32          1H5*        C  32 -14.661  34.636  41.539
  341   2H5*    C  32          2H5*        C  32 -13.056  34.556  42.265
  342    H4*    C  32           H4*        C  32 -15.464  32.902  42.825
  343    H3*    C  32           H3*        C  32 -14.034  34.971  44.526
  344    H2*    C  32           H2*        C  32 -14.492  33.536  46.485
  345   2HO*    C  32          2HO*        C  32 -16.519  32.941  46.054
  346    H1*    C  32           H1*        C  32 -13.756  31.159  45.416
  347   1H4     C  32          1H4         C  32  -8.277  33.091  47.856
  348   2H4     C  32          2H4         C  32  -7.948  34.065  46.463
  349    H5     C  32           H5         C  32  -9.523  34.355  44.644
  350    H6     C  32           H6         C  32 -11.754  33.738  43.828
  351   1H5*    G  33          1H5*        G  33 -17.802  35.282  46.461
  352   2H5*    G  33          2H5*        G  33 -17.866  36.934  47.075
  353    H4*    G  33           H4*        G  33 -17.798  35.150  48.748
  354    H3*    G  33           H3*        G  33 -15.728  37.394  48.879
  355    H2*    G  33           H2*        G  33 -14.864  36.277  50.914
  356   2HO*    G  33          2HO*        G  33 -15.931  34.857  52.016
  357    H1*    G  33           H1*        G  33 -14.922  33.720  49.957
  358    H8     G  33           H8         G  33 -13.765  35.804  47.001
  359    H1     G  33           H1         G  33  -9.190  34.427  51.278
  360   1H2     G  33          1H2         G  33 -10.096  33.543  53.146
  361   2H2     G  33          2H2         G  33 -11.795  33.332  53.247
  362   1H5*    U  34          1H5*        U  34 -17.590  37.138  52.858
  363   2H5*    U  34          2H5*        U  34 -17.414  38.763  53.519
  364    H4*    U  34           H4*        U  34 -16.465  36.866  54.804
  365    H3*    U  34           H3*        U  34 -14.792  39.356  54.221
  366    H2*    U  34           H2*        U  34 -12.982  38.258  55.511
  367   2HO*    U  34          2HO*        U  34 -13.277  36.613  56.789
  368    H1*    U  34           H1*        U  34 -13.236  35.771  54.414
  369    H3     U  34           H3         U  34  -9.426  37.177  52.556
  370    H5     U  34           H5         U  34 -12.411  39.082  50.311
  371    H6     U  34           H6         U  34 -14.032  38.240  51.877
  372   1H5*    C  35          1H5*        C  35 -14.223  39.249  58.441
  373   2H5*    C  35          2H5*        C  35 -14.584  40.914  58.892
  374    H4*    C  35           H4*        C  35 -12.493  40.265  59.723
  375    H3*    C  35           H3*        C  35 -12.325  42.413  57.550
  376    H2*    C  35           H2*        C  35  -9.896  42.402  57.897
  377   2HO*    C  35          2HO*        C  35  -8.940  41.550  59.609
  378    H1*    C  35           H1*        C  35  -9.586  39.673  58.206
  379   1H4     C  35          1H4         C  35  -7.888  40.652  52.196
  380   2H4     C  35          2H4         C  35  -9.537  40.531  51.681
  381    H5     C  35           H5         C  35 -11.397  40.320  53.221
  382    H6     C  35           H6         C  35 -12.007  40.184  55.594
  383    H3T    C  35           H3T        C  35 -11.489  43.195  59.805
  384   1H5*    G  36          1H5*        G  36   2.775  40.949  51.040
  385   2H5*    G  36          2H5*        G  36   1.239  41.554  50.374
  386    H4*    G  36           H4*        G  36   2.210  41.770  53.188
  387    H3*    G  36           H3*        G  36   0.217  39.785  52.010
  388    H2*    G  36           H2*        G  36  -1.057  40.012  54.122
  389   2HO*    G  36          2HO*        G  36  -0.273  40.837  55.887
  390    H1*    G  36           H1*        G  36  -0.925  42.725  54.327
  391    H8     G  36           H8         G  36  -1.376  42.412  50.629
  392    H1     G  36           H1         G  36  -6.718  41.256  53.979
  393   1H2     G  36          1H2         G  36  -6.238  41.008  56.171
  394   2H2     G  36          2H2         G  36  -4.613  41.143  56.703
  395    H5T    G  36           H5T        G  36   2.982  43.029  50.072
  396   1H5*    A  37          1H5*        A  37   0.604  38.512  55.975
  397   2H5*    A  37          2H5*        A  37   1.045  36.813  55.796
  398    H4*    A  37           H4*        A  37  -0.700  37.045  57.338
  399    H3*    A  37           H3*        A  37  -1.539  35.626  54.763
  400    H2*    A  37           H2*        A  37  -3.770  35.370  55.800
  401   2HO*    A  37          2HO*        A  37  -4.099  35.406  57.823
  402    H1*    A  37           H1*        A  37  -3.966  37.896  56.834
  403    H8     A  37           H8         A  37  -2.388  38.491  53.470
  404   1H6     A  37          1H6         A  37  -8.083  38.183  51.119
  405   2H6     A  37          2H6         A  37  -6.430  38.582  50.802
  406    H2     A  37           H2         A  37  -8.252  36.821  55.392
  407   1H5*    C  38          1H5*        C  38  -2.943  33.132  57.872
  408   2H5*    C  38          2H5*        C  38  -2.671  31.483  57.308
  409    H4*    C  38           H4*        C  38  -4.937  31.974  57.983
  410    H3*    C  38           H3*        C  38  -4.494  30.983  55.122
  411    H2*    C  38           H2*        C  38  -6.919  31.094  54.826
  412   2HO*    C  38          2HO*        C  38  -8.312  31.112  56.412
  413    H1*    C  38           H1*        C  38  -7.360  33.424  56.269
  414   1H4     C  38          1H4         C  38  -7.554  35.295  50.225
  415   2H4     C  38          2H4         C  38  -5.846  35.581  50.242
  416    H5     C  38           H5         C  38  -4.422  35.004  52.117
  417    H6     C  38           H6         C  38  -4.397  34.022  54.365
  418   1H5*    G  39          1H5*        G  39  -5.658  26.697  56.271
  419   2H5*    G  39          2H5*        G  39  -4.589  25.973  55.070
  420    H4*    G  39           H4*        G  39  -7.021  25.686  54.764
  421    H3*    G  39           H3*        G  39  -5.292  26.726  52.466
  422    H2*    G  39           H2*        G  39  -7.354  26.775  51.115
  423   2HO*    G  39          2HO*        G  39  -8.190  24.860  51.721
  424    H1*    G  39           H1*        G  39  -9.017  27.805  53.044
  425    H8     G  39           H8         G  39  -5.733  29.722  53.305
  426    H1     G  39           H1         G  39  -9.730  31.792  48.740
  427   1H2     G  39          1H2         G  39 -11.436  30.339  48.467
  428   2H2     G  39          2H2         G  39 -11.506  28.923  49.431
  429   1H5*    G  40          1H5*        G  40  -4.959  24.661  48.498
  430   2H5*    G  40          2H5*        G  40  -4.594  26.187  49.304
  431    H4*    G  40           H4*        G  40  -7.237  25.516  48.087
  432    H3*    G  40           H3*        G  40  -4.854  26.608  46.599
  433    H2*    G  40           H2*        G  40  -6.296  28.324  45.626
  434   2HO*    G  40          2HO*        G  40  -8.412  28.242  45.610
  435    H1*    G  40           H1*        G  40  -7.661  29.133  47.815
  436    H8     G  40           H8         G  40  -4.862  28.927  49.942
  437    H1     G  40           H1         G  40  -3.633  32.979  45.127
  438   1H2     G  40          1H2         G  40  -5.098  32.668  43.439
  439   2H2     G  40          2H2         G  40  -6.316  31.470  43.584
  440   1H5*    C  41          1H5*        C  41  -6.759  26.065  43.166
  441   2H5*    C  41          2H5*        C  41  -5.766  24.971  42.200
  442    H4*    C  41           H4*        C  41  -6.133  27.036  41.095
  443    H3*    C  41           H3*        C  41  -3.232  26.440  41.816
  444    H2*    C  41           H2*        C  41  -2.653  28.597  40.747
  445   2HO*    C  41          2HO*        C  41  -3.915  28.509  39.003
  446    H1*    C  41           H1*        C  41  -4.635  30.094  41.856
  447   1H4     C  41          1H4         C  41   0.265  30.693  45.850
  448   2H4     C  41          2H4         C  41  -0.514  29.588  46.931
  449    H5     C  41           H5         C  41  -2.530  28.369  46.360
  450    H6     C  41           H6         C  41  -4.193  27.993  44.595
  451   1H5*    U  42          1H5*        U  42  -2.290  26.275  37.802
  452   2H5*    U  42          2H5*        U  42  -1.817  24.601  37.508
  453    H4*    U  42           H4*        U  42  -0.060  25.871  36.825
  454    H3*    U  42           H3*        U  42   0.601  24.647  39.549
  455    H2*    U  42           H2*        U  42   2.798  25.763  39.359
  456   2HO*    U  42          2HO*        U  42   3.573  26.553  37.555
  457    H1*    U  42           H1*        U  42   1.889  28.169  38.420
  458    H3     U  42           H3         U  42   3.281  28.948  42.641
  459    H5     U  42           H5         U  42  -0.698  27.683  43.019
  460    H6     U  42           H6         U  42  -0.670  27.119  40.680
  461   1H5*    U  43          1H5*        U  43   3.917  23.977  37.359
  462   2H5*    U  43          2H5*        U  43   4.491  22.339  37.674
  463    H4*    U  43           H4*        U  43   6.140  24.032  38.043
  464    H3*    U  43           H3*        U  43   5.384  22.313  40.456
  465    H2*    U  43           H2*        U  43   6.997  23.570  41.760
  466   2HO*    U  43          2HO*        U  43   8.657  24.555  40.957
  467    H1*    U  43           H1*        U  43   6.620  26.060  40.542
  468    H3     U  43           H3         U  43   5.645  26.512  44.949
  469    H5     U  43           H5         U  43   2.090  25.237  43.128
  470    H6     U  43           H6         U  43   3.345  24.833  41.116
  471   1H5*    G  44          1H5*        G  44   9.738  22.315  39.912
  472   2H5*    G  44          2H5*        G  44  10.214  20.642  40.207
  473    H4*    G  44           H4*        G  44  11.597  22.207  41.357
  474    H3*    G  44           H3*        G  44  10.014  20.277  43.109
  475    H2*    G  44           H2*        G  44  11.087  21.365  45.058
  476   2HO*    G  44          2HO*        G  44  12.800  22.555  44.941
  477    H1*    G  44           H1*        G  44  10.758  23.945  44.256
  478    H8     G  44           H8         G  44   7.601  22.093  43.159
  479    H1     G  44           H1         G  44   7.646  24.056  49.263
  480   1H2     G  44          1H2         G  44   9.698  24.797  49.839
  481   2H2     G  44          2H2         G  44  10.964  24.773  48.682
  482   1H5*    C  45          1H5*        C  45  13.817  19.976  44.810
  483   2H5*    C  45          2H5*        C  45  14.090  18.239  44.943
  484    H4*    C  45           H4*        C  45  14.450  19.317  47.003
  485    H3*    C  45           H3*        C  45  12.057  17.413  46.994
  486    H2*    C  45           H2*        C  45  11.780  17.969  49.383
  487   2HO*    C  45          2HO*        C  45  13.280  18.758  50.578
  488    H1*    C  45           H1*        C  45  12.212  20.670  49.167
  489   1H4     C  45          1H4         C  45   5.912  20.327  48.972
  490   2H4     C  45          2H4         C  45   5.943  19.959  47.281
  491    H5     C  45           H5         C  45   7.993  19.603  46.037
  492    H6     C  45           H6         C  45  10.440  19.538  46.214
  493   1H5*    U  46          1H5*        U  46  14.053  16.045  50.392
  494   2H5*    U  46          2H5*        U  46  13.838  14.295  50.361
  495    H4*    U  46           H4*        U  46  12.989  15.356  52.344
  496    H3*    U  46           H3*        U  46  10.987  13.790  50.645
  497    H2*    U  46           H2*        U  46   9.301  14.359  52.367
  498   2HO*    U  46          2HO*        U  46   9.765  14.909  54.299
  499    H1*    U  46           H1*        U  46   9.999  16.984  52.681
  500    H3     U  46           H3         U  46   6.088  17.298  50.532
  501    H5     U  46           H5         U  46   8.855  16.435  47.502
  502    H6     U  46           H6         U  46  10.516  16.095  49.209
  503   1H5*    G  47          1H5*        G  47  10.566  12.586  54.753
  504   2H5*    G  47          2H5*        G  47  10.255  10.852  54.701
  505    H4*    G  47           H4*        G  47   8.698  12.260  55.995
  506    H3*    G  47           H3*        G  47   7.720  10.249  53.958
  507    H2*    G  47           H2*        G  47   5.533  11.070  54.019
  508   2HO*    G  47          2HO*        G  47   4.555  11.677  55.799
  509    H1*    G  47           H1*        G  47   6.104  13.649  55.235
  510    H8     G  47           H8         G  47   7.359  13.796  51.742
  511    H1     G  47           H1         G  47   0.990  14.399  52.162
  512   1H2     G  47          1H2         G  47   0.276  13.810  54.221
  513   2H2     G  47          2H2         G  47   1.412  13.296  55.398
  514   1H5*    A  48          1H5*        A  48   6.891   8.925  57.978
  515   2H5*    A  48          2H5*        A  48   6.685   7.211  58.339
  516    H4*    A  48           H4*        A  48   4.635   8.521  58.256
  517    H3*    A  48           H3*        A  48   4.961   6.013  56.667
  518    H2*    A  48           H2*        A  48   3.327   6.522  55.117
  519   2HO*    A  48          2HO*        A  48   1.347   7.394  55.789
  520    H1*    A  48           H1*        A  48   2.741   9.257  56.124
  521    H8     A  48           H8         A  48   5.449   8.430  53.497
  522   1H6     A  48          1H6         A  48   1.404  10.681  49.418
  523   2H6     A  48          2H6         A  48   3.008  10.075  49.650
  524    H2     A  48           H2         A  48  -0.587  10.536  53.438
  525   1H5*    A  49          1H5*        A  49   2.859   2.609  58.312
  526   2H5*    A  49          2H5*        A  49   3.511   2.204  56.725
  527    H4*    A  49           H4*        A  49   1.410   4.132  57.509
  528    H3*    A  49           H3*        A  49   1.346   1.670  55.951
  529    H2*    A  49           H2*        A  49   1.279   2.689  53.851
  530   2HO*    A  49          2HO*        A  49  -1.006   3.951  54.886
  531    H1*    A  49           H1*        A  49   0.572   5.417  55.005
  532    H8     A  49           H8         A  49   3.964   4.620  53.439
  533   1H6     A  49          1H6         A  49   1.945   7.965  48.666
  534   2H6     A  49          2H6         A  49   3.299   7.143  49.359
  535    H2     A  49           H2         A  49  -1.463   7.411  51.534
  536   1H5*    G  50          1H5*        G  50  -3.742   0.941  54.885
  537   2H5*    G  50          2H5*        G  50  -2.547   1.851  53.959
  538    H4*    G  50           H4*        G  50  -4.873   3.097  55.352
  539    H3*    G  50           H3*        G  50  -4.981   1.790  52.639
  540    H2*    G  50           H2*        G  50  -6.074   3.788  51.759
  541   2HO*    G  50          2HO*        G  50  -7.037   5.230  52.935
  542    H1*    G  50           H1*        G  50  -4.530   5.728  52.837
  543    H8     G  50           H8         G  50  -1.568   3.813  52.377
  544    H1     G  50           H1         G  50  -4.369   5.003  46.734
  545   1H2     G  50          1H2         G  50  -6.507   5.656  47.036
  546   2H2     G  50          2H2         G  50  -7.143   5.770  48.626
  547   1H5*    C  51          1H5*        C  51  -9.063   1.835  53.128
  548   2H5*    C  51          2H5*        C  51  -9.686   0.219  52.798
  549    H4*    C  51           H4*        C  51 -10.538   1.860  51.301
  550    H3*    C  51           H3*        C  51  -8.867  -0.357  50.020
  551    H2*    C  51           H2*        C  51  -9.361   0.713  47.850
  552   2HO*    C  51          2HO*        C  51 -10.916   2.089  47.541
  553    H1*    C  51           H1*        C  51  -8.991   3.311  48.647
  554   1H4     C  51          1H4         C  51  -3.414   1.700  46.117
  555   2H4     C  51          2H4         C  51  -2.831   1.231  47.679
  556    H5     C  51           H5         C  51  -4.230   1.172  49.657
  557    H6     C  51           H6         C  51  -6.502   1.567  50.497
  558   1H5*    G  52          1H5*        G  52 -12.256  -0.114  47.463
  559   2H5*    G  52          2H5*        G  52 -12.767  -1.800  47.388
  560    H4*    G  52           H4*        G  52 -12.615  -0.957  45.229
  561    H3*    G  52           H3*        G  52 -10.417  -2.988  45.836
  562    H2*    G  52           H2*        G  52  -9.666  -2.662  43.496
  563   2HO*    G  52          2HO*        G  52 -10.834  -1.765  42.001
  564    H1*    G  52           H1*        G  52  -9.842   0.060  43.450
  565    H8     G  52           H8         G  52  -8.536  -1.096  46.886
  566    H1     G  52           H1         G  52  -4.090  -0.194  42.356
  567   1H2     G  52          1H2         G  52  -5.065   0.181  40.355
  568   2H2     G  52          2H2         G  52  -6.776   0.194  40.235
  569   1H5*    C  53          1H5*        C  53 -12.172  -4.020  42.025
  570   2H5*    C  53          2H5*        C  53 -12.118  -5.782  41.975
  571    H4*    C  53           H4*        C  53 -11.105  -4.682  40.080
  572    H3*    C  53           H3*        C  53  -9.343  -6.565  41.724
  573    H2*    C  53           H2*        C  53  -7.546  -6.080  40.110
  574   2HO*    C  53          2HO*        C  53  -7.864  -5.354  38.191
  575    H1*    C  53           H1*        C  53  -8.000  -3.378  39.874
  576   1H4     C  53          1H4         C  53  -3.361  -3.491  44.143
  577   2H4     C  53          2H4         C  53  -4.456  -3.955  45.400
  578    H5     C  53           H5         C  53  -6.799  -4.438  45.009
  579    H6     C  53           H6         C  53  -8.543  -4.561  43.287
  580   1H5*    G  54          1H5*        G  54  -8.666  -7.844  37.728
  581   2H5*    G  54          2H5*        G  54  -8.501  -9.595  37.863
  582    H4*    G  54           H4*        G  54  -6.625  -8.508  36.833
  583    H3*    G  54           H3*        G  54  -6.068 -10.088  39.391
  584    H2*    G  54           H2*        G  54  -3.697  -9.496  39.086
  585   2HO*    G  54          2HO*        G  54  -2.862  -8.888  37.275
  586    H1*    G  54           H1*        G  54  -4.079  -6.880  38.318
  587    H8     G  54           H8         G  54  -6.452  -7.600  41.227
  588    H1     G  54           H1         G  54  -0.462  -6.042  42.902
  589   1H2     G  54          1H2         G  54   0.881  -6.004  41.088
  590   2H2     G  54          2H2         G  54   0.229  -6.366  39.543
  591   1H5*    C  55          1H5*        C  55  -3.044 -11.356  36.650
  592   2H5*    C  55          2H5*        C  55  -2.936 -13.092  36.936
  593    H4*    C  55           H4*        C  55  -0.836 -11.957  37.097
  594    H3*    C  55           H3*        C  55  -1.798 -13.402  39.616
  595    H2*    C  55           H2*        C  55   0.311 -12.698  40.671
  596   2HO*    C  55          2HO*        C  55   1.672 -13.150  39.043
  597    H1*    C  55           H1*        C  55   0.391 -10.143  39.641
  598   1H4     C  55          1H4         C  55  -2.080  -8.966  45.310
  599   2H4     C  55          2H4         C  55  -3.559  -9.773  44.911
  600    H5     C  55           H5         C  55  -3.929 -10.899  42.798
  601    H6     C  55           H6         C  55  -2.907 -11.459  40.638
  602   1H5*    A  56          1H5*        A  56   0.193 -17.278  41.001
  603   2H5*    A  56          2H5*        A  56  -0.289 -15.860  41.932
  604    H4*    A  56           H4*        A  56   2.476 -16.836  41.338
  605    H3*    A  56           H3*        A  56   0.847 -17.071  43.851
  606    H2*    A  56           H2*        A  56   2.750 -16.291  45.143
  607   2HO*    A  56          2HO*        A  56   4.743 -16.317  44.471
  608    H1*    A  56           H1*        A  56   3.607 -14.193  43.669
  609    H8     A  56           H8         A  56   0.053 -13.656  42.950
  610   1H6     A  56          1H6         A  56  -0.510 -11.303  48.626
  611   2H6     A  56          2H6         A  56  -1.261 -11.490  47.079
  612    H2     A  56           H2         A  56   3.453 -13.395  48.358
  613   1H5*    C  57          1H5*        C  57   4.432 -18.683  44.814
  614   2H5*    C  57          2H5*        C  57   4.145 -20.332  45.368
  615    H4*    C  57           H4*        C  57   5.607 -18.982  46.793
  616    H3*    C  57           H3*        C  57   3.178 -20.352  47.980
  617    H2*    C  57           H2*        C  57   3.729 -19.288  50.134
  618   2HO*    C  57          2HO*        C  57   5.886 -19.562  50.106
  619    H1*    C  57           H1*        C  57   4.216 -16.776  49.251
  620   1H4     C  57          1H4         C  57  -2.022 -16.955  50.494
  621   2H4     C  57          2H4         C  57  -2.307 -16.800  48.794
  622    H5     C  57           H5         C  57  -0.541 -16.918  47.137
  623    H6     C  57           H6         C  57   1.875 -17.214  46.823
  624   1H5*    G  58          1H5*        G  58   4.823 -23.931  51.127
  625   2H5*    G  58          2H5*        G  58   3.123 -23.560  50.841
  626    H4*    G  58           H4*        G  58   4.973 -22.562  52.934
  627    H3*    G  58           H3*        G  58   2.401 -24.160  53.102
  628    H2*    G  58           H2*        G  58   1.863 -22.911  55.162
  629   2HO*    G  58          2HO*        G  58   3.259 -21.872  56.297
  630    H1*    G  58           H1*        G  58   2.464 -20.418  54.296
  631    H8     G  58           H8         G  58   1.096 -21.345  51.060
  632    H1     G  58           H1         G  58  -3.422 -21.252  55.607
  633   1H2     G  58          1H2         G  58  -2.479 -21.235  57.657
  634   2H2     G  58          2H2         G  58  -0.770 -21.246  57.804
  635   1H5*    G  59          1H5*        G  59   3.798 -25.585  56.703
  636   2H5*    G  59          2H5*        G  59   3.430 -27.309  56.729
  637    H4*    G  59           H4*        G  59   2.290 -26.014  58.418
  638    H3*    G  59           H3*        G  59   0.574 -27.605  56.458
  639    H2*    G  59           H2*        G  59  -1.392 -26.766  57.712
  640   2HO*    G  59          2HO*        G  59  -1.308 -26.066  59.644
  641    H1*    G  59           H1*        G  59  -0.592 -24.169  57.925
  642    H8     G  59           H8         G  59   0.586 -24.843  54.453
  643    H1     G  59           H1         G  59  -5.783 -24.281  54.922
  644   1H2     G  59          1H2         G  59  -6.425 -24.360  57.083
  645   2H2     G  59          2H2         G  59  -5.245 -24.546  58.313
  646   1H5*    C  60          1H5*        C  60  -0.969 -29.165  60.110
  647   2H5*    C  60          2H5*        C  60  -1.071 -30.900  59.800
  648    H4*    C  60           H4*        C  60  -3.142 -29.956  60.513
  649    H3*    C  60           H3*        C  60  -3.133 -31.195  57.719
  650    H2*    C  60           H2*        C  60  -5.544 -30.627  57.622
  651   2HO*    C  60          2HO*        C  60  -6.712 -30.298  59.281
  652    H1*    C  60           H1*        C  60  -5.346 -28.103  58.645
  653   1H4     C  60          1H4         C  60  -5.071 -27.122  52.404
  654   2H4     C  60          2H4         C  60  -3.346 -27.264  52.437
  655    H5     C  60           H5         C  60  -2.103 -27.895  54.420
  656    H6     C  60           H6         C  60  -2.315 -28.518  56.784
  657   1H5*    A  61          1H5*        A  61  -6.603 -32.888  59.734
  658   2H5*    A  61          2H5*        A  61  -6.549 -34.572  59.216
  659    H4*    A  61           H4*        A  61  -8.677 -33.528  58.872
  660    H3*    A  61           H3*        A  61  -7.256 -34.577  56.378
  661    H2*    A  61           H2*        A  61  -9.251 -33.836  55.110
  662   2HO*    A  61          2HO*        A  61 -11.103 -33.426  55.977
  663    H1*    A  61           H1*        A  61  -9.546 -31.405  56.318
  664    H8     A  61           H8         A  61  -5.800 -31.849  55.954
  665   1H6     A  61          1H6         A  61  -6.485 -29.626  50.240
  666   2H6     A  61          2H6         A  61  -5.353 -30.078  51.468
  667    H2     A  61           H2         A  61 -10.564 -30.404  51.941
  668   1H5*    A  62          1H5*        A  62 -11.146 -36.354  56.144
  669   2H5*    A  62          2H5*        A  62 -10.892 -37.880  55.296
  670    H4*    A  62           H4*        A  62 -12.457 -36.252  54.300
  671    H3*    A  62           H3*        A  62 -10.218 -37.472  52.607
  672    H2*    A  62           H2*        A  62 -11.091 -36.166  50.726
  673   2HO*    A  62          2HO*        A  62 -13.040 -35.434  50.605
  674    H1*    A  62           H1*        A  62 -11.703 -33.860  52.135
  675    H8     A  62           H8         A  62  -8.274 -34.732  53.365
  676   1H6     A  62          1H6         A  62  -6.086 -32.091  48.237
  677   2H6     A  62          2H6         A  62  -5.684 -32.737  49.791
  678    H2     A  62           H2         A  62 -10.531 -32.538  47.801
  679   1H5*    G  63          1H5*        G  63 -13.614 -38.651  50.027
  680   2H5*    G  63          2H5*        G  63 -12.908 -40.093  49.296
  681    H4*    G  63           H4*        G  63 -13.555 -38.121  47.867
  682    H3*    G  63           H3*        G  63 -10.915 -39.626  47.506
  683    H2*    G  63           H2*        G  63 -10.413 -38.071  45.682
  684   2HO*    G  63          2HO*        G  63 -12.248 -38.028  44.611
  685    H1*    G  63           H1*        G  63 -11.434 -35.781  46.862
  686    H8     G  63           H8         G  63  -9.478 -37.088  49.716
  687    H1     G  63           H1         G  63  -5.773 -34.830  44.994
  688   1H2     G  63          1H2         G  63  -6.985 -34.534  43.114
  689   2H2     G  63          2H2         G  63  -8.658 -34.907  43.115
  690   1H5*    A  64          1H5*        A  64  -9.991 -42.527  44.564
  691   2H5*    A  64          2H5*        A  64 -10.044 -41.068  45.552
  692    H4*    A  64           H4*        A  64 -11.627 -40.662  43.280
  693    H3*    A  64           H3*        A  64  -9.945 -42.450  42.213
  694    H2*    A  64           H2*        A  64  -7.826 -41.492  43.082
  695   2HO*    A  64          2HO*        A  64  -7.012 -40.201  41.304
  696    H1*    A  64           H1*        A  64  -8.753 -38.769  42.129
  697    H8     A  64           H8         A  64  -8.269 -39.318  45.853
  698   1H6     A  64          1H6         A  64  -2.757 -36.647  45.120
  699   2H6     A  64          2H6         A  64  -3.917 -37.233  46.262
  700    H2     A  64           H2         A  64  -4.507 -37.395  41.055
  701   1H5*    G  65          1H5*        G  65  -8.556 -41.457  37.212
  702   2H5*    G  65          2H5*        G  65  -7.712 -42.187  38.577
  703    H4*    G  65           H4*        G  65  -7.407 -39.425  37.530
  704    H3*    G  65           H3*        G  65  -6.168 -41.320  36.145
  705    H2*    G  65           H2*        G  65  -5.304 -42.660  38.080
  706   2HO*    G  65          2HO*        G  65  -3.106 -42.229  38.135
  707    H1*    G  65           H1*        G  65  -4.121 -40.102  39.176
  708    H8     G  65           H8         G  65  -6.659 -42.776  40.511
  709    H1     G  65           H1         G  65  -1.418 -41.691  44.039
  710   1H2     G  65          1H2         G  65  -0.105 -40.146  43.048
  711   2H2     G  65          2H2         G  65  -0.589 -39.452  41.556
  712   1H5*    G  66          1H5*        G  66  -3.612 -38.242  33.217
  713   2H5*    G  66          2H5*        G  66  -2.961 -39.824  32.790
  714    H4*    G  66           H4*        G  66  -2.572 -38.158  35.196
  715    H3*    G  66           H3*        G  66  -0.774 -39.074  33.149
  716    H2*    G  66           H2*        G  66  -0.006 -41.005  34.261
  717   2HO*    G  66          2HO*        G  66   1.522 -40.615  35.725
  718    H1*    G  66           H1*        G  66  -0.881 -39.912  36.972
  719    H8     G  66           H8         G  66  -2.270 -43.024  35.143
  720    H1     G  66           H1         G  66   1.281 -44.070  40.377
  721   1H2     G  66          1H2         G  66   2.170 -42.136  41.128
  722   2H2     G  66          2H2         G  66   1.841 -40.672  40.297
  723   1H5*    C  67          1H5*        C  67   1.656 -38.735  31.896
  724   2H5*    C  67          2H5*        C  67   1.365 -38.544  33.625
  725    H4*    C  67           H4*        C  67   3.158 -36.946  31.860
  726    H3*    C  67           H3*        C  67   3.840 -39.061  33.924
  727    H2*    C  67           H2*        C  67   5.748 -37.653  34.609
  728   2HO*    C  67          2HO*        C  67   6.464 -37.016  32.679
  729    H1*    C  67           H1*        C  67   4.473 -35.267  34.723
  730   1H4     C  67          1H4         C  67   3.584 -37.301  40.615
  731   2H4     C  67          2H4         C  67   2.258 -38.300  40.124
  732    H5     C  67           H5         C  67   1.584 -38.569  37.812
  733    H6     C  67           H6         C  67   2.086 -37.902  35.505
  734   1H5*    G  68          1H5*        G  68   7.553 -39.385  31.715
  735   2H5*    G  68          2H5*        G  68   8.066 -41.033  32.074
  736    H4*    G  68           H4*        G  68   9.456 -39.175  32.932
  737    H3*    G  68           H3*        G  68   8.542 -41.420  34.795
  738    H2*    G  68           H2*        G  68   9.817 -40.259  36.575
  739   2HO*    G  68          2HO*        G  68  11.291 -38.830  36.216
  740    H1*    G  68           H1*        G  68   8.976 -37.724  36.005
  741    H8     G  68           H8         G  68   5.898 -39.891  35.493
  742    H1     G  68           H1         G  68   7.147 -38.382  41.598
  743   1H2     G  68          1H2         G  68   9.191 -37.442  41.776
  744   2H2     G  68          2H2         G  68  10.153 -37.230  40.372
  745   1H5*    U  69          1H5*        U  69  12.903 -41.029  35.317
  746   2H5*    U  69          2H5*        U  69  13.401 -42.652  35.793
  747    H4*    U  69           H4*        U  69  13.974 -40.772  37.298
  748    H3*    U  69           H3*        U  69  12.610 -43.279  38.392
  749    H2*    U  69           H2*        U  69  12.743 -42.203  40.618
  750   2HO*    U  69          2HO*        U  69  13.975 -40.547  41.057
  751    H1*    U  69           H1*        U  69  11.950 -39.703  39.843
  752    H3     U  69           H3         U  69   8.381 -41.139  42.121
  753    H5     U  69           H5         U  69   8.006 -42.980  38.372
  754    H6     U  69           H6         U  69  10.190 -42.138  37.816
  755   1H5*    C  70          1H5*        C  70  15.869 -43.387  41.060
  756   2H5*    C  70          2H5*        C  70  16.390 -45.068  40.953
  757    H4*    C  70           H4*        C  70  15.910 -44.415  43.174
  758    H3*    C  70           H3*        C  70  14.094 -46.599  42.042
  759    H2*    C  70           H2*        C  70  12.924 -46.637  44.155
  760   2HO*    C  70          2HO*        C  70  13.746 -45.912  46.003
  761    H1*    C  70           H1*        C  70  13.157 -43.907  44.781
  762   1H4     C  70          1H4         C  70   7.061 -44.606  43.260
  763   2H4     C  70          2H4         C  70   7.434 -44.427  41.578
  764    H5     C  70           H5         C  70   9.698 -44.265  40.731
  765    H6     C  70           H6         C  70  12.066 -44.247  41.376
  766    H3T    C  70           H3T        C  70  15.475 -47.362  44.026
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   2.550 -49.307  56.777
    2   2H5*    G   1          2H5*        G   1   2.585 -50.230  55.255
    3    H4*    G   1           H4*        G   1   4.878 -49.653  57.085
    4    H3*    G   1           H3*        G   1   4.099 -48.242  54.510
    5    H2*    G   1           H2*        G   1   6.507 -48.155  53.950
    6   2HO*    G   1          2HO*        G   1   8.061 -48.568  55.341
    7    H1*    G   1           H1*        G   1   7.135 -50.718  54.565
    8    H8     G   1           H8         G   1   3.625 -51.007  53.156
    9    H1     G   1           H1         G   1   8.267 -50.539  48.759
   10   1H2     G   1          1H2         G   1  10.223 -49.978  49.732
   11   2H2     G   1          2H2         G   1  10.290 -49.747  51.431
   12    H5T    G   1           H5T        G   1   1.964 -51.515  57.062
   13   1H5*    A   2          1H5*        A   2   7.484 -46.197  55.943
   14   2H5*    A   2          2H5*        A   2   7.022 -44.496  55.866
   15    H4*    A   2           H4*        A   2   9.121 -44.902  54.847
   16    H3*    A   2           H3*        A   2   6.936 -43.903  52.955
   17    H2*    A   2           H2*        A   2   8.642 -43.937  51.178
   18   2HO*    A   2          2HO*        A   2  10.725 -44.029  51.535
   19    H1*    A   2           H1*        A   2   9.822 -46.325  51.866
   20    H8     A   2           H8         A   2   6.151 -47.043  52.244
   21   1H6     A   2          1H6         A   2   6.032 -47.948  46.142
   22   2H6     A   2          2H6         A   2   5.154 -48.108  47.624
   23    H2     A   2           H2         A   2   9.993 -46.134  47.216
   24   1H5*    C   3          1H5*        C   3  10.078 -41.496  51.923
   25   2H5*    C   3          2H5*        C   3   9.426 -39.859  51.869
   26    H4*    C   3           H4*        C   3  10.546 -40.460  49.869
   27    H3*    C   3           H3*        C   3   7.556 -39.893  49.571
   28    H2*    C   3           H2*        C   3   7.795 -40.328  47.193
   29   2HO*    C   3          2HO*        C   3   9.599 -40.168  46.128
   30    H1*    C   3           H1*        C   3   9.692 -42.372  47.368
   31   1H4     C   3          1H4         C   3   4.256 -45.325  46.001
   32   2H4     C   3          2H4         C   3   3.930 -45.521  47.690
   33    H5     C   3           H5         C   3   5.299 -44.534  49.430
   34    H6     C   3           H6         C   3   7.276 -43.144  49.856
   35   1H5*    G   4          1H5*        G   4   9.478 -37.309  46.570
   36   2H5*    G   4          2H5*        G   4   8.619 -35.789  46.820
   37    H4*    G   4           H4*        G   4   8.724 -36.477  44.522
   38    H3*    G   4           H3*        G   4   5.945 -36.150  45.740
   39    H2*    G   4           H2*        G   4   5.048 -36.752  43.511
   40   2HO*    G   4          2HO*        G   4   6.157 -36.691  41.746
   41    H1*    G   4           H1*        G   4   6.715 -38.851  43.015
   42    H8     G   4           H8         G   4   6.002 -39.205  46.711
   43    H1     G   4           H1         G   4   1.303 -41.300  42.884
   44   1H2     G   4          1H2         G   4   1.672 -40.651  40.754
   45   2H2     G   4          2H2         G   4   3.068 -39.730  40.378
   46   1H5*    G   5          1H5*        G   5   3.459 -32.818  42.923
   47   2H5*    G   5          2H5*        G   5   2.910 -34.113  43.986
   48    H4*    G   5           H4*        G   5   3.505 -34.293  41.071
   49    H3*    G   5           H3*        G   5   0.807 -34.015  42.447
   50    H2*    G   5           H2*        G   5  -0.081 -35.625  40.790
   51   2HO*    G   5          2HO*        G   5   0.948 -36.193  39.023
   52    H1*    G   5           H1*        G   5   1.924 -37.446  40.922
   53    H8     G   5           H8         G   5   2.016 -36.744  44.512
   54    H1     G   5           H1         G   5  -3.408 -39.680  42.761
   55   1H2     G   5          1H2         G   5  -3.662 -39.600  40.520
   56   2H2     G   5          2H2         G   5  -2.472 -38.823  39.560
   57   1H5*    C   6          1H5*        C   6  -0.616 -33.914  38.843
   58   2H5*    C   6          2H5*        C   6  -1.502 -32.396  38.687
   59    H4*    C   6           H4*        C   6  -2.868 -34.212  38.095
   60    H3*    C   6           H3*        C   6  -3.756 -32.778  40.639
   61    H2*    C   6           H2*        C   6  -5.651 -34.372  40.713
   62   2HO*    C   6          2HO*        C   6  -6.197 -34.408  38.629
   63    H1*    C   6           H1*        C   6  -4.233 -36.633  40.156
   64   1H4     C   6          1H4         C   6  -4.239 -36.500  46.478
   65   2H4     C   6          2H4         C   6  -2.756 -35.605  46.479
   66    H5     C   6           H5         C   6  -1.708 -34.768  44.460
   67    H6     C   6           H6         C   6  -1.915 -34.644  42.018
   68   1H5*    U   7          1H5*        U   7  -6.808 -31.143  38.168
   69   2H5*    U   7          2H5*        U   7  -6.876 -29.401  38.435
   70    H4*    U   7           H4*        U   7  -8.858 -30.479  39.132
   71    H3*    U   7           H3*        U   7  -7.262 -29.170  41.388
   72    H2*    U   7           H2*        U   7  -9.054 -29.887  42.906
   73   2HO*    U   7          2HO*        U   7 -10.988 -30.447  42.279
   74    H1*    U   7           H1*        U   7  -9.480 -32.384  41.807
   75    H3     U   7           H3         U   7  -7.807 -33.467  45.801
   76    H5     U   7           H5         U   7  -4.451 -32.231  43.612
   77    H6     U   7           H6         U   7  -5.937 -31.558  41.843
   78   1H5*    U   8          1H5*        U   8 -11.284 -27.847  41.720
   79   2H5*    U   8          2H5*        U   8 -11.229 -26.174  42.275
   80    H4*    U   8           H4*        U   8 -12.599 -27.671  43.600
   81    H3*    U   8           H3*        U   8 -10.351 -26.151  45.014
   82    H2*    U   8           H2*        U   8 -11.095 -27.214  47.090
   83   2HO*    U   8          2HO*        U   8 -13.002 -28.149  47.338
   84    H1*    U   8           H1*        U   8 -11.673 -29.713  46.035
   85    H3     U   8           H3         U   8  -8.264 -30.440  48.880
   86    H5     U   8           H5         U   8  -6.440 -29.081  45.357
   87    H6     U   8           H6         U   8  -8.630 -28.578  44.498
   88   1H5*    G   9          1H5*        G   9 -14.194 -25.683  47.034
   89   2H5*    G   9          2H5*        G   9 -14.230 -24.025  47.634
   90    H4*    G   9           H4*        G   9 -14.864 -25.699  49.265
   91    H3*    G   9           H3*        G   9 -12.542 -23.848  49.924
   92    H2*    G   9           H2*        G   9 -12.337 -25.052  52.077
   93   2HO*    G   9          2HO*        G   9 -13.815 -26.387  52.831
   94    H1*    G   9           H1*        G   9 -12.524 -27.581  51.112
   95    H8     G   9           H8         G   9 -10.591 -25.692  48.432
   96    H1     G   9           H1         G   9  -7.090 -27.661  53.428
   97   1H2     G   9          1H2         G   9  -8.427 -28.412  55.083
   98   2H2     G   9          2H2         G   9 -10.129 -28.392  54.872
   99   1H5*    C  10          1H5*        C  10 -14.574 -23.893  53.486
  100   2H5*    C  10          2H5*        C  10 -14.830 -22.194  53.883
  101    H4*    C  10           H4*        C  10 -13.878 -23.260  55.712
  102    H3*    C  10           H3*        C  10 -11.934 -21.335  54.358
  103    H2*    C  10           H2*        C  10 -10.308 -21.953  56.122
  104   2HO*    C  10          2HO*        C  10 -10.825 -22.948  57.906
  105    H1*    C  10           H1*        C  10 -10.733 -24.647  56.062
  106   1H4     C  10          1H4         C  10  -5.920 -24.044  52.028
  107   2H4     C  10          2H4         C  10  -6.996 -23.625  50.739
  108    H5     C  10           H5         C  10  -9.380 -23.315  51.047
  109    H6     C  10           H6         C  10 -11.193 -23.358  52.702
  110   1H5*    U  11          1H5*        U  11 -11.579 -20.235  58.277
  111   2H5*    U  11          2H5*        U  11 -11.442 -18.477  58.325
  112    H4*    U  11           H4*        U  11  -9.589 -19.549  59.345
  113    H3*    U  11           H3*        U  11  -8.931 -17.901  56.857
  114    H2*    U  11           H2*        U  11  -6.562 -18.506  57.260
  115   2HO*    U  11          2HO*        U  11  -5.841 -19.310  59.072
  116    H1*    U  11           H1*        U  11  -6.966 -21.152  57.799
  117    H3     U  11           H3         U  11  -5.113 -21.409  53.752
  118    H5     U  11           H5         U  11  -9.069 -20.259  52.968
  119    H6     U  11           H6         U  11  -9.399 -20.024  55.340
  120   1H5*    G  12          1H5*        G  12  -6.251 -16.924  59.841
  121   2H5*    G  12          2H5*        G  12  -5.945 -15.187  59.817
  122    H4*    G  12           H4*        G  12  -3.993 -16.697  59.741
  123    H3*    G  12           H3*        G  12  -4.345 -14.395  57.841
  124    H2*    G  12           H2*        G  12  -2.767 -15.168  56.330
  125   2HO*    G  12          2HO*        G  12  -0.847 -15.875  56.925
  126    H1*    G  12           H1*        G  12  -2.425 -17.855  57.483
  127    H8     G  12           H8         G  12  -5.501 -17.904  55.428
  128    H1     G  12           H1         G  12  -0.144 -18.237  51.922
  129   1H2     G  12          1H2         G  12   1.653 -17.696  53.174
  130   2H2     G  12          2H2         G  12   1.443 -17.278  54.823
  131   1H5*    A  13          1H5*        A  13  -1.721 -10.785  61.157
  132   2H5*    A  13          2H5*        A  13  -3.020 -10.918  59.972
  133    H4*    A  13           H4*        A  13  -0.255 -11.998  59.784
  134    H3*    A  13           H3*        A  13  -1.406  -9.488  58.644
  135    H2*    A  13           H2*        A  13  -1.035 -10.060  56.438
  136   2HO*    A  13          2HO*        A  13   0.923 -10.949  55.796
  137    H1*    A  13           H1*        A  13  -0.032 -12.810  56.960
  138    H8     A  13           H8         A  13  -3.773 -12.045  56.509
  139   1H6     A  13          1H6         A  13  -2.988 -14.169  50.771
  140   2H6     A  13          2H6         A  13  -4.136 -13.622  51.945
  141    H2     A  13           H2         A  13   1.037 -13.923  52.740
  142   1H5*    A  14          1H5*        A  14   1.284  -6.061  58.753
  143   2H5*    A  14          2H5*        A  14  -0.104  -5.798  57.698
  144    H4*    A  14           H4*        A  14   2.132  -7.743  57.467
  145    H3*    A  14           H3*        A  14   1.725  -5.336  56.084
  146    H2*    A  14           H2*        A  14   0.073  -6.108  54.531
  147   2HO*    A  14          2HO*        A  14   2.304  -7.457  53.506
  148    H1*    A  14           H1*        A  14   1.262  -8.915  54.635
  149    H8     A  14           H8         A  14  -2.303  -7.995  55.738
  150   1H6     A  14          1H6         A  14  -4.070 -10.954  50.621
  151   2H6     A  14          2H6         A  14  -4.599 -10.178  52.074
  152    H2     A  14           H2         A  14   0.409 -10.677  50.608
  153   1H5*    G  15          1H5*        G  15   5.120  -4.873  52.320
  154   2H5*    G  15          2H5*        G  15   3.497  -5.531  52.112
  155    H4*    G  15           H4*        G  15   6.069  -6.957  51.580
  156    H3*    G  15           H3*        G  15   4.388  -5.388  49.626
  157    H2*    G  15           H2*        G  15   4.583  -7.242  48.040
  158   2HO*    G  15          2HO*        G  15   6.013  -8.793  48.184
  159    H1*    G  15           H1*        G  15   4.081  -9.337  49.675
  160    H8     G  15           H8         G  15   1.618  -7.413  51.438
  161    H1     G  15           H1         G  15  -0.074  -8.261  45.312
  162   1H2     G  15          1H2         G  15   1.701  -8.928  44.089
  163   2H2     G  15          2H2         G  15   3.225  -9.134  44.847
  164   1H5*    C  16          1H5*        C  16   7.741  -5.428  47.214
  165   2H5*    C  16          2H5*        C  16   8.024  -3.772  46.679
  166    H4*    C  16           H4*        C  16   7.645  -5.256  44.865
  167    H3*    C  16           H3*        C  16   5.564  -3.042  45.199
  168    H2*    C  16           H2*        C  16   4.490  -3.947  43.158
  169   2HO*    C  16          2HO*        C  16   5.427  -5.300  41.831
  170    H1*    C  16           H1*        C  16   4.666  -6.592  43.818
  171   1H4     C  16          1H4         C  16  -1.096  -4.956  45.862
  172   2H4     C  16          2H4         C  16  -0.453  -4.609  47.431
  173    H5     C  16           H5         C  16   1.918  -4.651  47.934
  174    H6     C  16           H6         C  16   4.145  -5.046  46.984
  175   1H5*    G  17          1H5*        G  17   6.465  -2.962  41.035
  176   2H5*    G  17          2H5*        G  17   6.754  -1.245  40.751
  177    H4*    G  17           H4*        G  17   5.235  -2.062  39.177
  178    H3*    G  17           H3*        G  17   3.974  -0.116  41.160
  179    H2*    G  17           H2*        G  17   1.860  -0.415  39.905
  180   2HO*    G  17          2HO*        G  17   1.740  -1.285  37.985
  181    H1*    G  17           H1*        G  17   1.973  -3.126  39.661
  182    H8     G  17           H8         G  17   3.320  -2.157  43.127
  183    H1     G  17           H1         G  17  -3.036  -2.889  42.711
  184   1H2     G  17          1H2         G  17  -3.664  -3.139  40.559
  185   2H2     G  17          2H2         G  17  -2.476  -3.114  39.321
  186   1H5*    C  18          1H5*        C  18   2.746   1.088  37.231
  187   2H5*    C  18          2H5*        C  18   2.738   2.851  37.277
  188    H4*    C  18           H4*        C  18   0.682   1.916  36.502
  189    H3*    C  18           H3*        C  18   0.522   3.585  39.059
  190    H2*    C  18           H2*        C  18  -1.914   3.180  39.008
  191   2HO*    C  18          2HO*        C  18  -2.966   2.544  37.313
  192    H1*    C  18           H1*        C  18  -1.814   0.522  38.336
  193   1H4     C  18          1H4         C  18  -2.328   0.176  44.610
  194   2H4     C  18          2H4         C  18  -0.657   0.573  44.823
  195    H5     C  18           H5         C  18   0.816   1.150  42.986
  196    H6     C  18           H6         C  18   0.935   1.453  40.554
  197   1H5*    G  19          1H5*        G  19  -2.528   5.397  36.595
  198   2H5*    G  19          2H5*        G  19  -2.490   7.087  37.101
  199    H4*    G  19           H4*        G  19  -4.632   5.992  37.357
  200    H3*    G  19           H3*        G  19  -3.353   7.213  39.851
  201    H2*    G  19           H2*        G  19  -5.383   6.496  41.068
  202   2HO*    G  19          2HO*        G  19  -7.185   5.944  40.136
  203    H1*    G  19           H1*        G  19  -5.585   3.999  39.966
  204    H8     G  19           H8         G  19  -1.866   4.617  40.555
  205    H1     G  19           H1         G  19  -5.140   2.577  45.677
  206   1H2     G  19          1H2         G  19  -7.358   2.616  45.263
  207   2H2     G  19          2H2         G  19  -7.925   3.144  43.733
  208   1H5*    C  20          1H5*        C  20  -7.103   9.393  39.944
  209   2H5*    C  20          2H5*        C  20  -6.579  10.981  40.506
  210    H4*    C  20           H4*        C  20  -8.253   9.952  41.892
  211    H3*    C  20           H3*        C  20  -5.584  10.634  43.215
  212    H2*    C  20           H2*        C  20  -6.578   9.785  45.320
  213   2HO*    C  20          2HO*        C  20  -8.534  10.548  45.315
  214    H1*    C  20           H1*        C  20  -7.724   7.535  44.279
  215   1H4     C  20          1H4         C  20  -2.231   4.999  45.980
  216   2H4     C  20          2H4         C  20  -1.328   6.062  44.954
  217    H5     C  20           H5         C  20  -2.355   7.789  43.599
  218    H6     C  20           H6         C  20  -4.494   8.821  42.981
  219   1H5*    A  21          1H5*        A  21  -8.716  12.993  45.713
  220   2H5*    A  21          2H5*        A  21  -7.749  14.457  45.890
  221    H4*    A  21           H4*        A  21  -8.738  13.575  47.939
  222    H3*    A  21           H3*        A  21  -5.725  14.049  47.833
  223    H2*    A  21           H2*        A  21  -5.655  13.268  50.182
  224   2HO*    A  21          2HO*        A  21  -7.382  13.036  51.403
  225    H1*    A  21           H1*        A  21  -7.285  11.104  49.885
  226    H8     A  21           H8         A  21  -5.346  11.037  46.669
  227   1H6     A  21          1H6         A  21  -0.830   8.265  49.831
  228   2H6     A  21          2H6         A  21  -1.412   8.701  48.260
  229    H2     A  21           H2         A  21  -3.865   9.794  52.763
  230   1H5*    C  22          1H5*        C  22  -6.937  15.507  51.578
  231   2H5*    C  22          2H5*        C  22  -6.195  17.104  51.668
  232    H4*    C  22           H4*        C  22  -5.831  15.621  53.580
  233    H3*    C  22           H3*        C  22  -3.415  16.862  52.176
  234    H2*    C  22           H2*        C  22  -2.023  15.712  53.871
  235   2HO*    C  22          2HO*        C  22  -2.776  14.907  55.666
  236    H1*    C  22           H1*        C  22  -3.319  13.306  53.809
  237   1H4     C  22          1H4         C  22   1.530  12.819  49.708
  238   2H4     C  22          2H4         C  22   0.372  12.818  48.421
  239    H5     C  22           H5         C  22  -1.989  13.253  48.759
  240    H6     C  22           H6         C  22  -3.691  13.781  50.446
  241   1H5*    G  23          1H5*        G  23  -2.818  17.723  56.159
  242   2H5*    G  23          2H5*        G  23  -2.408  19.432  56.293
  243    H4*    G  23           H4*        G  23  -0.914  17.861  57.423
  244    H3*    G  23           H3*        G  23   0.262  19.865  55.435
  245    H2*    G  23           H2*        G  23   2.472  18.914  55.998
  246   2HO*    G  23          2HO*        G  23   2.856  17.752  57.703
  247    H1*    G  23           H1*        G  23   1.733  16.275  55.979
  248    H8     G  23           H8         G  23  -0.166  17.296  52.981
  249    H1     G  23           H1         G  23   6.172  17.301  52.012
  250   1H2     G  23          1H2         G  23   7.271  17.182  53.979
  251   2H2     G  23          2H2         G  23   6.383  17.104  55.444
  252   1H5*    G  24          1H5*        G  24   2.636  21.019  58.746
  253   2H5*    G  24          2H5*        G  24   2.814  22.760  58.530
  254    H4*    G  24           H4*        G  24   4.875  21.444  58.506
  255    H3*    G  24           H3*        G  24   4.271  23.307  56.159
  256    H2*    G  24           H2*        G  24   6.450  22.599  55.223
  257   2HO*    G  24          2HO*        G  24   7.957  21.651  56.334
  258    H1*    G  24           H1*        G  24   6.201  19.925  55.749
  259    H8     G  24           H8         G  24   2.716  20.702  54.635
  260    H1     G  24           H1         G  24   6.966  20.508  49.838
  261   1H2     G  24          1H2         G  24   9.073  20.504  50.649
  262   2H2     G  24          2H2         G  24   9.328  20.547  52.344
  263   1H5*    C  25          1H5*        C  25   8.284  24.465  57.162
  264   2H5*    C  25          2H5*        C  25   8.189  26.224  57.086
  265    H4*    C  25           H4*        C  25   9.951  25.313  55.753
  266    H3*    C  25           H3*        C  25   7.796  26.877  54.253
  267    H2*    C  25           H2*        C  25   9.126  26.464  52.206
  268   2HO*    C  25          2HO*        C  25  11.133  25.825  52.212
  269    H1*    C  25           H1*        C  25   9.684  23.829  52.682
  270   1H4     C  25          1H4         C  25   4.516  23.529  49.054
  271   2H4     C  25          2H4         C  25   3.499  23.605  50.453
  272    H5     C  25           H5         C  25   4.350  23.966  52.694
  273    H6     C  25           H6         C  25   6.388  24.325  54.013
  274   1H5*    A  26          1H5*        A  26  11.659  28.370  52.891
  275   2H5*    A  26          2H5*        A  26  11.368  30.101  52.711
  276    H4*    A  26           H4*        A  26  12.322  29.050  50.768
  277    H3*    A  26           H3*        A  26   9.622  30.439  50.415
  278    H2*    A  26           H2*        A  26   9.784  29.821  48.021
  279   2HO*    A  26          2HO*        A  26  11.567  29.144  47.092
  280    H1*    A  26           H1*        A  26  10.630  27.249  48.385
  281    H8     A  26           H8         A  26   8.059  27.941  51.109
  282   1H6     A  26          1H6         A  26   3.830  26.208  46.965
  283   2H6     A  26          2H6         A  26   4.119  26.623  48.620
  284    H2     A  26           H2         A  26   7.788  26.544  44.877
  285   1H5*    A  27          1H5*        A  27  12.313  32.086  47.292
  286   2H5*    A  27          2H5*        A  27  11.543  33.614  46.866
  287    H4*    A  27           H4*        A  27  11.876  31.804  45.128
  288    H3*    A  27           H3*        A  27   9.303  33.435  45.375
  289    H2*    A  27           H2*        A  27   8.458  32.113  43.456
  290   2HO*    A  27          2HO*        A  27  10.070  31.989  42.130
  291    H1*    A  27           H1*        A  27   9.316  29.667  44.317
  292    H8     A  27           H8         A  27   8.184  31.146  47.553
  293   1H6     A  27          1H6         A  27   2.423  29.724  45.865
  294   2H6     A  27          2H6         A  27   3.441  30.248  47.163
  295    H2     A  27           H2         A  27   5.100  29.205  42.300
  296   1H5*    G  28          1H5*        G  28  10.192  34.656  41.131
  297   2H5*    G  28          2H5*        G  28   9.163  36.088  41.094
  298    H4*    G  28           H4*        G  28   8.676  34.009  39.652
  299    H3*    G  28           H3*        G  28   6.586  35.790  40.960
  300    H2*    G  28           H2*        G  28   4.874  34.221  40.107
  301   2HO*    G  28          2HO*        G  28   5.262  32.720  38.651
  302    H1*    G  28           H1*        G  28   6.090  31.906  40.824
  303    H8     G  28           H8         G  28   7.163  33.619  43.859
  304    H1     G  28           H1         G  28   0.800  32.855  43.666
  305   1H2     G  28          1H2         G  28   0.133  32.314  41.579
  306   2H2     G  28          2H2         G  28   1.297  32.164  40.329
  307   1H5*    A  29          1H5*        A  29   5.211  36.662  36.794
  308   2H5*    A  29          2H5*        A  29   5.011  38.407  36.944
  309    H4*    A  29           H4*        A  29   3.040  37.166  36.248
  310    H3*    A  29           H3*        A  29   2.837  38.950  38.726
  311    H2*    A  29           H2*        A  29   0.475  38.291  38.854
  312   2HO*    A  29          2HO*        A  29  -0.519  37.163  37.219
  313    H1*    A  29           H1*        A  29   0.805  35.629  38.202
  314    H8     A  29           H8         A  29   3.498  35.544  40.569
  315   1H6     A  29          1H6         A  29  -0.529  36.229  45.193
  316   2H6     A  29          2H6         A  29   1.091  35.795  44.765
  317    H2     A  29           H2         A  29  -2.606  37.275  41.355
  318   1H5*    G  30          1H5*        G  30   0.096  40.516  37.123
  319   2H5*    G  30          2H5*        G  30   0.349  42.066  36.321
  320    H4*    G  30           H4*        G  30  -0.677  43.251  37.908
  321    H3*    G  30           H3*        G  30   0.650  42.078  39.934
  322    H2*    G  30           H2*        G  30  -0.543  39.913  39.921
  323   2HO*    G  30          2HO*        G  30  -0.708  40.732  41.950
  324    H1*    G  30           H1*        G  30  -3.160  41.437  39.717
  325    H8     G  30           H8         G  30  -1.936  38.993  37.008
  326    H1     G  30           H1         G  30  -6.430  36.751  40.993
  327   1H2     G  30          1H2         G  30  -6.790  38.210  42.678
  328   2H2     G  30          2H2         G  30  -5.900  39.674  42.735
  329   1H5*    G  31          1H5*        G  31  -1.277  46.072  42.364
  330   2H5*    G  31          2H5*        G  31  -0.193  45.580  43.664
  331    H4*    G  31           H4*        G  31  -2.319  44.050  42.265
  332    H3*    G  31           H3*        G  31  -2.204  45.179  44.936
  333    H2*    G  31           H2*        G  31  -1.548  43.220  46.037
  334   2HO*    G  31          2HO*        G  31  -3.111  41.703  46.261
  335    H1*    G  31           H1*        G  31  -2.346  41.454  43.685
  336    H8     G  31           H8         G  31  -1.834  39.225  44.879
  337    H1     G  31           H1         G  31   4.076  41.286  46.265
  338   1H2     G  31          1H2         G  31   4.300  43.465  45.722
  339   2H2     G  31          2H2         G  31   2.972  44.310  45.042
  340   1H5*    C  32          1H5*        C  32  -6.027  44.572  42.634
  341   2H5*    C  32          2H5*        C  32  -7.429  45.510  43.151
  342    H4*    C  32           H4*        C  32  -8.079  43.379  42.411
  343    H3*    C  32           H3*        C  32  -8.517  43.829  45.403
  344    H2*    C  32           H2*        C  32  -9.498  41.555  45.450
  345   2HO*    C  32          2HO*        C  32 -10.672  41.599  43.649
  346    H1*    C  32           H1*        C  32  -7.604  40.329  43.911
  347   1H4     C  32          1H4         C  32  -5.503  39.320  49.788
  348   2H4     C  32          2H4         C  32  -4.596  40.794  49.740
  349    H5     C  32           H5         C  32  -4.723  42.372  47.904
  350    H6     C  32           H6         C  32  -5.777  42.814  45.732
  351   1H5*    G  33          1H5*        G  33 -12.569  43.222  44.966
  352   2H5*    G  33          2H5*        G  33 -13.254  44.638  45.764
  353    H4*    G  33           H4*        G  33 -13.970  42.652  46.820
  354    H3*    G  33           H3*        G  33 -12.204  44.443  48.528
  355    H2*    G  33           H2*        G  33 -12.414  42.757  50.325
  356   2HO*    G  33          2HO*        G  33 -13.841  41.194  50.321
  357    H1*    G  33           H1*        G  33 -11.956  40.544  48.829
  358    H8     G  33           H8         G  33  -9.590  42.874  47.117
  359    H1     G  33           H1         G  33  -7.549  40.890  52.863
  360   1H2     G  33          1H2         G  33  -9.228  39.891  53.994
  361   2H2     G  33          2H2         G  33 -10.777  39.760  53.273
  362   1H5*    U  34          1H5*        U  34 -15.318  43.188  51.082
  363   2H5*    U  34          2H5*        U  34 -15.880  44.677  51.840
  364    H4*    U  34           H4*        U  34 -15.454  42.974  53.430
  365    H3*    U  34           H3*        U  34 -13.657  45.437  53.663
  366    H2*    U  34           H2*        U  34 -12.647  44.334  55.635
  367   2HO*    U  34          2HO*        U  34 -13.505  42.665  56.627
  368    H1*    U  34           H1*        U  34 -12.437  41.826  54.561
  369    H3     U  34           H3         U  34  -8.153  43.062  54.616
  370    H5     U  34           H5         U  34  -9.742  45.116  51.323
  371    H6     U  34           H6         U  34 -11.922  44.334  51.973
  372   1H5*    C  35          1H5*        C  35 -14.769  44.830  57.676
  373   2H5*    C  35          2H5*        C  35 -15.404  46.416  58.118
  374    H4*    C  35           H4*        C  35 -13.886  45.780  59.726
  375    H3*    C  35           H3*        C  35 -12.737  47.996  57.957
  376    H2*    C  35           H2*        C  35 -10.734  47.920  59.371
  377   2HO*    C  35          2HO*        C  35 -10.667  47.008  61.297
  378    H1*    C  35           H1*        C  35 -10.613  45.174  59.681
  379   1H4     C  35          1H4         C  35  -6.340  46.225  55.154
  380   2H4     C  35          2H4         C  35  -7.578  46.297  53.945
  381    H5     C  35           H5         C  35  -9.944  46.192  54.460
  382    H6     C  35           H6         C  35 -11.575  45.995  56.282
  383    H3T    C  35           H3T        C  35 -13.018  48.681  60.375
  384   1H5*    G  36          1H5*        G  36   3.736  45.112  58.688
  385   2H5*    G  36          2H5*        G  36   2.573  46.052  57.723
  386    H4*    G  36           H4*        G  36   2.398  45.379  60.630
  387    H3*    G  36           H3*        G  36   1.031  44.024  58.279
  388    H2*    G  36           H2*        G  36  -1.000  43.868  59.683
  389   2HO*    G  36          2HO*        G  36  -1.019  44.209  61.781
  390    H1*    G  36           H1*        G  36  -0.999  46.400  60.644
  391    H8     G  36           H8         G  36   0.312  46.828  57.110
  392    H1     G  36           H1         G  36  -6.057  46.243  57.570
  393   1H2     G  36          1H2         G  36  -6.643  45.601  59.653
  394   2H2     G  36          2H2         G  36  -5.427  45.348  60.836
  395    H5T    G  36           H5T        G  36   4.313  47.335  58.518
  396   1H5*    A  37          1H5*        A  37  -0.189  41.810  61.642
  397   2H5*    A  37          2H5*        A  37   0.116  40.139  61.170
  398    H4*    A  37           H4*        A  37  -2.071  40.422  62.008
  399    H3*    A  37           H3*        A  37  -1.938  39.645  59.053
  400    H2*    A  37           H2*        A  37  -4.403  39.616  59.087
  401   2HO*    A  37          2HO*        A  37  -5.565  39.553  60.854
  402    H1*    A  37           H1*        A  37  -4.763  41.893  60.584
  403    H8     A  37           H8         A  37  -1.975  42.778  58.199
  404   1H6     A  37          1H6         A  37  -6.382  44.029  54.067
  405   2H6     A  37          2H6         A  37  -4.694  44.143  54.430
  406    H2     A  37           H2         A  37  -8.288  41.986  57.579
  407   1H5*    C  38          1H5*        C  38  -4.778  37.079  60.522
  408   2H5*    C  38          2H5*        C  38  -4.392  35.491  59.859
  409    H4*    C  38           H4*        C  38  -6.639  36.176  59.443
  410    H3*    C  38           H3*        C  38  -4.896  35.704  56.975
  411    H2*    C  38           H2*        C  38  -6.820  36.267  55.606
  412   2HO*    C  38          2HO*        C  38  -8.816  36.112  56.239
  413    H1*    C  38           H1*        C  38  -7.905  38.241  57.264
  414   1H4     C  38          1H4         C  38  -5.281  41.413  52.447
  415   2H4     C  38          2H4         C  38  -3.803  41.551  53.338
  416    H5     C  38           H5         C  38  -3.427  40.449  55.465
  417    H6     C  38           H6         C  38  -4.440  38.980  57.149
  418   1H5*    G  39          1H5*        G  39  -8.483  33.309  56.286
  419   2H5*    G  39          2H5*        G  39  -7.810  31.788  55.700
  420    H4*    G  39           H4*        G  39  -9.576  32.692  54.331
  421    H3*    G  39           H3*        G  39  -6.861  32.245  53.000
  422    H2*    G  39           H2*        G  39  -7.923  33.034  50.906
  423   2HO*    G  39          2HO*        G  39  -9.993  33.152  50.609
  424    H1*    G  39           H1*        G  39  -9.250  35.169  51.972
  425    H8     G  39           H8         G  39  -5.978  35.283  53.836
  426    H1     G  39           H1         G  39  -5.663  37.508  47.830
  427   1H2     G  39          1H2         G  39  -7.543  36.986  46.696
  428   2H2     G  39          2H2         G  39  -8.792  36.111  47.480
  429   1H5*    G  40          1H5*        G  40  -7.353  29.152  49.178
  430   2H5*    G  40          2H5*        G  40  -6.168  30.401  49.561
  431    H4*    G  40           H4*        G  40  -8.685  30.709  47.995
  432    H3*    G  40           H3*        G  40  -5.836  30.404  46.976
  433    H2*    G  40           H2*        G  40  -6.387  32.094  45.255
  434   2HO*    G  40          2HO*        G  40  -8.363  32.726  44.807
  435    H1*    G  40           H1*        G  40  -7.634  33.882  46.871
  436    H8     G  40           H8         G  40  -5.098  33.007  49.368
  437    H1     G  40           H1         G  40  -2.599  36.143  44.365
  438   1H2     G  40          1H2         G  40  -4.060  36.176  42.644
  439   2H2     G  40          2H2         G  40  -5.589  35.421  42.816
  440   1H5*    C  41          1H5*        C  41  -7.478  30.484  43.473
  441   2H5*    C  41          2H5*        C  41  -7.029  28.986  42.658
  442    H4*    C  41           H4*        C  41  -6.477  30.831  41.326
  443    H3*    C  41           H3*        C  41  -4.046  29.314  42.375
  444    H2*    C  41           H2*        C  41  -2.660  30.925  41.104
  445   2HO*    C  41          2HO*        C  41  -3.796  31.049  39.279
  446    H1*    C  41           H1*        C  41  -3.992  33.189  41.832
  447   1H4     C  41          1H4         C  41   0.596  32.804  46.166
  448   2H4     C  41          2H4         C  41  -0.442  31.896  47.213
  449    H5     C  41           H5         C  41  -2.646  31.130  46.557
  450    H6     C  41           H6         C  41  -4.278  31.105  44.725
  451   1H5*    U  42          1H5*        U  42  -3.757  27.826  38.404
  452   2H5*    U  42          2H5*        U  42  -3.549  26.076  38.474
  453    H4*    U  42           H4*        U  42  -1.659  27.159  37.554
  454    H3*    U  42           H3*        U  42  -1.145  25.732  40.212
  455    H2*    U  42           H2*        U  42   1.201  26.415  39.984
  456   2HO*    U  42          2HO*        U  42   2.089  27.035  38.169
  457    H1*    U  42           H1*        U  42   0.743  28.961  39.009
  458    H3     U  42           H3         U  42   2.522  29.869  43.001
  459    H5     U  42           H5         U  42  -1.393  28.666  43.899
  460    H6     U  42           H6         U  42  -1.673  28.082  41.583
  461   1H5*    U  43          1H5*        U  43   1.837  24.462  37.465
  462   2H5*    U  43          2H5*        U  43   2.172  22.767  37.821
  463    H4*    U  43           H4*        U  43   4.103  24.233  37.793
  464    H3*    U  43           H3*        U  43   3.557  22.623  40.337
  465    H2*    U  43           H2*        U  43   5.592  23.615  41.266
  466   2HO*    U  43          2HO*        U  43   7.104  24.565  40.091
  467    H1*    U  43           H1*        U  43   5.274  26.161  40.211
  468    H3     U  43           H3         U  43   5.017  26.735  44.665
  469    H5     U  43           H5         U  43   1.179  25.490  43.530
  470    H6     U  43           H6         U  43   2.046  25.048  41.330
  471   1H5*    G  44          1H5*        G  44   7.662  22.145  38.918
  472   2H5*    G  44          2H5*        G  44   8.087  20.462  39.229
  473    H4*    G  44           H4*        G  44   9.747  22.063  39.959
  474    H3*    G  44           H3*        G  44   8.582  20.156  42.023
  475    H2*    G  44           H2*        G  44  10.030  21.259  43.699
  476   2HO*    G  44          2HO*        G  44  11.625  22.579  43.201
  477    H1*    G  44           H1*        G  44   9.519  23.831  43.006
  478    H8     G  44           H8         G  44   6.204  22.034  42.479
  479    H1     G  44           H1         G  44   7.442  23.739  48.534
  480   1H2     G  44          1H2         G  44   9.578  24.436  48.738
  481   2H2     G  44          2H2         G  44  10.601  24.449  47.360
  482   1H5*    C  45          1H5*        C  45  12.568  20.069  42.987
  483   2H5*    C  45          2H5*        C  45  12.991  18.357  43.024
  484    H4*    C  45           H4*        C  45  13.686  19.356  45.003
  485    H3*    C  45           H3*        C  45  11.334  17.454  45.425
  486    H2*    C  45           H2*        C  45  11.514  17.993  47.836
  487   2HO*    C  45          2HO*        C  45  13.183  18.944  48.713
  488    H1*    C  45           H1*        C  45  11.811  20.692  47.571
  489   1H4     C  45          1H4         C  45   5.566  20.178  48.309
  490   2H4     C  45          2H4         C  45   5.354  19.820  46.629
  491    H5     C  45           H5         C  45   7.203  19.529  45.090
  492    H6     C  45           H6         C  45   9.649  19.531  44.899
  493   1H5*    U  46          1H5*        U  46  13.876  16.218  48.344
  494   2H5*    U  46          2H5*        U  46  13.793  14.458  48.416
  495    H4*    U  46           H4*        U  46  13.244  15.474  50.489
  496    H3*    U  46           H3*        U  46  10.986  13.886  49.178
  497    H2*    U  46           H2*        U  46   9.633  14.436  51.177
  498   2HO*    U  46          2HO*        U  46  10.439  15.155  52.986
  499    H1*    U  46           H1*        U  46  10.350  17.069  51.367
  500    H3     U  46           H3         U  46   6.131  17.427  49.958
  501    H5     U  46           H5         U  46   8.266  16.425  46.491
  502    H6     U  46           H6         U  46  10.214  16.103  47.866
  503   1H5*    G  47          1H5*        G  47  11.336  12.771  53.035
  504   2H5*    G  47          2H5*        G  47  11.229  11.025  53.254
  505    H4*    G  47           H4*        G  47   9.780  12.376  54.680
  506    H3*    G  47           H3*        G  47   8.702  10.115  53.031
  507    H2*    G  47           H2*        G  47   6.504  10.831  53.129
  508   2HO*    G  47          2HO*        G  47   5.562  11.376  54.966
  509    H1*    G  47           H1*        G  47   7.030  13.448  54.398
  510    H8     G  47           H8         G  47   7.530  13.581  50.684
  511    H1     G  47           H1         G  47   1.426  14.262  52.521
  512   1H2     G  47          1H2         G  47   1.191  13.715  54.699
  513   2H2     G  47          2H2         G  47   2.560  13.206  55.598
  514   1H5*    A  48          1H5*        A  48   7.236   7.329  58.150
  515   2H5*    A  48          2H5*        A  48   7.258   6.663  56.517
  516    H4*    A  48           H4*        A  48   5.205   8.142  57.980
  517    H3*    A  48           H3*        A  48   5.218   5.651  56.340
  518    H2*    A  48           H2*        A  48   3.498   6.294  54.941
  519   2HO*    A  48          2HO*        A  48   1.617   7.179  55.782
  520    H1*    A  48           H1*        A  48   3.139   9.022  56.084
  521    H8     A  48           H8         A  48   5.556   8.303  53.184
  522   1H6     A  48          1H6         A  48   1.108  10.611  49.586
  523   2H6     A  48          2H6         A  48   2.738  10.035  49.646
  524    H2     A  48           H2         A  48  -0.501  10.264  53.761
  525   1H5*    A  49          1H5*        A  49   3.190   2.260  58.188
  526   2H5*    A  49          2H5*        A  49   3.504   2.000  56.472
  527    H4*    A  49           H4*        A  49   1.716   3.950  57.822
  528    H3*    A  49           H3*        A  49   1.058   1.593  56.472
  529    H2*    A  49           H2*        A  49   1.356   2.388  54.223
  530   2HO*    A  49          2HO*        A  49  -1.007   3.742  54.881
  531    H1*    A  49           H1*        A  49   0.525   5.189  55.100
  532    H8     A  49           H8         A  49   3.935   4.192  53.607
  533   1H6     A  49          1H6         A  49   2.071   7.372  48.659
  534   2H6     A  49          2H6         A  49   3.385   6.518  49.394
  535    H2     A  49           H2         A  49  -1.344   7.161  51.562
  536   1H5*    G  50          1H5*        G  50  -4.003   1.325  55.752
  537   2H5*    G  50          2H5*        G  50  -2.824   1.946  54.597
  538    H4*    G  50           H4*        G  50  -5.074   3.479  55.819
  539    H3*    G  50           H3*        G  50  -5.074   1.979  53.189
  540    H2*    G  50           H2*        G  50  -6.188   3.918  52.165
  541   2HO*    G  50          2HO*        G  50  -7.608   4.434  53.682
  542    H1*    G  50           H1*        G  50  -4.653   5.897  53.189
  543    H8     G  50           H8         G  50  -1.713   3.882  52.833
  544    H1     G  50           H1         G  50  -4.391   5.025  47.121
  545   1H2     G  50          1H2         G  50  -6.512   5.754  47.375
  546   2H2     G  50          2H2         G  50  -7.166   5.927  48.951
  547   1H5*    C  51          1H5*        C  51  -9.231   1.908  53.614
  548   2H5*    C  51          2H5*        C  51  -9.768   0.263  53.273
  549    H4*    C  51           H4*        C  51 -10.629   1.886  51.740
  550    H3*    C  51           H3*        C  51  -8.886  -0.320  50.540
  551    H2*    C  51           H2*        C  51  -9.347   0.709  48.339
  552   2HO*    C  51          2HO*        C  51 -10.887   2.119  47.991
  553    H1*    C  51           H1*        C  51  -9.020   3.320  49.100
  554   1H4     C  51          1H4         C  51  -3.344   1.741  46.789
  555   2H4     C  51          2H4         C  51  -2.815   1.273  48.370
  556    H5     C  51           H5         C  51  -4.285   1.209  50.297
  557    H6     C  51           H6         C  51  -6.587   1.595  51.056
  558   1H5*    G  52          1H5*        G  52 -12.254  -0.150  47.926
  559   2H5*    G  52          2H5*        G  52 -12.716  -1.849  47.817
  560    H4*    G  52           H4*        G  52 -12.544  -0.957  45.673
  561    H3*    G  52           H3*        G  52 -10.337  -2.970  46.293
  562    H2*    G  52           H2*        G  52  -9.524  -2.590  43.985
  563   2HO*    G  52          2HO*        G  52 -10.652  -1.621  42.480
  564    H1*    G  52           H1*        G  52  -9.717   0.128  43.985
  565    H8     G  52           H8         G  52  -8.535  -1.062  47.451
  566    H1     G  52           H1         G  52  -3.925  -0.088  43.102
  567   1H2     G  52          1H2         G  52  -4.827   0.304  41.070
  568   2H2     G  52          2H2         G  52  -6.532   0.308  40.886
  569   1H5*    C  53          1H5*        C  53 -11.943  -3.957  42.440
  570   2H5*    C  53          2H5*        C  53 -11.925  -5.719  42.376
  571    H4*    C  53           H4*        C  53 -10.834  -4.682  40.516
  572    H3*    C  53           H3*        C  53  -9.103  -6.494  42.269
  573    H2*    C  53           H2*        C  53  -7.259  -6.027  40.697
  574   2HO*    C  53          2HO*        C  53  -7.524  -5.262  38.762
  575    H1*    C  53           H1*        C  53  -7.724  -3.336  40.399
  576   1H4     C  53          1H4         C  53  -3.283  -3.316  44.873
  577   2H4     C  53          2H4         C  53  -4.427  -3.778  46.087
  578    H5     C  53           H5         C  53  -6.744  -4.299  45.600
  579    H6     C  53           H6         C  53  -8.407  -4.472  43.805
  580   1H5*    G  54          1H5*        G  54  -8.352  -8.037  38.337
  581   2H5*    G  54          2H5*        G  54  -8.108  -9.762  38.612
  582    H4*    G  54           H4*        G  54  -6.261  -8.642  37.540
  583    H3*    G  54           H3*        G  54  -5.698 -10.057  40.191
  584    H2*    G  54           H2*        G  54  -3.343  -9.378  39.896
  585   2HO*    G  54          2HO*        G  54  -2.514  -8.758  38.071
  586    H1*    G  54           H1*        G  54  -3.820  -6.817  39.035
  587    H8     G  54           H8         G  54  -6.283  -7.540  41.867
  588    H1     G  54           H1         G  54  -0.442  -5.665  43.731
  589   1H2     G  54          1H2         G  54   0.973  -5.630  41.974
  590   2H2     G  54          2H2         G  54   0.405  -6.072  40.418
  591   1H5*    C  55          1H5*        C  55  -2.774 -11.983  37.683
  592   2H5*    C  55          2H5*        C  55  -2.779 -13.645  38.272
  593    H4*    C  55           H4*        C  55  -0.621 -12.633  38.347
  594    H3*    C  55           H3*        C  55  -1.787 -13.495  41.038
  595    H2*    C  55           H2*        C  55   0.338 -12.723  42.044
  596   2HO*    C  55          2HO*        C  55   2.091 -12.297  40.922
  597    H1*    C  55           H1*        C  55   0.557 -10.385  40.639
  598   1H4     C  55          1H4         C  55  -2.356  -8.224  45.779
  599   2H4     C  55          2H4         C  55  -3.819  -9.066  45.393
  600    H5     C  55           H5         C  55  -4.040 -10.530  43.473
  601    H6     C  55           H6         C  55  -2.856 -11.462  41.537
  602   1H5*    A  56          1H5*        A  56   2.322 -15.035  40.847
  603   2H5*    A  56          2H5*        A  56   2.011 -16.744  41.155
  604    H4*    A  56           H4*        A  56   3.873 -15.969  42.382
  605    H3*    A  56           H3*        A  56   1.492 -16.824  44.095
  606    H2*    A  56           H2*        A  56   2.904 -16.301  46.062
  607   2HO*    A  56          2HO*        A  56   4.984 -16.076  45.988
  608    H1*    A  56           H1*        A  56   3.901 -13.927  45.152
  609    H8     A  56           H8         A  56   0.320 -13.851  43.974
  610   1H6     A  56          1H6         A  56  -1.130 -11.867  49.634
  611   2H6     A  56          2H6         A  56  -1.704 -12.122  48.021
  612    H2     A  56           H2         A  56   3.151 -13.213  49.670
  613   1H5*    C  57          1H5*        C  57   5.039 -18.784  45.624
  614   2H5*    C  57          2H5*        C  57   4.485 -20.367  46.173
  615    H4*    C  57           H4*        C  57   5.751 -18.962  47.770
  616    H3*    C  57           H3*        C  57   3.083 -20.216  48.579
  617    H2*    C  57           H2*        C  57   3.435 -19.179  50.799
  618   2HO*    C  57          2HO*        C  57   5.287 -18.393  51.457
  619    H1*    C  57           H1*        C  57   4.270 -16.732  49.911
  620   1H4     C  57          1H4         C  57  -1.981 -16.091  50.813
  621   2H4     C  57          2H4         C  57  -2.222 -16.241  49.105
  622    H5     C  57           H5         C  57  -0.446 -16.813  47.558
  623    H6     C  57           H6         C  57   1.942 -17.355  47.385
  624   1H5*    G  58          1H5*        G  58   5.602 -21.598  51.567
  625   2H5*    G  58          2H5*        G  58   5.300 -23.322  51.780
  626    H4*    G  58           H4*        G  58   5.170 -21.860  53.776
  627    H3*    G  58           H3*        G  58   2.915 -23.822  53.129
  628    H2*    G  58           H2*        G  58   1.820 -23.017  55.198
  629   2HO*    G  58          2HO*        G  58   2.802 -21.949  56.713
  630    H1*    G  58           H1*        G  58   2.280 -20.348  54.819
  631    H8     G  58           H8         G  58   1.441 -21.182  51.313
  632    H1     G  58           H1         G  58  -3.644 -21.403  55.212
  633   1H2     G  58          1H2         G  58  -2.984 -21.391  57.370
  634   2H2     G  58          2H2         G  58  -1.313 -21.326  57.745
  635   1H5*    G  59          1H5*        G  59   3.684 -25.245  57.070
  636   2H5*    G  59          2H5*        G  59   3.349 -26.970  56.925
  637    H4*    G  59           H4*        G  59   1.959 -25.673  58.490
  638    H3*    G  59           H3*        G  59   0.636 -27.444  56.378
  639    H2*    G  59           H2*        G  59  -1.527 -26.741  57.349
  640   2HO*    G  59          2HO*        G  59  -1.739 -25.860  59.242
  641    H1*    G  59           H1*        G  59  -0.937 -24.083  57.631
  642    H8     G  59           H8         G  59   0.620 -24.727  54.298
  643    H1     G  59           H1         G  59  -5.786 -24.513  54.133
  644   1H2     G  59          1H2         G  59  -6.633 -24.599  56.223
  645   2H2     G  59          2H2         G  59  -5.570 -24.704  57.565
  646   1H5*    C  60          1H5*        C  60  -1.422 -28.719  59.940
  647   2H5*    C  60          2H5*        C  60  -1.418 -30.471  59.741
  648    H4*    C  60           H4*        C  60  -3.595 -29.564  60.133
  649    H3*    C  60           H3*        C  60  -3.199 -31.022  57.476
  650    H2*    C  60           H2*        C  60  -5.593 -30.580  57.040
  651   2HO*    C  60          2HO*        C  60  -6.974 -29.991  58.522
  652    H1*    C  60           H1*        C  60  -5.625 -27.977  57.886
  653   1H4     C  60          1H4         C  60  -4.688 -27.412  51.660
  654   2H4     C  60          2H4         C  60  -2.973 -27.508  51.885
  655    H5     C  60           H5         C  60  -1.938 -27.967  54.029
  656    H6     C  60           H6         C  60  -2.391 -28.427  56.396
  657   1H5*    A  61          1H5*        A  61  -6.858 -32.553  59.277
  658   2H5*    A  61          2H5*        A  61  -6.814 -34.268  58.868
  659    H4*    A  61           H4*        A  61  -8.866 -33.154  58.272
  660    H3*    A  61           H3*        A  61  -7.291 -34.484  56.015
  661    H2*    A  61           H2*        A  61  -9.130 -33.774  54.514
  662   2HO*    A  61          2HO*        A  61 -11.017 -33.089  55.198
  663    H1*    A  61           H1*        A  61  -9.400 -31.232  55.478
  664    H8     A  61           H8         A  61  -5.668 -32.003  55.450
  665   1H6     A  61          1H6         A  61  -5.739 -30.015  49.610
  666   2H6     A  61          2H6         A  61  -4.743 -30.510  50.936
  667    H2     A  61           H2         A  61  -9.981 -30.318  51.042
  668   1H5*    A  62          1H5*        A  62 -11.442 -36.071  55.762
  669   2H5*    A  62          2H5*        A  62 -11.235 -37.560  54.839
  670    H4*    A  62           H4*        A  62 -12.708 -35.688  53.974
  671    H3*    A  62           H3*        A  62 -10.787 -37.270  52.199
  672    H2*    A  62           H2*        A  62 -11.583 -35.853  50.330
  673   2HO*    A  62          2HO*        A  62 -13.652 -35.707  50.599
  674    H1*    A  62           H1*        A  62 -11.509 -33.463  51.650
  675    H8     A  62           H8         A  62  -8.400 -35.043  52.980
  676   1H6     A  62          1H6         A  62  -5.657 -33.443  47.691
  677   2H6     A  62          2H6         A  62  -5.418 -34.036  49.299
  678    H2     A  62           H2         A  62 -10.079 -32.842  47.218
  679   1H5*    G  63          1H5*        G  63 -14.520 -38.308  49.904
  680   2H5*    G  63          2H5*        G  63 -13.888 -39.724  49.064
  681    H4*    G  63           H4*        G  63 -14.563 -37.582  47.811
  682    H3*    G  63           H3*        G  63 -12.214 -39.378  47.100
  683    H2*    G  63           H2*        G  63 -11.639 -37.747  45.332
  684   2HO*    G  63          2HO*        G  63 -12.941 -36.190  44.688
  685    H1*    G  63           H1*        G  63 -11.901 -35.484  46.804
  686    H8     G  63           H8         G  63 -10.455 -37.361  49.582
  687    H1     G  63           H1         G  63  -6.228 -36.435  44.850
  688   1H2     G  63          1H2         G  63  -7.283 -35.780  42.966
  689   2H2     G  63          2H2         G  63  -8.989 -35.600  42.968
  690   1H5*    A  64          1H5*        A  64 -14.306 -40.072  43.234
  691   2H5*    A  64          2H5*        A  64 -14.093 -41.819  43.117
  692    H4*    A  64           H4*        A  64 -13.203 -40.509  41.270
  693    H3*    A  64           H3*        A  64 -11.314 -42.401  42.760
  694    H2*    A  64           H2*        A  64  -9.569 -41.707  41.186
  695   2HO*    A  64          2HO*        A  64 -10.027 -40.509  39.373
  696    H1*    A  64           H1*        A  64 -10.242 -39.024  41.055
  697    H8     A  64           H8         A  64 -10.343 -39.059  44.638
  698   1H6     A  64          1H6         A  64  -4.223 -39.812  44.820
  699   2H6     A  64          2H6         A  64  -5.635 -39.395  45.728
  700    H2     A  64           H2         A  64  -5.625 -40.705  40.651
  701   1H5*    G  65          1H5*        G  65 -10.570 -43.798  39.592
  702   2H5*    G  65          2H5*        G  65 -11.362 -45.306  39.132
  703    H4*    G  65           H4*        G  65  -9.529 -46.553  39.414
  704    H3*    G  65           H3*        G  65  -8.930 -45.510  41.821
  705    H2*    G  65           H2*        G  65  -8.084 -43.319  41.049
  706   2HO*    G  65          2HO*        G  65  -6.503 -44.200  42.269
  707    H1*    G  65           H1*        G  65  -6.476 -44.771  38.922
  708    H8     G  65           H8         G  65  -9.239 -42.254  38.037
  709    H1     G  65           H1         G  65  -3.233 -40.034  37.728
  710   1H2     G  65          1H2         G  65  -1.788 -41.542  38.583
  711   2H2     G  65          2H2         G  65  -2.380 -43.033  39.190
  712   1H5*    G  66          1H5*        G  66  -5.926 -49.536  41.990
  713   2H5*    G  66          2H5*        G  66  -5.761 -49.095  43.691
  714    H4*    G  66           H4*        G  66  -5.236 -47.496  41.244
  715    H3*    G  66           H3*        G  66  -3.429 -48.722  43.165
  716    H2*    G  66           H2*        G  66  -3.044 -46.798  44.438
  717   2HO*    G  66          2HO*        G  66  -1.768 -45.293  43.509
  718    H1*    G  66           H1*        G  66  -4.163 -44.955  42.283
  719    H8     G  66           H8         G  66  -3.612 -42.772  43.543
  720    H1     G  66           H1         G  66  -6.752 -44.921  48.703
  721   1H2     G  66          1H2         G  66  -7.339 -47.082  48.428
  722   2H2     G  66          2H2         G  66  -6.923 -47.894  46.975
  723   1H5*    C  67          1H5*        C  67  -2.508 -48.203  38.784
  724   2H5*    C  67          2H5*        C  67  -1.162 -49.107  38.089
  725    H4*    C  67           H4*        C  67  -1.297 -46.927  37.195
  726    H3*    C  67           H3*        C  67   1.221 -47.467  38.842
  727    H2*    C  67           H2*        C  67   1.923 -45.168  38.252
  728   2HO*    C  67          2HO*        C  67   1.373 -45.114  36.174
  729    H1*    C  67           H1*        C  67  -0.488 -43.949  38.676
  730   1H4     C  67          1H4         C  67   2.489 -43.165  44.200
  731   2H4     C  67          2H4         C  67   1.835 -44.656  44.788
  732    H5     C  67           H5         C  67   0.541 -46.173  43.409
  733    H6     C  67           H6         C  67  -0.371 -46.526  41.158
  734   1H5*    G  68          1H5*        G  68   3.605 -46.794  35.532
  735   2H5*    G  68          2H5*        G  68   4.625 -48.232  35.498
  736    H4*    G  68           H4*        G  68   5.941 -46.290  35.727
  737    H3*    G  68           H3*        G  68   5.993 -48.151  38.131
  738    H2*    G  68           H2*        G  68   7.511 -46.531  39.220
  739   2HO*    G  68          2HO*        G  68   8.496 -44.959  38.198
  740    H1*    G  68           H1*        G  68   6.144 -44.266  38.630
  741    H8     G  68           H8         G  68   3.237 -46.549  39.178
  742    H1     G  68           H1         G  68   6.191 -44.790  44.591
  743   1H2     G  68          1H2         G  68   8.175 -43.822  44.128
  744   2H2     G  68          2H2         G  68   8.678 -43.654  42.496
  745   1H5*    U  69          1H5*        U  69   9.999 -46.993  37.593
  746   2H5*    U  69          2H5*        U  69  10.901 -48.506  37.663
  747    H4*    U  69           H4*        U  69  11.791 -46.846  39.111
  748    H3*    U  69           H3*        U  69  10.719 -49.353  40.492
  749    H2*    U  69           H2*        U  69  11.476 -48.336  42.615
  750   2HO*    U  69          2HO*        U  69  12.807 -46.688  42.729
  751    H1*    U  69           H1*        U  69  10.582 -45.795  42.123
  752    H3     U  69           H3         U  69   7.709 -47.112  45.272
  753    H5     U  69           H5         U  69   6.324 -49.005  41.797
  754    H6     U  69           H6         U  69   8.291 -48.211  40.661
  755   1H5*    C  70          1H5*        C  70  14.404 -48.967  42.473
  756   2H5*    C  70          2H5*        C  70  15.096 -50.573  42.249
  757    H4*    C  70           H4*        C  70  15.173 -50.008  44.495
  758    H3*    C  70           H3*        C  70  13.137 -52.216  43.926
  759    H2*    C  70           H2*        C  70  12.625 -52.259  46.291
  760   2HO*    C  70          2HO*        C  70  13.927 -51.523  47.819
  761    H1*    C  70           H1*        C  70  12.962 -49.523  46.812
  762   1H4     C  70          1H4         C  70   6.693 -50.254  47.015
  763   2H4     C  70          2H4         C  70   6.594 -50.232  45.287
  764    H5     C  70           H5         C  70   8.542 -50.159  43.846
  765    H6     C  70           H6         C  70  10.995 -50.093  43.821
  766    H3T    C  70           H3T        C  70  15.034 -52.956  45.436
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   4.766 -45.759  56.972
    2   2H5*    G   1          2H5*        G   1   5.219 -46.518  55.427
    3    H4*    G   1           H4*        G   1   7.020 -45.828  57.709
    4    H3*    G   1           H3*        G   1   6.548 -44.290  55.127
    5    H2*    G   1           H2*        G   1   8.977 -43.822  55.093
    6   2HO*    G   1          2HO*        G   1  10.268 -44.146  56.753
    7    H1*    G   1           H1*        G   1   9.848 -46.325  55.676
    8    H8     G   1           H8         G   1   6.809 -46.949  53.493
    9    H1     G   1           H1         G   1  12.149 -45.411  50.294
   10   1H2     G   1          1H2         G   1  13.741 -44.685  51.719
   11   2H2     G   1          2H2         G   1  13.407 -44.616  53.399
   12    H5T    G   1           H5T        G   1   4.470 -48.042  56.983
   13   1H5*    A   2          1H5*        A   2   9.235 -41.976  57.418
   14   2H5*    A   2          2H5*        A   2   8.543 -40.354  57.373
   15    H4*    A   2           H4*        A   2  10.847 -40.357  56.829
   16    H3*    A   2           H3*        A   2   8.992 -39.469  54.566
   17    H2*    A   2           H2*        A   2  11.024 -39.079  53.229
   18   2HO*    A   2          2HO*        A   2  12.970 -38.920  54.047
   19    H1*    A   2           H1*        A   2  12.391 -41.339  53.995
   20    H8     A   2           H8         A   2   8.834 -42.495  53.441
   21   1H6     A   2          1H6         A   2  10.298 -42.944  47.464
   22   2H6     A   2          2H6         A   2   9.112 -43.302  48.673
   23    H2     A   2           H2         A   2  13.647 -40.829  49.576
   24   1H5*    C   3          1H5*        C   3  11.832 -36.589  54.455
   25   2H5*    C   3          2H5*        C   3  10.986 -35.044  54.362
   26    H4*    C   3           H4*        C   3  12.562 -35.280  52.628
   27    H3*    C   3           H3*        C   3   9.654 -35.166  51.686
   28    H2*    C   3           H2*        C   3  10.489 -35.329  49.401
   29   2HO*    C   3          2HO*        C   3  12.455 -34.836  48.813
   30    H1*    C   3           H1*        C   3  12.582 -37.097  49.891
   31   1H4     C   3          1H4         C   3   8.101 -40.709  47.261
   32   2H4     C   3          2H4         C   3   7.403 -41.008  48.816
   33    H5     C   3           H5         C   3   8.163 -39.918  50.844
   34    H6     C   3           H6         C   3   9.774 -38.304  51.750
   35   1H5*    G   4          1H5*        G   4  11.295 -31.603  49.549
   36   2H5*    G   4          2H5*        G   4   9.975 -30.465  49.812
   37    H4*    G   4           H4*        G   4  10.658 -30.742  47.503
   38    H3*    G   4           H3*        G   4   7.733 -31.287  48.209
   39    H2*    G   4           H2*        G   4   7.381 -31.726  45.802
   40   2HO*    G   4          2HO*        G   4   8.706 -31.126  44.289
   41    H1*    G   4           H1*        G   4   9.642 -33.213  45.384
   42    H8     G   4           H8         G   4   8.378 -34.372  48.764
   43    H1     G   4           H1         G   4   5.311 -36.922  43.745
   44   1H2     G   4          1H2         G   4   5.883 -35.850  41.843
   45   2H2     G   4          2H2         G   4   7.001 -34.551  41.905
   46   1H5*    G   5          1H5*        G   5   5.039 -28.119  45.301
   47   2H5*    G   5          2H5*        G   5   4.500 -29.546  46.186
   48    H4*    G   5           H4*        G   5   5.670 -29.479  43.447
   49    H3*    G   5           H3*        G   5   2.733 -29.549  44.231
   50    H2*    G   5           H2*        G   5   2.389 -31.154  42.378
   51   2HO*    G   5          2HO*        G   5   3.779 -31.484  40.831
   52    H1*    G   5           H1*        G   5   4.513 -32.765  42.875
   53    H8     G   5           H8         G   5   3.828 -32.302  46.421
   54    H1     G   5           H1         G   5  -0.878 -35.521  43.488
   55   1H2     G   5          1H2         G   5  -0.706 -35.305  41.248
   56   2H2     G   5          2H2         G   5   0.571 -34.374  40.582
   57   1H5*    C   6          1H5*        C   6   2.151 -29.371  40.296
   58   2H5*    C   6          2H5*        C   6   1.191 -27.913  40.047
   59    H4*    C   6           H4*        C   6   0.171 -29.738  39.000
   60    H3*    C   6           H3*        C   6  -1.415 -28.683  41.390
   61    H2*    C   6           H2*        C   6  -3.111 -30.401  40.834
   62   2HO*    C   6          2HO*        C   6  -3.116 -31.506  38.997
   63    H1*    C   6           H1*        C   6  -1.381 -32.466  40.391
   64   1H4     C   6          1H4         C   6  -2.873 -33.267  46.475
   65   2H4     C   6          2H4         C   6  -1.631 -32.162  46.960
   66    H5     C   6           H5         C   6  -0.296 -30.890  45.386
   67    H6     C   6           H6         C   6   0.083 -30.449  43.002
   68   1H5*    U   7          1H5*        U   7  -4.595 -28.656  38.482
   69   2H5*    U   7          2H5*        U   7  -5.121 -26.979  38.642
   70    H4*    U   7           H4*        U   7  -6.964 -28.378  38.813
   71    H3*    U   7           H3*        U   7  -6.260 -27.067  41.485
   72    H2*    U   7           H2*        U   7  -8.231 -28.220  42.418
   73   2HO*    U   7          2HO*        U   7  -9.784 -29.035  41.253
   74    H1*    U   7           H1*        U   7  -7.848 -30.638  41.173
   75    H3     U   7           H3         U   7  -6.996 -31.606  45.460
   76    H5     U   7           H5         U   7  -3.469 -29.795  44.095
   77    H6     U   7           H6         U   7  -4.612 -29.271  42.044
   78   1H5*    U   8          1H5*        U   8 -10.396 -26.429  41.070
   79   2H5*    U   8          2H5*        U   8 -10.696 -24.821  41.728
   80    H4*    U   8           H4*        U   8 -11.990 -26.604  42.723
   81    H3*    U   8           H3*        U   8 -10.230 -24.916  44.569
   82    H2*    U   8           H2*        U   8 -11.059 -26.256  46.429
   83   2HO*    U   8          2HO*        U   8 -12.845 -27.412  46.368
   84    H1*    U   8           H1*        U   8 -11.171 -28.704  45.106
   85    H3     U   8           H3         U   8  -8.190 -29.293  48.432
   86    H5     U   8           H5         U   8  -6.015 -27.464  45.350
   87    H6     U   8           H6         U   8  -8.089 -27.125  44.179
   88   1H5*    G   9          1H5*        G   9 -14.414 -25.147  46.080
   89   2H5*    G   9          2H5*        G   9 -14.698 -23.530  46.723
   90    H4*    G   9           H4*        G   9 -15.365 -25.297  48.215
   91    H3*    G   9           H3*        G   9 -13.268 -23.331  49.216
   92    H2*    G   9           H2*        G   9 -13.238 -24.617  51.331
   93   2HO*    G   9          2HO*        G   9 -14.704 -26.062  51.858
   94    H1*    G   9           H1*        G   9 -13.143 -27.106  50.252
   95    H8     G   9           H8         G   9 -11.039 -24.897  47.951
   96    H1     G   9           H1         G   9  -8.013 -27.112  53.152
   97   1H2     G   9          1H2         G   9  -9.480 -28.084  54.565
   98   2H2     G   9          2H2         G   9 -11.143 -28.141  54.153
   99   1H5*    C  10          1H5*        C  10 -15.755 -23.659  52.511
  100   2H5*    C  10          2H5*        C  10 -16.089 -21.991  52.976
  101    H4*    C  10           H4*        C  10 -15.312 -23.195  54.821
  102    H3*    C  10           H3*        C  10 -13.335 -21.072  53.859
  103    H2*    C  10           H2*        C  10 -11.899 -21.760  55.758
  104   2HO*    C  10          2HO*        C  10 -12.572 -22.954  57.376
  105    H1*    C  10           H1*        C  10 -12.177 -24.457  55.444
  106   1H4     C  10          1H4         C  10  -6.920 -23.306  52.146
  107   2H4     C  10          2H4         C  10  -7.846 -22.870  50.750
  108    H5     C  10           H5         C  10 -10.265 -22.718  50.754
  109    H6     C  10           H6         C  10 -12.270 -22.969  52.147
  110   1H5*    U  11          1H5*        U  11 -13.378 -20.434  57.867
  111   2H5*    U  11          2H5*        U  11 -13.456 -18.690  58.114
  112    H4*    U  11           H4*        U  11 -11.613 -19.612  59.243
  113    H3*    U  11           H3*        U  11 -10.854 -17.760  56.936
  114    H2*    U  11           H2*        U  11  -8.493 -18.171  57.567
  115   2HO*    U  11          2HO*        U  11  -7.899 -19.065  59.402
  116    H1*    U  11           H1*        U  11  -8.687 -20.870  57.913
  117    H3     U  11           H3         U  11  -6.425 -20.699  54.077
  118    H5     U  11           H5         U  11 -10.374 -19.862  52.943
  119    H6     U  11           H6         U  11 -10.962 -19.810  55.275
  120   1H5*    G  12          1H5*        G  12  -8.424 -16.852  60.275
  121   2H5*    G  12          2H5*        G  12  -8.427 -15.091  60.385
  122    H4*    G  12           H4*        G  12  -6.245 -16.168  60.464
  123    H3*    G  12           H3*        G  12  -6.787 -13.993  58.418
  124    H2*    G  12           H2*        G  12  -4.723 -14.374  57.355
  125   2HO*    G  12          2HO*        G  12  -2.938 -15.010  58.381
  126    H1*    G  12           H1*        G  12  -4.273 -17.070  58.279
  127    H8     G  12           H8         G  12  -7.203 -17.185  55.975
  128    H1     G  12           H1         G  12  -1.576 -16.753  52.931
  129   1H2     G  12          1H2         G  12   0.066 -16.210  54.380
  130   2H2     G  12          2H2         G  12  -0.308 -15.982  56.039
  131   1H5*    A  13          1H5*        A  13  -3.300 -13.079  60.337
  132   2H5*    A  13          2H5*        A  13  -3.106 -11.372  60.733
  133    H4*    A  13           H4*        A  13  -1.278 -12.401  59.473
  134    H3*    A  13           H3*        A  13  -2.566  -9.846  58.641
  135    H2*    A  13           H2*        A  13  -2.022 -10.031  56.405
  136   2HO*    A  13          2HO*        A  13   0.149 -10.806  55.884
  137    H1*    A  13           H1*        A  13  -0.692 -12.693  56.613
  138    H8     A  13           H8         A  13  -4.429 -12.155  55.809
  139   1H6     A  13          1H6         A  13  -2.817 -13.548  50.019
  140   2H6     A  13          2H6         A  13  -4.133 -13.208  51.091
  141    H2     A  13           H2         A  13   0.917 -13.304  52.497
  142   1H5*    A  14          1H5*        A  14   2.454  -6.911  58.569
  143   2H5*    A  14          2H5*        A  14   1.061  -6.996  57.492
  144    H4*    A  14           H4*        A  14   3.548  -8.643  57.412
  145    H3*    A  14           H3*        A  14   3.560  -6.198  56.301
  146    H2*    A  14           H2*        A  14   1.485  -6.414  54.965
  147   2HO*    A  14          2HO*        A  14   2.908  -5.787  53.523
  148    H1*    A  14           H1*        A  14   2.462  -9.125  54.021
  149    H8     A  14           H8         A  14  -0.768  -8.047  55.915
  150   1H6     A  14          1H6         A  14  -3.690 -10.164  50.910
  151   2H6     A  14          2H6         A  14  -3.878  -9.481  52.489
  152    H2     A  14           H2         A  14   0.729 -10.523  50.214
  153   1H5*    G  15          1H5*        G  15   6.689  -5.631  52.338
  154   2H5*    G  15          2H5*        G  15   4.980  -6.058  52.422
  155    H4*    G  15           H4*        G  15   7.145  -7.763  51.307
  156    H3*    G  15           H3*        G  15   5.380  -5.802  49.769
  157    H2*    G  15           H2*        G  15   5.300  -7.501  47.967
  158   2HO*    G  15          2HO*        G  15   6.601  -9.176  47.863
  159    H1*    G  15           H1*        G  15   4.860  -9.675  49.550
  160    H8     G  15           H8         G  15   2.613  -7.539  51.471
  161    H1     G  15           H1         G  15   0.404  -8.606  45.547
  162   1H2     G  15          1H2         G  15   2.040  -9.440  44.234
  163   2H2     G  15          2H2         G  15   3.605  -9.696  44.887
  164   1H5*    C  16          1H5*        C  16   8.328  -6.100  46.852
  165   2H5*    C  16          2H5*        C  16   8.729  -4.443  46.403
  166    H4*    C  16           H4*        C  16   8.063  -5.722  44.531
  167    H3*    C  16           H3*        C  16   6.184  -3.412  45.228
  168    H2*    C  16           H2*        C  16   4.866  -4.067  43.245
  169   2HO*    C  16          2HO*        C  16   5.588  -5.323  41.707
  170    H1*    C  16           H1*        C  16   4.967  -6.781  43.636
  171   1H4     C  16          1H4         C  16  -0.574  -5.215  46.235
  172   2H4     C  16          2H4         C  16   0.199  -4.846  47.740
  173    H5     C  16           H5         C  16   2.605  -4.874  48.038
  174    H6     C  16           H6         C  16   4.744  -5.271  46.902
  175   1H5*    G  17          1H5*        G  17   6.842  -3.078  41.040
  176   2H5*    G  17          2H5*        G  17   7.014  -1.343  40.769
  177    H4*    G  17           H4*        G  17   5.375  -2.305  39.359
  178    H3*    G  17           H3*        G  17   4.305  -0.261  41.366
  179    H2*    G  17           H2*        G  17   2.090  -0.614  40.341
  180   2HO*    G  17          2HO*        G  17   1.788  -1.547  38.460
  181    H1*    G  17           H1*        G  17   2.243  -3.346  40.098
  182    H8     G  17           H8         G  17   3.681  -2.265  43.495
  183    H1     G  17           H1         G  17  -2.663  -3.171  43.323
  184   1H2     G  17          1H2         G  17  -3.359  -3.482  41.199
  185   2H2     G  17          2H2         G  17  -2.217  -3.453  39.919
  186   1H5*    C  18          1H5*        C  18   2.778   0.748  37.459
  187   2H5*    C  18          2H5*        C  18   2.753   2.511  37.421
  188    H4*    C  18           H4*        C  18   0.664   1.531  36.819
  189    H3*    C  18           H3*        C  18   0.640   3.296  39.316
  190    H2*    C  18           H2*        C  18  -1.788   2.865  39.430
  191   2HO*    C  18          2HO*        C  18  -2.933   2.106  37.825
  192    H1*    C  18           H1*        C  18  -1.699   0.186  38.841
  193   1H4     C  18          1H4         C  18  -1.852   0.009  45.138
  194   2H4     C  18          2H4         C  18  -0.194   0.496  45.251
  195    H5     C  18           H5         C  18   1.153   1.078  43.322
  196    H6     C  18           H6         C  18   1.135   1.299  40.878
  197   1H5*    G  19          1H5*        G  19  -2.527   4.884  36.823
  198   2H5*    G  19          2H5*        G  19  -2.644   6.580  37.289
  199    H4*    G  19           H4*        G  19  -4.664   5.223  37.557
  200    H3*    G  19           H3*        G  19  -3.600   6.808  39.946
  201    H2*    G  19           H2*        G  19  -5.533   5.952  41.209
  202   2HO*    G  19          2HO*        G  19  -7.250   5.090  40.312
  203    H1*    G  19           H1*        G  19  -5.469   3.372  40.253
  204    H8     G  19           H8         G  19  -1.849   4.297  40.941
  205    H1     G  19           H1         G  19  -5.201   2.530  46.114
  206   1H2     G  19          1H2         G  19  -7.400   2.400  45.622
  207   2H2     G  19          2H2         G  19  -7.936   2.755  44.033
  208   1H5*    C  20          1H5*        C  20  -7.308   8.436  40.100
  209   2H5*    C  20          2H5*        C  20  -7.070  10.181  40.178
  210    H4*    C  20           H4*        C  20  -8.322   9.471  42.006
  211    H3*    C  20           H3*        C  20  -5.516  10.402  42.796
  212    H2*    C  20           H2*        C  20  -6.146   9.950  45.119
  213   2HO*    C  20          2HO*        C  20  -8.032  10.697  45.448
  214    H1*    C  20           H1*        C  20  -7.597   7.633  44.661
  215   1H4     C  20          1H4         C  20  -2.148   5.192  46.656
  216   2H4     C  20          2H4         C  20  -1.309   5.724  45.239
  217    H5     C  20           H5         C  20  -2.357   7.037  43.492
  218    H6     C  20           H6         C  20  -4.456   8.095  42.787
  219   1H5*    A  21          1H5*        A  21  -6.357  14.681  45.662
  220   2H5*    A  21          2H5*        A  21  -4.987  13.573  45.734
  221    H4*    A  21           H4*        A  21  -7.372  13.801  47.474
  222    H3*    A  21           H3*        A  21  -4.402  13.960  48.047
  223    H2*    A  21           H2*        A  21  -4.832  12.832  50.193
  224   2HO*    A  21          2HO*        A  21  -6.784  12.571  51.030
  225    H1*    A  21           H1*        A  21  -6.466  10.860  49.319
  226    H8     A  21           H8         A  21  -4.349  10.805  46.333
  227   1H6     A  21          1H6         A  21   0.004   7.987  49.676
  228   2H6     A  21          2H6         A  21  -0.519   8.410  48.082
  229    H2     A  21           H2         A  21  -3.086   9.626  52.487
  230   1H5*    C  22          1H5*        C  22  -5.699  14.769  51.725
  231   2H5*    C  22          2H5*        C  22  -5.199  16.442  51.977
  232    H4*    C  22           H4*        C  22  -4.616  15.081  53.827
  233    H3*    C  22           H3*        C  22  -2.279  16.286  52.303
  234    H2*    C  22           H2*        C  22  -0.778  15.118  53.885
  235   2HO*    C  22          2HO*        C  22  -1.414  14.273  55.712
  236    H1*    C  22           H1*        C  22  -1.989  12.695  53.848
  237   1H4     C  22          1H4         C  22   2.283  12.433  49.155
  238   2H4     C  22          2H4         C  22   0.987  12.556  48.014
  239    H5     C  22           H5         C  22  -1.309  13.000  48.656
  240    H6     C  22           H6         C  22  -2.794  13.415  50.564
  241   1H5*    G  23          1H5*        G  23  -1.427  16.852  56.251
  242   2H5*    G  23          2H5*        G  23  -1.015  18.549  56.500
  243    H4*    G  23           H4*        G  23   0.544  16.981  57.469
  244    H3*    G  23           H3*        G  23   1.638  18.972  55.424
  245    H2*    G  23           H2*        G  23   3.861  17.967  55.855
  246   2HO*    G  23          2HO*        G  23   4.302  16.747  57.515
  247    H1*    G  23           H1*        G  23   3.071  15.352  55.818
  248    H8     G  23           H8         G  23   0.977  16.207  52.980
  249    H1     G  23           H1         G  23   7.201  16.864  51.583
  250   1H2     G  23          1H2         G  23   8.436  16.887  53.473
  251   2H2     G  23          2H2         G  23   7.660  16.736  54.995
  252   1H5*    G  24          1H5*        G  24   3.950  20.362  58.491
  253   2H5*    G  24          2H5*        G  24   4.003  22.121  58.372
  254    H4*    G  24           H4*        G  24   6.132  21.020  58.081
  255    H3*    G  24           H3*        G  24   5.137  22.793  55.798
  256    H2*    G  24           H2*        G  24   7.255  22.267  54.646
  257   2HO*    G  24          2HO*        G  24   8.958  21.503  55.603
  258    H1*    G  24           H1*        G  24   7.328  19.591  55.249
  259    H8     G  24           H8         G  24   3.717  19.917  54.414
  260    H1     G  24           H1         G  24   7.543  20.229  49.278
  261   1H2     G  24          1H2         G  24   9.690  20.514  49.910
  262   2H2     G  24          2H2         G  24  10.078  20.612  51.577
  263   1H5*    C  25          1H5*        C  25   9.071  24.361  56.459
  264   2H5*    C  25          2H5*        C  25   8.805  26.104  56.429
  265    H4*    C  25           H4*        C  25  10.529  25.423  54.943
  266    H3*    C  25           H3*        C  25   8.087  26.696  53.617
  267    H2*    C  25           H2*        C  25   9.300  26.433  51.472
  268   2HO*    C  25          2HO*        C  25  11.362  26.064  51.324
  269    H1*    C  25           H1*        C  25  10.197  23.888  51.892
  270   1H4     C  25          1H4         C  25   4.826  22.890  48.725
  271   2H4     C  25          2H4         C  25   3.909  22.956  50.191
  272    H5     C  25           H5         C  25   4.879  23.515  52.341
  273    H6     C  25           H6         C  25   6.964  24.124  53.483
  274   1H5*    A  26          1H5*        A  26  11.565  28.751  51.943
  275   2H5*    A  26          2H5*        A  26  10.992  30.415  51.836
  276    H4*    A  26           H4*        A  26  11.897  29.563  49.782
  277    H3*    A  26           H3*        A  26   8.978  30.467  49.729
  278    H2*    A  26           H2*        A  26   9.000  29.902  47.317
  279   2HO*    A  26          2HO*        A  26  10.750  29.618  46.191
  280    H1*    A  26           H1*        A  26  10.304  27.512  47.533
  281    H8     A  26           H8         A  26   7.939  27.748  50.513
  282   1H6     A  26          1H6         A  26   3.677  25.315  46.776
  283   2H6     A  26          2H6         A  26   4.054  25.773  48.401
  284    H2     A  26           H2         A  26   7.292  26.326  44.315
  285   1H5*    A  27          1H5*        A  27  10.906  32.624  46.416
  286   2H5*    A  27          2H5*        A  27   9.880  34.044  46.211
  287    H4*    A  27           H4*        A  27  10.174  32.493  44.286
  288    H3*    A  27           H3*        A  27   7.401  33.455  45.140
  289    H2*    A  27           H2*        A  27   6.518  32.119  43.249
  290   2HO*    A  27          2HO*        A  27   7.684  31.425  41.658
  291    H1*    A  27           H1*        A  27   8.033  29.885  43.668
  292    H8     A  27           H8         A  27   7.176  30.924  47.176
  293   1H6     A  27          1H6         A  27   1.756  28.099  46.339
  294   2H6     A  27          2H6         A  27   2.816  28.838  47.490
  295    H2     A  27           H2         A  27   3.827  28.370  42.367
  296   1H5*    G  28          1H5*        G  28   7.189  34.580  40.980
  297   2H5*    G  28          2H5*        G  28   6.150  36.003  41.056
  298    H4*    G  28           H4*        G  28   5.379  34.047  39.740
  299    H3*    G  28           H3*        G  28   3.540  35.379  41.790
  300    H2*    G  28           H2*        G  28   1.827  33.738  41.128
  301   2HO*    G  28          2HO*        G  28   1.920  32.576  39.351
  302    H1*    G  28           H1*        G  28   3.483  31.545  40.954
  303    H8     G  28           H8         G  28   4.796  32.914  44.123
  304    H1     G  28           H1         G  28  -1.104  30.481  44.739
  305   1H2     G  28          1H2         G  28  -2.034  30.144  42.711
  306   2H2     G  28          2H2         G  28  -1.149  30.537  41.296
  307   1H5*    A  29          1H5*        A  29   2.103  36.969  38.038
  308   2H5*    A  29          2H5*        A  29   1.286  38.524  38.210
  309    H4*    A  29           H4*        A  29  -0.061  36.363  37.972
  310    H3*    A  29           H3*        A  29  -0.756  38.804  39.348
  311    H2*    A  29           H2*        A  29  -1.288  37.828  41.420
  312   2HO*    A  29          2HO*        A  29  -3.211  36.496  39.870
  313    H1*    A  29           H1*        A  29  -1.610  35.065  40.171
  314    H8     A  29           H8         A  29   1.212  35.937  42.592
  315   1H6     A  29          1H6         A  29  -2.006  32.648  46.701
  316   2H6     A  29          2H6         A  29  -0.519  33.476  46.387
  317    H2     A  29           H2         A  29  -4.507  33.110  43.003
  318   1H5*    G  30          1H5*        G  30  -3.821  40.849  39.968
  319   2H5*    G  30          2H5*        G  30  -2.641  39.639  40.475
  320    H4*    G  30           H4*        G  30  -5.181  40.254  41.520
  321    H3*    G  30           H3*        G  30  -2.824  38.846  42.491
  322    H2*    G  30           H2*        G  30  -3.840  36.753  42.715
  323   2HO*    G  30          2HO*        G  30  -5.065  36.525  44.431
  324    H1*    G  30           H1*        G  30  -6.652  37.910  42.515
  325    H8     G  30           H8         G  30  -5.384  35.881  39.602
  326    H1     G  30           H1         G  30  -8.799  32.605  43.928
  327   1H2     G  30          1H2         G  30  -9.116  33.846  45.787
  328   2H2     G  30          2H2         G  30  -8.468  35.431  45.868
  329   1H5*    G  31          1H5*        G  31  -5.070  42.012  45.477
  330   2H5*    G  31          2H5*        G  31  -4.583  41.618  47.126
  331    H4*    G  31           H4*        G  31  -5.779  39.914  45.017
  332    H3*    G  31           H3*        G  31  -6.823  40.914  47.530
  333    H2*    G  31           H2*        G  31  -6.395  38.987  48.796
  334   2HO*    G  31          2HO*        G  31  -8.081  37.825  46.875
  335    H1*    G  31           H1*        G  31  -6.036  37.262  46.310
  336    H8     G  31           H8         G  31  -2.937  37.972  48.306
  337    H1     G  31           H1         G  31  -5.989  32.565  49.906
  338   1H2     G  31          1H2         G  31  -8.032  32.499  48.949
  339   2H2     G  31          2H2         G  31  -8.544  33.799  47.955
  340   1H5*    C  32          1H5*        C  32 -11.420  41.734  47.156
  341   2H5*    C  32          2H5*        C  32 -11.275  41.201  48.831
  342    H4*    C  32           H4*        C  32 -12.279  39.858  46.512
  343    H3*    C  32           H3*        C  32 -12.646  39.483  49.487
  344    H2*    C  32           H2*        C  32 -13.154  37.120  49.073
  345   2HO*    C  32          2HO*        C  32 -14.418  37.306  47.332
  346    H1*    C  32           H1*        C  32 -11.167  36.508  47.344
  347   1H4     C  32          1H4         C  32  -8.512  35.286  52.942
  348   2H4     C  32          2H4         C  32  -7.808  36.869  52.963
  349    H5     C  32           H5         C  32  -8.298  38.562  51.299
  350    H6     C  32           H6         C  32  -9.588  39.038  49.267
  351   1H5*    G  33          1H5*        G  33 -16.434  38.225  49.324
  352   2H5*    G  33          2H5*        G  33 -17.275  39.484  50.228
  353    H4*    G  33           H4*        G  33 -17.574  37.428  51.305
  354    H3*    G  33           H3*        G  33 -15.852  39.385  52.863
  355    H2*    G  33           H2*        G  33 -15.592  37.634  54.588
  356   2HO*    G  33          2HO*        G  33 -16.796  35.901  54.705
  357    H1*    G  33           H1*        G  33 -15.042  35.547  52.954
  358    H8     G  33           H8         G  33 -13.291  38.269  51.068
  359    H1     G  33           H1         G  33 -10.186  36.339  56.336
  360   1H2     G  33          1H2         G  33 -11.528  35.055  57.616
  361   2H2     G  33          2H2         G  33 -13.133  34.733  57.106
  362   1H5*    U  34          1H5*        U  34 -18.383  37.742  55.773
  363   2H5*    U  34          2H5*        U  34 -18.975  39.132  56.682
  364    H4*    U  34           H4*        U  34 -18.065  37.457  58.093
  365    H3*    U  34           H3*        U  34 -16.584  40.131  58.128
  366    H2*    U  34           H2*        U  34 -15.108  39.125  59.843
  367   2HO*    U  34          2HO*        U  34 -15.562  37.340  60.893
  368    H1*    U  34           H1*        U  34 -14.766  36.701  58.627
  369    H3     U  34           H3         U  34 -10.742  38.504  57.980
  370    H5     U  34           H5         U  34 -13.159  40.420  55.140
  371    H6     U  34           H6         U  34 -15.064  39.329  56.122
  372   1H5*    C  35          1H5*        C  35 -16.902  39.298  62.266
  373   2H5*    C  35          2H5*        C  35 -17.614  40.795  62.868
  374    H4*    C  35           H4*        C  35 -15.767  40.303  64.154
  375    H3*    C  35           H3*        C  35 -15.219  42.677  62.304
  376    H2*    C  35           H2*        C  35 -12.997  42.811  63.327
  377   2HO*    C  35          2HO*        C  35 -12.478  41.886  65.179
  378    H1*    C  35           H1*        C  35 -12.521  40.088  63.521
  379   1H4     C  35          1H4         C  35  -9.215  41.684  58.387
  380   2H4     C  35          2H4         C  35 -10.643  41.661  57.407
  381    H5     C  35           H5         C  35 -12.865  41.299  58.306
  382    H6     C  35           H6         C  35 -14.132  40.885  60.367
  383    H3T    C  35           H3T        C  35 -15.132  43.274  64.761
  384   1H5*    G  36          1H5*        G  36   1.414  42.018  60.071
  385   2H5*    G  36          2H5*        G  36   0.017  42.806  59.300
  386    H4*    G  36           H4*        G  36   0.320  42.054  62.176
  387    H3*    G  36           H3*        G  36  -1.167  40.576  59.969
  388    H2*    G  36           H2*        G  36  -2.924  40.084  61.642
  389   2HO*    G  36          2HO*        G  36  -2.673  40.358  63.736
  390    H1*    G  36           H1*        G  36  -3.108  42.567  62.725
  391    H8     G  36           H8         G  36  -2.491  43.252  59.044
  392    H1     G  36           H1         G  36  -8.548  41.765  60.528
  393   1H2     G  36          1H2         G  36  -8.678  41.003  62.648
  394   2H2     G  36          2H2         G  36  -7.255  40.900  63.600
  395    H5T    G  36           H5T        G  36   1.653  44.303  59.920
  396   1H5*    A  37          1H5*        A  37  -1.508  38.150  63.400
  397   2H5*    A  37          2H5*        A  37  -1.072  36.540  62.826
  398    H4*    A  37           H4*        A  37  -3.106  36.531  64.031
  399    H3*    A  37           H3*        A  37  -3.365  35.776  61.079
  400    H2*    A  37           H2*        A  37  -5.762  35.418  61.514
  401   2HO*    A  37          2HO*        A  37  -6.595  35.184  63.445
  402    H1*    A  37           H1*        A  37  -6.164  37.613  63.122
  403    H8     A  37           H8         A  37  -3.984  38.858  60.295
  404   1H6     A  37          1H6         A  37  -9.198  39.558  57.070
  405   2H6     A  37          2H6         A  37  -7.498  39.881  57.122
  406    H2     A  37           H2         A  37 -10.159  37.286  60.820
  407   1H5*    C  38          1H5*        C  38  -5.513  32.875  62.838
  408   2H5*    C  38          2H5*        C  38  -5.006  31.337  62.139
  409    H4*    C  38           H4*        C  38  -7.332  31.614  61.985
  410    H3*    C  38           H3*        C  38  -5.902  31.609  59.281
  411    H2*    C  38           H2*        C  38  -8.089  31.855  58.232
  412   2HO*    C  38          2HO*        C  38  -9.914  31.337  59.151
  413    H1*    C  38           H1*        C  38  -9.226  33.548  60.127
  414   1H4     C  38          1H4         C  38  -7.799  37.385  55.303
  415   2H4     C  38          2H4         C  38  -6.206  37.623  55.938
  416    H5     C  38           H5         C  38  -5.349  36.420  57.859
  417    H6     C  38           H6         C  38  -5.895  34.728  59.552
  418   1H5*    G  39          1H5*        G  39  -8.701  28.298  58.786
  419   2H5*    G  39          2H5*        G  39  -7.671  27.030  58.124
  420    H4*    G  39           H4*        G  39  -9.658  27.345  56.857
  421    H3*    G  39           H3*        G  39  -7.048  27.929  55.376
  422    H2*    G  39           H2*        G  39  -8.453  28.388  53.387
  423   2HO*    G  39          2HO*        G  39 -10.447  27.782  53.194
  424    H1*    G  39           H1*        G  39 -10.363  29.877  54.649
  425    H8     G  39           H8         G  39  -7.083  30.916  56.269
  426    H1     G  39           H1         G  39  -8.326  33.724  50.641
  427   1H2     G  39          1H2         G  39 -10.084  32.730  49.634
  428   2H2     G  39          2H2         G  39 -10.871  31.416  50.405
  429   1H5*    G  40          1H5*        G  40  -7.412  24.741  51.305
  430   2H5*    G  40          2H5*        G  40  -6.276  26.067  51.555
  431    H4*    G  40           H4*        G  40  -9.051  26.236  50.482
  432    H3*    G  40           H3*        G  40  -6.418  26.237  48.959
  433    H2*    G  40           H2*        G  40  -7.400  27.964  47.483
  434   2HO*    G  40          2HO*        G  40  -9.450  28.389  47.371
  435    H1*    G  40           H1*        G  40  -8.465  29.546  49.411
  436    H8     G  40           H8         G  40  -5.504  28.848  51.406
  437    H1     G  40           H1         G  40  -4.080  32.218  46.140
  438   1H2     G  40          1H2         G  40  -5.792  32.149  44.673
  439   2H2     G  40          2H2         G  40  -7.213  31.272  45.066
  440   1H5*    C  41          1H5*        C  41  -8.735  26.123  45.707
  441   2H5*    C  41          2H5*        C  41  -8.221  24.683  44.826
  442    H4*    C  41           H4*        C  41  -8.160  26.559  43.427
  443    H3*    C  41           H3*        C  41  -5.391  25.428  44.056
  444    H2*    C  41           H2*        C  41  -4.496  27.183  42.551
  445   2HO*    C  41          2HO*        C  41  -5.727  28.359  41.245
  446    H1*    C  41           H1*        C  41  -6.024  29.246  43.479
  447   1H4     C  41          1H4         C  41  -0.773  29.833  46.935
  448   2H4     C  41          2H4         C  41  -1.367  28.692  48.095
  449    H5     C  41           H5         C  41  -3.437  27.464  47.808
  450    H6     C  41           H6         C  41  -5.347  27.110  46.309
  451   1H5*    U  42          1H5*        U  42  -5.065  25.538  39.765
  452   2H5*    U  42          2H5*        U  42  -4.603  23.864  39.458
  453    H4*    U  42           H4*        U  42  -3.120  25.275  38.367
  454    H3*    U  42           H3*        U  42  -1.820  23.858  40.745
  455    H2*    U  42           H2*        U  42   0.273  24.998  40.109
  456   2HO*    U  42          2HO*        U  42   0.618  25.869  38.224
  457    H1*    U  42           H1*        U  42  -0.820  27.456  39.549
  458    H3     U  42           H3         U  42   1.526  28.261  43.276
  459    H5     U  42           H5         U  42  -2.003  26.462  44.652
  460    H6     U  42           H6         U  42  -2.593  26.024  42.361
  461   1H5*    U  43          1H5*        U  43   0.886  23.265  37.571
  462   2H5*    U  43          2H5*        U  43   1.535  21.642  37.801
  463    H4*    U  43           H4*        U  43   3.177  23.422  37.681
  464    H3*    U  43           H3*        U  43   3.162  21.636  40.164
  465    H2*    U  43           H2*        U  43   5.052  22.927  40.993
  466   2HO*    U  43          2HO*        U  43   6.322  24.116  39.765
  467    H1*    U  43           H1*        U  43   4.254  25.422  40.037
  468    H3     U  43           H3         U  43   4.419  25.855  44.521
  469    H5     U  43           H5         U  43   0.682  24.122  43.740
  470    H6     U  43           H6         U  43   1.364  23.846  41.449
  471   1H5*    G  44          1H5*        G  44   7.241  21.903  38.349
  472   2H5*    G  44          2H5*        G  44   7.867  20.267  38.554
  473    H4*    G  44           H4*        G  44   9.415  21.987  39.219
  474    H3*    G  44           H3*        G  44   8.578  19.957  41.326
  475    H2*    G  44           H2*        G  44  10.044  21.165  42.912
  476   2HO*    G  44          2HO*        G  44  11.481  22.621  42.321
  477    H1*    G  44           H1*        G  44   9.259  23.690  42.300
  478    H8     G  44           H8         G  44   6.120  21.528  42.015
  479    H1     G  44           H1         G  44   7.569  23.504  47.940
  480   1H2     G  44          1H2         G  44   9.617  24.451  47.978
  481   2H2     G  44          2H2         G  44  10.532  24.552  46.531
  482   1H5*    C  45          1H5*        C  45  12.653  20.226  41.996
  483   2H5*    C  45          2H5*        C  45  13.199  18.549  42.029
  484    H4*    C  45           H4*        C  45  13.930  19.663  43.947
  485    H3*    C  45           H3*        C  45  11.808  17.544  44.535
  486    H2*    C  45           H2*        C  45  12.098  18.129  46.926
  487   2HO*    C  45          2HO*        C  45  13.722  19.274  47.673
  488    H1*    C  45           H1*        C  45  12.121  20.842  46.617
  489   1H4     C  45          1H4         C  45   6.030  19.738  47.842
  490   2H4     C  45          2H4         C  45   5.723  19.362  46.181
  491    H5     C  45           H5         C  45   7.466  19.243  44.502
  492    H6     C  45           H6         C  45   9.881  19.473  44.123
  493   1H5*    U  46          1H5*        U  46  14.611  16.762  47.369
  494   2H5*    U  46          2H5*        U  46  14.817  15.012  47.425
  495    H4*    U  46           H4*        U  46  14.289  15.856  49.552
  496    H3*    U  46           H3*        U  46  12.112  14.080  48.350
  497    H2*    U  46           H2*        U  46  10.865  14.424  50.463
  498   2HO*    U  46          2HO*        U  46  11.728  15.235  52.227
  499    H1*    U  46           H1*        U  46  11.284  17.110  50.684
  500    H3     U  46           H3         U  46   6.984  17.053  49.512
  501    H5     U  46           H5         U  46   9.008  16.323  45.913
  502    H6     U  46           H6         U  46  11.056  16.191  47.169
  503   1H5*    G  47          1H5*        G  47  12.676  12.994  52.395
  504   2H5*    G  47          2H5*        G  47  12.746  11.232  52.395
  505    H4*    G  47           H4*        G  47  11.245  12.230  54.020
  506    H3*    G  47           H3*        G  47  10.166  10.180  52.054
  507    H2*    G  47           H2*        G  47   7.957  10.540  52.796
  508   2HO*    G  47          2HO*        G  47   7.434  11.083  54.808
  509    H1*    G  47           H1*        G  47   8.306  13.189  53.866
  510    H8     G  47           H8         G  47   8.829  13.425  50.174
  511    H1     G  47           H1         G  47   2.658  13.033  51.868
  512   1H2     G  47          1H2         G  47   2.470  12.424  54.033
  513   2H2     G  47          2H2         G  47   3.885  12.144  54.960
  514   1H5*    A  48          1H5*        A  48   9.034   9.078  55.795
  515   2H5*    A  48          2H5*        A  48   9.158   7.353  56.141
  516    H4*    A  48           H4*        A  48   6.985   8.390  56.580
  517    H3*    A  48           H3*        A  48   7.280   5.894  54.975
  518    H2*    A  48           H2*        A  48   5.307   6.142  53.802
  519   2HO*    A  48          2HO*        A  48   3.420   6.901  55.001
  520    H1*    A  48           H1*        A  48   4.554   8.777  54.976
  521    H8     A  48           H8         A  48   6.633   8.317  51.756
  522   1H6     A  48          1H6         A  48   1.432   9.881  48.831
  523   2H6     A  48          2H6         A  48   3.115   9.522  48.653
  524    H2     A  48           H2         A  48   0.523   9.506  53.210
  525   1H5*    A  49          1H5*        A  49   3.629   2.868  58.336
  526   2H5*    A  49          2H5*        A  49   3.863   3.022  56.595
  527    H4*    A  49           H4*        A  49   2.065   4.623  58.356
  528    H3*    A  49           H3*        A  49   1.236   2.226  57.476
  529    H2*    A  49           H2*        A  49   1.783   2.529  55.078
  530   2HO*    A  49          2HO*        A  49  -0.253   1.932  55.025
  531    H1*    A  49           H1*        A  49   0.461   5.255  55.198
  532    H8     A  49           H8         A  49   4.076   4.153  54.239
  533   1H6     A  49          1H6         A  49   2.693   6.532  48.717
  534   2H6     A  49          2H6         A  49   3.921   5.783  49.680
  535    H2     A  49           H2         A  49  -0.940   6.850  51.332
  536   1H5*    G  50          1H5*        G  50  -3.775   1.741  56.826
  537   2H5*    G  50          2H5*        G  50  -2.466   2.172  55.724
  538    H4*    G  50           H4*        G  50  -4.756   3.918  56.451
  539    H3*    G  50           H3*        G  50  -4.611   2.000  54.076
  540    H2*    G  50           H2*        G  50  -5.776   3.756  52.775
  541   2HO*    G  50          2HO*        G  50  -6.750   5.427  53.652
  542    H1*    G  50           H1*        G  50  -4.318   5.883  53.679
  543    H8     G  50           H8         G  50  -1.406   3.712  53.358
  544    H1     G  50           H1         G  50  -4.012   5.056  47.656
  545   1H2     G  50          1H2         G  50  -6.084   5.912  47.917
  546   2H2     G  50          2H2         G  50  -6.726   6.114  49.495
  547   1H5*    C  51          1H5*        C  51  -8.753   2.395  54.094
  548   2H5*    C  51          2H5*        C  51  -9.400   0.757  54.009
  549    H4*    C  51           H4*        C  51 -10.221   2.104  52.257
  550    H3*    C  51           H3*        C  51  -8.442  -0.208  51.342
  551    H2*    C  51           H2*        C  51  -8.898   0.534  49.033
  552   2HO*    C  51          2HO*        C  51 -10.475   1.833  48.496
  553    H1*    C  51           H1*        C  51  -8.652   3.231  49.473
  554   1H4     C  51          1H4         C  51  -2.925   1.646  47.322
  555   2H4     C  51          2H4         C  51  -2.410   1.220  48.919
  556    H5     C  51           H5         C  51  -3.895   1.208  50.836
  557    H6     C  51           H6         C  51  -6.202   1.617  51.564
  558   1H5*    G  52          1H5*        G  52 -11.871  -0.412  48.841
  559   2H5*    G  52          2H5*        G  52 -12.213  -2.138  48.716
  560    H4*    G  52           H4*        G  52 -12.032  -1.113  46.592
  561    H3*    G  52           H3*        G  52  -9.888  -3.210  47.192
  562    H2*    G  52           H2*        G  52  -9.037  -2.799  44.916
  563   2HO*    G  52          2HO*        G  52 -10.138  -1.804  43.398
  564    H1*    G  52           H1*        G  52  -9.288  -0.061  44.932
  565    H8     G  52           H8         G  52  -7.902  -1.250  48.312
  566    H1     G  52           H1         G  52  -3.544  -0.285  43.710
  567   1H2     G  52          1H2         G  52  -4.558   0.090  41.729
  568   2H2     G  52          2H2         G  52  -6.271   0.086  41.639
  569   1H5*    C  53          1H5*        C  53 -11.584  -4.078  43.318
  570   2H5*    C  53          2H5*        C  53 -11.612  -5.839  43.218
  571    H4*    C  53           H4*        C  53 -10.546  -4.805  41.349
  572    H3*    C  53           H3*        C  53  -8.791  -6.655  43.037
  573    H2*    C  53           H2*        C  53  -6.984  -6.195  41.423
  574   2HO*    C  53          2HO*        C  53  -7.295  -5.367  39.503
  575    H1*    C  53           H1*        C  53  -7.433  -3.498  41.151
  576   1H4     C  53          1H4         C  53  -2.857  -3.518  45.485
  577   2H4     C  53          2H4         C  53  -3.954  -4.025  46.725
  578    H5     C  53           H5         C  53  -6.280  -4.562  46.303
  579    H6     C  53           H6         C  53  -8.002  -4.708  44.560
  580   1H5*    G  54          1H5*        G  54  -8.334  -8.120  38.989
  581   2H5*    G  54          2H5*        G  54  -7.942  -9.829  39.180
  582    H4*    G  54           H4*        G  54  -6.308  -8.443  37.991
  583    H3*    G  54           H3*        G  54  -5.393 -10.132  40.371
  584    H2*    G  54           H2*        G  54  -3.123  -9.287  39.935
  585   2HO*    G  54          2HO*        G  54  -2.528  -8.366  38.118
  586    H1*    G  54           H1*        G  54  -3.813  -6.677  39.389
  587    H8     G  54           H8         G  54  -5.889  -7.668  42.409
  588    H1     G  54           H1         G  54   0.170  -6.042  43.733
  589   1H2     G  54          1H2         G  54   1.375  -5.871  41.833
  590   2H2     G  54          2H2         G  54   0.620  -6.165  40.321
  591   1H5*    C  55          1H5*        C  55  -2.675 -11.684  37.807
  592   2H5*    C  55          2H5*        C  55  -2.824 -13.436  37.939
  593    H4*    C  55           H4*        C  55  -0.635 -12.809  38.388
  594    H3*    C  55           H3*        C  55  -2.089 -13.798  40.891
  595    H2*    C  55           H2*        C  55   0.007 -13.451  42.107
  596   2HO*    C  55          2HO*        C  55   1.582 -14.162  41.017
  597    H1*    C  55           H1*        C  55   0.777 -11.104  40.847
  598   1H4     C  55          1H4         C  55  -1.602  -8.797  46.200
  599   2H4     C  55          2H4         C  55  -3.210  -9.275  45.775
  600    H5     C  55           H5         C  55  -3.738 -10.501  43.751
  601    H6     C  55           H6         C  55  -2.780 -11.509  41.730
  602   1H5*    A  56          1H5*        A  56   0.407 -18.138  42.228
  603   2H5*    A  56          2H5*        A  56  -0.460 -17.010  43.270
  604    H4*    A  56           H4*        A  56   2.449 -17.319  42.777
  605    H3*    A  56           H3*        A  56   0.776 -17.554  45.288
  606    H2*    A  56           H2*        A  56   2.612 -16.493  46.532
  607   2HO*    A  56          2HO*        A  56   4.586 -16.225  45.748
  608    H1*    A  56           H1*        A  56   3.175 -14.455  44.845
  609    H8     A  56           H8         A  56  -0.437 -14.349  44.232
  610   1H6     A  56          1H6         A  56  -1.114 -11.710  49.768
  611   2H6     A  56          2H6         A  56  -1.879 -12.075  48.260
  612    H2     A  56           H2         A  56   3.046 -13.374  49.504
  613   1H5*    C  57          1H5*        C  57   4.276 -18.443  46.949
  614   2H5*    C  57          2H5*        C  57   4.085 -20.134  47.413
  615    H4*    C  57           H4*        C  57   4.965 -18.866  49.202
  616    H3*    C  57           H3*        C  57   2.202 -20.031  49.684
  617    H2*    C  57           H2*        C  57   2.241 -18.943  51.904
  618   2HO*    C  57          2HO*        C  57   3.983 -18.168  52.810
  619    H1*    C  57           H1*        C  57   3.137 -16.508  51.129
  620   1H4     C  57          1H4         C  57  -3.186 -16.089  50.718
  621   2H4     C  57          2H4         C  57  -3.047 -16.169  48.993
  622    H5     C  57           H5         C  57  -0.960 -16.629  47.849
  623    H6     C  57           H6         C  57   1.425 -17.105  48.179
  624   1H5*    G  58          1H5*        G  58   4.322 -20.747  53.090
  625   2H5*    G  58          2H5*        G  58   4.151 -22.449  53.520
  626    H4*    G  58           H4*        G  58   3.741 -20.899  55.328
  627    H3*    G  58           H3*        G  58   1.494 -22.833  54.584
  628    H2*    G  58           H2*        G  58   0.215 -21.833  56.455
  629   2HO*    G  58          2HO*        G  58   1.075 -20.658  57.975
  630    H1*    G  58           H1*        G  58   0.812 -19.220  55.926
  631    H8     G  58           H8         G  58   0.324 -19.994  52.417
  632    H1     G  58           H1         G  58  -5.129 -20.623  55.729
  633   1H2     G  58          1H2         G  58  -4.704 -20.701  57.943
  634   2H2     G  58          2H2         G  58  -3.085 -20.592  58.500
  635   1H5*    G  59          1H5*        G  59   1.939 -24.321  58.357
  636   2H5*    G  59          2H5*        G  59   1.796 -26.076  58.267
  637    H4*    G  59           H4*        G  59   0.072 -24.990  59.557
  638    H3*    G  59           H3*        G  59  -0.816 -26.678  57.168
  639    H2*    G  59           H2*        G  59  -3.134 -26.135  57.818
  640   2HO*    G  59          2HO*        G  59  -3.691 -25.423  59.709
  641    H1*    G  59           H1*        G  59  -2.727 -23.481  58.389
  642    H8     G  59           H8         G  59  -0.709 -23.747  55.273
  643    H1     G  59           H1         G  59  -7.030 -23.911  54.218
  644   1H2     G  59          1H2         G  59  -8.145 -24.235  56.153
  645   2H2     G  59          2H2         G  59  -7.270 -24.395  57.619
  646   1H5*    C  60          1H5*        C  60  -3.230 -28.315  60.327
  647   2H5*    C  60          2H5*        C  60  -3.089 -30.051  60.051
  648    H4*    C  60           H4*        C  60  -5.350 -29.330  60.202
  649    H3*    C  60           H3*        C  60  -4.527 -30.530  57.513
  650    H2*    C  60           H2*        C  60  -6.882 -30.201  56.814
  651   2HO*    C  60          2HO*        C  60  -8.466 -29.845  58.148
  652    H1*    C  60           H1*        C  60  -7.194 -27.682  57.824
  653   1H4     C  60          1H4         C  60  -5.490 -26.516  51.857
  654   2H4     C  60          2H4         C  60  -3.814 -26.623  52.278
  655    H5     C  60           H5         C  60  -3.038 -27.266  54.482
  656    H6     C  60           H6         C  60  -3.763 -27.937  56.728
  657   1H5*    A  61          1H5*        A  61  -8.235 -32.555  58.646
  658   2H5*    A  61          2H5*        A  61  -7.931 -34.207  58.106
  659    H4*    A  61           H4*        A  61  -9.988 -33.269  57.289
  660    H3*    A  61           H3*        A  61  -7.945 -34.159  55.197
  661    H2*    A  61           H2*        A  61  -9.619 -33.493  53.495
  662   2HO*    A  61          2HO*        A  61 -11.651 -33.184  53.904
  663    H1*    A  61           H1*        A  61 -10.346 -31.121  54.635
  664    H8     A  61           H8         A  61  -6.583 -31.465  55.130
  665   1H6     A  61          1H6         A  61  -6.047 -28.867  49.559
  666   2H6     A  61          2H6         A  61  -5.202 -29.391  50.976
  667    H2     A  61           H2         A  61 -10.381 -29.795  50.265
  668   1H5*    A  62          1H5*        A  62 -11.676 -36.277  54.052
  669   2H5*    A  62          2H5*        A  62 -11.052 -37.634  53.113
  670    H4*    A  62           H4*        A  62 -12.609 -35.994  52.030
  671    H3*    A  62           H3*        A  62 -10.047 -36.948  50.662
  672    H2*    A  62           H2*        A  62 -10.703 -35.503  48.758
  673   2HO*    A  62          2HO*        A  62 -12.633 -34.741  48.473
  674    H1*    A  62           H1*        A  62 -11.445 -33.319  50.221
  675    H8     A  62           H8         A  62  -8.415 -34.496  52.098
  676   1H6     A  62          1H6         A  62  -5.038 -31.587  47.832
  677   2H6     A  62          2H6         A  62  -5.017 -32.382  49.369
  678    H2     A  62           H2         A  62  -9.291 -31.718  46.407
  679   1H5*    G  63          1H5*        G  63 -12.790 -37.898  47.473
  680   2H5*    G  63          2H5*        G  63 -12.002 -39.301  46.750
  681    H4*    G  63           H4*        G  63 -12.321 -37.271  45.357
  682    H3*    G  63           H3*        G  63  -9.603 -38.664  45.507
  683    H2*    G  63           H2*        G  63  -8.788 -36.962  43.924
  684   2HO*    G  63          2HO*        G  63 -10.060 -35.715  42.762
  685    H1*    G  63           H1*        G  63 -10.061 -34.795  45.046
  686    H8     G  63           H8         G  63  -8.860 -36.324  48.181
  687    H1     G  63           H1         G  63  -4.100 -33.864  44.659
  688   1H2     G  63          1H2         G  63  -4.814 -33.424  42.563
  689   2H2     G  63          2H2         G  63  -6.440 -33.759  42.134
  690   1H5*    A  64          1H5*        A  64 -11.050 -40.014  41.680
  691   2H5*    A  64          2H5*        A  64 -10.336 -41.554  41.203
  692    H4*    A  64           H4*        A  64  -9.524 -39.350  40.175
  693    H3*    A  64           H3*        A  64  -8.085 -41.818  40.597
  694    H2*    A  64           H2*        A  64  -6.261 -40.896  41.758
  695   2HO*    A  64          2HO*        A  64  -5.942 -39.473  39.360
  696    H1*    A  64           H1*        A  64  -6.880 -38.087  40.744
  697    H8     A  64           H8         A  64  -7.302 -39.008  44.409
  698   1H6     A  64          1H6         A  64  -2.006 -35.963  45.270
  699   2H6     A  64          2H6         A  64  -3.346 -36.739  46.042
  700    H2     A  64           H2         A  64  -2.702 -36.348  40.854
  701   1H5*    G  65          1H5*        G  65  -5.523 -43.871  38.836
  702   2H5*    G  65          2H5*        G  65  -5.999 -42.697  40.062
  703    H4*    G  65           H4*        G  65  -3.454 -43.323  39.031
  704    H3*    G  65           H3*        G  65  -4.455 -42.000  41.425
  705    H2*    G  65           H2*        G  65  -3.523 -39.904  40.976
  706   2HO*    G  65          2HO*        G  65  -1.443 -39.735  41.365
  707    H1*    G  65           H1*        G  65  -1.660 -41.004  38.832
  708    H8     G  65           H8         G  65  -4.554 -38.860  37.714
  709    H1     G  65           H1         G  65   0.981 -35.743  38.581
  710   1H2     G  65          1H2         G  65   2.476 -37.065  39.635
  711   2H2     G  65          2H2         G  65   2.032 -38.663  40.074
  712   1H5*    G  66          1H5*        G  66  -0.815 -45.200  41.929
  713   2H5*    G  66          2H5*        G  66  -0.013 -44.880  43.467
  714    H4*    G  66           H4*        G  66  -0.593 -43.062  41.195
  715    H3*    G  66           H3*        G  66   1.893 -44.203  42.173
  716    H2*    G  66           H2*        G  66   2.573 -42.344  43.423
  717   2HO*    G  66          2HO*        G  66   2.404 -41.084  40.920
  718    H1*    G  66           H1*        G  66   0.598 -40.491  42.026
  719    H8     G  66           H8         G  66  -0.111 -41.348  45.620
  720    H1     G  66           H1         G  66   3.239 -35.955  44.731
  721   1H2     G  66          1H2         G  66   3.946 -35.807  42.593
  722   2H2     G  66          2H2         G  66   3.553 -37.054  41.482
  723   1H5*    C  67          1H5*        C  67   5.001 -44.683  38.678
  724   2H5*    C  67          2H5*        C  67   6.043 -44.240  40.031
  725    H4*    C  67           H4*        C  67   5.186 -42.745  37.741
  726    H3*    C  67           H3*        C  67   7.519 -42.516  39.653
  727    H2*    C  67           H2*        C  67   7.643 -40.121  39.115
  728   2HO*    C  67          2HO*        C  67   7.342 -40.200  36.979
  729    H1*    C  67           H1*        C  67   5.020 -39.485  39.280
  730   1H4     C  67          1H4         C  67   7.022 -38.563  45.200
  731   2H4     C  67          2H4         C  67   6.511 -40.160  45.631
  732    H5     C  67           H5         C  67   5.683 -41.770  44.019
  733    H6     C  67           H6         C  67   5.189 -42.129  41.642
  734   1H5*    G  68          1H5*        G  68  10.124 -41.173  36.950
  735   2H5*    G  68          2H5*        G  68  11.352 -42.438  36.932
  736    H4*    G  68           H4*        G  68  12.345 -40.430  37.585
  737    H3*    G  68           H3*        G  68  12.181 -42.473  39.825
  738    H2*    G  68           H2*        G  68  13.225 -40.791  41.305
  739   2HO*    G  68          2HO*        G  68  14.191 -39.044  40.614
  740    H1*    G  68           H1*        G  68  11.715 -38.655  40.604
  741    H8     G  68           H8         G  68   9.114 -41.344  40.380
  742    H1     G  68           H1         G  68  10.594 -39.645  46.382
  743   1H2     G  68          1H2         G  68  12.462 -38.379  46.406
  744   2H2     G  68          2H2         G  68  13.257 -38.011  44.931
  745   1H5*    U  69          1H5*        U  69  16.052 -40.918  40.195
  746   2H5*    U  69          2H5*        U  69  17.085 -42.331  40.410
  747    H4*    U  69           H4*        U  69  17.404 -40.689  42.104
  748    H3*    U  69           H3*        U  69  16.367 -43.400  43.067
  749    H2*    U  69           H2*        U  69  16.480 -42.468  45.356
  750   2HO*    U  69          2HO*        U  69  17.537 -40.706  45.864
  751    H1*    U  69           H1*        U  69  15.403 -40.017  44.788
  752    H3     U  69           H3         U  69  12.071 -41.897  47.085
  753    H5     U  69           H5         U  69  11.789 -43.654  43.288
  754    H6     U  69           H6         U  69  13.846 -42.555  42.700
  755   1H5*    C  70          1H5*        C  70  19.546 -42.885  45.845
  756   2H5*    C  70          2H5*        C  70  20.360 -44.443  45.707
  757    H4*    C  70           H4*        C  70  19.857 -43.959  47.941
  758    H3*    C  70           H3*        C  70  18.283 -46.323  46.811
  759    H2*    C  70           H2*        C  70  17.205 -46.557  48.958
  760   2HO*    C  70          2HO*        C  70  18.007 -45.809  50.798
  761    H1*    C  70           H1*        C  70  17.136 -43.835  49.663
  762   1H4     C  70          1H4         C  70  11.097 -45.163  48.377
  763   2H4     C  70          2H4         C  70  11.387 -45.008  46.677
  764    H5     C  70           H5         C  70  13.590 -44.642  45.734
  765    H6     C  70           H6         C  70  15.963 -44.354  46.283
  766    H3T    C  70           H3T        C  70  19.823 -46.955  48.724
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   1.880 -47.265  57.408
    2   2H5*    G   1          2H5*        G   1   1.947 -48.162  55.872
    3    H4*    G   1           H4*        G   1   4.192 -47.653  57.777
    4    H3*    G   1           H3*        G   1   3.511 -46.184  55.203
    5    H2*    G   1           H2*        G   1   5.936 -46.120  54.722
    6   2HO*    G   1          2HO*        G   1   7.441 -46.578  56.153
    7    H1*    G   1           H1*        G   1   6.512 -48.702  55.315
    8    H8     G   1           H8         G   1   3.041 -48.874  53.773
    9    H1     G   1           H1         G   1   7.864 -48.516  49.564
   10   1H2     G   1          1H2         G   1   9.798 -48.033  50.620
   11   2H2     G   1          2H2         G   1   9.806 -47.824  52.322
   12    H5T    G   1           H5T        G   1   1.255 -49.471  57.636
   13   1H5*    A   2          1H5*        A   2   6.876 -44.181  56.723
   14   2H5*    A   2          2H5*        A   2   6.415 -42.479  56.659
   15    H4*    A   2           H4*        A   2   8.521 -42.860  55.658
   16    H3*    A   2           H3*        A   2   6.352 -41.891  53.732
   17    H2*    A   2           H2*        A   2   8.078 -41.912  51.979
   18   2HO*    A   2          2HO*        A   2  10.156 -41.960  52.359
   19    H1*    A   2           H1*        A   2   9.296 -44.273  52.706
   20    H8     A   2           H8         A   2   5.620 -45.034  52.991
   21   1H6     A   2          1H6         A   2   5.693 -46.017  46.901
   22   2H6     A   2          2H6         A   2   4.773 -46.167  48.358
   23    H2     A   2           H2         A   2   9.603 -44.148  48.069
   24   1H5*    C   3          1H5*        C   3   9.463 -39.403  52.759
   25   2H5*    C   3          2H5*        C   3   8.760 -37.793  52.611
   26    H4*    C   3           H4*        C   3   9.968 -38.509  50.674
   27    H3*    C   3           H3*        C   3   7.002 -37.884  50.285
   28    H2*    C   3           H2*        C   3   7.248 -38.449  47.951
   29   2HO*    C   3          2HO*        C   3   9.063 -38.353  46.883
   30    H1*    C   3           H1*        C   3   9.180 -40.472  48.240
   31   1H4     C   3          1H4         C   3   3.824 -43.498  46.718
   32   2H4     C   3          2H4         C   3   3.446 -43.680  48.397
   33    H5     C   3           H5         C   3   4.745 -42.652  50.167
   34    H6     C   3           H6         C   3   6.689 -41.231  50.639
   35   1H5*    G   4          1H5*        G   4   9.271 -35.772  47.166
   36   2H5*    G   4          2H5*        G   4   8.540 -34.168  47.203
   37    H4*    G   4           H4*        G   4   8.782 -35.089  44.996
   38    H3*    G   4           H3*        G   4   5.947 -34.392  45.902
   39    H2*    G   4           H2*        G   4   5.207 -35.106  43.653
   40   2HO*    G   4          2HO*        G   4   6.486 -35.329  42.005
   41    H1*    G   4           H1*        G   4   6.737 -37.368  43.484
   42    H8     G   4           H8         G   4   5.571 -37.404  47.075
   43    H1     G   4           H1         G   4   1.163 -39.343  42.843
   44   1H2     G   4          1H2         G   4   1.829 -38.873  40.737
   45   2H2     G   4          2H2         G   4   3.340 -38.102  40.478
   46   1H5*    G   5          1H5*        G   5   3.885 -31.003  43.041
   47   2H5*    G   5          2H5*        G   5   3.227 -32.234  44.120
   48    H4*    G   5           H4*        G   5   3.775 -32.473  41.199
   49    H3*    G   5           H3*        G   5   1.134 -31.998  42.619
   50    H2*    G   5           H2*        G   5   0.099 -33.572  41.024
   51   2HO*    G   5          2HO*        G   5   1.003 -34.204  39.229
   52    H1*    G   5           H1*        G   5   1.959 -35.538  41.136
   53    H8     G   5           H8         G   5   2.216 -34.705  44.705
   54    H1     G   5           H1         G   5  -3.399 -37.417  43.218
   55   1H2     G   5          1H2         G   5  -3.711 -37.413  40.983
   56   2H2     G   5          2H2         G   5  -2.510 -36.739  39.960
   57   1H5*    C   6          1H5*        C   6  -0.278 -31.654  38.961
   58   2H5*    C   6          2H5*        C   6  -1.095 -30.096  38.861
   59    H4*    C   6           H4*        C   6  -2.540 -31.819  38.204
   60    H3*    C   6           H3*        C   6  -3.363 -30.468  40.817
   61    H2*    C   6           H2*        C   6  -5.329 -31.975  40.811
   62   2HO*    C   6          2HO*        C   6  -5.832 -33.242  39.101
   63    H1*    C   6           H1*        C   6  -4.008 -34.267  40.132
   64   1H4     C   6          1H4         C   6  -4.008 -34.570  46.439
   65   2H4     C   6          2H4         C   6  -2.571 -33.607  46.520
   66    H5     C   6           H5         C   6  -1.541 -32.592  44.574
   67    H6     C   6           H6         C   6  -1.724 -32.322  42.142
   68   1H5*    U   7          1H5*        U   7  -7.073 -30.037  38.726
   69   2H5*    U   7          2H5*        U   7  -7.375 -28.312  38.927
   70    H4*    U   7           H4*        U   7  -9.248 -29.533  39.592
   71    H3*    U   7           H3*        U   7  -7.832 -28.160  41.929
   72    H2*    U   7           H2*        U   7  -9.615 -29.066  43.369
   73   2HO*    U   7          2HO*        U   7 -11.459 -29.803  42.652
   74    H1*    U   7           H1*        U   7  -9.741 -31.571  42.240
   75    H3     U   7           H3         U   7  -8.011 -32.392  46.290
   76    H5     U   7           H5         U   7  -4.748 -31.046  44.026
   77    H6     U   7           H6         U   7  -6.285 -30.510  42.255
   78   1H5*    U   8          1H5*        U   8 -11.871 -27.188  42.405
   79   2H5*    U   8          2H5*        U   8 -11.917 -25.535  43.017
   80    H4*    U   8           H4*        U   8 -13.049 -27.213  44.367
   81    H3*    U   8           H3*        U   8 -10.898 -25.480  45.674
   82    H2*    U   8           H2*        U   8 -11.286 -26.666  47.743
   83   2HO*    U   8          2HO*        U   8 -13.080 -27.744  48.195
   84    H1*    U   8           H1*        U   8 -11.883 -29.183  46.644
   85    H3     U   8           H3         U   8  -8.362 -29.811  49.405
   86    H5     U   8           H5         U   8  -6.704 -28.470  45.795
   87    H6     U   8           H6         U   8  -8.934 -27.998  45.024
   88   1H5*    G   9          1H5*        G   9 -14.730 -25.449  47.997
   89   2H5*    G   9          2H5*        G   9 -14.837 -23.786  48.573
   90    H4*    G   9           H4*        G   9 -15.276 -25.431  50.275
   91    H3*    G   9           H3*        G   9 -12.966 -23.506  50.747
   92    H2*    G   9           H2*        G   9 -12.590 -24.666  52.901
   93   2HO*    G   9          2HO*        G   9 -13.978 -26.012  53.779
   94    H1*    G   9           H1*        G   9 -12.778 -27.216  51.987
   95    H8     G   9           H8         G   9 -11.062 -25.223  49.212
   96    H1     G   9           H1         G   9  -7.204 -27.313  53.886
   97   1H2     G   9          1H2         G   9  -8.416 -28.149  55.596
   98   2H2     G   9          2H2         G   9 -10.129 -28.151  55.499
   99   1H5*    C  10          1H5*        C  10 -14.823 -23.506  54.454
  100   2H5*    C  10          2H5*        C  10 -15.030 -21.796  54.836
  101    H4*    C  10           H4*        C  10 -13.973 -22.873  56.614
  102    H3*    C  10           H3*        C  10 -12.126 -20.941  55.136
  103    H2*    C  10           H2*        C  10 -10.394 -21.546  56.800
  104   2HO*    C  10          2HO*        C  10 -10.798 -22.549  58.613
  105    H1*    C  10           H1*        C  10 -10.813 -24.242  56.774
  106   1H4     C  10          1H4         C  10  -6.243 -23.646  52.467
  107   2H4     C  10          2H4         C  10  -7.391 -23.223  51.243
  108    H5     C  10           H5         C  10  -9.754 -22.912  51.689
  109    H6     C  10           H6         C  10 -11.467 -22.953  53.446
  110   1H5*    U  11          1H5*        U  11 -11.520 -19.917  59.055
  111   2H5*    U  11          2H5*        U  11 -11.419 -18.157  59.126
  112    H4*    U  11           H4*        U  11  -9.496 -19.178  60.044
  113    H3*    U  11           H3*        U  11  -8.988 -17.536  57.520
  114    H2*    U  11           H2*        U  11  -6.593 -18.100  57.805
  115   2HO*    U  11          2HO*        U  11  -5.769 -18.893  59.580
  116    H1*    U  11           H1*        U  11  -6.923 -20.748  58.370
  117    H3     U  11           H3         U  11  -5.295 -21.000  54.228
  118    H5     U  11           H5         U  11  -9.302 -19.899  53.659
  119    H6     U  11           H6         U  11  -9.504 -19.660  56.045
  120   1H5*    G  12          1H5*        G  12  -6.130 -16.541  60.332
  121   2H5*    G  12          2H5*        G  12  -5.924 -14.788  60.332
  122    H4*    G  12           H4*        G  12  -3.881 -16.070  60.150
  123    H3*    G  12           H3*        G  12  -4.535 -14.020  58.011
  124    H2*    G  12           H2*        G  12  -2.722 -14.711  56.684
  125   2HO*    G  12          2HO*        G  12  -0.856 -15.376  57.460
  126    H1*    G  12           H1*        G  12  -2.384 -17.357  57.791
  127    H8     G  12           H8         G  12  -5.631 -17.433  56.002
  128    H1     G  12           H1         G  12  -0.584 -17.621  52.051
  129   1H2     G  12          1H2         G  12   1.305 -17.071  53.157
  130   2H2     G  12          2H2         G  12   1.228 -16.685  54.826
  131   1H5*    A  13          1H5*        A  13  -1.336 -12.747  60.429
  132   2H5*    A  13          2H5*        A  13  -0.913 -11.052  60.668
  133    H4*    A  13           H4*        A  13   0.599 -12.265  59.233
  134    H3*    A  13           H3*        A  13  -0.740  -9.771  58.246
  135    H2*    A  13           H2*        A  13  -0.362 -10.215  56.009
  136   2HO*    A  13          2HO*        A  13   2.087 -11.281  56.860
  137    H1*    A  13           H1*        A  13   0.676 -12.963  56.354
  138    H8     A  13           H8         A  13  -3.088 -12.142  56.150
  139   1H6     A  13          1H6         A  13  -2.660 -14.116  50.320
  140   2H6     A  13          2H6         A  13  -3.731 -13.578  51.569
  141    H2     A  13           H2         A  13   1.468 -14.017  52.076
  142   1H5*    A  14          1H5*        A  14   1.994  -6.311  58.169
  143   2H5*    A  14          2H5*        A  14   0.575  -5.959  57.183
  144    H4*    A  14           H4*        A  14   2.762  -7.920  56.776
  145    H3*    A  14           H3*        A  14   2.223  -5.503  55.445
  146    H2*    A  14           H2*        A  14   0.501  -6.293  53.983
  147   2HO*    A  14          2HO*        A  14   2.688  -7.610  52.831
  148    H1*    A  14           H1*        A  14   1.728  -9.085  54.013
  149    H8     A  14           H8         A  14  -1.778  -8.181  55.311
  150   1H6     A  14          1H6         A  14  -3.805 -11.212  50.334
  151   2H6     A  14          2H6         A  14  -4.258 -10.421  51.805
  152    H2     A  14           H2         A  14   0.666 -10.912  50.073
  153   1H5*    G  15          1H5*        G  15   5.423  -5.032  51.458
  154   2H5*    G  15          2H5*        G  15   3.815  -5.749  51.370
  155    H4*    G  15           H4*        G  15   6.388  -7.152  50.773
  156    H3*    G  15           H3*        G  15   4.663  -5.620  48.832
  157    H2*    G  15           H2*        G  15   4.791  -7.509  47.288
  158   2HO*    G  15          2HO*        G  15   6.857  -8.047  47.445
  159    H1*    G  15           H1*        G  15   4.323  -9.569  48.977
  160    H8     G  15           H8         G  15   1.932  -7.620  50.791
  161    H1     G  15           H1         G  15   0.047  -8.490  44.725
  162   1H2     G  15          1H2         G  15   1.780  -9.173  43.449
  163   2H2     G  15          2H2         G  15   3.325  -9.384  44.163
  164   1H5*    C  16          1H5*        C  16   7.924  -5.619  46.299
  165   2H5*    C  16          2H5*        C  16   8.162  -3.951  45.774
  166    H4*    C  16           H4*        C  16   7.689  -5.438  43.972
  167    H3*    C  16           H3*        C  16   5.653  -3.202  44.423
  168    H2*    C  16           H2*        C  16   4.462  -4.076  42.444
  169   2HO*    C  16          2HO*        C  16   5.315  -5.402  41.039
  170    H1*    C  16           H1*        C  16   4.691  -6.743  43.045
  171   1H4     C  16          1H4         C  16  -1.019  -5.188  45.292
  172   2H4     C  16          2H4         C  16  -0.330  -4.857  46.846
  173    H5     C  16           H5         C  16   2.055  -4.884  47.273
  174    H6     C  16           H6         C  16   4.254  -5.244  46.245
  175   1H5*    G  17          1H5*        G  17   6.406  -3.114  40.205
  176   2H5*    G  17          2H5*        G  17   6.659  -1.394  39.910
  177    H4*    G  17           H4*        G  17   5.088  -2.256  38.399
  178    H3*    G  17           H3*        G  17   3.908  -0.273  40.394
  179    H2*    G  17           H2*        G  17   1.745  -0.595  39.233
  180   2HO*    G  17          2HO*        G  17   1.545  -1.515  37.340
  181    H1*    G  17           H1*        G  17   1.847  -3.310  39.039
  182    H8     G  17           H8         G  17   3.338  -2.256  42.423
  183    H1     G  17           H1         G  17  -3.023  -3.044  42.299
  184   1H2     G  17          1H2         G  17  -3.740  -3.350  40.182
  185   2H2     G  17          2H2         G  17  -2.606  -3.346  38.894
  186   1H5*    C  18          1H5*        C  18   2.512   0.823  36.484
  187   2H5*    C  18          2H5*        C  18   2.464   2.585  36.493
  188    H4*    C  18           H4*        C  18   0.400   1.560  35.831
  189    H3*    C  18           H3*        C  18   0.309   3.341  38.314
  190    H2*    C  18           H2*        C  18  -2.113   2.884  38.389
  191   2HO*    C  18          2HO*        C  18  -3.223   2.113  36.773
  192    H1*    C  18           H1*        C  18  -1.984   0.201  37.822
  193   1H4     C  18          1H4         C  18  -2.255   0.114  44.120
  194   2H4     C  18          2H4         C  18  -0.584   0.547  44.251
  195    H5     C  18           H5         C  18   0.806   1.071  42.336
  196    H6     C  18           H6         C  18   0.826   1.274  39.890
  197   1H5*    G  19          1H5*        G  19  -2.934   4.723  35.930
  198   2H5*    G  19          2H5*        G  19  -2.966   6.466  36.200
  199    H4*    G  19           H4*        G  19  -5.042   5.386  36.693
  200    H3*    G  19           H3*        G  19  -3.680   6.827  39.020
  201    H2*    G  19           H2*        G  19  -5.643   6.178  40.381
  202   2HO*    G  19          2HO*        G  19  -7.468   5.495  39.572
  203    H1*    G  19           H1*        G  19  -5.841   3.597  39.497
  204    H8     G  19           H8         G  19  -2.116   4.398  39.881
  205    H1     G  19           H1         G  19  -5.098   2.533  45.242
  206   1H2     G  19          1H2         G  19  -7.328   2.443  44.914
  207   2H2     G  19          2H2         G  19  -7.977   2.847  43.378
  208   1H5*    C  20          1H5*        C  20  -7.659   8.131  39.185
  209   2H5*    C  20          2H5*        C  20  -7.571   9.849  39.574
  210    H4*    C  20           H4*        C  20  -8.947   8.618  41.080
  211    H3*    C  20           H3*        C  20  -6.494   9.964  42.316
  212    H2*    C  20           H2*        C  20  -7.273   9.103  44.485
  213   2HO*    C  20          2HO*        C  20  -9.241   8.379  44.840
  214    H1*    C  20           H1*        C  20  -8.052   6.607  43.619
  215   1H4     C  20          1H4         C  20  -2.312   5.403  45.937
  216   2H4     C  20          2H4         C  20  -1.548   6.065  44.532
  217    H5     C  20           H5         C  20  -2.774   7.122  42.728
  218    H6     C  20           H6         C  20  -5.016   7.741  41.943
  219   1H5*    A  21          1H5*        A  21  -6.684  13.658  44.774
  220   2H5*    A  21          2H5*        A  21  -5.780  12.179  45.099
  221    H4*    A  21           H4*        A  21  -8.115  13.274  46.632
  222    H3*    A  21           H3*        A  21  -5.195  13.530  47.210
  223    H2*    A  21           H2*        A  21  -5.527  12.672  49.432
  224   2HO*    A  21          2HO*        A  21  -7.382  12.628  50.450
  225    H1*    A  21           H1*        A  21  -7.168  10.553  49.073
  226    H8     A  21           H8         A  21  -5.381  10.082  45.919
  227   1H6     A  21          1H6         A  21  -0.722   7.707  49.191
  228   2H6     A  21          2H6         A  21  -1.395   7.913  47.610
  229    H2     A  21           H2         A  21  -3.537   9.747  52.031
  230   1H5*    C  22          1H5*        C  22  -6.850  15.100  50.566
  231   2H5*    C  22          2H5*        C  22  -6.212  16.737  50.719
  232    H4*    C  22           H4*        C  22  -6.056  15.402  52.737
  233    H3*    C  22           H3*        C  22  -3.510  16.595  51.585
  234    H2*    C  22           H2*        C  22  -2.284  15.503  53.435
  235   2HO*    C  22          2HO*        C  22  -3.204  14.711  55.157
  236    H1*    C  22           H1*        C  22  -3.445  13.059  53.276
  237   1H4     C  22          1H4         C  22   1.564  12.760  49.374
  238   2H4     C  22          2H4         C  22   0.467  12.761  48.035
  239    H5     C  22           H5         C  22  -1.918  13.134  48.272
  240    H6     C  22           H6         C  22  -3.707  13.584  49.890
  241   1H5*    G  23          1H5*        G  23  -3.325  17.462  55.595
  242   2H5*    G  23          2H5*        G  23  -2.967  19.181  55.769
  243    H4*    G  23           H4*        G  23  -1.569  17.652  57.057
  244    H3*    G  23           H3*        G  23  -0.220  19.650  55.176
  245    H2*    G  23           H2*        G  23   1.930  18.744  55.972
  246   2HO*    G  23          2HO*        G  23   2.162  17.623  57.730
  247    H1*    G  23           H1*        G  23   1.224  16.089  55.950
  248    H8     G  23           H8         G  23  -0.320  16.972  52.726
  249    H1     G  23           H1         G  23   6.086  17.129  52.500
  250   1H2     G  23          1H2         G  23   6.950  17.103  54.585
  251   2H2     G  23          2H2         G  23   5.899  17.045  55.938
  252   1H5*    G  24          1H5*        G  24   1.766  20.848  58.688
  253   2H5*    G  24          2H5*        G  24   1.963  22.590  58.498
  254    H4*    G  24           H4*        G  24   4.017  21.278  58.684
  255    H3*    G  24           H3*        G  24   3.656  23.140  56.287
  256    H2*    G  24           H2*        G  24   5.919  22.436  55.580
  257   2HO*    G  24          2HO*        G  24   7.308  21.500  56.840
  258    H1*    G  24           H1*        G  24   5.625  19.762  56.086
  259    H8     G  24           H8         G  24   2.277  20.525  54.605
  260    H1     G  24           H1         G  24   7.014  20.330  50.288
  261   1H2     G  24          1H2         G  24   9.022  20.334  51.318
  262   2H2     G  24          2H2         G  24   9.096  20.384  53.031
  263   1H5*    C  25          1H5*        C  25   7.507  24.436  57.718
  264   2H5*    C  25          2H5*        C  25   7.353  26.190  57.625
  265    H4*    C  25           H4*        C  25   9.275  25.364  56.483
  266    H3*    C  25           H3*        C  25   7.211  26.801  54.746
  267    H2*    C  25           H2*        C  25   8.768  26.436  52.854
  268   2HO*    C  25          2HO*        C  25  10.789  25.902  53.076
  269    H1*    C  25           H1*        C  25   9.385  23.833  53.413
  270   1H4     C  25          1H4         C  25   4.606  23.245  49.324
  271   2H4     C  25          2H4         C  25   3.453  23.331  50.613
  272    H5     C  25           H5         C  25   4.067  23.784  52.914
  273    H6     C  25           H6         C  25   5.953  24.246  54.414
  274   1H5*    A  26          1H5*        A  26  11.077  28.567  53.737
  275   2H5*    A  26          2H5*        A  26  10.665  30.268  53.521
  276    H4*    A  26           H4*        A  26  11.858  29.301  51.670
  277    H3*    A  26           H3*        A  26   9.090  30.457  51.084
  278    H2*    A  26           H2*        A  26   9.503  29.853  48.717
  279   2HO*    A  26          2HO*        A  26  11.389  29.422  47.926
  280    H1*    A  26           H1*        A  26  10.528  27.361  49.170
  281    H8     A  26           H8         A  26   7.701  27.795  51.675
  282   1H6     A  26          1H6         A  26   3.970  25.789  47.190
  283   2H6     A  26          2H6         A  26   4.094  26.196  48.868
  284    H2     A  26           H2         A  26   8.036  26.500  45.425
  285   1H5*    A  27          1H5*        A  27  11.773  32.568  48.152
  286   2H5*    A  27          2H5*        A  27  10.778  33.968  47.757
  287    H4*    A  27           H4*        A  27  11.462  32.291  45.974
  288    H3*    A  27           H3*        A  27   8.673  33.531  46.152
  289    H2*    A  27           H2*        A  27   8.100  32.182  44.162
  290   2HO*    A  27          2HO*        A  27   9.510  31.315  42.882
  291    H1*    A  27           H1*        A  27   9.306  29.855  44.957
  292    H8     A  27           H8         A  27   7.788  30.956  48.180
  293   1H6     A  27          1H6         A  27   2.417  28.757  46.089
  294   2H6     A  27          2H6         A  27   3.271  29.357  47.469
  295    H2     A  27           H2         A  27   5.318  28.864  42.668
  296   1H5*    G  28          1H5*        G  28   9.499  34.443  42.009
  297   2H5*    G  28          2H5*        G  28   8.767  36.042  41.863
  298    H4*    G  28           H4*        G  28   7.923  34.353  40.331
  299    H3*    G  28           H3*        G  28   5.928  35.791  42.147
  300    H2*    G  28           H2*        G  28   4.167  34.465  41.021
  301   2HO*    G  28          2HO*        G  28   4.462  33.404  39.210
  302    H1*    G  28           H1*        G  28   5.482  32.065  41.029
  303    H8     G  28           H8         G  28   6.401  33.311  44.430
  304    H1     G  28           H1         G  28   0.329  31.301  43.988
  305   1H2     G  28          1H2         G  28  -0.256  31.023  41.826
  306   2H2     G  28          2H2         G  28   0.889  31.347  40.590
  307   1H5*    A  29          1H5*        A  29   4.203  39.961  39.303
  308   2H5*    A  29          2H5*        A  29   3.964  38.769  40.581
  309    H4*    A  29           H4*        A  29   4.050  38.029  37.712
  310    H3*    A  29           H3*        A  29   2.056  39.741  38.206
  311    H2*    A  29           H2*        A  29   1.224  38.701  40.302
  312   2HO*    A  29          2HO*        A  29  -0.250  37.305  38.390
  313    H1*    A  29           H1*        A  29   1.250  36.018  38.895
  314    H8     A  29           H8         A  29   3.574  36.544  41.851
  315   1H6     A  29          1H6         A  29  -0.716  33.661  45.219
  316   2H6     A  29          2H6         A  29   0.894  34.291  45.199
  317    H2     A  29           H2         A  29  -2.434  34.477  41.154
  318   1H5*    G  30          1H5*        G  30  -1.039  37.611  36.437
  319   2H5*    G  30          2H5*        G  30  -1.538  38.564  35.038
  320    H4*    G  30           H4*        G  30  -3.050  39.801  36.243
  321    H3*    G  30           H3*        G  30  -1.404  39.706  38.502
  322    H2*    G  30           H2*        G  30  -2.277  37.694  39.480
  323   2HO*    G  30          2HO*        G  30  -3.993  38.144  40.784
  324    H1*    G  30           H1*        G  30  -5.019  38.297  38.289
  325    H8     G  30           H8         G  30  -3.040  35.185  37.281
  326    H1     G  30           H1         G  30  -7.691  34.262  41.597
  327   1H2     G  30          1H2         G  30  -8.505  36.240  42.315
  328   2H2     G  30          2H2         G  30  -7.858  37.701  41.691
  329   1H5*    G  31          1H5*        G  31  -1.504  43.485  40.342
  330   2H5*    G  31          2H5*        G  31  -0.084  42.514  40.728
  331    H4*    G  31           H4*        G  31  -2.832  41.373  40.670
  332    H3*    G  31           H3*        G  31  -2.103  43.299  42.643
  333    H2*    G  31           H2*        G  31  -0.931  41.845  44.098
  334   2HO*    G  31          2HO*        G  31  -2.205  40.892  45.482
  335    H1*    G  31           H1*        G  31  -2.426  39.425  42.998
  336    H8     G  31           H8         G  31  -1.469  37.618  44.544
  337    H1     G  31           H1         G  31   4.488  39.782  43.583
  338   1H2     G  31          1H2         G  31   4.453  41.670  42.347
  339   2H2     G  31          2H2         G  31   2.952  42.309  41.819
  340   1H5*    C  32          1H5*        C  32  -6.983  43.379  44.224
  341   2H5*    C  32          2H5*        C  32  -5.428  42.547  44.192
  342    H4*    C  32           H4*        C  32  -7.348  41.795  42.119
  343    H3*    C  32           H3*        C  32  -8.201  41.429  44.978
  344    H2*    C  32           H2*        C  32  -8.616  39.074  44.536
  345   2HO*    C  32          2HO*        C  32  -9.584  39.334  42.568
  346    H1*    C  32           H1*        C  32  -6.402  38.377  43.148
  347   1H4     C  32          1H4         C  32  -4.685  37.410  49.152
  348   2H4     C  32          2H4         C  32  -3.806  38.901  49.123
  349    H5     C  32           H5         C  32  -3.897  40.462  47.270
  350    H6     C  32           H6         C  32  -4.882  40.866  45.060
  351   1H5*    G  33          1H5*        G  33 -12.210  40.761  44.019
  352   2H5*    G  33          2H5*        G  33 -12.971  42.188  44.723
  353    H4*    G  33           H4*        G  33 -13.870  40.280  45.731
  354    H3*    G  33           H3*        G  33 -12.150  41.943  47.590
  355    H2*    G  33           H2*        G  33 -12.522  40.241  49.331
  356   2HO*    G  33          2HO*        G  33 -14.010  38.732  49.221
  357    H1*    G  33           H1*        G  33 -12.072  38.017  47.855
  358    H8     G  33           H8         G  33  -9.523  40.174  46.227
  359    H1     G  33           H1         G  33  -7.887  38.320  52.143
  360   1H2     G  33          1H2         G  33  -9.671  37.450  53.219
  361   2H2     G  33          2H2         G  33 -11.185  37.367  52.419
  362   1H5*    U  34          1H5*        U  34 -15.313  40.804  49.965
  363   2H5*    U  34          2H5*        U  34 -15.918  42.292  50.692
  364    H4*    U  34           H4*        U  34 -15.536  40.603  52.308
  365    H3*    U  34           H3*        U  34 -13.772  43.084  52.593
  366    H2*    U  34           H2*        U  34 -12.829  42.002  54.609
  367   2HO*    U  34          2HO*        U  34 -13.709  40.341  55.583
  368    H1*    U  34           H1*        U  34 -12.550  39.493  53.558
  369    H3     U  34           H3         U  34  -8.287  40.783  53.768
  370    H5     U  34           H5         U  34  -9.773  42.786  50.397
  371    H6     U  34           H6         U  34 -11.967  41.982  50.971
  372   1H5*    C  35          1H5*        C  35 -15.167  42.700  56.551
  373   2H5*    C  35          2H5*        C  35 -15.782  44.317  56.893
  374    H4*    C  35           H4*        C  35 -14.341  43.671  58.591
  375    H3*    C  35           H3*        C  35 -13.148  45.886  56.851
  376    H2*    C  35           H2*        C  35 -11.202  45.845  58.346
  377   2HO*    C  35          2HO*        C  35 -11.201  44.942  60.278
  378    H1*    C  35           H1*        C  35 -11.056  43.104  58.674
  379   1H4     C  35          1H4         C  35  -6.643  44.231  54.295
  380   2H4     C  35          2H4         C  35  -7.834  44.210  53.039
  381    H5     C  35           H5         C  35 -10.212  44.018  53.468
  382    H6     C  35           H6         C  35 -11.903  43.807  55.233
  383    H3T    C  35           H3T        C  35 -13.532  46.587  59.250
  384   1H5*    G  36          1H5*        G  36   3.295  43.302  58.436
  385   2H5*    G  36          2H5*        G  36   2.196  44.160  57.330
  386    H4*    G  36           H4*        G  36   1.850  43.736  60.268
  387    H3*    G  36           H3*        G  36   0.602  42.193  57.964
  388    H2*    G  36           H2*        G  36  -1.496  42.148  59.273
  389   2HO*    G  36          2HO*        G  36  -1.619  42.653  61.332
  390    H1*    G  36           H1*        G  36  -1.522  44.752  60.032
  391    H8     G  36           H8         G  36  -0.068  44.869  56.527
  392    H1     G  36           H1         G  36  -6.457  44.387  56.786
  393   1H2     G  36          1H2         G  36  -7.130  43.932  58.892
  394   2H2     G  36          2H2         G  36  -5.963  43.771  60.139
  395    H5T    G  36           H5T        G  36   3.896  45.502  58.113
  396   1H5*    A  37          1H5*        A  37  -0.814  40.204  61.378
  397   2H5*    A  37          2H5*        A  37  -0.474  38.509  61.032
  398    H4*    A  37           H4*        A  37  -2.712  38.815  61.694
  399    H3*    A  37           H3*        A  37  -2.382  37.901  58.795
  400    H2*    A  37           H2*        A  37  -4.840  37.862  58.663
  401   2HO*    A  37          2HO*        A  37  -6.119  37.863  60.346
  402    H1*    A  37           H1*        A  37  -5.306  40.196  60.045
  403    H8     A  37           H8         A  37  -2.397  41.036  57.801
  404   1H6     A  37          1H6         A  37  -6.555  42.015  53.349
  405   2H6     A  37          2H6         A  37  -4.897  42.183  53.814
  406    H2     A  37           H2         A  37  -8.641  40.071  56.816
  407   1H5*    C  38          1H5*        C  38  -5.321  35.387  60.223
  408   2H5*    C  38          2H5*        C  38  -4.922  33.783  59.607
  409    H4*    C  38           H4*        C  38  -7.143  34.536  59.080
  410    H3*    C  38           H3*        C  38  -5.303  33.849  56.738
  411    H2*    C  38           H2*        C  38  -7.097  34.432  55.233
  412   2HO*    C  38          2HO*        C  38  -9.152  34.408  55.746
  413    H1*    C  38           H1*        C  38  -8.248  36.490  56.768
  414   1H4     C  38          1H4         C  38  -5.435  39.406  51.893
  415   2H4     C  38          2H4         C  38  -3.999  39.600  52.839
  416    H5     C  38           H5         C  38  -3.711  38.611  55.034
  417    H6     C  38           H6         C  38  -4.792  37.224  56.746
  418   1H5*    G  39          1H5*        G  39  -9.082  31.883  55.962
  419   2H5*    G  39          2H5*        G  39  -8.590  30.285  55.400
  420    H4*    G  39           H4*        G  39 -10.176  31.420  53.975
  421    H3*    G  39           H3*        G  39  -7.509  30.580  52.736
  422    H2*    G  39           H2*        G  39  -8.370  31.485  50.607
  423   2HO*    G  39          2HO*        G  39 -10.391  31.850  50.214
  424    H1*    G  39           H1*        G  39  -9.487  33.774  51.624
  425    H8     G  39           H8         G  39  -6.245  33.545  53.524
  426    H1     G  39           H1         G  39  -5.610  35.642  47.499
  427   1H2     G  39          1H2         G  39  -7.522  35.319  46.345
  428   2H2     G  39          2H2         G  39  -8.871  34.599  47.124
  429   1H5*    G  40          1H5*        G  40  -8.157  27.402  49.051
  430   2H5*    G  40          2H5*        G  40  -6.913  28.603  49.397
  431    H4*    G  40           H4*        G  40  -9.332  28.916  47.684
  432    H3*    G  40           H3*        G  40  -6.447  28.445  46.865
  433    H2*    G  40           H2*        G  40  -6.800  30.069  45.036
  434   2HO*    G  40          2HO*        G  40  -8.694  30.729  44.392
  435    H1*    G  40           H1*        G  40  -8.050  32.004  46.462
  436    H8     G  40           H8         G  40  -5.769  31.109  49.191
  437    H1     G  40           H1         G  40  -2.724  33.873  44.273
  438   1H2     G  40          1H2         G  40  -4.046  33.907  42.443
  439   2H2     G  40          2H2         G  40  -5.625  33.244  42.527
  440   1H5*    C  41          1H5*        C  41  -7.938  28.186  43.220
  441   2H5*    C  41          2H5*        C  41  -7.406  26.638  42.564
  442    H4*    C  41           H4*        C  41  -6.799  28.403  41.138
  443    H3*    C  41           H3*        C  41  -4.419  26.992  42.437
  444    H2*    C  41           H2*        C  41  -2.982  28.514  41.116
  445   2HO*    C  41          2HO*        C  41  -3.761  29.799  39.542
  446    H1*    C  41           H1*        C  41  -4.401  30.808  41.567
  447   1H4     C  41          1H4         C  41  -0.016  31.034  46.106
  448   2H4     C  41          2H4         C  41  -1.003  30.071  47.153
  449    H5     C  41           H5         C  41  -3.104  29.082  46.458
  450    H6     C  41           H6         C  41  -4.662  28.839  44.579
  451   1H5*    U  42          1H5*        U  42  -3.165  26.659  38.304
  452   2H5*    U  42          2H5*        U  42  -2.820  24.932  38.236
  453    H4*    U  42           H4*        U  42  -1.000  26.156  37.425
  454    H3*    U  42           H3*        U  42  -0.415  24.734  40.069
  455    H2*    U  42           H2*        U  42   1.877  25.623  39.887
  456   2HO*    U  42          2HO*        U  42   2.715  26.382  38.105
  457    H1*    U  42           H1*        U  42   1.210  28.148  39.030
  458    H3     U  42           H3         U  42   2.764  28.891  43.165
  459    H5     U  42           H5         U  42  -1.163  27.551  43.766
  460    H6     U  42           H6         U  42  -1.284  27.058  41.414
  461   1H5*    U  43          1H5*        U  43   2.822  23.781  37.585
  462   2H5*    U  43          2H5*        U  43   3.267  22.119  37.969
  463    H4*    U  43           H4*        U  43   5.031  23.785  38.173
  464    H3*    U  43           H3*        U  43   4.387  22.012  40.579
  465    H2*    U  43           H2*        U  43   6.116  23.165  41.812
  466   2HO*    U  43          2HO*        U  43   7.722  24.256  40.906
  467    H1*    U  43           H1*        U  43   5.793  25.705  40.657
  468    H3     U  43           H3         U  43   5.193  26.249  45.103
  469    H5     U  43           H5         U  43   1.480  24.964  43.640
  470    H6     U  43           H6         U  43   2.540  24.527  41.525
  471   1H5*    G  44          1H5*        G  44   8.751  22.000  39.556
  472   2H5*    G  44          2H5*        G  44   9.230  20.327  39.850
  473    H4*    G  44           H4*        G  44  10.748  21.940  40.787
  474    H3*    G  44           H3*        G  44   9.427  19.982  42.703
  475    H2*    G  44           H2*        G  44  10.670  21.099  44.528
  476   2HO*    G  44          2HO*        G  44  12.277  22.450  44.212
  477    H1*    G  44           H1*        G  44  10.166  23.667  43.809
  478    H8     G  44           H8         G  44   7.005  21.685  42.964
  479    H1     G  44           H1         G  44   7.480  23.658  49.045
  480   1H2     G  44          1H2         G  44   9.538  24.491  49.447
  481   2H2     G  44          2H2         G  44  10.701  24.523  48.186
  482   1H5*    C  45          1H5*        C  45  13.322  19.931  44.064
  483   2H5*    C  45          2H5*        C  45  13.736  18.219  44.159
  484    H4*    C  45           H4*        C  45  14.203  19.244  46.197
  485    H3*    C  45           H3*        C  45  11.839  17.316  46.365
  486    H2*    C  45           H2*        C  45  11.748  17.864  48.779
  487   2HO*    C  45          2HO*        C  45  13.301  18.835  49.829
  488    H1*    C  45           H1*        C  45  12.048  20.567  48.533
  489   1H4     C  45          1H4         C  45   5.765  20.006  48.604
  490   2H4     C  45          2H4         C  45   5.736  19.619  46.917
  491    H5     C  45           H5         C  45   7.742  19.324  45.588
  492    H6     C  45           H6         C  45  10.195  19.349  45.658
  493   1H5*    U  46          1H5*        U  46  14.112  16.182  49.585
  494   2H5*    U  46          2H5*        U  46  14.061  14.420  49.658
  495    H4*    U  46           H4*        U  46  13.319  15.409  51.676
  496    H3*    U  46           H3*        U  46  11.194  13.814  50.168
  497    H2*    U  46           H2*        U  46   9.670  14.346  52.047
  498   2HO*    U  46          2HO*        U  46  10.312  15.095  53.916
  499    H1*    U  46           H1*        U  46  10.323  16.986  52.289
  500    H3     U  46           H3         U  46   6.272  17.308  50.456
  501    H5     U  46           H5         U  46   8.748  16.280  47.231
  502    H6     U  46           H6         U  46  10.550  15.987  48.797
  503   1H5*    G  47          1H5*        G  47  11.065  12.729  54.148
  504   2H5*    G  47          2H5*        G  47  10.911  10.975  54.249
  505    H4*    G  47           H4*        G  47   9.315  12.223  55.563
  506    H3*    G  47           H3*        G  47   8.290  10.244  53.502
  507    H2*    G  47           H2*        G  47   6.065  10.934  53.839
  508   2HO*    G  47          2HO*        G  47   5.277  11.555  55.713
  509    H1*    G  47           H1*        G  47   6.604  13.551  54.924
  510    H8     G  47           H8         G  47   7.725  13.698  51.391
  511    H1     G  47           H1         G  47   1.346  13.901  52.012
  512   1H2     G  47          1H2         G  47   0.738  13.309  54.103
  513   2H2     G  47          2H2         G  47   1.942  12.891  55.250
  514   1H5*    A  48          1H5*        A  48   7.701   8.869  57.428
  515   2H5*    A  48          2H5*        A  48   7.541   7.169  57.869
  516    H4*    A  48           H4*        A  48   5.469   8.407  57.878
  517    H3*    A  48           H3*        A  48   5.745   5.919  56.236
  518    H2*    A  48           H2*        A  48   3.968   6.396  54.839
  519   2HO*    A  48          2HO*        A  48   2.729   7.429  57.131
  520    H1*    A  48           H1*        A  48   3.442   9.130  55.854
  521    H8     A  48           H8         A  48   6.018   8.332  53.093
  522   1H6     A  48          1H6         A  48   1.712  10.442  49.211
  523   2H6     A  48          2H6         A  48   3.341   9.878  49.365
  524    H2     A  48           H2         A  48  -0.063  10.290  53.331
  525   1H5*    A  49          1H5*        A  49   3.641   2.452  57.917
  526   2H5*    A  49          2H5*        A  49   4.038   2.150  56.226
  527    H4*    A  49           H4*        A  49   2.142   4.087  57.436
  528    H3*    A  49           H3*        A  49   1.657   1.682  56.035
  529    H2*    A  49           H2*        A  49   1.841   2.539  53.817
  530   2HO*    A  49          2HO*        A  49  -0.508   3.867  54.564
  531    H1*    A  49           H1*        A  49   1.018   5.312  54.778
  532    H8     A  49           H8         A  49   4.428   4.424  53.240
  533   1H6     A  49          1H6         A  49   2.433   7.602  48.343
  534   2H6     A  49          2H6         A  49   3.778   6.783  49.060
  535    H2     A  49           H2         A  49  -0.958   7.244  51.261
  536   1H5*    G  50          1H5*        G  50  -3.422   1.218  55.318
  537   2H5*    G  50          2H5*        G  50  -2.295   1.986  54.200
  538    H4*    G  50           H4*        G  50  -4.561   3.359  55.580
  539    H3*    G  50           H3*        G  50  -4.679   1.909  52.935
  540    H2*    G  50           H2*        G  50  -5.838   3.841  51.980
  541   2HO*    G  50          2HO*        G  50  -7.205   4.335  53.551
  542    H1*    G  50           H1*        G  50  -4.304   5.850  52.942
  543    H8     G  50           H8         G  50  -1.340   3.900  52.494
  544    H1     G  50           H1         G  50  -4.234   4.969  46.873
  545   1H2     G  50          1H2         G  50  -6.360   5.651  47.198
  546   2H2     G  50          2H2         G  50  -6.965   5.812  48.795
  547   1H5*    C  51          1H5*        C  51  -8.764   1.969  53.380
  548   2H5*    C  51          2H5*        C  51  -9.350   0.327  53.116
  549    H4*    C  51           H4*        C  51 -10.217   1.907  51.550
  550    H3*    C  51           H3*        C  51  -8.545  -0.367  50.377
  551    H2*    C  51           H2*        C  51  -9.032   0.587  48.162
  552   2HO*    C  51          2HO*        C  51 -10.584   1.975  47.783
  553    H1*    C  51           H1*        C  51  -8.728   3.239  48.842
  554   1H4     C  51          1H4         C  51  -3.154   1.701  46.269
  555   2H4     C  51          2H4         C  51  -2.542   1.249  47.826
  556    H5     C  51           H5         C  51  -3.914   1.186  49.823
  557    H6     C  51           H6         C  51  -6.179   1.557  50.693
  558   1H5*    G  52          1H5*        G  52 -12.033  -0.226  47.874
  559   2H5*    G  52          2H5*        G  52 -12.488  -1.929  47.799
  560    H4*    G  52           H4*        G  52 -12.384  -1.036  45.643
  561    H3*    G  52           H3*        G  52 -10.185  -3.080  46.202
  562    H2*    G  52           H2*        G  52  -9.462  -2.733  43.859
  563   2HO*    G  52          2HO*        G  52 -10.634  -1.729  42.396
  564    H1*    G  52           H1*        G  52  -9.630  -0.008  43.843
  565    H8     G  52           H8         G  52  -8.284  -1.223  47.244
  566    H1     G  52           H1         G  52  -3.894  -0.233  42.678
  567   1H2     G  52          1H2         G  52  -4.894   0.183  40.697
  568   2H2     G  52          2H2         G  52  -6.606   0.196  40.599
  569   1H5*    C  53          1H5*        C  53 -11.980  -4.042  42.411
  570   2H5*    C  53          2H5*        C  53 -11.922  -5.802  42.309
  571    H4*    C  53           H4*        C  53 -10.926  -4.642  40.441
  572    H3*    C  53           H3*        C  53  -9.152  -6.575  42.012
  573    H2*    C  53           H2*        C  53  -7.367  -6.042  40.404
  574   2HO*    C  53          2HO*        C  53  -7.693  -5.153  38.522
  575    H1*    C  53           H1*        C  53  -7.831  -3.332  40.243
  576   1H4     C  53          1H4         C  53  -3.134  -3.548  44.445
  577   2H4     C  53          2H4         C  53  -4.212  -4.048  45.704
  578    H5     C  53           H5         C  53  -6.560  -4.525  45.331
  579    H6     C  53           H6         C  53  -8.324  -4.607  43.629
  580   1H5*    G  54          1H5*        G  54  -8.545  -7.726  37.952
  581   2H5*    G  54          2H5*        G  54  -8.380  -9.480  38.024
  582    H4*    G  54           H4*        G  54  -6.524  -8.389  36.983
  583    H3*    G  54           H3*        G  54  -5.906  -9.988  39.515
  584    H2*    G  54           H2*        G  54  -3.539  -9.383  39.153
  585   2HO*    G  54          2HO*        G  54  -2.770  -8.648  37.334
  586    H1*    G  54           H1*        G  54  -3.948  -6.755  38.483
  587    H8     G  54           H8         G  54  -6.307  -7.641  41.372
  588    H1     G  54           H1         G  54  -0.372  -5.920  43.082
  589   1H2     G  54          1H2         G  54   0.960  -5.768  41.266
  590   2H2     G  54          2H2         G  54   0.316  -6.099  39.712
  591   1H5*    C  55          1H5*        C  55  -3.003 -11.304  36.770
  592   2H5*    C  55          2H5*        C  55  -2.865 -13.040  37.045
  593    H4*    C  55           H4*        C  55  -0.778 -11.907  37.204
  594    H3*    C  55           H3*        C  55  -1.731 -13.291  39.760
  595    H2*    C  55           H2*        C  55   0.379 -12.555  40.792
  596   2HO*    C  55          2HO*        C  55   2.065 -11.876  39.695
  597    H1*    C  55           H1*        C  55   0.440 -10.023  39.711
  598   1H4     C  55          1H4         C  55  -2.009  -8.885  45.408
  599   2H4     C  55          2H4         C  55  -3.559  -9.486  44.921
  600    H5     C  55           H5         C  55  -3.978 -10.470  42.746
  601    H6     C  55           H6         C  55  -2.945 -11.066  40.602
  602   1H5*    A  56          1H5*        A  56   0.147 -17.219  41.160
  603   2H5*    A  56          2H5*        A  56  -0.380 -15.834  42.115
  604    H4*    A  56           H4*        A  56   2.409 -16.787  41.599
  605    H3*    A  56           H3*        A  56   0.693 -17.056  44.043
  606    H2*    A  56           H2*        A  56   2.519 -16.250  45.413
  607   2HO*    A  56          2HO*        A  56   4.551 -16.198  44.808
  608    H1*    A  56           H1*        A  56   3.424 -14.130  44.001
  609    H8     A  56           H8         A  56  -0.089 -13.627  43.097
  610   1H6     A  56          1H6         A  56  -0.976 -11.316  48.748
  611   2H6     A  56          2H6         A  56  -1.642 -11.501  47.162
  612    H2     A  56           H2         A  56   3.016 -13.367  48.679
  613   1H5*    C  57          1H5*        C  57   4.214 -18.676  45.269
  614   2H5*    C  57          2H5*        C  57   3.847 -20.322  45.785
  615    H4*    C  57           H4*        C  57   5.171 -19.042  47.366
  616    H3*    C  57           H3*        C  57   2.543 -20.241  48.296
  617    H2*    C  57           H2*        C  57   2.954 -19.198  50.497
  618   2HO*    C  57          2HO*        C  57   4.816 -18.435  51.115
  619    H1*    C  57           H1*        C  57   3.688 -16.736  49.639
  620   1H4     C  57          1H4         C  57  -2.625 -16.429  50.309
  621   2H4     C  57          2H4         C  57  -2.761 -16.378  48.584
  622    H5     C  57           H5         C  57  -0.878 -16.716  47.092
  623    H6     C  57           H6         C  57   1.530 -17.175  47.005
  624   1H5*    G  58          1H5*        G  58   5.197 -21.201  51.285
  625   2H5*    G  58          2H5*        G  58   5.039 -22.925  51.619
  626    H4*    G  58           H4*        G  58   4.935 -21.434  53.550
  627    H3*    G  58           H3*        G  58   2.647 -23.407  53.082
  628    H2*    G  58           H2*        G  58   1.649 -22.538  55.163
  629   2HO*    G  58          2HO*        G  58   2.707 -21.462  56.619
  630    H1*    G  58           H1*        G  58   2.169 -19.876  54.718
  631    H8     G  58           H8         G  58   1.037 -20.665  51.307
  632    H1     G  58           H1         G  58  -3.736 -20.896  55.582
  633   1H2     G  58          1H2         G  58  -2.913 -20.932  57.684
  634   2H2     G  58          2H2         G  58  -1.215 -20.895  57.930
  635   1H5*    G  59          1H5*        G  59   3.633 -24.709  56.968
  636   2H5*    G  59          2H5*        G  59   3.337 -26.447  56.921
  637    H4*    G  59           H4*        G  59   1.997 -25.152  58.506
  638    H3*    G  59           H3*        G  59   0.583 -26.960  56.487
  639    H2*    G  59           H2*        G  59  -1.534 -26.260  57.552
  640   2HO*    G  59          2HO*        G  59  -1.662 -25.366  59.445
  641    H1*    G  59           H1*        G  59  -0.942 -23.593  57.785
  642    H8     G  59           H8         G  59   0.425 -24.285  54.374
  643    H1     G  59           H1         G  59  -5.978 -24.024  54.571
  644   1H2     G  59          1H2         G  59  -6.705 -24.075  56.706
  645   2H2     G  59          2H2         G  59  -5.567 -24.170  57.987
  646   1H5*    C  60          1H5*        C  60  -1.233 -28.318  60.168
  647   2H5*    C  60          2H5*        C  60  -1.206 -30.067  59.943
  648    H4*    C  60           H4*        C  60  -3.375 -29.227  60.470
  649    H3*    C  60           H3*        C  60  -3.098 -30.602  57.754
  650    H2*    C  60           H2*        C  60  -5.525 -30.201  57.469
  651   2HO*    C  60          2HO*        C  60  -6.828 -29.692  59.040
  652    H1*    C  60           H1*        C  60  -5.559 -27.622  58.369
  653   1H4     C  60          1H4         C  60  -4.937 -26.875  52.127
  654   2H4     C  60          2H4         C  60  -3.213 -26.982  52.257
  655    H5     C  60           H5         C  60  -2.067 -27.501  54.329
  656    H6     C  60           H6         C  60  -2.394 -28.022  56.704
  657   1H5*    A  61          1H5*        A  61  -6.611 -32.340  59.670
  658   2H5*    A  61          2H5*        A  61  -6.508 -34.034  59.189
  659    H4*    A  61           H4*        A  61  -8.628 -32.991  58.717
  660    H3*    A  61           H3*        A  61  -7.088 -34.163  56.351
  661    H2*    A  61           H2*        A  61  -9.015 -33.478  54.950
  662   2HO*    A  61          2HO*        A  61 -10.904 -33.016  55.701
  663    H1*    A  61           H1*        A  61  -9.356 -30.990  56.024
  664    H8     A  61           H8         A  61  -5.598 -31.533  55.846
  665   1H6     A  61          1H6         A  61  -5.986 -29.446  50.053
  666   2H6     A  61          2H6         A  61  -4.918 -29.898  51.337
  667    H2     A  61           H2         A  61 -10.151 -30.055  51.609
  668   1H5*    A  62          1H5*        A  62 -11.104 -36.202  56.062
  669   2H5*    A  62          2H5*        A  62 -10.670 -37.582  55.053
  670    H4*    A  62           H4*        A  62 -12.370 -35.849  54.282
  671    H3*    A  62           H3*        A  62 -10.263 -37.101  52.454
  672    H2*    A  62           H2*        A  62 -11.194 -35.695  50.649
  673   2HO*    A  62          2HO*        A  62 -13.078 -34.788  50.716
  674    H1*    A  62           H1*        A  62 -11.468 -33.390  52.108
  675    H8     A  62           H8         A  62  -8.163 -34.565  53.361
  676   1H6     A  62          1H6         A  62  -5.696 -32.342  48.161
  677   2H6     A  62          2H6         A  62  -5.368 -32.966  49.741
  678    H2     A  62           H2         A  62 -10.160 -32.371  47.698
  679   1H5*    G  63          1H5*        G  63 -13.754 -37.962  50.027
  680   2H5*    G  63          2H5*        G  63 -13.323 -39.544  49.378
  681    H4*    G  63           H4*        G  63 -13.774 -37.802  47.735
  682    H3*    G  63           H3*        G  63 -11.099 -39.277  47.614
  683    H2*    G  63           H2*        G  63 -10.597 -37.909  45.616
  684   2HO*    G  63          2HO*        G  63 -12.050 -36.801  44.545
  685    H1*    G  63           H1*        G  63 -11.503 -35.519  46.594
  686    H8     G  63           H8         G  63  -9.814 -36.846  49.648
  687    H1     G  63           H1         G  63  -5.730 -34.822  45.140
  688   1H2     G  63          1H2         G  63  -6.810 -34.495  43.185
  689   2H2     G  63          2H2         G  63  -8.496 -34.790  43.088
  690   1H5*    A  64          1H5*        A  64 -11.951 -43.376  44.294
  691   2H5*    A  64          2H5*        A  64 -10.859 -42.222  45.057
  692    H4*    A  64           H4*        A  64 -12.915 -41.404  43.086
  693    H3*    A  64           H3*        A  64 -11.177 -43.126  42.011
  694    H2*    A  64           H2*        A  64  -9.097 -42.141  42.947
  695   2HO*    A  64          2HO*        A  64  -9.346 -40.688  40.582
  696    H1*    A  64           H1*        A  64 -10.050 -39.423  42.010
  697    H8     A  64           H8         A  64  -9.648 -40.042  45.737
  698   1H6     A  64          1H6         A  64  -4.190 -37.218  45.199
  699   2H6     A  64          2H6         A  64  -5.360 -37.860  46.299
  700    H2     A  64           H2         A  64  -5.826 -37.910  41.077
  701   1H5*    G  65          1H5*        G  65 -10.134 -40.910  38.633
  702   2H5*    G  65          2H5*        G  65 -10.782 -41.816  37.264
  703    H4*    G  65           H4*        G  65  -8.878 -43.085  37.028
  704    H3*    G  65           H3*        G  65  -8.439 -43.069  39.775
  705    H2*    G  65           H2*        G  65  -7.193 -41.010  39.918
  706   2HO*    G  65          2HO*        G  65  -5.046 -41.412  39.696
  707    H1*    G  65           H1*        G  65  -6.007 -41.547  37.160
  708    H8     G  65           H8         G  65  -8.206 -38.491  37.823
  709    H1     G  65           H1         G  65  -1.884 -37.428  37.810
  710   1H2     G  65          1H2         G  65  -0.754 -39.381  37.751
  711   2H2     G  65          2H2         G  65  -1.621 -40.861  37.716
  712   1H5*    G  66          1H5*        G  66  -6.749 -46.982  40.662
  713   2H5*    G  66          2H5*        G  66  -7.341 -46.134  42.091
  714    H4*    G  66           H4*        G  66  -5.646 -44.874  39.985
  715    H3*    G  66           H3*        G  66  -4.618 -46.770  41.872
  716    H2*    G  66           H2*        G  66  -4.278 -45.273  43.665
  717   2HO*    G  66          2HO*        G  66  -2.438 -44.201  43.535
  718    H1*    G  66           H1*        G  66  -4.222 -42.881  41.772
  719    H8     G  66           H8         G  66  -3.692 -41.042  43.475
  720    H1     G  66           H1         G  66  -8.243 -43.232  47.424
  721   1H2     G  66          1H2         G  66  -9.123 -45.151  46.627
  722   2H2     G  66          2H2         G  66  -8.541 -45.803  45.151
  723   1H5*    C  67          1H5*        C  67  -0.319 -47.389  39.601
  724   2H5*    C  67          2H5*        C  67  -1.363 -46.438  40.656
  725    H4*    C  67           H4*        C  67  -1.246 -45.643  37.847
  726    H3*    C  67           H3*        C  67   1.312 -45.545  39.451
  727    H2*    C  67           H2*        C  67   1.607 -43.219  38.739
  728   2HO*    C  67          2HO*        C  67   1.027 -43.426  36.653
  729    H1*    C  67           H1*        C  67  -0.896 -42.280  39.155
  730   1H4     C  67          1H4         C  67   1.847 -41.246  44.744
  731   2H4     C  67          2H4         C  67   1.266 -42.770  45.327
  732    H5     C  67           H5         C  67   0.125 -44.381  43.921
  733    H6     C  67           H6         C  67  -0.678 -44.816  41.644
  734   1H5*    G  68          1H5*        G  68   3.634 -44.800  36.226
  735   2H5*    G  68          2H5*        G  68   4.697 -46.205  36.163
  736    H4*    G  68           H4*        G  68   6.000 -44.288  36.411
  737    H3*    G  68           H3*        G  68   5.996 -46.062  38.875
  738    H2*    G  68           H2*        G  68   7.454 -44.390  39.963
  739   2HO*    G  68          2HO*        G  68   8.458 -42.840  38.928
  740    H1*    G  68           H1*        G  68   6.089 -42.158  39.260
  741    H8     G  68           H8         G  68   3.152 -44.388  39.754
  742    H1     G  68           H1         G  68   5.964 -42.623  45.239
  743   1H2     G  68          1H2         G  68   7.982 -41.699  44.829
  744   2H2     G  68          2H2         G  68   8.538 -41.559  43.213
  745   1H5*    U  69          1H5*        U  69   9.960 -44.910  38.489
  746   2H5*    U  69          2H5*        U  69  10.891 -46.404  38.604
  747    H4*    U  69           H4*        U  69  11.689 -44.723  40.078
  748    H3*    U  69           H3*        U  69  10.602 -47.239  41.432
  749    H2*    U  69           H2*        U  69  11.252 -46.194  43.577
  750   2HO*    U  69          2HO*        U  69  12.550 -44.526  43.736
  751    H1*    U  69           H1*        U  69  10.334 -43.672  43.029
  752    H3     U  69           H3         U  69   7.362 -45.038  46.067
  753    H5     U  69           H5         U  69   6.140 -46.942  42.537
  754    H6     U  69           H6         U  69   8.140 -46.120  41.481
  755   1H5*    C  70          1H5*        C  70  14.244 -46.877  43.522
  756   2H5*    C  70          2H5*        C  70  14.922 -48.492  43.322
  757    H4*    C  70           H4*        C  70  14.921 -47.906  45.573
  758    H3*    C  70           H3*        C  70  12.923 -50.129  44.930
  759    H2*    C  70           H2*        C  70  12.328 -50.174  47.278
  760   2HO*    C  70          2HO*        C  70  13.564 -49.415  48.849
  761    H1*    C  70           H1*        C  70  12.605 -47.436  47.799
  762   1H4     C  70          1H4         C  70   6.344 -48.257  47.723
  763   2H4     C  70          2H4         C  70   6.321 -48.214  45.993
  764    H5     C  70           H5         C  70   8.330 -48.099  44.641
  765    H6     C  70           H6         C  70  10.780 -48.002  44.726
  766    H3T    C  70           H3T        C  70  14.766 -50.854  46.512