*HEADER    RNA                                     22-OCT-03   1R7Z              
*TITLE     NMR STRUCTURE OF THE R(GGAGGACAUUCCUCACGGGUGACCGUGGUCCUCC),           
*TITLE    2 DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES WITH AUUCCU BULGE          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 34-MER;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DOMAIN IV, LOOP B;                                         
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES;                                                       
*COMPND   7 OTHER_DETAILS: RNA FRAGMENT OF ENTEROVIRAL IRES                      
*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    STEM-AND-LOOP STRUCTURE, SIX-NUCLEOTIDE BULGE, GUGA                   
*KEYWDS   2 TETRALOOP                                                            
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.DU, N.B.ULYANOV, J.YU, T.L.JAMES                                    
*REVDAT   1   25-MAY-04 1R7Z    0                                                


# October 20, 2003
#
# Z. Du, N.B. Ulyanov, J. Yu, T.L. James
#
# Experimental NMR data for the RNA 34mer
# r(GGAGGACAUUCCUCACGGGUGACCGUGGUCCUCC)
#
# Content of this file:
#
# (1)  Distance restraints for nonexchangeable protons
# (2)  Distance restraints for exchangeable protons
# (3)  "Non-NOE" distance restraints
# (4)  Integrated intensities of cross-peaks in the 200-ms
#               600 MHz D2O NOESY acquired at 25 oC
# (5)  Sugar pucker restraints
# (6)  Residual dipolar couplings
# (7)  Table of chemical shifts
#
# 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) quantitative restraints involving nonexchangeable protons
#
# Distance restraints involving nonexchangeable protons were calculated with the
# MARDIGRAS program using integrated intensities in the D2O NOESY dataset. The
# RANDMARDI procedure was run 50 times assuming isotropic effective correlation
# times of 7,8, and 9 ns. For each proton pair, all distance
# estimates were pooled together, and 10% of the lowest and 10% of the highest estimates
# were discarded. Min-max of the remaining estimates were accepted as the lower
# and upper bounds.
# Fixed distances and intra-sugar distances with low variation (such as H1'-H2')
# were excluded from the list of restraints.
#
# All distances are in angstrom.
#
# Cleaned from tf10u_may28_03.restraints   Mon Aug 18 14:58:48 2003
#Restraints obtained from mardigras inp= 789.mardi * filter= filter *** Dec 21 2002
ATOM- i ATOM- j   r_low   r_up     k_low     k_up
H8    1 H4'   1   3.510   4.350    10.00    10.00
H8    1 H3'   1   3.050   3.620    10.00    10.00
H8    1 1H2'  1   2.800   3.090    10.00    10.00
H8    1 H1'   1   3.370   3.720    10.00    10.00
H3'   2 1H2'  1   4.670   5.820    10.00    10.00
H1'   2 1H2'  1   3.480   3.920    10.00    10.00
H1'   2 2H5'  2   3.630   5.760    10.00    10.00
H1'   2 H4'   2   3.000   3.180    10.00    10.00
H8    2 H3'   1   3.130   4.840    10.00    10.00
H8    2 1H2'  1   2.390   2.700    10.00    10.00
H8    2 H1'   1   3.410   4.030    10.00    10.00
H8    2 H8    1   4.440   6.210    10.00    10.00
H8    2 1H2'  2   3.940   6.310    10.00    10.00
H8    2 H1'   2   3.350   3.620    10.00    10.00
1H5'  3 H1'   2   3.810   5.980    10.00    10.00
H1'   3 1H5'  3   3.840   5.730    10.00    10.00
H1'   3 H4'   3   3.190   3.390    10.00    10.00
H2    3 1H2'  3   4.400   4.910    10.00    10.00
H2    3 H1'   3   4.350   4.670    10.00    10.00
H8    3 H8    2   3.780   5.720    10.00    10.00
H8    3 H1'   3   3.120   3.440    10.00    10.00
1H5'  4 H1'   3   4.230   5.780    10.00    10.00
1H2'  4 H2    3   5.140   6.910    10.00    10.00
H1'   4 1H2'  3   3.330   3.650    10.00    10.00
H1'   4 H1'   3   4.740   5.720    10.00    10.00
H1'   4 H2    3   3.000   3.270    10.00    10.00
H1'   4 H4'   4   2.900   3.120    10.00    10.00
H8    4 H3'   3   3.730   4.940    10.00    10.00
H8    4 1H2'  3   2.260   2.600    10.00    10.00
H8    4 H1'   3   4.230   5.780    10.00    10.00
H8    4 H2    3   4.340   5.060    10.00    10.00
H8    4 H8    3   3.280   4.500    10.00    10.00
H8    4 1H5'  4   2.410   2.720    10.00    10.00
H8    4 H4'   4   3.450   4.450    10.00    10.00
H8    4 1H2'  4   3.160   4.200    10.00    10.00
H8    4 H1'   4   3.350   3.730    10.00    10.00
H8    5 H3'   4   3.040   4.470    10.00    10.00
H8    5 H1'   4   4.030   6.040    10.00    10.00
H8    5 H8    4   4.730   6.550    10.00    10.00
H8    5 1H5'  5   2.270   3.590    10.00    10.00
H8    5 H1'   5   3.340   3.770    10.00    10.00
H1'   6 1H2'  5   3.690   3.930    10.00    10.00
H1'   6 H1'   5   4.720   5.470    10.00    10.00
H1'   6 1H5'  6   4.360   5.740    10.00    10.00
H1'   6 H4'   6   3.110   3.230    10.00    10.00
H2    6 H1'   6   4.390   4.780    10.00    10.00
H8    6 H1'   5   3.570   5.700    10.00    10.00
H8    6 H8    5   4.000   5.610    10.00    10.00
H8    6 H1'   6   3.750   4.150    10.00    10.00
1H5'  7 H1'   6   4.640   5.640    10.00    10.00
H4'   7 H1'   6   4.550   5.160    10.00    10.00
H3'   7 H1'   6   5.140   5.980    10.00    10.00
H1'   7 1H2'  6   3.320   4.820    10.00    10.00
H1'   7 H1'   6   4.270   5.000    10.00    10.00
H1'   7 H2    6   2.930   3.170    10.00    10.00
H1'   7 1H5'  7   3.840   5.290    10.00    10.00
H1'   7 H4'   7   2.940   3.310    10.00    10.00
H5    7 H1'   6   4.530   6.550    10.00    10.00
H5    7 H8    6   3.660   3.950    10.00    10.00
H5    7 1H5'  7   3.680   6.820    10.00    10.00
H5    7 2H5'  7   3.600   6.660    10.00    10.00
H5    7 H4'   7   5.230   6.910    10.00    10.00
H5    7 H3'   7   4.130   6.330    10.00    10.00
H5    7 1H2'  7   3.610   6.690    10.00    10.00
H5    7 H1'   7   4.270   6.580    10.00    10.00
H6    7 H1'   6   4.760   6.130    10.00    10.00
H6    7 H2    6   4.260   5.460    10.00    10.00
H6    7 H8    6   4.840   5.370    10.00    10.00
H6    7 2H5'  7   3.460   6.150    10.00    10.00
H6    7 H4'   7   3.110   3.410    10.00    10.00
H6    7 H3'   7   2.390   2.620    10.00    10.00
H6    7 1H2'  7   2.620   4.210    10.00    10.00
H6    7 H1'   7   2.880   4.430    10.00    10.00
H1'   8 1H2'  7   2.980   3.390    10.00    10.00
H1'   8 H1'   7   4.410   5.750    10.00    10.00
H1'   8 1H5'  8   3.070   5.250    10.00    10.00
H2    8 1H2'  8   4.080   4.560    10.00    10.00
H2    8 H1'   8   4.080   4.440    10.00    10.00
H8    8 H1'   7   3.780   6.620    10.00    10.00
H8    8 H6    7   2.980   5.020    10.00    10.00
H8    8 1H5'  8   2.300   4.010    10.00    10.00
1H5'  9 H1'   8   2.960   3.000    10.00    10.00
H4'   9 H2    8   5.310   6.630    10.00    10.00
H1'   9 1H2'  8   3.420   5.100    10.00    10.00
H1'   9 H1'   8   4.080   5.490    10.00    10.00
H1'   9 H2    8   3.240   3.400    10.00    10.00
H1'   9 1H5'  9   3.580   5.410    10.00    10.00
H1'   9 H4'   9   3.020   3.240    10.00    10.00
H5    9 1H2'  7   3.540   5.990    10.00    10.00
H5    9 H3'   8   2.680   5.540    10.00    10.00
H5    9 1H2'  8   2.530   5.410    10.00    10.00
H5    9 H1'   8   4.140   6.510    10.00    10.00
H5    9 H2    8   4.970   6.010    10.00    10.00
H5    9 H8    8   3.070   4.160    10.00    10.00
H5    9 1H5'  9   3.990   4.900    10.00    10.00
H5    9 1H2'  9   2.980   5.900    10.00    10.00
H5    9 H1'   9   4.030   6.290    10.00    10.00
H6    9 1H2'  7   2.770   6.290    10.00    10.00
H6    9 1H2'  8   2.350   4.180    10.00    10.00
H6    9 H1'   8   2.340   5.030    10.00    10.00
H6    9 H8    8   3.160   6.400    10.00    10.00
H6    9 1H5'  9   2.160   3.540    10.00    10.00
H6    9 H3'   9   2.530   2.760    10.00    10.00
H6    9 1H2'  9   2.150   2.480    10.00    10.00
H6    9 H1'   9   3.290   4.250    10.00    10.00
H1'  10 1H5' 10   2.540   5.820    10.00    10.00
H5   10 H2    8   5.000   6.340    10.00    10.00
H5   10 H1'   9   3.820   4.940    10.00    10.00
H5   10 H5    9   4.410   5.320    10.00    10.00
H5   10 H6    9   3.590   6.910    10.00    10.00
H5   10 1H2' 10   2.840   5.360    10.00    10.00
H6   10 H4'   9   3.680   4.170    10.00    10.00
H6   10 H3'   9   3.230   3.780    10.00    10.00
H6   10 1H2'  9   3.290   3.940    10.00    10.00
H6   10 H1'   9   4.370   6.330    10.00    10.00
H6   10 H6    9   4.000   5.920    10.00    10.00
H6   10 1H5' 10   2.450   3.300    10.00    10.00
H6   10 H3'  10   2.870   5.450    10.00    10.00
H6   10 1H2' 10   1.940   2.920    10.00    10.00
H5   11 H1'   9   4.190   4.890    10.00    10.00
H5   11 1H5' 10   3.200   5.060    10.00    10.00
H5   11 H3'  10   3.260   6.200    10.00    10.00
H5   11 1H2' 10   2.850   4.900    10.00    10.00
H5   11 H5   10   3.310   5.350    10.00    10.00
H5   11 H6   10   3.560   6.630    10.00    10.00
H5   11 H3'  11   3.180   6.020    10.00    10.00
H5   11 1H2' 11   2.770   6.100    10.00    10.00
H6   11 1H5' 10   2.540   5.640    10.00    10.00
H6   11 1H2' 10   2.740   4.590    10.00    10.00
H6   11 1H2' 11   1.960   2.680    10.00    10.00
H6   11 H1'  11   2.450   3.500    10.00    10.00
1H5' 12 H1'  11   2.550   3.380    10.00    10.00
H1'  12 1H5' 12   3.650   5.360    10.00    10.00
H5   12 H3'  11   3.520   4.700    10.00    10.00
H5   12 1H2' 11   3.050   3.640    10.00    10.00
H5   12 H6   11   3.610   6.610    10.00    10.00
H5   12 1H5' 12   3.460   6.410    10.00    10.00
H6   12 H1'  11   3.940   6.260    10.00    10.00
H6   12 1H2' 12   2.200   2.670    10.00    10.00
H1'  13 1H5' 13   3.700   5.820    10.00    10.00
H1'  13 H4'  13   2.630   3.220    10.00    10.00
H5   13 1H5' 12   4.840   6.230    10.00    10.00
H5   13 H6   12   3.570   6.180    10.00    10.00
H5   13 1H5' 13   3.850   5.140    10.00    10.00
H5   13 1H2' 13   3.220   4.170    10.00    10.00
H1'  14 1H2' 11   3.410   5.590    10.00    10.00
H1'  14 1H5' 12   2.750   4.560    10.00    10.00
H1'  14 H5   12   3.700   6.550    10.00    10.00
H1'  14 H6   12   2.730   5.290    10.00    10.00
H5   14 H1'  11   3.140   5.800    10.00    10.00
H5   14 H1'  12   3.240   3.700    10.00    10.00
H5   14 H6   12   3.070   6.600    10.00    10.00
H5   14 1H5' 13   2.870   6.190    10.00    10.00
H5   14 1H2' 13   2.630   2.970    10.00    10.00
H5   14 H1'  13   4.330   6.180    10.00    10.00
H5   14 H5   13   3.860   5.650    10.00    10.00
H5   14 H6   13   3.690   5.870    10.00    10.00
H5   14 H3'  14   2.770   5.970    10.00    10.00
H5   14 H1'  14   2.630   6.680    10.00    10.00
H6   14 H1'  11   3.120   6.270    10.00    10.00
H6   14 1H5' 12   2.550   5.990    10.00    10.00
H6   14 H1'  12   5.960   6.780    10.00    10.00
H6   14 H5   12   3.050   6.420    10.00    10.00
H6   14 H6   12   3.680   6.410    10.00    10.00
H6   14 H1'  13   3.790   6.160    10.00    10.00
H6   14 H5   13   3.030   5.290    10.00    10.00
H6   14 H6   13   3.500   6.010    10.00    10.00
H6   14 1H5' 14   2.740   4.950    10.00    10.00
H6   14 H3'  14   2.280   2.570    10.00    10.00
H6   14 H1'  14   2.480   4.760    10.00    10.00
H1'  15 H1'  14   4.050   5.200    10.00    10.00
H1'  15 1H5' 15   4.190   5.850    10.00    10.00
H8   15 H3'  14   2.600   3.520    10.00    10.00
H8   15 H1'  14   3.070   5.480    10.00    10.00
H8   15 H6   14   3.060   5.700    10.00    10.00
H8   15 1H5' 15   2.440   2.930    10.00    10.00
H8   15 H3'  15   2.540   2.790    10.00    10.00
H8   15 H1'  15   3.180   3.410    10.00    10.00
1H5' 16 H1'  15   4.770   5.950    10.00    10.00
H1'  16 H3'  15   5.180   5.890    10.00    10.00
H1'  16 1H2' 15   3.310   3.490    10.00    10.00
H1'  16 H1'  15   4.850   5.800    10.00    10.00
H5   16 H3'  15   3.370   3.880    10.00    10.00
H5   16 1H2' 15   3.180   4.550    10.00    10.00
H5   16 H1'  15   4.540   5.680    10.00    10.00
H5   16 H8   15   3.680   4.030    10.00    10.00
H5   16 H1'  16   4.720   6.770    10.00    10.00
H6   16 H3'  15   2.890   3.700    10.00    10.00
H6   16 H8   15   3.560   4.870    10.00    10.00
H6   16 1H5' 16   2.930   3.640    10.00    10.00
H6   16 1H2' 16   4.150   6.620    10.00    10.00
H1'  17 H1'  16   4.580   5.350    10.00    10.00
H8   17 1H2' 16   2.060   2.470    10.00    10.00
H8   17 H1'  16   3.630   5.790    10.00    10.00
H8   17 H5   16   4.560   6.660    10.00    10.00
H8   17 1H5' 17   2.450   2.950    10.00    10.00
H8   17 H1'  17   3.390   3.630    10.00    10.00
H1'  18 1H2' 17   3.370   3.610    10.00    10.00
H8   18 H8   17   3.810   4.880    10.00    10.00
H8   18 1H5' 18   2.230   3.740    10.00    10.00
H1'  19 1H2' 18   3.850   4.040    10.00    10.00
H1'  19 1H5' 19   3.530   5.520    10.00    10.00
H1'  19 H4'  19   3.140   3.310    10.00    10.00
H4'  20 1H5' 20   2.070   2.790    10.00    10.00
H5   20 H1'  19   4.670   6.280    10.00    10.00
H5   20 H8   19   4.800   6.430    10.00    10.00
H6   20 H1'  19   4.890   6.230    10.00    10.00
H6   20 H8   19   4.400   5.860    10.00    10.00
H6   20 1H5' 20   4.180   4.780    10.00    10.00
H3'  21 2H5' 21   2.440   3.170    10.00    10.00
H1'  21 1H2' 20   3.740   4.030    10.00    10.00
H1'  21 1H5' 21   3.450   5.600    10.00    10.00
H1'  21 H4'  21   3.050   3.290    10.00    10.00
H8   21 1H2' 19   2.830   3.110    10.00    10.00
H8   21 H1'  19   3.860   4.410    10.00    10.00
H8   21 H8   19   6.050   6.660    10.00    10.00
H8   21 H3'  21   2.790   3.120    10.00    10.00
H8   21 H1'  21   3.310   3.530    10.00    10.00
H3'  22 1H2' 21   3.310   5.570    10.00    10.00
H3'  22 H1'  21   4.000   5.720    10.00    10.00
H1'  22 H3'  21   5.080   5.890    10.00    10.00
H1'  22 1H2' 21   3.380   4.150    10.00    10.00
H1'  22 H1'  21   4.570   5.510    10.00    10.00
H1'  22 H8   21   5.040   6.570    10.00    10.00
H1'  22 1H5' 22   3.590   5.400    10.00    10.00
H1'  22 H4'  22   3.230   3.450    10.00    10.00
H2   22 1H2' 21   5.450   6.500    10.00    10.00
H2   22 H1'  21   4.600   5.030    10.00    10.00
H2   22 1H2' 22   4.300   4.920    10.00    10.00
H2   22 H1'  22   4.400   5.120    10.00    10.00
H8   22 H3'  21   2.670   3.260    10.00    10.00
H8   22 1H2' 21   2.190   2.540    10.00    10.00
H8   22 H1'  21   4.000   6.400    10.00    10.00
H8   22 H8   21   4.090   6.360    10.00    10.00
H8   22 1H5' 22   2.760   5.470    10.00    10.00
H8   22 H4'  22   4.230   6.690    10.00    10.00
H8   22 H3'  22   2.240   2.570    10.00    10.00
H8   22 H1'  22   2.990   3.330    10.00    10.00
H4'  23 H3'  22   2.880   3.670    10.00    10.00
H4'  23 H1'  22   4.050   5.680    10.00    10.00
H4'  23 H8   22   3.800   6.570    10.00    10.00
H1'  23 H3'  22   4.220   5.400    10.00    10.00
H1'  23 H1'  22   4.350   4.930    10.00    10.00
H1'  23 H2   22   4.530   4.930    10.00    10.00
H1'  23 H8   22   3.520   3.840    10.00    10.00
H5   23 H3'  22   4.250   6.340    10.00    10.00
H5   23 H8   22   4.060   6.300    10.00    10.00
H5   23 1H5' 23   3.880   6.410    10.00    10.00
H5   23 H3'  23   4.580   6.850    10.00    10.00
H5   23 H1'  23   4.730   5.570    10.00    10.00
H6   23 H3'  22   2.410   2.670    10.00    10.00
H6   23 H1'  22   3.960   5.830    10.00    10.00
H6   23 H8   22   3.280   6.200    10.00    10.00
H6   23 1H5' 23   2.430   2.660    10.00    10.00
H6   23 H1'  23   3.980   5.210    10.00    10.00
H5   24 1H2' 23   3.720   5.040    10.00    10.00
H5   24 H1'  23   4.640   6.750    10.00    10.00
H5   24 H5   23   4.030   4.310    10.00    10.00
H6   24 H5   23   4.300   5.590    10.00    10.00
H8   25 1H2' 24   1.990   2.350    10.00    10.00
H8   25 H1'  24   3.850   6.430    10.00    10.00
H8   25 H5   24   3.900   5.080    10.00    10.00
H8   25 H6   24   4.430   5.700    10.00    10.00
H8   25 1H5' 25   2.480   2.950    10.00    10.00
H8   25 H1'  25   3.410   3.650    10.00    10.00
1H2' 26 H2   15   4.450   4.800    10.00    10.00
H1'  26 H2   15   4.760   5.510    10.00    10.00
H1'  26 1H2' 25   3.630   5.210    10.00    10.00
H1'  26 1H5' 26   3.320   5.380    10.00    10.00
H5   26 H1'  25   6.110   6.860    10.00    10.00
H5   26 H8   25   3.660   3.970    10.00    10.00
H5   26 1H2' 26   4.540   6.580    10.00    10.00
H5   26 H1'  26   4.550   6.530    10.00    10.00
H6   26 H1'  26   3.110   3.580    10.00    10.00
1H5' 27 H1'  26   4.920   5.340    10.00    10.00
H1'  27 H2   15   3.520   3.730    10.00    10.00
H1'  27 H1'  26   4.730   5.540    10.00    10.00
H1'  27 1H5' 27   3.680   4.760    10.00    10.00
H8   27 H3'  27   2.880   3.050    10.00    10.00
H8   27 H1'  27   3.630   3.940    10.00    10.00
1H5' 28 H1'  27   4.020   5.050    10.00    10.00
2H5' 28 H1'  27   3.920   5.000    10.00    10.00
1H2' 28 H2    8   5.050   6.120    10.00    10.00
H1'  28 H2    8   3.710   3.940    10.00    10.00
H1'  28 H1'   9   4.570   4.980    10.00    10.00
H1'  28 1H5' 28   3.400   4.380    10.00    10.00
H8   28 H2    8   4.460   4.810    10.00    10.00
H8   28 H3'  27   3.590   3.860    10.00    10.00
H8   28 1H2' 27   4.190   4.800    10.00    10.00
H8   28 H1'  27   4.530   5.020    10.00    10.00
H8   28 H8   27   5.430   6.680    10.00    10.00
H8   28 1H5' 28   2.550   2.870    10.00    10.00
H8   28 2H5' 28   3.640   6.380    10.00    10.00
H8   28 1H2' 28   3.010   3.400    10.00    10.00
H8   28 H1'  28   3.380   3.580    10.00    10.00
H1'  29 H1'   8   4.190   4.710    10.00    10.00
H1'  29 1H2' 28   3.830   4.280    10.00    10.00
H1'  29 H1'  28   4.280   4.630    10.00    10.00
H5   29 2H5' 28   4.010   6.150    10.00    10.00
H5   29 1H2' 28   3.620   5.780    10.00    10.00
H5   29 H1'  28   3.930   4.360    10.00    10.00
H5   29 H8   28   4.210   4.930    10.00    10.00
H5   29 H1'  29   4.500   5.700    10.00    10.00
H6   29 1H2' 28   2.160   2.590    10.00    10.00
H6   29 H8   28   4.840   6.450    10.00    10.00
H1'  30 H1'   7   4.470   5.850    10.00    10.00
H1'  30 1H2' 29   3.590   4.730    10.00    10.00
H1'  30 1H5' 30   4.150   5.860    10.00    10.00
H1'  30 H4'  30   2.830   3.020    10.00    10.00
H5   30 H5   29   3.660   3.880    10.00    10.00
H6   30 H1'  30   3.020   3.430    10.00    10.00
1H5' 31 H1'  30   4.050   5.720    10.00    10.00
H1'  31 H1'   6   4.800   5.390    10.00    10.00
H1'  31 2H5' 31   3.430   5.560    10.00    10.00
H5   31 H6   30   3.330   4.170    10.00    10.00
H6   31 H1'  31   3.260   3.440    10.00    10.00
1H2' 32 H2    3   4.690   5.360    10.00    10.00
H1'  32 H2    3   4.650   5.120    10.00    10.00
H1'  32 H4'  32   2.960   3.120    10.00    10.00
H5   32 1H2' 31   3.670   5.610    10.00    10.00
H5   32 H6   31   3.600   4.820    10.00    10.00
H5   32 1H5' 32   3.770   5.420    10.00    10.00
H5   32 H3'  32   4.320   6.350    10.00    10.00
H6   32 1H2' 31   1.960   2.180    10.00    10.00
H6   32 H1'  31   3.600   5.510    10.00    10.00
H6   32 H6   31   2.650   4.070    10.00    10.00
H6   32 1H5' 32   2.200   4.130    10.00    10.00
H6   32 2H5' 32   2.840   3.630    10.00    10.00
H6   32 H4'  32   2.470   2.770    10.00    10.00
H6   32 H3'  32   2.230   2.480    10.00    10.00
H6   32 1H2' 32   2.750   3.260    10.00    10.00
H6   32 H1'  32   3.260   3.750    10.00    10.00
1H2' 33 H2    3   5.120   6.760    10.00    10.00
H1'  33 H1'   3   5.090   5.820    10.00    10.00
H1'  33 H2    3   3.220   3.350    10.00    10.00
H1'  33 1H5' 33   3.600   4.660    10.00    10.00
H1'  33 2H5' 33   3.820   5.660    10.00    10.00
H1'  33 H4'  33   3.060   3.250    10.00    10.00
H5   33 H5   32   4.090   4.410    10.00    10.00
H5   33 H6   32   3.300   3.740    10.00    10.00
H6   33 H2    3   4.740   5.670    10.00    10.00
H6   33 H3'  32   2.770   3.060    10.00    10.00
H6   33 H1'  32   3.630   4.350    10.00    10.00
H6   33 1H5' 33   2.710   3.330    10.00    10.00
H6   33 H4'  33   3.830   5.610    10.00    10.00
H6   33 H1'  33   3.240   3.620    10.00    10.00
1H5' 34 H1'  33   4.780   5.490    10.00    10.00
H4'  34 H1'  33   4.250   5.100    10.00    10.00
H1'  34 H1'   3   4.860   5.580    10.00    10.00
H1'  34 1H2' 33   4.980   5.810    10.00    10.00
H5   34 H3'  33   3.070   3.560    10.00    10.00
H5   34 1H2' 33   3.630   5.450    10.00    10.00
H5   34 H5   33   3.940   4.570    10.00    10.00
H5   34 H6   33   4.180   6.190    10.00    10.00
H5   34 H3'  34   3.770   5.690    10.00    10.00
H5   34 1H2' 34   4.570   5.810    10.00    10.00
H5   34 H1'  34   4.470   6.350    10.00    10.00
H6   34 H3'  33   3.270   4.290    10.00    10.00
H6   34 1H2' 33   2.040   2.590    10.00    10.00
H6   34 H1'  33   3.870   5.730    10.00    10.00
H6   34 H6   33   3.000   4.460    10.00    10.00
H6   34 2H5' 34   2.610   3.470    10.00    10.00
H6   34 1H2' 34   3.550   5.130    10.00    10.00
H6   34 H1'  34   3.380   3.710    10.00    10.00
H1'  11 H1'  14   4.000   7.000    10.00    10.00
H1'  13 H1'  14   3.000   6.000    10.00    10.00
# distances that could not be calculated at 7+8+9 ns
H8    3 H1'   2   1.800   6.000    10.00    10.00
H6   13 H1'  12   1.800   6.000    10.00    10.00
H8   18 H3'  17   1.800   6.000    10.00    10.00
H8   19 1H5' 19   1.800   6.000    10.00    10.00
1H5' 20 H1'  19   1.800   6.000    10.00    10.00
2H5' 20 H8   19   1.800   6.000    10.00    10.00
H6   20 1H2' 19   1.800   6.000    10.00    10.00
H8   21 1H5' 20   1.800   6.000    10.00    10.00
1H5' 23 H1'  22   1.800   6.000    10.00    10.00
H5   30 1H2' 29   1.800   6.000    10.00    10.00
H6   32 H3'  31   1.800   6.000    10.00    10.00
1H5' 20 H8   19   1.800   6.000    10.00    10.00
#
# (2) qualitative restraints involving exchangeable protons
#     observed in the water SSNOESY at 5 oC.
#
H1    2 1H4  33   1.800   6.000    10.00    10.00
H1    2 2H4  33   1.800   6.000    10.00    10.00
H1'   3 H1    2   1.800   6.000    10.00    10.00
H2    3 H1    2   1.800   6.000    10.00    10.00
H2    3 H1    4   1.800   6.000    10.00    10.00
H2    3 H3   32   1.800   6.000    10.00    10.00
H1    4 H1    5   1.800   6.000    10.00    10.00
1H2   4 H1'   5   1.800   6.000    10.00    10.00
2H2   4 H1'   5   1.800   6.000    10.00    10.00
H1    4 2H4  31   1.800   6.000    10.00    10.00
H1    4 H3   32   1.800   6.000    10.00    10.00
1H2   4 H1'  32   1.800   6.000    10.00    10.00
H1'   5 H1    4   1.800   6.000    10.00    10.00
H8    5 H1    4   1.800   6.000    10.00    10.00
H1    5 H3   29   1.800   6.000    10.00    10.00
H1    5 1H4  30   1.800   6.000    10.00    10.00
H1    5 2H4  30   1.800   6.000    10.00    10.00
H1    5 2H4  31   1.800   6.000    10.00    10.00
H1'   6 H1    5   1.800   6.000    10.00    10.00
H2    6 H1    5   1.800   6.000    10.00    10.00
H2    6 H1   28   1.800   6.000    10.00    10.00
H2    6 H3   29   1.800   6.000    10.00    10.00
H1'   7 H1   28   1.800   6.000    10.00    10.00
1H4   7 H1   28   1.800   6.000    10.00    10.00
2H4   7 H1   28   1.800   6.000    10.00    10.00
H5    7 H1   28   1.800   6.000    10.00    10.00
H1'   7 H3   29   1.800   6.000    10.00    10.00
H1'   8 H1   28   1.800   6.000    10.00    10.00
H1'   8 1H2  28   1.800   6.000    10.00    10.00
H1'   8 2H2  28   1.800   6.000    10.00    10.00
H2    8 H1   28   1.800   6.000    10.00    10.00
H8    8 H1   28   1.800   6.000    10.00    10.00
H1'  12 2H4  14   1.800   6.000    10.00    10.00
H5   13 1H4  14   1.800   6.000    10.00    10.00
H5   13 2H4  14   1.800   6.000    10.00    10.00
1H4  14 H3   26   1.800   6.000    10.00    10.00
2H4  14 H3   26   1.800   6.000    10.00    10.00
1H4  14 H1   27   1.800   6.000    10.00    10.00
2H4  14 H1   27   1.800   6.000    10.00    10.00
1H2' 15 H1   25   1.800   6.000    10.00    10.00
1H2' 15 H3   26   1.800   6.000    10.00    10.00
H2   15 H3   26   1.800   6.000    10.00    10.00
H2   15 H1   27   1.800   6.000    10.00    10.00
H8   15 H1   27   1.800   6.000    10.00    10.00
1H2' 16 H1   25   1.800   6.000    10.00    10.00
1H4  16 H1   25   1.800   6.000    10.00    10.00
2H4  16 H1   25   1.800   6.000    10.00    10.00
H5   16 H1   25   1.800   6.000    10.00    10.00
1H4  16 H3   26   1.800   6.000    10.00    10.00
2H4  16 H3   26   1.800   6.000    10.00    10.00
H5   16 H3   26   1.800   6.000    10.00    10.00
1H2' 17 H1   17   1.800   6.000    10.00    10.00
H1   17 H1   18   1.800   6.000    10.00    10.00
H1   17 1H4  23   1.800   6.000    10.00    10.00
H1   17 1H4  24   1.800   6.000    10.00    10.00
H1   17 2H4  24   1.800   6.000    10.00    10.00
H1   17 H1   25   1.800   6.000    10.00    10.00
H1'  17 H1   25   1.800   6.000    10.00    10.00
H8   17 H1   25   1.800   6.000    10.00    10.00
H1   18 H1   19   1.800   6.000    10.00    10.00
H1   18 1H4  23   1.800   6.000    10.00    10.00
H1   18 2H4  23   1.800   6.000    10.00    10.00
H1   18 1H4  24   1.800   6.000    10.00    10.00
H1   18 2H4  24   1.800   6.000    10.00    10.00
H1   18 H6   24   1.800   6.000    10.00    10.00
H1'  19 H1   18   1.800   6.000    10.00    10.00
H1'  19 2H2  19   1.800   6.000    10.00    10.00
2H2  19 H1   19   1.800   6.000    10.00    10.00
H1   19 H8   21   1.800   6.000    10.00    10.00
H1   19 H8   22   1.800   6.000    10.00    10.00
H1   19 1H4  23   1.800   6.000    10.00    10.00
H1   19 2H4  23   1.800   6.000    10.00    10.00
H1   19 H5   23   1.800   6.000    10.00    10.00
H1   19 H6   23   1.800   6.000    10.00    10.00
1H2' 21 H1   19   1.800   6.000    10.00    10.00
1H5' 21 H1   19   1.800   6.000    10.00    10.00
2H5' 21 H1   19   1.800   6.000    10.00    10.00
H3'  21 H1   19   1.800   6.000    10.00    10.00
1H2' 23 H1   18   1.800   6.000    10.00    10.00
H1'  23 H1   18   1.800   6.000    10.00    10.00
H6   23 H1   18   1.800   6.000    10.00    10.00
H1'  23 H1   19   1.800   6.000    10.00    10.00
1H4  23 1H4  24   1.800   6.000    10.00    10.00
1H4  23 2H4  24   1.800   6.000    10.00    10.00
1H2' 24 H1   17   1.800   6.000    10.00    10.00
H1'  24 H1   17   1.800   6.000    10.00    10.00
H1'  24 H1   18   1.800   6.000    10.00    10.00
H5   24 H1   18   1.800   6.000    10.00    10.00
H5   24 1H4  23   1.800   6.000    10.00    10.00
H1   25 H2   15   1.800   6.000    10.00    10.00
H8   25 H1   17   1.800   6.000    10.00    10.00
1H2  25 H1   25   1.800   6.000    10.00    10.00
H1   25 H3   26   1.800   6.000    10.00    10.00
H5   26 H1   25   1.800   6.000    10.00    10.00
1H2' 26 H3   26   1.800   6.000    10.00    10.00
H1'  26 H3   26   1.800   6.000    10.00    10.00
H5   26 H3   26   1.800   6.000    10.00    10.00
H3   26 H1   27   1.800   6.000    10.00    10.00
H1'  27 H3   26   1.800   6.000    10.00    10.00
H1   28 H3   29   1.800   6.000    10.00    10.00
2H2  28 H1'  29   1.800   6.000    10.00    10.00
H1'  29 H1   28   1.800   6.000    10.00    10.00
H3   29 1H4  30   1.800   6.000    10.00    10.00
2H4  30 H1    4   1.800   6.000    10.00    10.00
H5   30 H1    5   1.800   6.000    10.00    10.00
2H4  30 H3   29   1.800   6.000    10.00    10.00
H5   30 H3   29   1.800   6.000    10.00    10.00
1H4  31 H1    4   1.800   6.000    10.00    10.00
H6   31 H1    4   1.800   6.000    10.00    10.00
H1'  31 H1    5   1.800   6.000    10.00    10.00
H5   31 H1    5   1.800   6.000    10.00    10.00
1H4  31 H3   32   1.800   6.000    10.00    10.00
H3   32 H1    2   1.800   6.000    10.00    10.00
1H2' 32 H1    4   1.800   6.000    10.00    10.00
H1'  32 H1    4   1.800   6.000    10.00    10.00
H3   32 1H2   4   1.800   6.000    10.00    10.00
H5   32 H1    4   1.800   6.000    10.00    10.00
H6   32 H1    4   1.800   6.000    10.00    10.00
1H2' 32 H3   32   1.800   6.000    10.00    10.00
H3   32 1H4  33   1.800   6.000    10.00    10.00
1H2' 33 H1    2   1.800   6.000    10.00    10.00
H1'  33 H1    2   1.800   6.000    10.00    10.00
2H4  33 H3   32   1.800   6.000    10.00    10.00
2H4  33 H5   34   1.800   6.000    10.00    10.00
H5   34 H1    2   1.800   6.000    10.00    10.00
H5   23 2H4  24   1.800   5.000    10.00    10.00
#
#
# (2a) Hydrogen bond restraints used in the refinement
#
# Watson-Crick Hbonds
N2    1 O2   34   2.800   3.000    20.00    20.00   G1-C34
N1    1 N3   34   2.800   3.000    20.00    20.00
O6    1 N4   34   2.800   3.000    20.00    20.00
1H2   1 O2   34   1.700   1.900    20.00    20.00
H1    1 N3   34   1.700   1.900    20.00    20.00
O6    1 1H4  34   1.700   1.900    20.00    20.00
N2    2 O2   33   2.800   3.000    20.00    20.00   G2-C33
N1    2 N3   33   2.800   3.000    20.00    20.00
O6    2 N4   33   2.800   3.000    20.00    20.00
1H2   2 O2   33   1.700   1.900    20.00    20.00
H1    2 N3   33   1.700   1.900    20.00    20.00
O6    2 1H4  33   1.700   1.900    20.00    20.00
N1    3 N3   32   2.800   3.000    10.00    10.00   A3-U32
N6    3 O4   32   2.800   3.000    10.00    10.00
N1    3 H3   32   1.700   1.900    10.00    10.00
1H6   3 O4   32   1.700   1.900    10.00    10.00
N2    4 O2   31   2.800   3.000    20.00    20.00   G4-C31
N1    4 N3   31   2.800   3.000    20.00    20.00
O6    4 N4   31   2.800   3.000    20.00    20.00
1H2   4 O2   31   1.700   1.900    20.00    20.00
H1    4 N3   31   1.700   1.900    20.00    20.00
O6    4 1H4  31   1.700   1.900    20.00    20.00
N2    5 O2   30   2.800   3.000    20.00    20.00   G5-C30
N1    5 N3   30   2.800   3.000    20.00    20.00
O6    5 N4   30   2.800   3.000    20.00    20.00
1H2   5 O2   30   1.700   1.900    20.00    20.00
H1    5 N3   30   1.700   1.900    20.00    20.00
O6    5 1H4  30   1.700   1.900    20.00    20.00
N1    6 N3   29   2.800   3.000    10.00    10.00   A6-U29
N6    6 O4   29   2.800   3.000    10.00    10.00
N1    6 H3   29   1.700   1.900    10.00    10.00
1H6   6 O4   29   1.700   1.900    10.00    10.00
N2   28 O2    7   2.800   3.000    20.00    20.00   G28-C7
N1   28 N3    7   2.800   3.000    20.00    20.00
O6   28 N4    7   2.800   3.000    20.00    20.00
1H2  28 O2    7   1.700   1.900    20.00    20.00
H1   28 N3    7   1.700   1.900    20.00    20.00
O6   28 1H4   7   1.700   1.900    20.00    20.00
N2   27 O2   14   2.800   3.000    20.00    20.00   G27-C14
N1   27 N3   14   2.800   3.000    20.00    20.00
O6   27 N4   14   2.800   3.000    20.00    20.00
1H2  27 O2   14   1.700   1.900    20.00    20.00
H1   27 N3   14   1.700   1.900    20.00    20.00
O6   27 1H4  14   1.700   1.900    20.00    20.00
N1   15 N3   26   2.800   3.000    10.00    10.00   A15-U26
N6   15 O4   26   2.800   3.000    10.00    10.00
N1   15 H3   26   1.700   1.900    10.00    10.00
1H6  15 O4   26   1.700   1.900    10.00    10.00
N2   25 O2   16   2.800   3.000    20.00    20.00   G25-C16
N1   25 N3   16   2.800   3.000    20.00    20.00
O6   25 N4   16   2.800   3.000    20.00    20.00
1H2  25 O2   16   1.700   1.900    20.00    20.00
H1   25 N3   16   1.700   1.900    20.00    20.00
O6   25 1H4  16   1.700   1.900    20.00    20.00
N2   17 O2   24   2.800   3.000    20.00    20.00   G17-C24
N1   17 N3   24   2.800   3.000    20.00    20.00
O6   17 N4   24   2.800   3.000    20.00    20.00
1H2  17 O2   24   1.700   1.900    20.00    20.00
H1   17 N3   24   1.700   1.900    20.00    20.00
O6   17 1H4  24   1.700   1.900    20.00    20.00
N2   18 O2   23   2.800   3.000    20.00    20.00   G18-C23
N1   18 N3   23   2.800   3.000    20.00    20.00
O6   18 N4   23   2.800   3.000    20.00    20.00
1H2  18 O2   23   1.700   1.900    20.00    20.00
H1   18 N3   23   1.700   1.900    20.00    20.00
O6   18 1H4  23   1.700   1.900    20.00    20.00
# GNRA hydrogen bonds
N2   19 N7   22   2.700   3.100    30.00    30.00  --- G19:A22
N2   19 O2P  22   2.700   3.100    30.00    30.00
N1   19 O2P  22   2.700   3.100    30.00    30.00
O2'  19 N7   21   2.700   3.100    30.00    30.00
#
# (3)  "Non-NOE" distance restraints
#
# The corresponding cross-peaks are not observed
# in any of the NOESY data sets
#
H8    1 1H5' 25   6.000  50.000    50.00    50.00
H8    1 2H5' 25   6.000  50.000    50.00    50.00
H8    1 H3'  25   5.000  50.000    50.00    50.00
H2    8 H5   12   6.000  50.000    50.00    50.00
H1'  12 H1'  14   6.000  50.000    50.00    50.00
H3'  12 H5   14   6.000  50.000    50.00    50.00
H5   12 2H5' 28   6.000  50.000    50.00    50.00
H5   12 H8   28   6.000  50.000    50.00    50.00
H3'  27 H3'  28   6.000  50.000    50.00    50.00
H3'  27 1H5' 28   6.000  50.000    50.00    50.00
H3'  27 H5   29   6.000  50.000    50.00    50.00
H3'  27 H6   29   6.000  50.000    50.00    50.00
H3'  27 H5   30   6.000  50.000    50.00    50.00
H1'   8 H6   10   6.000  50.000    50.00    50.00
1H2'  8 H5   10   4.000  50.000    50.00    50.00
H2    8 H1'  12   6.000  50.000    50.00    50.00
H1'  11 1H2' 12   5.000  50.000    50.00    50.00
1H2' 11 H5   13   4.000  50.000    50.00    50.00
1H2' 11 H6   13   4.000  50.000    50.00    50.00
H3'  11 H5   13   5.000  50.000    50.00    50.00
H3'  11 H6   13   4.000  50.000    50.00    50.00
H5   12 1H5' 28   5.000  50.000    50.00    50.00
H6   12 1H5' 28   6.000  50.000    50.00    50.00
1H2'  9 H5   11   5.000  50.000    50.00    50.00
1H5'  9 H5   11   6.000  50.000    50.00    50.00
1H5'  9 H6   11   6.000  50.000    50.00    50.00
H3'   9 H5   11   6.000  50.000    50.00    50.00
H5    9 H5   11   6.000  50.000    50.00    50.00
H6    9 H5   11   6.000  50.000    50.00    50.00
1H2' 10 H5   12   6.000  50.000    50.00    50.00
H6   10 H5   12   6.000  50.000    50.00    50.00
H1'  10 H1   27   6.000  50.000    50.00    50.00
H5   10 1H2' 27   5.000  50.000    50.00    50.00
H6   10 1H2' 27   6.000  50.000    50.00    50.00
H1'  13 H8   15   6.000  50.000    50.00    50.00
H2   15 1H5' 28   5.000  50.000    50.00    50.00
H1'  16 1H5' 28   6.000  50.000    50.00    50.00
H2    8 1H2' 27   6.000  50.000    50.00    50.00
H2    8 H3'  27   6.000  50.000    50.00    50.00
H2    8 1H5' 27   6.000  50.000    50.00    50.00
H2    8 2H5' 27   6.000  50.000    50.00    50.00
H1'   9 H1   27   6.000  50.000    50.00    50.00
H1'   9 H8   27   6.000  50.000    50.00    50.00
H1'   9 H1   28   6.000  50.000    50.00    50.00
H1'  12 H3'  14   6.000  50.000    50.00    50.00
H5   12 H5   14   5.000  50.000    50.00    50.00
H5   12 H8   15   6.000  50.000    50.00    50.00
H4'   1 H5   20   6.000 150.000    50.00    50.00
H2    8 1H5' 10   6.000  50.000    50.00    50.00
1H5' 10 H1'  28   6.000  50.000    50.00    50.00
H1'  13 1H4  14   5.000  50.000    50.00    50.00
H1'  13 2H4  14   5.000  50.000    50.00    50.00
H1'  13 1H5' 14   3.000  50.000    50.00    50.00
H1'   1 H4'  17   6.000 150.000    50.00    50.00
H4'   1 H1'  17   6.000 150.000    50.00    50.00
H1'   1 1H5' 18   6.000 150.000    50.00    50.00
1H5'  2 H1'  17   6.000 150.000    50.00    50.00
1H5'  2 H1'  26   6.000 150.000    50.00    50.00
H2    8 H5   11   6.000  50.000    50.00    50.00
H6   10 1H2' 11   6.000  50.000    50.00    50.00
H1'  11 H1   27   5.000  50.000    50.00    50.00
H1'  17 H1'  26   4.000  50.000    50.00    50.00
H1'  13 2H4  24   5.000  50.000    50.00    50.00
H1'  13 H5   24   5.000  50.000    50.00    50.00
H1'  13 H5   23   5.000  50.000    50.00    50.00
O2   13 2H4  24   3.000  50.000    50.00    50.00
1H2' 13 H5   23   5.000  50.000    50.00    50.00
1H2'  9 H1'  28   6.000  50.000    50.00    50.00
H4'   9 H1'  28   4.000  50.000    50.00    50.00
H6   12 H1'  28   4.000  50.000    50.00    50.00
H5   12 H1'  28   4.000  50.000    50.00    50.00
H1'  10 H1'  27   5.000  50.000    50.00    50.00
1H2' 10 H1'  27   6.000  50.000    50.00    50.00
#
# (4)  Integrated intensities of cross-peaks in the 200-ms
#       D2O NOESY dataset.
#
# 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 15%. The intensities
# below are not normalized.
# The "non-NOE's" were arbitrarily assigned a small intensity of 1.000e+01
#
HEADER prepared from tf10u_200ms_dec20_02.mardilist by mardi.in   Fri Dec 20 22:02:24 2002
MIXING TIME: 0.2
ATOM1   ATOM2   INTENSITY   ERROR    Note    
1H2'  1 H4'   1   2.301e+07   30.8
1H2'  1 H8    1   3.823e+07   15.0
H1'   1 1H2'  1   6.534e+07   15.0
H1'   1 H8    1   2.255e+07   15.0
H3'   1 1H2'  1   1.036e+08   15.0
H3'   1 H8    1   3.356e+07   15.0
H4'   1 H8    1   1.591e+07   15.0
1H2'  1 H1'   2   8.955e+06   23.7
1H2'  1 H8    2   6.305e+07   15.0
H1'   1 H8    2   2.346e+07   15.0
H3'   1 H8    2   3.166e+07   15.0
H8    1 H8    2   8.400e+06   15.0
H3'   2 1H2'  1   4.106e+06   15.0
1H2'  2 H8    2   6.944e+06   15.0
2H5'  2 H1'   2   7.920e+06   15.0
H1'   2 1H2'  2   5.320e+07   15.0
H1'   2 H3'   2   1.668e+07   44.9
H1'   2 H8    2   1.617e+07   16.0
H4'   2 H1'   2   2.488e+07   15.0
H1'   2 H8    3   1.129e+07   15.0
H8    2 H8    3   4.006e+06   35.9
1H5'  3 H1'   2   3.114e+06   15.0
1H2'  3 H2    3   4.162e+06   15.0
1H5'  3 H1'   3   6.671e+06   15.0
H1'   3 1H2'  3   6.089e+07   15.0
H1'   3 H2    3   4.589e+06   15.0
H1'   3 H4'   3   2.102e+07   17.8
H1'   3 H8    3   1.658e+07   15.0
1H2'  3 H1'   4   1.294e+07   15.0
1H2'  3 H8    4   6.695e+07   15.0
H1'   3 H1'   4   3.144e+06   15.4
H1'   3 H8    4   1.161e+07   15.0
H2    3 1H2'  4   2.824e+06   32.5
H2    3 H1'   4   2.971e+07   15.0
H2    3 H8    4   3.702e+06   21.7
H3'   3 H8    4   2.083e+07   15.0
H8    3 H8    4   4.862e+06   15.0
H2    3 1H2' 32   2.223e+06   37.3
H2    3 H1'  32   2.764e+06   15.0
H1'   3 H1'  33   1.001e+06   15.0
H2    3 1H2' 33   2.385e+06   15.0
H2    3 H1'  33   2.627e+07   15.0
H2    3 H6   33   1.787e+06   23.5
1H5'  4 H1'   3   2.081e+06   15.0
1H2'  4 H8    4   1.375e+07   15.0
1H5'  4 H8    4   2.431e+07   15.0
H1'   4 1H2'  4   5.959e+07   15.0
H1'   4 H8    4   1.591e+07   15.0
H3'   4 H1'   4   2.648e+07   15.0
H4'   4 H1'   4   2.887e+07   15.0
H4'   4 H8    4   1.916e+07   15.0
H1'   4 H8    5   1.230e+07   15.0
H3'   4 H8    5   3.262e+07   15.0
H8    4 H8    5   3.527e+06   15.0
1H5'  5 H8    5   2.742e+07   15.0
H1'   5 H8    5   1.456e+07   15.0
1H2'  5 H1'   6   9.754e+06   15.8
H1'   5 H1'   6   3.232e+06   15.0
H1'   5 H8    6   1.673e+07   15.0
H8    5 H8    6   4.861e+06   15.0
1H5'  6 H1'   6   6.725e+06   15.0
H1'   6 H2    6   3.883e+06   15.0
H1'   6 H8    6   1.110e+07   15.0
H4'   6 H1'   6   2.494e+07   15.0
1H2'  6 H1'   7   1.387e+07   15.0
H1'   6 H1'   7   4.202e+06   15.0
H1'   6 H5    7   4.346e+06   15.0
H1'   6 H6    7   1.169e+07   15.0
H2    6 H1'   7   3.418e+07   15.0
H8    6 H5    7   9.688e+06   15.0
H1'   6 H1'  31   2.073e+06   15.0
1H5'  7 H1'   6   2.236e+06   15.0
H3'   7 H1'   6   2.147e+06   15.0
H4'   7 H1'   6   3.085e+06   15.0
H6    7 H2    6   3.399e+06   15.0
H6    7 H8    6   5.623e+06   15.0
1H2'  7 H5    7   6.797e+06   18.5
1H2'  7 H6    7   2.632e+07   15.0
1H5'  7 H1'   7   9.789e+06   15.0
2H5'  7 H5    7   1.638e+06   15.0
2H5'  7 H6    7   3.018e+06   15.0
H1'   7 1H2'  7   6.840e+07   15.0
H1'   7 H3'   7   1.982e+07   15.0
H1'   7 H4'   7   2.311e+07   28.0
H1'   7 H6    7   1.519e+07   15.0
H3'   7 H5    7   1.331e+07   15.0
H3'   7 H6    7   4.374e+07   15.0
H4'   7 H5    7   4.088e+06   15.0
H4'   7 H6    7   1.549e+07   15.0
H5    7 1H5'  7   5.080e+06   15.0
H5    7 H1'   7   5.286e+06   15.0
H5    7 H6    7   7.966e+07   15.0
H1'   7 H1'   8   3.971e+06   15.0
H1'   7 H8    8   1.264e+07   15.0
H6    7 H8    8   9.375e+06   15.0
H1'   7 H1'  30   3.152e+06   15.0
H1'   8 1H2'  7   1.472e+07   15.0
1H2'  8 H2    8   4.286e+06   15.0
1H5'  8 H1'   8   9.409e+06   15.0
1H5'  8 H8    8   2.456e+07   15.0
H1'   8 1H2'  8   7.529e+07   15.0
H1'   8 H2    8   5.318e+06   15.0
1H2'  8 H1'   9   1.015e+07   28.3
1H2'  8 H5    9   1.398e+07   15.0
1H2'  8 H6    9   4.726e+07   15.0
H1'   8 H5    9   4.035e+06   15.0
H1'   8 H6    9   1.028e+07   15.0
H2    8 H1'   9   2.439e+07   15.0
H2    8 H5    9   1.381e+06   15.0
H8    8 H5    9   8.774e+06   15.0
H8    8 H6    9   6.511e+06   15.0
H2    8 H5   10   1.589e+06   15.0
H2    8 H1'  28   1.147e+07   15.0
H2    8 H8   28   3.863e+06   15.0
H5    9 1H2'  7   2.917e+06   15.0
H6    9 1H2'  7   2.808e+06   15.0
1H5'  9 H1'   8   2.794e+06   15.0
H1'   9 H1'   8   3.607e+06   15.0
H4'   9 H2    8   1.546e+06   15.0
H5    9 H3'   8   2.692e+07   15.0
1H2'  9 H5    9   1.583e+07   15.0
1H2'  9 H6    9   7.380e+07   15.0
1H5'  9 H6    9   1.345e+07   15.0
H1'   9 1H2'  9   5.555e+07   15.0
H1'   9 1H5'  9   5.489e+06   60.8
H1'   9 H4'   9   2.438e+07   25.9
H1'   9 H5    9   6.419e+06   57.3
H1'   9 H6    9   1.920e+07   15.0
H3'   9 H1'   9   1.893e+07   15.0
H5    9 1H5'  9   2.557e+06   28.7
H5    9 H6    9   1.012e+08   15.0
H6    9 H3'   9   4.940e+07   15.0
1H2'  9 H6   10   1.080e+07   15.0
H1'   9 H5   10   6.183e+06   68.7
H1'   9 H6   10   4.033e+06   15.0
H3'   9 H6   10   1.084e+07   28.2
H4'   9 H6   10   5.224e+06   15.0
H6    9 H5   10   2.385e+06   15.0
H6    9 H6   10   3.268e+06   15.0
H1'   9 H5   11   2.920e+06   15.0 ???
H1'   9 H1'  28   2.848e+06   15.0
H5   10 H5    9   2.122e+06   15.0
1H2' 10 H1'  10   8.582e+07   15.0
1H2' 10 H5   10   1.091e+07   37.4
1H2' 10 H6   10   9.292e+07   15.0
1H5' 10 H1'  10   3.882e+06   15.0
1H5' 10 H6   10   1.532e+07   15.0
H1'  10 H6   10   2.924e+07   15.0
H3'  10 H6   10   3.184e+07   15.0
H5   10 H6   10   1.155e+08   15.0
1H2' 10 H5   11   9.343e+06   30.3
1H2' 10 H6   11   2.456e+07   15.0
1H5' 10 H5   11   3.921e+06   15.0
1H5' 10 H6   11   3.002e+06   15.0
H3'  10 H5   11   1.728e+07   15.0
H5   10 H5   11   4.566e+06   15.0
H6   10 H5   11   4.789e+06   15.0
1H2' 11 H5   11   1.086e+07   18.7
1H2' 11 H6   11   8.685e+07   15.0
H1'  11 H6   11   3.765e+07   15.0
H3'  11 H5   11   4.108e+06   15.0
H5   11 H6   11   1.082e+08   15.0
1H2' 11 H5   12   1.591e+07   15.2
H1'  11 H6   12   5.437e+06   15.0
H3'  11 H5   12   9.306e+06   38.8
H6   11 H5   12   4.452e+06   15.0
1H2' 11 H1'  14   3.812e+06   15.0
H1'  11 H5   14   2.124e+06   15.0
1H5' 12 H1'  11   1.074e+07   15.0
1H2' 12 H6   12   6.203e+07   15.0
1H5' 12 H1'  12   8.246e+06   15.0
1H5' 12 H5   12   8.144e+06   15.0
H5   12 H6   12   1.207e+08   15.0
1H5' 12 H5   13   2.131e+06   15.0
H6   12 H5   13   3.786e+06   15.0
1H5' 12 H1'  14   1.232e+07   15.0
1H5' 12 H6   14   2.504e+06   15.0
H1'  12 H5   14   1.442e+07   15.0
H1'  12 H6   14   3.737e+06   15.0
H6   12 H1'  14   5.325e+06   15.0
H6   12 H5   14   2.144e+06   15.1
H6   12 H6   14   3.371e+06   15.0
H6   13 H1'  12   4.066e+06   15.0
1H2' 13 H5   13   1.582e+07   15.0
1H5' 13 H1'  13   6.931e+06   15.0
1H5' 13 H5   13   2.349e+06   15.0
H1'  13 H4'  13   2.593e+07   15.4
1H2' 13 H5   14   3.126e+07   16.4
1H5' 13 H5   14   1.034e+07   15.0
H1'  13 H5   14   4.658e+06   46.6
H1'  13 H6   14   6.610e+06   15.0
H5   13 H5   14   6.324e+06   40.4
H5   13 H6   14   4.675e+06   15.0
H6   13 H5   14   7.691e+06   15.0
H6   13 H6   14   8.633e+06   15.0
H6   14 H1'  11   1.006e+06   15.0
H1'  14 H5   12   2.164e+06   15.0
H6   14 H5   12   7.884e+05   15.0 INT??
1H5' 14 H6   14   7.101e+06   15.0
H1'  14 1H2' 14   5.894e+07   15.0
H1'  14 H5   14   6.183e+06   15.0
H1'  14 H6   14   2.377e+07   15.0
H3'  14 H1'  14   2.589e+07   15.0
H3'  14 H5   14   1.496e+07   15.0
H3'  14 H6   14   5.195e+07   15.0
H5   14 H6   14   1.056e+08   15.0
H1'  14 H1'  15   3.820e+06   15.0
H1'  14 H8   15   2.108e+07   15.0
H3'  14 H8   15   3.490e+07   15.0
H6   14 H8   15   9.322e+06   15.0
1H5' 15 H1'  15   6.643e+06   15.0
1H5' 15 H8   15   1.764e+07   15.0
2H5' 15 H8   15   8.258e+06   15.0
H1'  15 H8   15   1.939e+07   15.0
H3'  15 H1'  15   2.407e+07   15.0
H3'  15 H8   15   3.830e+07   15.0
1H2' 15 H1'  16   1.710e+07   15.0
1H2' 15 H5   16   2.877e+07   20.5
H1'  15 H1'  16   3.128e+06   15.0
H1'  15 H5   16   5.696e+06   15.0
H3'  15 H1'  16   3.501e+06   15.0
H3'  15 H5   16   1.917e+07   15.0
H3'  15 H6   16   3.092e+07   15.0
H8   15 H5   16   8.664e+06   15.0
H8   15 H6   16   8.280e+06   26.4
H2   15 1H2' 26   3.605e+06   15.0
H2   15 H1'  26   2.470e+06   15.0
H2   15 H1'  27   1.564e+07   21.0
1H5' 16 H1'  15   1.605e+06   15.0
1H2' 16 H6   16   1.543e+07   19.5
1H5' 16 H6   16   1.329e+07   15.0
H1'  16 1H2' 16   5.765e+07   15.0
H1'  16 H5   16   4.617e+06   34.5
H5   16 H6   16   8.036e+07   15.0
1H2' 16 H8   17   9.009e+07   15.0
H1'  16 H1'  17   3.341e+06   15.0
H1'  16 H8   17   1.914e+07   15.0
H5   16 H8   17   3.370e+06   15.0
1H5' 17 H8   17   1.875e+07   20.4
H1'  17 H8   17   1.543e+07   15.0
H3'  17 H1'  17   2.302e+07   15.0
1H2' 17 H1'  18   1.489e+07   15.0
H3'  17 H8   18   2.403e+07   15.0
H8   17 H8   18   5.397e+06   15.0
1H5' 18 H8   18   2.215e+07   15.0
1H2' 18 H1'  19   7.630e+06   15.0
1H5' 19 H1'  19   9.941e+06   15.0
1H5' 19 H8   19   1.425e+07   15.0
H4'  19 H1'  19   2.291e+07   15.0
1H2' 19 H6   20   6.496e+06   15.0
H8   19 H5   20   2.711e+06   15.0
H8   19 H6   20   2.300e+06   15.0
1H2' 19 H8   21   2.302e+07   15.0
H1'  19 H8   21   9.262e+06   15.0
H8   19 H8   21   1.267e+06   19.3
1H5' 20 H1'  19   1.797e+06   15.0
1H5' 20 H8   19   9.454e+05   15.0
2H5' 20 H8   19   1.270e+06   15.0
H5   20 H1'  19   4.190e+06   15.0
H6   20 H1'  19   2.846e+06   15.0
1H5' 20 H6   20   1.311e+07   15.0
H4'  20 1H5' 20   6.571e+07   57.9
1H2' 20 H1'  21   8.524e+06   27.8
1H5' 20 H8   21   6.758e+06   15.0
1H5' 21 H1'  21   8.442e+06   15.0
2H5' 21 H1'  21   5.590e+06   15.0
H1'  21 1H2' 21   5.830e+07   15.0
H1'  21 H4'  21   2.462e+07   15.0
H1'  21 H8   21   1.889e+07   15.0
H3'  21 1H2' 21   7.251e+07   15.0
H3'  21 2H5' 21   3.028e+07   15.0
H3'  21 H1'  21   2.040e+07   15.0
H3'  21 H8   21   2.950e+07   15.0
1H2' 21 H1'  22   1.054e+07   15.0
1H2' 21 H2   22   4.448e+05   15.0
1H2' 21 H3'  22   1.318e+07   26.3
1H2' 21 H8   22   7.570e+07   15.0
H1'  21 H1'  22   3.405e+06   15.0
H1'  21 H2   22   2.816e+06   35.3
H1'  21 H8   22   1.373e+07   15.0
H3'  21 H1'  22   2.365e+06   15.0
H3'  21 H8   22   3.632e+07   15.0
H8   21 H1'  22   1.000e+06   29.0
H8   21 H8   22   6.983e+06   15.0
H3'  22 H1'  21   2.461e+06   15.0
1H2' 22 H2   22   3.237e+06   15.0
1H5' 22 H1'  22   7.584e+06   15.0
1H5' 22 H8   22   1.644e+07   15.0
H1'  22 1H2' 22   7.529e+07   15.0
H1'  22 H2   22   3.805e+06   38.5
H1'  22 H3'  22   2.068e+07   15.0
H1'  22 H4'  22   1.830e+07   15.0 Pk1: H4' splitted
H1'  22 H8   22   2.244e+07   15.0
H3'  22 H4'  22   3.417e+07   34.4
H3'  22 H8   22   5.565e+07   15.0
H4'  22 H8   22   9.554e+06   15.0
H1'  22 H1'  23   4.562e+06   15.0
H1'  22 H4'  23   7.799e+06   29.5
H1'  22 H6   23   3.294e+06   46.8
H3'  22 1H5' 23   4.152e+06   72.9
H3'  22 H1'  23   4.916e+06   15.0
H3'  22 H4'  23   1.636e+07   37.7
H3'  22 H5   23   1.072e+07   15.0
H3'  22 H6   23   3.492e+07   15.0
H8   22 H1'  23   9.021e+06   15.0
H8   22 H5   23   3.954e+06   15.0
H8   22 H6   23   9.868e+06   15.0
1H5' 23 H1'  22   2.146e+06   15.0
H1'  23 H2   22   3.440e+06   15.0
H4'  23 H8   22   6.102e+06   15.0
1H2' 23 H5   23   2.111e+06   15.0
1H5' 23 H5   23   9.242e+06   15.0
1H5' 23 H6   23   4.091e+07   15.0
H1'  23 H5   23   2.548e+06   15.0
H1'  23 H6   23   7.200e+06   35.0
H3'  23 H5   23   1.310e+07   15.0
H5   23 H6   23   8.676e+07   15.0
1H2' 23 H5   24   2.522e+07   19.7
H1'  23 H5   24   1.820e+06   51.8
H5   23 H5   24   6.852e+06   15.0
H5   23 H6   24   2.079e+06   18.3
H1'  24 1H2' 24   6.289e+07   15.0
H5   24 H6   24   7.735e+07   15.0
1H2' 24 H8   25   1.057e+08   15.0
H1'  24 H8   25   1.976e+07   15.0
H5   24 H8   25   3.286e+06   15.0
H6   24 H8   25   6.209e+06   15.0
1H5' 25 H8   25   1.718e+07   15.0
H1'  25 H8   25   1.490e+07   15.0
1H2' 25 H1'  26   1.103e+07   15.0
H1'  25 H5   26   4.813e+06   20.6
H8   25 H5   26   8.384e+06   16.5
1H2' 26 H5   26   5.460e+06   15.9
1H5' 26 H1'  26   9.999e+06   15.0
1H5' 26 H5   26   5.203e+06   15.0
H1'  26 1H2' 26   6.505e+07   16.1
H1'  26 H5   26   5.682e+06   15.0
H1'  26 H6   26   1.565e+07   15.0
H3'  26 H1'  26   2.763e+07   15.0
H5   26 H6   26   7.809e+07   15.0
H1'  26 H1'  27   2.641e+06   15.0
1H5' 27 H1'  26   3.663e+06   15.0
1H5' 27 H1'  27   8.476e+06   15.0
2H5' 27 H1'  27   4.364e+06   15.0
H1'  27 1H2' 27   5.325e+07   15.0
H1'  27 H8   27   1.677e+07   15.0
H3'  27 H1'  27   1.874e+07   15.0
H3'  27 H8   27   3.924e+07   15.0
1H2' 27 H8   28   5.324e+06   15.0
H1'  27 H8   28   3.734e+06   15.0
H3'  27 H8   28   7.871e+06   15.0
H8   27 H8   28   1.388e+06   15.0
1H2' 28 H2    8   1.866e+06   15.0
1H5' 28 H1'  27   2.540e+06   15.0
2H5' 28 H1'  27   2.649e+06   15.0
1H2' 28 H8   28   2.382e+07   15.0
1H5' 28 H1'  28   9.219e+06   15.0
1H5' 28 H8   28   3.309e+07   15.0
2H5' 28 H8   28   2.128e+07   15.0
H1'  28 H8   28   1.983e+07   15.0
1H2' 28 H1'  29   8.120e+06   15.0
1H2' 28 H5   29   2.736e+07   15.0
1H2' 28 H6   29   6.490e+07   15.0
2H5' 28 H5   29   5.651e+06   15.0
H1'  28 H5   29   9.430e+06   15.0
H8   28 H5   29   7.919e+06   15.0
H8   28 H6   29   5.988e+06   18.2
H1'  29 H1'   8   2.749e+06   15.0
H1'  29 H1'  28   4.746e+06   15.0
H1'  29 1H2' 29   5.636e+07   16.2
H1'  29 H5   29   5.113e+06   15.0
H5   29 H6   29   8.106e+07   15.0 Pk1: two_peaks
1H2' 29 H1'  30   9.126e+06   49.8
1H2' 29 H5   30   2.162e+07   15.0
H5   29 H5   30   1.008e+07   15.0
1H5' 30 H1'  30   7.474e+06   15.0
H1'  30 H6   30   1.585e+07   15.0
H4'  30 H1'  30   3.444e+07   15.0
1H5' 31 H1'  30   1.900e+06   15.0
H5   31 H6   30   8.843e+06   15.0
2H5' 31 H1'  31   9.938e+06   15.0
H1'  31 H6   31   1.609e+07   15.0
1H2' 31 H5   32   3.165e+07   15.0
1H2' 31 H6   32   6.835e+07   15.0
H1'  31 H6   32   1.175e+07   39.4
H3'  31 H6   32   1.215e+06   15.0 INT?
H6   31 H5   32   7.030e+06   15.0
H6   31 H6   32   7.350e+06   15.0
1H2' 32 H6   32   2.689e+07   15.0
1H5' 32 H5   32   4.296e+06   15.0
1H5' 32 H6   32   1.648e+07   15.0
2H5' 32 H6   32   5.364e+06   15.0
H1'  32 1H2' 32   4.704e+07   15.0
H1'  32 H6   32   1.494e+07   15.0
H3'  32 H5   32   1.457e+07   15.0
H3'  32 H6   32   5.065e+07   15.0
H4'  32 H1'  32   2.950e+07   15.0
H4'  32 H6   32   2.934e+07   15.0
H5   32 H6   32   7.506e+07   15.0
H1'  32 H6   33   1.155e+07   15.0
H3'  32 H6   33   2.830e+07   15.0
H5   32 H5   33   7.549e+06   15.0
H5   33 H6   32   1.026e+07   15.0
1H2' 33 H6   33   1.134e+07   15.0
1H5' 33 H1'  33   6.660e+06   15.0
1H5' 33 H6   33   1.670e+07   15.0
2H5' 33 H1'  33   4.894e+06   15.0
H1'  33 1H2' 33   4.751e+07   15.0
H1'  33 H6   33   1.246e+07   15.0
H4'  33 H1'  33   2.312e+07   15.0
H4'  33 H6   33   1.342e+07   15.0
H5   33 H6   33   6.790e+07   15.0
1H2' 33 H1'  34   2.859e+06   15.0
1H2' 33 H5   34   2.068e+07   15.0
1H2' 33 H6   34   5.977e+07   15.0
H1'  33 H6   34   1.176e+07   15.2
H3'  33 H5   34   1.600e+07   15.0
H5   33 H5   34   6.357e+06   49.8
H6   33 H5   34   5.357e+06   15.0
H6   33 H6   34   5.779e+06   17.1
H1'  34 H1'   3   1.699e+06   15.0
1H5' 34 H1'  33   2.939e+06   15.0
H4'  34 H1'  33   3.672e+06   15.0
H6   34 H3'  33   2.177e+07   15.0
1H2' 34 H5   34   5.526e+06   15.0
1H2' 34 H6   34   2.226e+07   15.0
1H5' 34 H6   34   8.042e+06   15.0
H1'  34 1H2' 34   5.957e+07   15.0
H1'  34 H5   34   4.283e+06   60.0
H1'  34 H6   34   1.309e+07   15.0
H3'  34 H5   34   1.650e+07   23.4
H5   34 H6   34   8.354e+07   15.0
H6   34 2H5' 34   1.164e+07   15.0
H8    1 1H5' 25   1.000e+01
H8    1 2H5' 25   1.000e+01
H8    1 H3'  25   1.000e+01
H2    8 H5   12   1.000e+01
H1'  12 H1'  14   1.000e+01
H3'  12 H5   14   1.000e+01
H5   12 2H5' 28   1.000e+01
H5   12 H8   28   1.000e+01
H3'  27 H3'  28   1.000e+01
H3'  27 1H5' 28   1.000e+01
H3'  27 H5   29   1.000e+01
H3'  27 H6   29   1.000e+01
H3'  27 H5   30   1.000e+01
H1'   8 H6   10   1.000e+01
1H2'  8 H5   10   1.000e+01
H2    8 H1'  12   1.000e+01
H1'  11 1H2' 12   1.000e+01
1H2' 11 H5   13   1.000e+01
1H2' 11 H6   13   1.000e+01
H3'  11 H5   13   1.000e+01
H3'  11 H6   13   1.000e+01
H5   12 1H5' 28   1.000e+01
H6   12 1H5' 28   1.000e+01
1H2'  9 H5   11   1.000e+01
1H5'  9 H5   11   1.000e+01
1H5'  9 H6   11   1.000e+01
H3'   9 H5   11   1.000e+01
H5    9 H5   11   1.000e+01
H6    9 H5   11   1.000e+01
1H2' 10 H5   12   1.000e+01
H6   10 H5   12   1.000e+01
H1'  10 H1   27   1.000e+01
H5   10 1H2' 27   1.000e+01
H6   10 1H2' 27   1.000e+01
H1'  13 H8   15   1.000e+01
H2   15 1H5' 28   1.000e+01
H1'  16 1H5' 28   1.000e+01
H2    8 1H2' 27   1.000e+01
H2    8 H3'  27   1.000e+01
H2    8 1H5' 27   1.000e+01
H2    8 2H5' 27   1.000e+01
H1'   9 H1   27   1.000e+01
H1'   9 H8   27   1.000e+01
H1'   9 H1   28   1.000e+01
H1'  12 H3'  14   1.000e+01
H5   12 H5   14   1.000e+01
H5   12 H8   15   1.000e+01
H4'   1 H5   20   1.000e+01
H2    8 1H5' 10   1.000e+01
1H5' 10 H1'  28   1.000e+01
H1'  11 H5   14   1.000e+01
H1'  13 1H4  14   1.000e+01
H1'  13 2H4  14   1.000e+01
H1'  13 1H5' 14   1.000e+01
H1'   1 H4'  17   1.000e+01
H4'   1 H1'  17   1.000e+01
H1'   1 1H5' 18   1.000e+01
1H5'  2 H1'  17   1.000e+01
1H5'  2 H1'  26   1.000e+01
H2    8 H5   11   1.000e+01
H6   10 1H2' 11   1.000e+01
H1'  11 H1   27   1.000e+01
H1'  17 H1'  26   1.000e+01
#
#  (5) Sugar pucker restraints
#
#  Based on DQFCOSY H1'-H2' cross-peaks,
#  residues U9, U10, C11, C12, U13, and G27 were restrained to
#  C2'-endo sugar pucker; the rest of residues were restrained
#  to C3'-endo sugar pucker.
#
#  The following restrints were used for the C3'-endo sugar pucker
#  (using AMBER flat-well potential):
#  C5'-C4'-C3'-O3' = 79 to 95 deg. (delta backbone torsion angle)
#  C3'-C2'-C1'-O4' = -30 to -18 deg. (endocyclic torsion angle)
#  C4'-C3'-C2'-C1' = 35 to 39 deg. (endocyclic torsion angle)
#
#  The following restrints were used for the C2'-endo sugar pucker
#  (using AMBER flat-well potential):
#  C5'-C4'-C3'-O3' = 120 to 160 deg. (delta backbone torsion angle)
#  C3'-C2'-C1'-O4' = 34 to 37 deg. (endocyclic torsion angle)
#  C4'-C3'-C2'-C1' = -37 to -19 deg. (endocyclic torsion angle)
#
#  (6) Residual dipolar coupling constants (in Hz)
#      in a format compatible with PALES
#
   15    A       C2    15    A       H2     36.430    1.000  1.00
   15    A       C8    15    A       H8    -53.870    1.000  1.00
   22    A       C1'   22    A       H1'    -7.690    1.000  1.00
   22    A       C2    22    A       H2    -79.520    1.000  1.00
    6    A       C2     6    A       H2    -81.160    1.000  1.00
    8    A       C2     8    A       H2     50.660    1.000  1.00
    8    A       C8     8    A       H8     21.430    1.000  1.00
   10    U       C1'   10    U       H1'    -6.150    1.000  1.00
   10    U       C4'   10    U       H4'   -19.790    1.000  1.00
   10    U       C5    10    U       H5      9.810    1.000  1.00
   10    U       C6    10    U       H6    -18.100    1.000  1.00
   13    U       C1'   13    U       H1'   -42.680    1.000  1.00
   13    U       C4'   13    U       H4'   -24.620    1.000  1.00
   13    U       C5    13    U       H5    -23.180    1.000  1.00
   13    U       C6    13    U       H6     49.780    1.000  1.00
   20    U       C4'   20    U       H4'   -46.180    1.000  1.00
   20    U       C5    20    U       H5      2.780    1.000  1.00
   20    U       C6    20    U       H6    -22.860    1.000  1.00
   29    U       C1'   29    U       H1'   -43.070    1.000  1.00
   32    U       C1'   32    U       H1'   -72.350    1.000  1.00
   32    U       C5    32    U       H5    -38.940    1.000  1.00
    9    U       C1'    9    U       H1'    -6.750    1.000  1.00
    9    U       C2'    9    U       H2'    -7.570    1.000  1.00
    9    U       C4'    9    U       H4'    -6.850    1.000  1.00
    9    U       C5     9    U       H5     38.030    1.000  1.00
    9    U       C6     9    U       H6    -62.470    1.000  1.00
#
#  (7) Table of chemical shifts.
#
#  "nd" stands for "not determined"; "na" stands for "non applicable"
#
# Proton chemical shifts. Non-exchangeable protons at 25 deg; iminos/aminos at 5 deg.
#
Res H6/H8 H2/H5 H1' H2' H3' H4' H5"/H5'  imino amino
G1 8.16 na 5.85 4.95 4.73 4.58 4.28/4.44 nd nd
G2 7.54 na 5.92 4.68 4.62 4.58 4.52/4.26 12.41 nd
A3 7.76 7.47 6.00 4.69 4.66 4.52 4.16  na nd
G4 7.07 na 5.63 4.55 4.41 4.46 4.42/4.05 12.77 8.33/6.10
G5 7.15 na 5.71 4.56 4.48 nd 4.05  12.49 nd
A6 7.80 7.81 5.99 4.59 4.59 4.48 4.11  na nd
C7 7.25 5.19 5.33 4.43 4.29 4.38 4.48/4.03 na 8.08/7.04
A8 7.88 7.26 5.91 4.32 4.41 4.41 4.42/4.04 na nd
U9 7.37 5.25 5.43 4.02 4.40 4.24 4.25/3.94 nd na
U10 7.71 5.71 5.78 4.30 4.46 4.32 4.11/3.98 nd na
C11 7.81 5.93 5.78 4.34 4.49 nd nd  na nd
C12 7.75 5.87 5.73 4.26 4.52 4.25 4.06  na nd
U13 7.87 5.83 5.90 4.47 4.45 4.55 4.33/4.12 nd na
C14 8.12 6.06 5.56 4.56 4.71 nd 4.55/4.12 na 8.57/7.31
A15 8.31 7.61 6.04 4.56 4.83 4.55 4.64/4.24 na nd
C16 7.61 5.31 5.51 4.38 4.45 4.43 4.12  na 8.31/6.96
G17 7.54 na 5.75 4.50 4.63 4.39 4.12  12.41 nd
G18 7.19 na 5.78 4.57 4.45 nd 4.11  13.12 nd
G19 7.17 na 5.76 4.41 nd 4.35 4.41/4.08 10.89 6.93
U20 7.75 5.44 5.44 4.36 4.16 4.08 4.17/3.84 nd na
G21 7.78 na 5.48 4.33 4.66 4.30 3.95/4.09 10.53 6.17
A22 8.30 8.26 6.14 4.54 4.98 4.48 4.55/4.27 na nd
C23 7.90 6.08 3.96 4.36 4.08 4.21 4.29/4.21 na 8.76/7.10
C24 7.78 5.65 5.53 4.60 nd nd nd  na 8.49/6.94
G25 7.64 na 5.73 4.52 nd nd 4.56/4.12 12.95 8.14/5.99
U26 7.75 5.16 5.54 4.36 4.58 4.44 4.12  14.12 na
G27 7.79 na 6.02 4.35 4.82 4.56 4.52/4.19 12.62 nd
G28 8.08 na 5.85 4.74 4.58 4.56 4.44/4.22 12.63 8.49/6.44
U29 7.89 5.16 5.64 4.60 4.51 4.50 nd  14.36 na
C30 7.88 5.69 5.60 4.42 4.42 4.47 4.13  na 8.54/7.05
C31 7.81 5.55 5.45 4.37 4.47 4.42 4.58/4.09 na 8.52/6.97
U32 7.96 5.41 5.53 4.50 4.55 4.45 4.60/4.09 14.07 na
C33 7.93 5.66 5.58 4.21 4.50 4.41 4.57/4.08 na 8.36/7.06
C34 7.66 5.48 5.72 3.99 4.17 4.17 4.49/4.03 na nd
#
# 13C chemical shifts (partial assignments)
#
TF10U 25 degrees
Res C6/C8 C2/C5 C1' C2' C3' C4' C5'
G1 139.2 na nd nd nd nd nd
G2 137.1 na nd nd nd nd nd
A3 139.3 153.5 93.2 76.1 72.9 nd nd
G4 135.7 na nd nd nd nd nd
G5 nd na nd nd nd nd nd
A6 139.4 154.3 93.1 75.9 nd nd nd
C7 nd  97.7 93.7 nd nd nd nd
A8 139.7 154.2 93.3 76.0 73.4 82.9 65.7
U9 141.8 104.3 91.6 76.1 nd 84.2 66.2
U10 143.7 105.1 91.8 75.6 nd 84.8 67.4
C11 143.9 141.1 nd nd nd nd nd
C12 143.6 140.9 nd nd nd nd nd
U13 143.0 105.3 93.3 nd nd 84.2 66.9
C14 nd  99.2 nd nd nd nd nd
A15 140.0 153.7 93.0 76.0 72.8 nd nd
C16 nd nd nd nd nd nd nd
G17 136.0 na nd nd nd nd nd
G18 nd na nd nd nd nd nd
G19 nd na nd nd nd nd nd
U20 143.0 104.1 92.6 76.1 73.3 83.5 64.8
G21 nd na nd nd nd nd nd
A22 140.8 155.8 91.8 77.1 73.6 82.8 65.8
C23 nd  99.4 nd nd nd nd nd
C24 141.1 nd nd nd nd nd nd
G25 136.4 na nd nd nd nd nd
U26 141.0 103.4 94.0 75.7 nd nd nd
G27 nd na 90.3 nd nd nd nd
G28 138.7 na nd nd nd nd nd
U29 142.7 102.6 94.1 75.6 nd 82.6 nd
C30 nd  97.9 nd nd nd nd nd
C31 141.6 nd 94.3 nd nd nd nd
U32 142.6 103.3 94.1 nd nd nd nd
C33 nd  97.3 nd nd nd nd nd
C34 142.0  98.1 nd nd 69.9 nd nd

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  -0.719 -13.897   0.581
    2   2H5*    G   1          2H5*        G   1   0.752 -13.878  -0.394
    3    H4*    G   1           H4*        G   1   0.005 -16.033   1.595
    4    H3*    G   1           H3*        G   1   1.972 -13.741   1.815
    5    H2*    G   1           H2*        G   1   3.321 -15.141   3.202
    6   2HO*    G   1          2HO*        G   1   1.157 -17.008   3.081
    7    H1*    G   1           H1*        G   1   3.060 -17.339   1.596
    8    H8     G   1           H8         G   1   3.254 -14.377  -0.708
    9    H1     G   1           H1         G   1   8.947 -15.982   1.719
   10   1H2     G   1          1H2         G   1   8.697 -17.445   3.355
   11   2H2     G   1          2H2         G   1   7.125 -18.036   3.846
   12   1H5*    G   2          1H5*        G   2   1.388 -15.109   5.914
   13   2H5*    G   2          2H5*        G   2   1.546 -13.693   6.989
   14    H4*    G   2           H4*        G   2   3.159 -15.634   7.394
   15    H3*    G   2           H3*        G   2   4.270 -12.871   6.831
   16    H2*    G   2           H2*        G   2   6.439 -13.751   7.319
   17   2HO*    G   2          2HO*        G   2   6.639 -15.894   8.157
   18    H1*    G   2           H1*        G   2   5.984 -16.134   5.955
   19    H8     G   2           H8         G   2   4.514 -13.637   3.658
   20    H1     G   2           H1         G   2  10.891 -13.209   3.782
   21   1H2     G   2          1H2         G   2  11.704 -14.332   5.503
   22   2H2     G   2          2H2         G   2  10.674 -15.202   6.619
   23   1H5*    A   3          1H5*        A   3   6.079 -13.922  10.758
   24   2H5*    A   3          2H5*        A   3   5.983 -12.410  11.701
   25    H4*    A   3           H4*        A   3   8.279 -13.349  11.625
   26    H3*    A   3           H3*        A   3   7.904 -10.724  10.162
   27    H2*    A   3           H2*        A   3  10.304 -10.668   9.899
   28   2HO*    A   3          2HO*        A   3  11.553 -12.382  10.844
   29    H1*    A   3           H1*        A   3  10.418 -13.275   9.062
   30    H8     A   3           H8         A   3   7.178 -11.998   7.670
   31   1H6     A   3          1H6         A   3  10.476  -9.258   3.198
   32   2H6     A   3          2H6         A   3   8.868  -9.706   3.728
   33    H2     A   3           H2         A   3  13.293 -10.695   6.385
   34   1H5*    G   4          1H5*        G   4  11.004  -9.981  12.923
   35   2H5*    G   4          2H5*        G   4  10.824  -8.382  13.688
   36    H4*    G   4           H4*        G   4  13.061  -8.693  12.687
   37    H3*    G   4           H3*        G   4  11.319  -6.646  11.292
   38    H2*    G   4           H2*        G   4  13.222  -6.090   9.938
   39   2HO*    G   4          2HO*        G   4  14.868  -6.296  11.539
   40    H1*    G   4           H1*        G   4  13.826  -8.705   9.415
   41    H8     G   4           H8         G   4  10.107  -8.724   9.613
   42    H1     G   4           H1         G   4  12.234  -5.968   4.259
   43   1H2     G   4          1H2         G   4  14.400  -5.567   4.410
   44   2H2     G   4          2H2         G   4  15.328  -5.997   5.829
   45   1H5*    G   5          1H5*        G   5  14.964  -4.269  12.119
   46   2H5*    G   5          2H5*        G   5  14.324  -2.725  12.740
   47    H4*    G   5           H4*        G   5  15.910  -2.481  10.814
   48    H3*    G   5           H3*        G   5  13.058  -1.556  10.379
   49    H2*    G   5           H2*        G   5  13.752  -0.688   8.249
   50   2HO*    G   5          2HO*        G   5  15.953  -0.691   7.673
   51    H1*    G   5           H1*        G   5  15.154  -2.951   7.583
   52    H8     G   5           H8         G   5  12.237  -4.297   9.491
   53    H1     G   5           H1         G   5  10.574  -2.263   3.664
   54   1H2     G   5          1H2         G   5  12.218  -1.089   2.757
   55   2H2     G   5          2H2         G   5  13.723  -0.797   3.598
   56   1H5*    A   6          1H5*        A   6  15.923   1.876   9.547
   57   2H5*    A   6          2H5*        A   6  15.018   3.380   9.869
   58    H4*    A   6           H4*        A   6  16.097   3.054   7.533
   59    H3*    A   6           H3*        A   6  13.176   3.796   7.836
   60    H2*    A   6           H2*        A   6  13.088   4.032   5.459
   61   2HO*    A   6          2HO*        A   6  14.993   3.932   4.215
   62    H1*    A   6           H1*        A   6  14.541   1.748   4.980
   63    H8     A   6           H8         A   6  12.241   1.013   7.885
   64   1H6     A   6          1H6         A   6   7.784   0.018   3.723
   65   2H6     A   6          2H6         A   6   8.239  -0.127   5.403
   66    H2     A   6           H2         A   6  11.300   1.840   1.607
   67   1H5*    C   7          1H5*        C   7  14.864   6.499   5.032
   68   2H5*    C   7          2H5*        C   7  14.037   8.077   5.123
   69    H4*    C   7           H4*        C   7  13.918   6.887   2.883
   70    H3*    C   7           H3*        C   7  11.318   7.509   4.294
   71    H2*    C   7           H2*        C   7  10.207   6.836   2.264
   72   2HO*    C   7          2HO*        C   7  11.755   7.699   0.762
   73    H1*    C   7           H1*        C   7  11.731   4.569   2.025
   74   1H4     C   7          1H4         C   7   6.577   3.003   5.481
   75   2H4     C   7          2H4         C   7   7.474   3.320   6.948
   76    H5     C   7           H5         C   7   9.734   4.286   6.947
   77    H6     C   7           H6         C   7  11.504   5.115   5.534
   78   1H5*    A   8          1H5*        A   8  10.696   9.715   0.478
   79   2H5*    A   8          2H5*        A   8   9.635  11.075   0.939
   80    H4*    A   8           H4*        A   8   8.757   9.347  -0.781
   81    H3*    A   8           H3*        A   8   7.152  10.110   1.672
   82    H2*    A   8           H2*        A   8   5.359   8.761   0.796
   83   2HO*    A   8          2HO*        A   8   5.646   7.709  -1.236
   84    H1*    A   8           H1*        A   8   6.950   6.644   0.320
   85    H8     A   8           H8         A   8   8.820   7.569   3.257
   86   1H6     A   8          1H6         A   8   3.983   6.257   6.872
   87   2H6     A   8          2H6         A   8   5.702   6.566   6.829
   88    H2     A   8           H2         A   8   2.543   6.530   2.643
   89   1H5*    U   9          1H5*        U   9   4.785  10.173  -1.308
   90   2H5*    U   9          2H5*        U   9   3.577  11.468  -1.517
   91    H4*    U   9           H4*        U   9   2.819   8.976  -1.368
   92    H3*    U   9           H3*        U   9   1.280  11.103  -1.090
   93    H2*    U   9           H2*        U   9   2.224  11.591   1.033
   94   2HO*    U   9          2HO*        U   9  -0.292  10.366   1.572
   95    H1*    U   9           H1*        U   9   1.345   8.764   1.738
   96    H3     U   9           H3         U   9   2.015   9.999   6.121
   97    H5     U   9           H5         U   9   5.782  10.309   4.287
   98    H6     U   9           H6         U   9   4.704   9.920   2.161
   99   1H5*    U  10          1H5*        U  10  -2.536  11.695  -2.070
  100   2H5*    U  10          2H5*        U  10  -1.086  12.345  -1.273
  101    H4*    U  10           H4*        U  10  -3.773  11.986   0.093
  102    H3*    U  10           H3*        U  10  -3.427  13.964  -1.755
  103    H2*    U  10           H2*        U  10  -1.316  14.673  -0.820
  104   2HO*    U  10          2HO*        U  10  -2.769  16.502  -0.986
  105    H1*    U  10           H1*        U  10  -2.636  14.659   1.899
  106    H3     U  10           H3         U  10   1.084  15.691   4.197
  107    H5     U  10           H5         U  10   2.601  13.595   0.875
  108    H6     U  10           H6         U  10   0.334  13.362   0.060
  109   1H5*    C  11          1H5*        C  11  -7.447  15.900   1.912
  110   2H5*    C  11          2H5*        C  11  -5.937  14.954   1.846
  111    H4*    C  11           H4*        C  11  -8.534  13.601   1.214
  112    H3*    C  11           H3*        C  11  -8.304  14.855   3.726
  113    H2*    C  11           H2*        C  11  -6.531  13.496   4.481
  114   2HO*    C  11          2HO*        C  11  -7.436  11.616   5.567
  115    H1*    C  11           H1*        C  11  -7.731  11.163   2.983
  116   1H4     C  11          1H4         C  11  -2.209   8.491   4.709
  117   2H4     C  11          2H4         C  11  -1.305   9.860   4.102
  118    H5     C  11           H5         C  11  -2.389  11.864   3.177
  119    H6     C  11           H6         C  11  -4.511  12.896   2.674
  120   1H5*    C  12          1H5*        C  12 -11.069  11.459   4.433
  121   2H5*    C  12          2H5*        C  12 -12.221  11.254   3.094
  122    H4*    C  12           H4*        C  12 -13.999  10.950   4.484
  123    H3*    C  12           H3*        C  12 -13.466  13.285   5.744
  124    H2*    C  12           H2*        C  12 -11.558  12.465   6.941
  125   2HO*    C  12          2HO*        C  12 -13.023  13.363   8.480
  126    H1*    C  12           H1*        C  12 -13.095   9.987   7.766
  127   1H4     C  12          1H4         C  12  -7.264   7.916   9.262
  128   2H4     C  12          2H4         C  12  -6.528   8.883   8.004
  129    H5     C  12           H5         C  12  -7.827  10.342   6.512
  130    H6     C  12           H6         C  12 -10.043  11.119   5.983
  131   1H5*    U  13          1H5*        U  13 -18.135  10.526   4.538
  132   2H5*    U  13          2H5*        U  13 -17.653   8.867   4.971
  133    H4*    U  13           H4*        U  13 -16.781  10.509   2.605
  134    H3*    U  13           H3*        U  13 -18.893   8.947   2.487
  135    H2*    U  13           H2*        U  13 -17.890   7.172   3.809
  136   2HO*    U  13          2HO*        U  13 -17.442   5.444   2.264
  137    H1*    U  13           H1*        U  13 -15.515   7.089   1.954
  138    H3     U  13           H3         U  13 -13.852   3.915   4.806
  139    H5     U  13           H5         U  13 -14.786   7.194   7.297
  140    H6     U  13           H6         U  13 -15.771   8.255   5.396
  141   1H5*    C  14          1H5*        C  14 -15.022   8.844  -0.986
  142   2H5*    C  14          2H5*        C  14 -14.660   8.447   0.713
  143    H4*    C  14           H4*        C  14 -13.248  10.615  -0.881
  144    H3*    C  14           H3*        C  14 -12.492   7.734  -0.380
  145    H2*    C  14           H2*        C  14 -10.220   8.326  -0.046
  146   2HO*    C  14          2HO*        C  14  -9.454  10.405  -0.613
  147    H1*    C  14           H1*        C  14 -10.717  10.674   1.320
  148   1H4     C  14          1H4         C  14  -9.588   6.114   5.682
  149   2H4     C  14          2H4         C  14 -11.314   5.970   5.903
  150    H5     C  14           H5         C  14 -12.930   7.128   4.491
  151    H6     C  14           H6         C  14 -13.196   8.622   2.617
  152   1H5*    A  15          1H5*        A  15  -9.413   8.354  -2.245
  153   2H5*    A  15          2H5*        A  15  -9.222   7.374  -3.720
  154    H4*    A  15           H4*        A  15  -7.318   6.990  -2.280
  155    H3*    A  15           H3*        A  15  -9.278   4.695  -2.333
  156    H2*    A  15           H2*        A  15  -7.905   3.440  -0.823
  157   2HO*    A  15          2HO*        A  15  -5.813   4.168  -0.295
  158    H1*    A  15           H1*        A  15  -7.406   5.539   0.860
  159    H8     A  15           H8         A  15 -10.792   5.411  -0.846
  160   1H6     A  15          1H6         A  15 -12.706   2.573   4.378
  161   2H6     A  15          2H6         A  15 -13.251   3.233   2.849
  162    H2     A  15           H2         A  15  -8.252   3.207   4.526
  163   1H5*    C  16          1H5*        C  16  -5.691   2.782  -3.113
  164   2H5*    C  16          2H5*        C  16  -5.851   1.544  -4.389
  165    H4*    C  16           H4*        C  16  -5.024   0.627  -2.237
  166    H3*    C  16           H3*        C  16  -7.771  -0.298  -3.111
  167    H2*    C  16           H2*        C  16  -7.743  -1.831  -1.274
  168   2HO*    C  16          2HO*        C  16  -5.827  -2.123  -0.051
  169    H1*    C  16           H1*        C  16  -6.619   0.011   0.481
  170   1H4     C  16          1H4         C  16 -12.862   0.269   1.656
  171   2H4     C  16          2H4         C  16 -13.115   1.315   0.273
  172    H5     C  16           H5         C  16 -11.315   1.900  -1.301
  173    H6     C  16           H6         C  16  -8.970   1.585  -1.811
  174   1H5*    G  17          1H5*        G  17  -4.988  -3.638  -2.628
  175   2H5*    G  17          2H5*        G  17  -5.250  -4.877  -3.883
  176    H4*    G  17           H4*        G  17  -5.099  -5.867  -1.634
  177    H3*    G  17           H3*        G  17  -7.839  -5.999  -2.914
  178    H2*    G  17           H2*        G  17  -8.571  -7.328  -1.046
  179   2HO*    G  17          2HO*        G  17  -7.067  -8.020   0.520
  180    H1*    G  17           H1*        G  17  -7.425  -5.673   0.812
  181    H8     G  17           H8         G  17  -8.556  -3.450  -2.015
  182    H1     G  17           H1         G  17 -13.346  -5.281   1.800
  183   1H2     G  17          1H2         G  17 -12.672  -6.891   3.160
  184   2H2     G  17          2H2         G  17 -11.035  -7.509   3.128
  185   1H5*    G  18          1H5*        G  18  -7.056  -9.832  -1.669
  186   2H5*    G  18          2H5*        G  18  -7.508 -11.051  -2.891
  187    H4*    G  18           H4*        G  18  -8.561 -11.443  -0.670
  188    H3*    G  18           H3*        G  18 -10.440 -10.722  -2.932
  189    H2*    G  18           H2*        G  18 -12.265 -11.158  -1.453
  190   2HO*    G  18          2HO*        G  18 -11.349 -13.084  -0.496
  191    H1*    G  18           H1*        G  18 -10.994  -9.986   0.753
  192    H8     G  18           H8         G  18 -10.491  -7.834  -2.328
  193    H1     G  18           H1         G  18 -16.191  -6.993   0.469
  194   1H2     G  18          1H2         G  18 -16.527  -8.550   2.004
  195   2H2     G  18          2H2         G  18 -15.347  -9.797   2.339
  196   1H5*    G  19          1H5*        G  19 -13.030 -14.204  -5.120
  197   2H5*    G  19          2H5*        G  19 -13.041 -12.419  -5.096
  198    H4*    G  19           H4*        G  19 -14.647 -14.259  -3.295
  199    H3*    G  19           H3*        G  19 -15.460 -12.459  -5.589
  200    H2*    G  19           H2*        G  19 -17.576 -12.157  -4.502
  201   2HO*    G  19          2HO*        G  19 -17.894 -13.311  -2.450
  202    H1*    G  19           H1*        G  19 -16.442 -11.712  -2.047
  203    H8     G  19           H8         G  19 -14.661 -10.504  -5.283
  204    H1     G  19           H1         G  19 -18.211  -6.099  -2.301
  205   1H2     G  19          1H2         G  19 -19.260  -7.001  -0.586
  206   2H2     G  19          2H2         G  19 -19.090  -8.692  -0.170
  207   1H5*    U  20          1H5*        U  20 -17.123 -12.348  -8.329
  208   2H5*    U  20          2H5*        U  20 -17.425 -12.853  -6.649
  209    H4*    U  20           H4*        U  20 -19.079 -13.527  -9.098
  210    H3*    U  20           H3*        U  20 -19.685 -11.969  -6.571
  211    H2*    U  20           H2*        U  20 -21.966 -12.623  -6.805
  212   2HO*    U  20          2HO*        U  20 -22.097 -12.194  -9.101
  213    H1*    U  20           H1*        U  20 -21.319 -15.182  -7.831
  214    H3     U  20           H3         U  20 -22.967 -16.892  -4.058
  215    H5     U  20           H5         U  20 -20.411 -13.878  -2.630
  216    H6     U  20           H6         U  20 -19.884 -13.316  -4.934
  217   1H5*    G  21          1H5*        G  21 -21.329  -8.458  -6.026
  218   2H5*    G  21          2H5*        G  21 -20.454  -9.849  -5.328
  219    H4*    G  21           H4*        G  21 -23.456  -9.481  -5.160
  220    H3*    G  21           H3*        G  21 -21.315  -8.706  -3.174
  221    H2*    G  21           H2*        G  21 -22.836  -9.280  -1.416
  222   2HO*    G  21          2HO*        G  21 -24.796  -8.534  -2.300
  223    H1*    G  21           H1*        G  21 -23.576 -11.633  -2.545
  224    H8     G  21           H8         G  21 -19.912 -10.646  -3.194
  225    H1     G  21           H1         G  21 -20.841 -14.117   2.092
  226   1H2     G  21          1H2         G  21 -23.001 -14.394   2.459
  227   2H2     G  21          2H2         G  21 -24.222 -13.717   1.406
  228   1H5*    A  22          1H5*        A  22 -24.748  -5.924  -2.213
  229   2H5*    A  22          2H5*        A  22 -24.210  -4.721  -1.011
  230    H4*    A  22           H4*        A  22 -25.915  -6.521  -0.272
  231    H3*    A  22           H3*        A  22 -23.351  -6.094   1.273
  232    H2*    A  22           H2*        A  22 -24.249  -7.596   2.929
  233   2HO*    A  22          2HO*        A  22 -26.484  -6.879   2.711
  234    H1*    A  22           H1*        A  22 -25.009  -9.422   1.023
  235    H8     A  22           H8         A  22 -21.846  -7.950  -0.321
  236   1H6     A  22          1H6         A  22 -18.723 -11.631   3.528
  237   2H6     A  22          2H6         A  22 -18.600 -10.548   2.160
  238    H2     A  22           H2         A  22 -23.041 -11.754   4.671
  239   1H5*    C  23          1H5*        C  23 -24.493  -5.691   3.898
  240   2H5*    C  23          2H5*        C  23 -23.860  -4.591   5.144
  241    H4*    C  23           H4*        C  23 -22.925  -6.946   5.159
  242    H3*    C  23           H3*        C  23 -21.007  -4.640   4.763
  243    H2*    C  23           H2*        C  23 -19.222  -6.230   4.958
  244   2HO*    C  23          2HO*        C  23 -19.661  -8.383   5.557
  245    H1*    C  23           H1*        C  23 -20.471  -8.089   3.330
  246   1H4     C  23          1H4         C  23 -16.653  -4.659  -0.472
  247   2H4     C  23          2H4         C  23 -17.938  -3.499  -0.729
  248    H5     C  23           H5         C  23 -20.079  -3.596   0.473
  249    H6     C  23           H6         C  23 -21.370  -4.828   2.111
  250   1H5*    C  24          1H5*        C  24 -19.696  -6.900   8.197
  251   2H5*    C  24          2H5*        C  24 -18.836  -5.847   9.353
  252    H4*    C  24           H4*        C  24 -17.501  -7.805   8.493
  253    H3*    C  24           H3*        C  24 -16.457  -5.036   7.850
  254    H2*    C  24           H2*        C  24 -14.474  -6.121   7.039
  255   2HO*    C  24          2HO*        C  24 -14.207  -8.377   7.324
  256    H1*    C  24           H1*        C  24 -15.910  -8.097   5.718
  257   1H4     C  24          1H4         C  24 -14.731  -3.612   1.332
  258   2H4     C  24          2H4         C  24 -16.078  -2.658   1.908
  259    H5     C  24           H5         C  24 -17.396  -3.269   3.886
  260    H6     C  24           H6         C  24 -17.655  -4.902   5.646
  261   1H5*    G  25          1H5*        G  25 -13.432  -7.135   9.862
  262   2H5*    G  25          2H5*        G  25 -12.453  -6.099  10.934
  263    H4*    G  25           H4*        G  25 -11.107  -7.360   9.254
  264    H3*    G  25           H3*        G  25 -11.119  -4.342   8.998
  265    H2*    G  25           H2*        G  25  -9.468  -4.562   7.274
  266   2HO*    G  25          2HO*        G  25  -8.590  -6.634   6.799
  267    H1*    G  25           H1*        G  25 -10.789  -6.609   6.007
  268    H8     G  25           H8         G  25 -13.587  -4.436   7.211
  269    H1     G  25           H1         G  25 -10.418  -1.799   2.290
  270   1H2     G  25          1H2         G  25  -8.524  -2.911   1.920
  271   2H2     G  25          2H2         G  25  -8.052  -4.292   2.884
  272   1H5*    U  26          1H5*        U  26  -7.204  -5.053   8.757
  273   2H5*    U  26          2H5*        U  26  -6.246  -3.892   9.713
  274    H4*    U  26           H4*        U  26  -5.779  -3.948   7.212
  275    H3*    U  26           H3*        U  26  -6.659  -1.359   8.505
  276    H2*    U  26           H2*        U  26  -6.349  -0.263   6.415
  277   2HO*    U  26          2HO*        U  26  -5.225  -1.264   4.722
  278    H1*    U  26           H1*        U  26  -7.326  -2.403   4.893
  279    H3     U  26           H3         U  26  -9.987   1.371   4.543
  280    H5     U  26           H5         U  26 -11.558  -0.920   7.702
  281    H6     U  26           H6         U  26  -9.573  -2.304   7.596
  282   1H5*    G  27          1H5*        G  27  -2.937  -1.263   6.292
  283   2H5*    G  27          2H5*        G  27  -1.756  -0.050   6.845
  284    H4*    G  27           H4*        G  27  -2.826  -0.198   4.324
  285    H3*    G  27           H3*        G  27  -0.939   1.456   5.442
  286    H2*    G  27           H2*        G  27  -2.532   2.893   6.471
  287   2HO*    G  27          2HO*        G  27  -1.164   4.161   5.073
  288    H1*    G  27           H1*        G  27  -4.131   2.866   3.895
  289    H8     G  27           H8         G  27  -4.886   2.212   7.623
  290    H1     G  27           H1         G  27  -8.192   6.985   4.956
  291   1H2     G  27          1H2         G  27  -7.527   7.322   2.875
  292   2H2     G  27          2H2         G  27  -6.263   6.356   2.143
  293   1H5*    G  28          1H5*        G  28  -1.898   2.661   0.655
  294   2H5*    G  28          2H5*        G  28  -2.130   1.159  -0.275
  295    H4*    G  28           H4*        G  28  -0.934   2.440  -1.766
  296    H3*    G  28           H3*        G  28   1.018   0.836  -0.138
  297    H2*    G  28           H2*        G  28   2.883   1.940  -1.089
  298   2HO*    G  28          2HO*        G  28   2.596   3.396  -2.848
  299    H1*    G  28           H1*        G  28   1.923   4.434  -0.901
  300    H8     G  28           H8         G  28   0.368   2.806   2.098
  301    H1     G  28           H1         G  28   6.600   3.980   2.897
  302   1H2     G  28          1H2         G  28   7.538   4.518   0.972
  303   2H2     G  28          2H2         G  28   6.627   4.590  -0.521
  304   1H5*    U  29          1H5*        U  29   2.399   0.471  -4.124
  305   2H5*    U  29          2H5*        U  29   2.926  -1.195  -4.492
  306    H4*    U  29           H4*        U  29   4.688   0.498  -4.925
  307    H3*    U  29           H3*        U  29   5.244  -1.422  -2.652
  308    H2*    U  29           H2*        U  29   7.416  -0.487  -2.516
  309   2HO*    U  29          2HO*        U  29   8.216   0.873  -4.152
  310    H1*    U  29           H1*        U  29   6.557   2.115  -3.043
  311    H3     U  29           H3         U  29   8.343   1.799   1.246
  312    H5     U  29           H5         U  29   4.327   0.551   1.568
  313    H6     U  29           H6         U  29   4.192   0.588  -0.837
  314   1H5*    C  30          1H5*        C  30   8.591  -1.425  -5.359
  315   2H5*    C  30          2H5*        C  30   9.494  -2.958  -5.236
  316    H4*    C  30           H4*        C  30  10.646  -0.691  -4.567
  317    H3*    C  30           H3*        C  30  10.780  -3.207  -2.898
  318    H2*    C  30           H2*        C  30  12.192  -2.063  -1.353
  319   2HO*    C  30          2HO*        C  30  13.061  -0.018  -1.862
  320    H1*    C  30           H1*        C  30  10.771   0.313  -1.445
  321   1H4     C  30          1H4         C  30   8.725  -3.077   3.626
  322   2H4     C  30          2H4         C  30   7.298  -3.481   2.704
  323    H5     C  30           H5         C  30   7.032  -2.922   0.339
  324    H6     C  30           H6         C  30   8.099  -1.897  -1.563
  325   1H5*    C  31          1H5*        C  31  14.659  -1.902  -3.027
  326   2H5*    C  31          2H5*        C  31  15.810  -3.222  -3.363
  327    H4*    C  31           H4*        C  31  16.358  -2.026  -1.274
  328    H3*    C  31           H3*        C  31  15.410  -4.880  -0.960
  329    H2*    C  31           H2*        C  31  15.827  -4.726   1.388
  330   2HO*    C  31          2HO*        C  31  17.029  -2.194   0.797
  331    H1*    C  31           H1*        C  31  14.750  -2.204   1.642
  332   1H4     C  31          1H4         C  31  10.035  -6.299   2.992
  333   2H4     C  31          2H4         C  31   9.534  -6.266   1.317
  334    H5     C  31           H5         C  31  10.810  -5.105  -0.432
  335    H6     C  31           H6         C  31  12.781  -3.789  -0.862
  336   1H5*    U  32          1H5*        U  32  18.303  -5.181   1.645
  337   2H5*    U  32          2H5*        U  32  19.551  -6.249   0.958
  338    H4*    U  32           H4*        U  32  19.177  -7.096   3.112
  339    H3*    U  32           H3*        U  32  17.476  -8.672   1.178
  340    H2*    U  32           H2*        U  32  16.815 -10.062   2.988
  341   2HO*    U  32          2HO*        U  32  17.791  -9.849   5.032
  342    H1*    U  32           H1*        U  32  16.335  -8.027   4.692
  343    H3     U  32           H3         U  32  12.293  -9.538   3.442
  344    H5     U  32           H5         U  32  13.470  -7.043   0.277
  345    H6     U  32           H6         U  32  15.672  -6.877   1.321
  346   1H5*    C  33          1H5*        C  33  19.615 -11.356   3.743
  347   2H5*    C  33          2H5*        C  33  20.045 -12.854   2.879
  348    H4*    C  33           H4*        C  33  18.752 -13.260   4.970
  349    H3*    C  33           H3*        C  33  17.331 -13.993   2.397
  350    H2*    C  33           H2*        C  33  15.643 -14.989   3.755
  351   2HO*    C  33          2HO*        C  33  15.932 -15.144   6.026
  352    H1*    C  33           H1*        C  33  15.584 -12.896   5.551
  353   1H4     C  33          1H4         C  33  10.968 -11.691   1.317
  354   2H4     C  33          2H4         C  33  12.127 -10.974   0.219
  355    H5     C  33           H5         C  33  14.553 -10.974   0.650
  356    H6     C  33           H6         C  33  16.266 -11.677   2.202
  357   1H5*    C  34          1H5*        C  34  17.196 -17.308   5.167
  358   2H5*    C  34          2H5*        C  34  17.308 -18.821   4.239
  359    H4*    C  34           H4*        C  34  15.312 -18.651   5.770
  360    H3*    C  34           H3*        C  34  14.804 -18.951   2.799
  361    H2*    C  34           H2*        C  34  12.482 -19.194   3.302
  362   2HO*    C  34          2HO*        C  34  11.803 -19.395   5.496
  363    H1*    C  34           H1*        C  34  12.494 -17.195   5.252
  364   1H4     C  34          1H4         C  34  10.397 -14.447  -0.117
  365   2H4     C  34          2H4         C  34  12.046 -14.126  -0.611
  366    H5     C  34           H5         C  34  14.000 -14.956   0.632
  367    H6     C  34           H6         C  34  14.701 -16.230   2.562
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  -2.107 -11.432   0.942
    2   2H5*    G   1          2H5*        G   1  -0.692 -11.604  -0.097
    3    H4*    G   1           H4*        G   1  -1.727 -13.717   1.807
    4    H3*    G   1           H3*        G   1   0.608 -11.804   2.051
    5    H2*    G   1           H2*        G   1   1.754 -13.489   3.298
    6   2HO*    G   1          2HO*        G   1   0.701 -15.359   3.980
    7    H1*    G   1           H1*        G   1   1.085 -15.504   1.582
    8    H8     G   1           H8         G   1   1.638 -12.471  -0.561
    9    H1     G   1           H1         G   1   7.112 -15.057   1.495
   10   1H2     G   1          1H2         G   1   6.707 -16.552   3.073
   11   2H2     G   1          2H2         G   1   5.084 -16.921   3.612
   12   1H5*    G   2          1H5*        G   2   0.005 -13.242   6.125
   13   2H5*    G   2          2H5*        G   2   0.442 -11.910   7.229
   14    H4*    G   2           H4*        G   2   1.749 -14.099   7.472
   15    H3*    G   2           H3*        G   2   3.243 -11.514   6.958
   16    H2*    G   2           H2*        G   2   5.272 -12.734   7.295
   17   2HO*    G   2          2HO*        G   2   5.198 -14.897   8.060
   18    H1*    G   2           H1*        G   2   4.389 -14.957   5.866
   19    H8     G   2           H8         G   2   3.218 -12.219   3.700
   20    H1     G   2           H1         G   2   9.598 -12.622   3.626
   21   1H2     G   2          1H2         G   2  10.308 -13.902   5.282
   22   2H2     G   2          2H2         G   2   9.207 -14.671   6.405
   23   1H5*    A   3          1H5*        A   3   5.062 -13.030  10.779
   24   2H5*    A   3          2H5*        A   3   5.112 -11.565  11.797
   25    H4*    A   3           H4*        A   3   7.300 -12.690  11.729
   26    H3*    A   3           H3*        A   3   7.220 -10.049  10.247
   27    H2*    A   3           H2*        A   3   9.612 -10.244  10.006
   28   2HO*    A   3          2HO*        A   3  10.677 -12.061  10.968
   29    H1*    A   3           H1*        A   3   9.461 -12.841   9.161
   30    H8     A   3           H8         A   3   6.356 -11.231   7.801
   31   1H6     A   3          1H6         A   3   9.872  -8.849   3.302
   32   2H6     A   3          2H6         A   3   8.234  -9.124   3.853
   33    H2     A   3           H2         A   3  12.562 -10.584   6.449
   34   1H5*    G   4          1H5*        G   4  10.362  -9.633  12.993
   35   2H5*    G   4          2H5*        G   4  10.369  -8.019  13.748
   36    H4*    G   4           H4*        G   4  12.549  -8.592  12.731
   37    H3*    G   4           H3*        G   4  11.044  -6.360  11.342
   38    H2*    G   4           H2*        G   4  12.999  -6.026   9.986
   39   2HO*    G   4          2HO*        G   4  14.608  -6.421  11.593
   40    H1*    G   4           H1*        G   4  13.298  -8.697   9.469
   41    H8     G   4           H8         G   4   9.598  -8.244   9.665
   42    H1     G   4           H1         G   4  12.064  -5.863   4.273
   43   1H2     G   4          1H2         G   4  14.265  -5.748   4.421
   44   2H2     G   4          2H2         G   4  15.130  -6.275   5.848
   45   1H5*    G   5          1H5*        G   5  14.907  -4.414  12.145
   46   2H5*    G   5          2H5*        G   5  14.467  -2.786  12.726
   47    H4*    G   5           H4*        G   5  16.048  -2.808  10.773
   48    H3*    G   5           H3*        G   5  13.338  -1.515  10.365
   49    H2*    G   5           H2*        G   5  14.097  -0.799   8.203
   50   2HO*    G   5          2HO*        G   5  16.288  -1.194   7.590
   51    H1*    G   5           H1*        G   5  15.194  -3.239   7.574
   52    H8     G   5           H8         G   5  12.158  -4.216   9.495
   53    H1     G   5           H1         G   5  10.673  -1.894   3.724
   54   1H2     G   5          1H2         G   5  12.435  -0.913   2.811
   55   2H2     G   5          2H2         G   5  13.977  -0.825   3.631
   56   1H5*    A   6          1H5*        A   6  16.528   1.399   9.227
   57   2H5*    A   6          2H5*        A   6  15.892   3.032   9.565
   58    H4*    A   6           H4*        A   6  16.692   2.476   7.157
   59    H3*    A   6           H3*        A   6  13.960   3.676   7.681
   60    H2*    A   6           H2*        A   6  13.701   3.869   5.309
   61   2HO*    A   6          2HO*        A   6  15.453   3.405   3.921
   62    H1*    A   6           H1*        A   6  14.713   1.367   4.804
   63    H8     A   6           H8         A   6  12.631   1.036   7.924
   64   1H6     A   6          1H6         A   6   7.668   0.793   4.254
   65   2H6     A   6          2H6         A   6   8.263   0.568   5.882
   66    H2     A   6           H2         A   6  11.193   2.028   1.768
   67   1H5*    C   7          1H5*        C   7  15.726   5.862   4.595
   68   2H5*    C   7          2H5*        C   7  15.288   7.586   4.698
   69    H4*    C   7           H4*        C   7  14.658   6.410   2.538
   70    H3*    C   7           H3*        C   7  12.461   7.647   4.198
   71    H2*    C   7           H2*        C   7  10.958   7.189   2.382
   72   2HO*    C   7          2HO*        C   7  12.383   7.730   0.644
   73    H1*    C   7           H1*        C   7  12.019   4.654   1.943
   74   1H4     C   7          1H4         C   7   6.932   3.930   5.749
   75   2H4     C   7          2H4         C   7   7.975   4.043   7.148
   76    H5     C   7           H5         C   7  10.367   4.600   6.991
   77    H6     C   7           H6         C   7  12.155   5.146   5.458
   78   1H5*    A   8          1H5*        A   8  10.794  11.572   0.896
   79   2H5*    A   8          2H5*        A   8   9.931  10.882   2.297
   80    H4*    A   8           H4*        A   8   9.710  10.200  -0.622
   81    H3*    A   8           H3*        A   8   7.787  10.826   1.611
   82    H2*    A   8           H2*        A   8   6.124   9.376   0.689
   83   2HO*    A   8          2HO*        A   8   7.935   9.049  -1.510
   84    H1*    A   8           H1*        A   8   7.750   7.299   0.301
   85    H8     A   8           H8         A   8   9.643   8.441   3.153
   86   1H6     A   8          1H6         A   8   4.954   6.959   6.909
   87   2H6     A   8          2H6         A   8   6.650   7.377   6.828
   88    H2     A   8           H2         A   8   3.429   7.000   2.699
   89   1H5*    U   9          1H5*        U   9   5.473  10.667  -0.939
   90   2H5*    U   9          2H5*        U   9   4.709  12.126  -1.623
   91    H4*    U   9           H4*        U   9   3.035  10.432  -1.285
   92    H3*    U   9           H3*        U   9   2.897  12.895   0.311
   93    H2*    U   9           H2*        U   9   1.782  12.018   2.113
   94   2HO*    U   9          2HO*        U   9   0.091  10.445   1.830
   95    H1*    U   9           H1*        U   9   1.975   9.228   1.664
   96    H3     U   9           H3         U   9   2.649  10.337   6.130
   97    H5     U   9           H5         U   9   6.340  10.870   4.168
   98    H6     U   9           H6         U   9   5.206  10.549   2.083
   99   1H5*    U  10          1H5*        U  10  -1.859  12.923   0.451
  100   2H5*    U  10          2H5*        U  10  -1.848  14.167  -0.822
  101    H4*    U  10           H4*        U  10  -2.889  14.592   1.628
  102    H3*    U  10           H3*        U  10  -2.523  16.316  -0.396
  103    H2*    U  10           H2*        U  10  -0.135  16.451  -0.085
  104   2HO*    U  10          2HO*        U  10   0.270  18.540   0.825
  105    H1*    U  10           H1*        U  10  -0.525  16.972   2.872
  106    H3     U  10           H3         U  10   4.145  17.260   1.704
  107    H5     U  10           H5         U  10   3.111  13.365   2.956
  108    H6     U  10           H6         U  10   0.807  13.988   2.751
  109   1H5*    C  11          1H5*        C  11  -6.611  17.710   2.657
  110   2H5*    C  11          2H5*        C  11  -5.328  16.550   3.099
  111    H4*    C  11           H4*        C  11  -7.891  15.905   1.606
  112    H3*    C  11           H3*        C  11  -7.688  16.156   4.373
  113    H2*    C  11           H2*        C  11  -6.062  14.441   4.606
  114   2HO*    C  11          2HO*        C  11  -8.048  13.817   5.747
  115    H1*    C  11           H1*        C  11  -7.566  12.851   2.528
  116   1H4     C  11          1H4         C  11  -2.515   9.013   2.988
  117   2H4     C  11          2H4         C  11  -1.425  10.370   3.157
  118    H5     C  11           H5         C  11  -2.205  12.702   3.203
  119    H6     C  11           H6         C  11  -4.138  14.131   3.093
  120   1H5*    C  12          1H5*        C  12 -10.298  12.705   4.720
  121   2H5*    C  12          2H5*        C  12 -11.460  12.465   3.393
  122    H4*    C  12           H4*        C  12 -13.041  11.733   4.807
  123    H3*    C  12           H3*        C  12 -13.197  14.290   5.724
  124    H2*    C  12           H2*        C  12 -11.292  14.103   7.174
  125   2HO*    C  12          2HO*        C  12 -13.073  14.833   8.437
  126    H1*    C  12           H1*        C  12 -12.347  11.459   8.213
  127   1H4     C  12          1H4         C  12  -6.532  11.471  10.844
  128   2H4     C  12          2H4         C  12  -5.786  11.696   9.279
  129    H5     C  12           H5         C  12  -7.082  12.020   7.214
  130    H6     C  12           H6         C  12  -9.314  12.171   6.307
  131   1H5*    U  13          1H5*        U  13 -17.136  10.538   4.506
  132   2H5*    U  13          2H5*        U  13 -16.386   9.035   5.092
  133    H4*    U  13           H4*        U  13 -15.411  10.841   2.882
  134    H3*    U  13           H3*        U  13 -17.172   8.941   2.372
  135    H2*    U  13           H2*        U  13 -16.128   7.388   3.941
  136   2HO*    U  13          2HO*        U  13 -15.243   6.651   1.339
  137    H1*    U  13           H1*        U  13 -13.538   7.772   2.442
  138    H3     U  13           H3         U  13 -12.013   4.579   5.415
  139    H5     U  13           H5         U  13 -13.266   7.848   7.776
  140    H6     U  13           H6         U  13 -14.163   8.843   5.809
  141   1H5*    C  14          1H5*        C  14 -13.341  10.354   1.575
  142   2H5*    C  14          2H5*        C  14 -13.216  12.042   1.025
  143    H4*    C  14           H4*        C  14 -11.618  11.365  -0.717
  144    H3*    C  14           H3*        C  14 -12.041   8.575   0.377
  145    H2*    C  14           H2*        C  14  -9.738   8.073   0.016
  146   2HO*    C  14          2HO*        C  14  -8.405   9.507  -1.156
  147    H1*    C  14           H1*        C  14  -8.790  10.467   0.930
  148   1H4     C  14          1H4         C  14  -8.756   6.362   5.842
  149   2H4     C  14          2H4         C  14 -10.222   7.111   6.421
  150    H5     C  14           H5         C  14 -11.442   8.806   5.141
  151    H6     C  14           H6         C  14 -11.487  10.059   3.079
  152   1H5*    A  15          1H5*        A  15  -9.307   7.903  -2.869
  153   2H5*    A  15          2H5*        A  15  -9.945   6.473  -3.712
  154    H4*    A  15           H4*        A  15  -7.527   6.430  -2.669
  155    H3*    A  15           H3*        A  15  -9.561   4.215  -2.449
  156    H2*    A  15           H2*        A  15  -8.073   2.910  -1.092
  157   2HO*    A  15          2HO*        A  15  -5.909   3.641  -0.762
  158    H1*    A  15           H1*        A  15  -7.331   4.963   0.523
  159    H8     A  15           H8         A  15 -10.853   5.065  -0.898
  160   1H6     A  15          1H6         A  15 -12.534   2.299   4.433
  161   2H6     A  15          2H6         A  15 -13.145   3.008   2.952
  162    H2     A  15           H2         A  15  -8.061   2.651   4.276
  163   1H5*    C  16          1H5*        C  16  -6.061   2.220  -3.645
  164   2H5*    C  16          2H5*        C  16  -6.401   0.925  -4.826
  165    H4*    C  16           H4*        C  16  -5.276   0.110  -2.760
  166    H3*    C  16           H3*        C  16  -8.103  -0.866  -3.238
  167    H2*    C  16           H2*        C  16  -7.841  -2.309  -1.345
  168   2HO*    C  16          2HO*        C  16  -5.784  -2.519  -0.344
  169    H1*    C  16           H1*        C  16  -6.538  -0.384   0.178
  170   1H4     C  16          1H4         C  16 -12.639  -0.075   1.979
  171   2H4     C  16          2H4         C  16 -13.014   0.956   0.615
  172    H5     C  16           H5         C  16 -11.380   1.498  -1.133
  173    H6     C  16           H6         C  16  -9.107   1.150  -1.874
  174   1H5*    G  17          1H5*        G  17  -5.288  -4.108  -2.750
  175   2H5*    G  17          2H5*        G  17  -5.614  -5.431  -3.899
  176    H4*    G  17           H4*        G  17  -5.263  -6.212  -1.563
  177    H3*    G  17           H3*        G  17  -8.011  -6.644  -2.753
  178    H2*    G  17           H2*        G  17  -8.621  -7.855  -0.767
  179   2HO*    G  17          2HO*        G  17  -7.044  -8.313   0.818
  180    H1*    G  17           H1*        G  17  -7.556  -5.986   0.928
  181    H8     G  17           H8         G  17  -8.836  -3.928  -1.914
  182    H1     G  17           H1         G  17 -13.555  -6.142   1.792
  183   1H2     G  17          1H2         G  17 -12.788  -7.692   3.168
  184   2H2     G  17          2H2         G  17 -11.107  -8.179   3.178
  185   1H5*    G  18          1H5*        G  18  -7.029 -10.301  -1.255
  186   2H5*    G  18          2H5*        G  18  -7.378 -11.623  -2.398
  187    H4*    G  18           H4*        G  18  -8.451 -11.921  -0.167
  188    H3*    G  18           H3*        G  18 -10.318 -11.512  -2.515
  189    H2*    G  18           H2*        G  18 -12.140 -11.964  -1.043
  190   2HO*    G  18          2HO*        G  18 -11.742 -12.788   1.065
  191    H1*    G  18           H1*        G  18 -10.987 -10.565   1.106
  192    H8     G  18           H8         G  18 -10.591  -8.507  -2.030
  193    H1     G  18           H1         G  18 -16.465  -8.143   0.498
  194   1H2     G  18          1H2         G  18 -16.717  -9.681   2.067
  195   2H2     G  18          2H2         G  18 -15.440 -10.797   2.493
  196   1H5*    G  19          1H5*        G  19 -12.393 -15.305  -4.751
  197   2H5*    G  19          2H5*        G  19 -12.453 -13.524  -4.873
  198    H4*    G  19           H4*        G  19 -14.177 -15.242  -3.062
  199    H3*    G  19           H3*        G  19 -14.831 -13.746  -5.612
  200    H2*    G  19           H2*        G  19 -17.048 -13.450  -4.761
  201   2HO*    G  19          2HO*        G  19 -17.628 -14.514  -2.763
  202    H1*    G  19           H1*        G  19 -16.172 -12.896  -2.184
  203    H8     G  19           H8         G  19 -14.512 -11.530  -5.428
  204    H1     G  19           H1         G  19 -18.408  -7.478  -2.374
  205   1H2     G  19          1H2         G  19 -19.333  -8.477  -0.642
  206   2H2     G  19          2H2         G  19 -18.989 -10.141  -0.229
  207   1H5*    U  20          1H5*        U  20 -16.914 -14.532  -8.862
  208   2H5*    U  20          2H5*        U  20 -17.486 -13.065  -8.047
  209    H4*    U  20           H4*        U  20 -19.159 -14.686  -9.341
  210    H3*    U  20           H3*        U  20 -19.694 -13.374  -6.671
  211    H2*    U  20           H2*        U  20 -21.836 -14.389  -6.628
  212   2HO*    U  20          2HO*        U  20 -22.287 -13.852  -8.897
  213    H1*    U  20           H1*        U  20 -20.990 -16.766  -7.902
  214    H3     U  20           H3         U  20 -21.547 -19.000  -4.082
  215    H5     U  20           H5         U  20 -19.669 -15.467  -2.789
  216    H6     U  20           H6         U  20 -19.614 -14.718  -5.087
  217   1H5*    G  21          1H5*        G  21 -20.294  -9.944  -5.157
  218   2H5*    G  21          2H5*        G  21 -20.145 -11.714  -5.325
  219    H4*    G  21           H4*        G  21 -22.917 -10.792  -5.369
  220    H3*    G  21           H3*        G  21 -21.207 -10.095  -2.993
  221    H2*    G  21           H2*        G  21 -22.851 -10.922  -1.485
  222   2HO*    G  21          2HO*        G  21 -24.732 -10.165  -2.575
  223    H1*    G  21           H1*        G  21 -23.331 -13.212  -2.787
  224    H8     G  21           H8         G  21 -19.703 -12.223  -3.399
  225    H1     G  21           H1         G  21 -20.645 -15.346   2.096
  226   1H2     G  21          1H2         G  21 -22.810 -15.577   2.484
  227   2H2     G  21          2H2         G  21 -24.024 -14.954   1.394
  228   1H5*    A  22          1H5*        A  22 -24.909  -7.919  -2.345
  229   2H5*    A  22          2H5*        A  22 -24.748  -6.569  -1.190
  230    H4*    A  22           H4*        A  22 -26.159  -8.514  -0.400
  231    H3*    A  22           H3*        A  22 -23.682  -7.823   1.190
  232    H2*    A  22           H2*        A  22 -24.445  -9.402   2.841
  233   2HO*    A  22          2HO*        A  22 -26.743  -8.923   2.561
  234    H1*    A  22           H1*        A  22 -24.956 -11.313   0.942
  235    H8     A  22           H8         A  22 -21.976  -9.494  -0.391
  236   1H6     A  22          1H6         A  22 -18.481 -12.758   3.515
  237   2H6     A  22          2H6         A  22 -18.471 -11.680   2.137
  238    H2     A  22           H2         A  22 -22.766 -13.367   4.625
  239   1H5*    C  23          1H5*        C  23 -24.878  -7.435   3.809
  240   2H5*    C  23          2H5*        C  23 -24.351  -6.221   4.999
  241    H4*    C  23           H4*        C  23 -23.184  -8.466   5.112
  242    H3*    C  23           H3*        C  23 -21.501  -6.010   4.575
  243    H2*    C  23           H2*        C  23 -19.575  -7.413   4.840
  244   2HO*    C  23          2HO*        C  23 -21.432  -9.457   5.605
  245    H1*    C  23           H1*        C  23 -20.649  -9.457   3.317
  246   1H4     C  23          1H4         C  23 -17.172  -5.872  -0.663
  247   2H4     C  23          2H4         C  23 -18.560  -4.849  -0.969
  248    H5     C  23           H5         C  23 -20.684  -5.088   0.246
  249    H6     C  23           H6         C  23 -21.853  -6.356   1.948
  250   1H5*    C  24          1H5*        C  24 -19.989  -8.001   8.021
  251   2H5*    C  24          2H5*        C  24 -19.251  -6.863   9.181
  252    H4*    C  24           H4*        C  24 -17.722  -8.696   8.400
  253    H3*    C  24           H3*        C  24 -16.929  -5.866   7.667
  254    H2*    C  24           H2*        C  24 -14.844  -6.784   6.912
  255   2HO*    C  24          2HO*        C  24 -15.770  -9.259   8.019
  256    H1*    C  24           H1*        C  24 -16.069  -8.951   5.672
  257   1H4     C  24          1H4         C  24 -15.216  -4.590   1.093
  258   2H4     C  24          2H4         C  24 -16.656  -3.738   1.600
  259    H5     C  24           H5         C  24 -17.950  -4.378   3.583
  260    H6     C  24           H6         C  24 -18.094  -5.940   5.418
  261   1H5*    G  25          1H5*        G  25 -13.788  -7.728   9.709
  262   2H5*    G  25          2H5*        G  25 -12.817  -6.618  10.706
  263    H4*    G  25           H4*        G  25 -11.524  -7.936   8.985
  264    H3*    G  25           H3*        G  25 -11.504  -4.916   8.796
  265    H2*    G  25           H2*        G  25  -9.887  -5.124   7.037
  266   2HO*    G  25          2HO*        G  25  -9.056  -7.192   6.492
  267    H1*    G  25           H1*        G  25 -11.276  -7.090   5.738
  268    H8     G  25           H8         G  25 -14.040  -4.996   7.080
  269    H1     G  25           H1         G  25 -10.930  -2.052   2.317
  270   1H2     G  25          1H2         G  25  -9.033  -3.101   1.887
  271   2H2     G  25          2H2         G  25  -8.536  -4.531   2.764
  272   1H5*    U  26          1H5*        U  26  -7.610  -5.806   8.490
  273   2H5*    U  26          2H5*        U  26  -6.568  -4.679   9.398
  274    H4*    U  26           H4*        U  26  -6.211  -4.830   6.866
  275    H3*    U  26           H3*        U  26  -6.777  -2.167   8.181
  276    H2*    U  26           H2*        U  26  -6.441  -1.112   6.068
  277   2HO*    U  26          2HO*        U  26  -5.490  -3.665   5.175
  278    H1*    U  26           H1*        U  26  -7.738  -3.114   4.618
  279    H3     U  26           H3         U  26  -9.883   1.052   4.655
  280    H5     U  26           H5         U  26 -11.757  -1.393   7.527
  281    H6     U  26           H6         U  26  -9.934  -2.968   7.278
  282   1H5*    G  27          1H5*        G  27  -3.156  -2.508   5.822
  283   2H5*    G  27          2H5*        G  27  -1.874  -1.326   6.186
  284    H4*    G  27           H4*        G  27  -3.294  -1.588   3.791
  285    H3*    G  27           H3*        G  27  -1.038  -0.208   4.476
  286    H2*    G  27           H2*        G  27  -2.222   1.550   5.592
  287   2HO*    G  27          2HO*        G  27  -0.899   2.551   4.030
  288    H1*    G  27           H1*        G  27  -4.152   1.611   3.258
  289    H8     G  27           H8         G  27  -4.512   1.334   7.094
  290    H1     G  27           H1         G  27  -7.222   6.489   4.461
  291   1H2     G  27          1H2         G  27  -6.766   6.573   2.304
  292   2H2     G  27          2H2         G  27  -5.798   5.350   1.512
  293   1H5*    G  28          1H5*        G  28  -1.988   3.153   0.281
  294   2H5*    G  28          2H5*        G  28  -1.753   1.496  -0.331
  295    H4*    G  28           H4*        G  28  -0.547   3.078  -1.721
  296    H3*    G  28           H3*        G  28   1.212   1.351   0.017
  297    H2*    G  28           H2*        G  28   3.140   2.376  -0.917
  298   2HO*    G  28          2HO*        G  28   2.988   3.759  -2.692
  299    H1*    G  28           H1*        G  28   2.215   4.901  -0.709
  300    H8     G  28           H8         G  28   0.752   3.118   2.273
  301    H1     G  28           H1         G  28   6.923   4.610   3.019
  302   1H2     G  28          1H2         G  28   7.795   5.263   1.100
  303   2H2     G  28          2H2         G  28   6.855   5.338  -0.374
  304   1H5*    U  29          1H5*        U  29   2.676   1.200  -4.001
  305   2H5*    U  29          2H5*        U  29   3.203  -0.447  -4.440
  306    H4*    U  29           H4*        U  29   4.948   1.258  -4.868
  307    H3*    U  29           H3*        U  29   5.560  -0.709  -2.650
  308    H2*    U  29           H2*        U  29   7.731   0.237  -2.530
  309   2HO*    U  29          2HO*        U  29   8.487   1.651  -4.150
  310    H1*    U  29           H1*        U  29   6.843   2.848  -2.986
  311    H3     U  29           H3         U  29   8.667   2.526   1.281
  312    H5     U  29           H5         U  29   4.720   1.083   1.615
  313    H6     U  29           H6         U  29   4.554   1.175  -0.786
  314   1H5*    C  30          1H5*        C  30   8.896  -0.688  -5.295
  315   2H5*    C  30          2H5*        C  30   9.741  -2.257  -5.242
  316    H4*    C  30           H4*        C  30  10.987  -0.096  -4.457
  317    H3*    C  30           H3*        C  30  10.935  -2.660  -2.858
  318    H2*    C  30           H2*        C  30  12.381  -1.644  -1.253
  319   2HO*    C  30          2HO*        C  30  13.374   0.362  -1.690
  320    H1*    C  30           H1*        C  30  11.096   0.813  -1.308
  321   1H4     C  30          1H4         C  30   8.758  -2.587   3.627
  322   2H4     C  30          2H4         C  30   7.331  -2.890   2.667
  323    H5     C  30           H5         C  30   7.148  -2.256   0.311
  324    H6     C  30           H6         C  30   8.308  -1.241  -1.542
  325   1H5*    C  31          1H5*        C  31  14.869  -1.664  -2.758
  326   2H5*    C  31          2H5*        C  31  15.898  -3.027  -3.275
  327    H4*    C  31           H4*        C  31  16.645  -2.206  -1.111
  328    H3*    C  31           H3*        C  31  15.201  -4.861  -0.956
  329    H2*    C  31           H2*        C  31  15.764  -4.954   1.370
  330   2HO*    C  31          2HO*        C  31  17.102  -3.258   2.258
  331    H1*    C  31           H1*        C  31  15.087  -2.332   1.834
  332   1H4     C  31          1H4         C  31   9.813  -5.728   3.032
  333   2H4     C  31          2H4         C  31   9.308  -5.533   1.369
  334    H5     C  31           H5         C  31  10.726  -4.485  -0.338
  335    H6     C  31           H6         C  31  12.871  -3.450  -0.733
  336   1H5*    U  32          1H5*        U  32  18.140  -5.836   1.449
  337   2H5*    U  32          2H5*        U  32  19.143  -7.052   0.620
  338    H4*    U  32           H4*        U  32  18.767  -7.950   2.754
  339    H3*    U  32           H3*        U  32  16.703  -9.114   0.879
  340    H2*    U  32           H2*        U  32  15.973 -10.496   2.671
  341   2HO*    U  32          2HO*        U  32  17.119 -10.536   4.642
  342    H1*    U  32           H1*        U  32  15.959  -8.509   4.500
  343    H3     U  32           H3         U  32  11.663  -9.435   3.489
  344    H5     U  32           H5         U  32  12.892  -6.782   0.481
  345    H6     U  32           H6         U  32  15.182  -6.997   1.322
  346   1H5*    C  33          1H5*        C  33  18.538 -12.257   3.137
  347   2H5*    C  33          2H5*        C  33  18.600 -13.766   2.192
  348    H4*    C  33           H4*        C  33  17.408 -13.978   4.386
  349    H3*    C  33           H3*        C  33  15.730 -14.411   1.902
  350    H2*    C  33           H2*        C  33  13.982 -15.135   3.358
  351   2HO*    C  33          2HO*        C  33  15.910 -14.914   5.459
  352    H1*    C  33           H1*        C  33  14.376 -13.086   5.159
  353   1H4     C  33          1H4         C  33   9.811 -11.084   1.173
  354   2H4     C  33          2H4         C  33  11.019 -10.521   0.039
  355    H5     C  33           H5         C  33  13.432 -10.904   0.356
  356    H6     C  33           H6         C  33  15.082 -11.906   1.809
  357   1H5*    C  34          1H5*        C  34  15.157 -17.693   4.638
  358   2H5*    C  34          2H5*        C  34  14.973 -19.186   3.690
  359    H4*    C  34           H4*        C  34  13.105 -18.704   5.316
  360    H3*    C  34           H3*        C  34  12.429 -18.891   2.371
  361    H2*    C  34           H2*        C  34  10.122 -18.739   2.966
  362   2HO*    C  34          2HO*        C  34  11.037 -19.070   5.664
  363    H1*    C  34           H1*        C  34  10.545 -16.793   4.922
  364   1H4     C  34          1H4         C  34   8.722 -13.696  -0.359
  365   2H4     C  34          2H4         C  34  10.387 -13.610  -0.893
  366    H5     C  34           H5         C  34  12.231 -14.739   0.286
  367    H6     C  34           H6         C  34  12.785 -16.134   2.180
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  -2.607 -12.153   4.615
    2   2H5*    G   1          2H5*        G   1  -1.466 -12.471   3.309
    3    H4*    G   1           H4*        G   1  -1.860 -14.221   5.747
    4    H3*    G   1           H3*        G   1   0.316 -12.228   5.071
    5    H2*    G   1           H2*        G   1   1.838 -13.606   6.287
    6   2HO*    G   1          2HO*        G   1   1.126 -15.296   7.570
    7    H1*    G   1           H1*        G   1   0.919 -15.940   5.189
    8    H8     G   1           H8         G   1   0.801 -13.372   2.453
    9    H1     G   1           H1         G   1   6.735 -15.440   3.630
   10   1H2     G   1          1H2         G   1   6.779 -16.610   5.507
   11   2H2     G   1          2H2         G   1   5.341 -16.889   6.464
   12   1H5*    G   2          1H5*        G   2   0.764 -13.099   9.233
   13   2H5*    G   2          2H5*        G   2   1.332 -11.640  10.090
   14    H4*    G   2           H4*        G   2   2.799 -13.733  10.253
   15    H3*    G   2           H3*        G   2   3.987 -11.161   9.181
   16    H2*    G   2           H2*        G   2   6.110 -12.257   9.194
   17   2HO*    G   2          2HO*        G   2   6.415 -14.210  10.269
   18    H1*    G   2           H1*        G   2   5.069 -14.687   8.283
   19    H8     G   2           H8         G   2   3.402 -12.308   6.029
   20    H1     G   2           H1         G   2   9.671 -12.632   4.781
   21   1H2     G   2          1H2         G   2  10.730 -13.651   6.433
   22   2H2     G   2          2H2         G   2   9.893 -14.256   7.845
   23   1H5*    A   3          1H5*        A   3   6.526 -12.316  12.622
   24   2H5*    A   3          2H5*        A   3   6.697 -10.818  13.578
   25    H4*    A   3           H4*        A   3   8.882 -11.818  13.256
   26    H3*    A   3           H3*        A   3   8.478  -9.394  11.486
   27    H2*    A   3           H2*        A   3  10.817  -9.572  10.914
   28   2HO*    A   3          2HO*        A   3  12.090 -11.196  11.929
   29    H1*    A   3           H1*        A   3  10.629 -12.260  10.422
   30    H8     A   3           H8         A   3   7.308 -10.787   9.403
   31   1H6     A   3          1H6         A   3  10.038  -9.100   4.108
   32   2H6     A   3          2H6         A   3   8.511  -9.255   4.949
   33    H2     A   3           H2         A   3  13.197 -10.502   6.970
   34   1H5*    G   4          1H5*        G   4  11.943  -8.507  13.626
   35   2H5*    G   4          2H5*        G   4  11.978  -6.808  14.163
   36    H4*    G   4           H4*        G   4  14.002  -7.417  12.895
   37    H3*    G   4           H3*        G   4  12.167  -5.495  11.441
   38    H2*    G   4           H2*        G   4  13.914  -5.268   9.802
   39   2HO*    G   4          2HO*        G   4  15.721  -5.369  11.264
   40    H1*    G   4           H1*        G   4  14.303  -7.978   9.635
   41    H8     G   4           H8         G   4  10.634  -7.599  10.250
   42    H1     G   4           H1         G   4  12.315  -6.033   4.285
   43   1H2     G   4          1H2         G   4  14.513  -5.859   4.137
   44   2H2     G   4          2H2         G   4  15.564  -6.140   5.505
   45   1H5*    G   5          1H5*        G   5  15.959  -3.050  11.616
   46   2H5*    G   5          2H5*        G   5  15.338  -1.460  12.133
   47    H4*    G   5           H4*        G   5  16.778  -1.385  10.080
   48    H3*    G   5           H3*        G   5  13.883  -0.552   9.741
   49    H2*    G   5           H2*        G   5  14.459   0.145   7.513
   50   2HO*    G   5          2HO*        G   5  16.646   0.073   6.833
   51    H1*    G   5           H1*        G   5  15.874  -2.154   6.987
   52    H8     G   5           H8         G   5  13.061  -3.400   9.088
   53    H1     G   5           H1         G   5  11.116  -1.712   3.231
   54   1H2     G   5          1H2         G   5  12.710  -0.582   2.189
   55   2H2     G   5          2H2         G   5  14.247  -0.233   2.947
   56   1H5*    A   6          1H5*        A   6  16.533   2.877   8.395
   57   2H5*    A   6          2H5*        A   6  15.576   4.359   8.660
   58    H4*    A   6           H4*        A   6  16.482   3.840   6.271
   59    H3*    A   6           H3*        A   6  13.574   4.534   6.754
   60    H2*    A   6           H2*        A   6  13.295   4.556   4.382
   61   2HO*    A   6          2HO*        A   6  15.120   4.416   3.005
   62    H1*    A   6           H1*        A   6  14.882   2.319   3.981
   63    H8     A   6           H8         A   6  12.777   1.443   6.934
   64   1H6     A   6          1H6         A   6   8.110   0.385   3.025
   65   2H6     A   6          2H6         A   6   8.684   0.190   4.663
   66    H2     A   6           H2         A   6  11.386   2.500   0.785
   67   1H5*    C   7          1H5*        C   7  15.042   7.016   3.596
   68   2H5*    C   7          2H5*        C   7  14.216   8.595   3.638
   69    H4*    C   7           H4*        C   7  13.983   7.265   1.484
   70    H3*    C   7           H3*        C   7  11.471   8.010   2.989
   71    H2*    C   7           H2*        C   7  10.228   7.200   1.093
   72   2HO*    C   7          2HO*        C   7  11.622   7.958  -0.580
   73    H1*    C   7           H1*        C   7  11.774   4.933   0.865
   74   1H4     C   7          1H4         C   7   6.812   3.426   4.613
   75   2H4     C   7          2H4         C   7   7.782   3.795   6.022
   76    H5     C   7           H5         C   7  10.025   4.788   5.877
   77    H6     C   7           H6         C   7  11.712   5.596   4.350
   78   1H5*    A   8          1H5*        A   8   9.890  11.070  -1.187
   79   2H5*    A   8          2H5*        A   8   8.876  11.399   0.243
   80    H4*    A   8           H4*        A   8   8.195   9.965  -2.125
   81    H3*    A   8           H3*        A   8   6.754  10.462   0.487
   82    H2*    A   8           H2*        A   8   5.042   8.923  -0.216
   83   2HO*    A   8          2HO*        A   8   6.515   8.766  -2.668
   84    H1*    A   8           H1*        A   8   6.778   6.995  -0.921
   85    H8     A   8           H8         A   8   8.890   8.246   1.733
   86   1H6     A   8          1H6         A   8   4.870   6.172   5.952
   87   2H6     A   8          2H6         A   8   6.493   6.766   5.688
   88    H2     A   8           H2         A   8   2.849   6.182   1.957
   89   1H5*    U   9          1H5*        U   9   4.095  10.302  -1.980
   90   2H5*    U   9          2H5*        U   9   2.961  11.642  -2.301
   91    H4*    U   9           H4*        U   9   1.834   9.461  -2.000
   92    H3*    U   9           H3*        U   9   1.153  11.825  -0.444
   93    H2*    U   9           H2*        U   9   0.733  10.764   1.588
   94   2HO*    U   9          2HO*        U   9  -0.909   9.393   1.732
   95    H1*    U   9           H1*        U   9   1.235   8.024   0.889
   96    H3     U   9           H3         U   9   2.071   8.662   5.377
   97    H5     U   9           H5         U   9   5.415  10.178   3.327
   98    H6     U   9           H6         U   9   4.180   9.929   1.264
   99   1H5*    U  10          1H5*        U  10  -2.978   9.884   0.407
  100   2H5*    U  10          2H5*        U  10  -3.873  10.956  -0.702
  101    H4*    U  10           H4*        U  10  -4.673  10.862   1.743
  102    H3*    U  10           H3*        U  10  -4.875  12.998   0.030
  103    H2*    U  10           H2*        U  10  -2.669  13.835   0.630
  104   2HO*    U  10          2HO*        U  10  -4.341  15.497   0.921
  105    H1*    U  10           H1*        U  10  -3.514  13.454   3.509
  106    H3     U  10           H3         U  10   0.375  14.796   5.336
  107    H5     U  10           H5         U  10   1.587  13.174   1.643
  108    H6     U  10           H6         U  10  -0.727  12.717   1.160
  109   1H5*    C  11          1H5*        C  11  -7.924  15.009   4.375
  110   2H5*    C  11          2H5*        C  11  -6.422  14.100   4.054
  111    H4*    C  11           H4*        C  11  -9.048  12.891   4.970
  112    H3*    C  11           H3*        C  11  -7.126  14.177   6.644
  113    H2*    C  11           H2*        C  11  -5.519  12.459   6.408
  114   2HO*    C  11          2HO*        C  11  -7.312  11.536   8.390
  115    H1*    C  11           H1*        C  11  -7.797  10.480   6.192
  116   1H4     C  11          1H4         C  11  -3.187   6.379   4.650
  117   2H4     C  11          2H4         C  11  -2.234   7.634   3.893
  118    H5     C  11           H5         C  11  -2.948   9.981   3.812
  119    H6     C  11           H6         C  11  -4.696  11.530   4.435
  120   1H5*    C  12          1H5*        C  12 -10.998  12.906   6.299
  121   2H5*    C  12          2H5*        C  12 -11.867  14.464   6.491
  122    H4*    C  12           H4*        C  12 -13.552  12.839   6.387
  123    H3*    C  12           H3*        C  12 -13.584  14.254   8.674
  124    H2*    C  12           H2*        C  12 -12.122  12.789   9.891
  125   2HO*    C  12          2HO*        C  12 -14.059  12.978  11.115
  126    H1*    C  12           H1*        C  12 -13.626  10.344   8.917
  127   1H4     C  12          1H4         C  12  -8.308   7.760  11.345
  128   2H4     C  12          2H4         C  12  -7.352   8.550  10.113
  129    H5     C  12           H5         C  12  -8.306  10.151   8.504
  130    H6     C  12           H6         C  12 -10.334  11.261   7.823
  131   1H5*    U  13          1H5*        U  13 -17.253  10.668   5.867
  132   2H5*    U  13          2H5*        U  13 -15.969  10.857   7.088
  133    H4*    U  13           H4*        U  13 -15.330  12.500   4.830
  134    H3*    U  13           H3*        U  13 -16.732  10.437   3.693
  135    H2*    U  13           H2*        U  13 -15.446   8.751   4.826
  136   2HO*    U  13          2HO*        U  13 -15.305   8.547   2.424
  137    H1*    U  13           H1*        U  13 -12.980  10.337   4.068
  138    H3     U  13           H3         U  13 -10.104   8.561   7.250
  139    H5     U  13           H5         U  13 -13.523   6.100   7.267
  140    H6     U  13           H6         U  13 -14.585   7.645   5.828
  141   1H5*    C  14          1H5*        C  14 -12.914  12.226   1.144
  142   2H5*    C  14          2H5*        C  14 -12.926  11.666  -0.549
  143    H4*    C  14           H4*        C  14 -10.652  11.641   0.367
  144    H3*    C  14           H3*        C  14 -11.761   8.842   0.043
  145    H2*    C  14           H2*        C  14  -9.538   8.086   0.523
  146   2HO*    C  14          2HO*        C  14  -7.799   9.611   0.592
  147    H1*    C  14           H1*        C  14  -9.104  10.148   2.433
  148   1H4     C  14          1H4         C  14 -10.100   4.917   5.901
  149   2H4     C  14          2H4         C  14 -11.801   4.919   5.484
  150    H5     C  14           H5         C  14 -12.788   6.519   3.907
  151    H6     C  14           H6         C  14 -12.310   8.394   2.469
  152   1H5*    A  15          1H5*        A  15  -8.322   8.631  -1.837
  153   2H5*    A  15          2H5*        A  15  -8.411   7.804  -3.411
  154    H4*    A  15           H4*        A  15  -6.761   6.735  -1.984
  155    H3*    A  15           H3*        A  15  -9.276   5.087  -2.295
  156    H2*    A  15           H2*        A  15  -8.152   3.319  -1.120
  157   2HO*    A  15          2HO*        A  15  -5.941   3.432  -0.713
  158    H1*    A  15           H1*        A  15  -7.085   5.059   0.770
  159    H8     A  15           H8         A  15 -10.636   5.973  -0.265
  160   1H6     A  15          1H6         A  15 -12.384   2.087   4.324
  161   2H6     A  15          2H6         A  15 -12.964   3.271   3.166
  162    H2     A  15           H2         A  15  -7.903   1.803   3.669
  163   1H5*    C  16          1H5*        C  16  -6.045   2.760  -3.892
  164   2H5*    C  16          2H5*        C  16  -6.570   1.706  -5.232
  165    H4*    C  16           H4*        C  16  -5.483   0.543  -3.264
  166    H3*    C  16           H3*        C  16  -8.320  -0.202  -4.009
  167    H2*    C  16           H2*        C  16  -8.206  -1.932  -2.370
  168   2HO*    C  16          2HO*        C  16  -6.223  -2.514  -1.427
  169    H1*    C  16           H1*        C  16  -6.766  -0.363  -0.548
  170   1H4     C  16          1H4         C  16 -12.839  -0.356   1.402
  171   2H4     C  16          2H4         C  16 -13.133   1.095   0.464
  172    H5     C  16           H5         C  16 -11.460   2.059  -1.069
  173    H6     C  16           H6         C  16  -9.223   1.789  -1.955
  174   1H5*    G  17          1H5*        G  17  -5.363  -3.497  -4.104
  175   2H5*    G  17          2H5*        G  17  -5.718  -4.633  -5.431
  176    H4*    G  17           H4*        G  17  -5.204  -5.812  -3.336
  177    H3*    G  17           H3*        G  17  -8.080  -6.016  -4.254
  178    H2*    G  17           H2*        G  17  -8.492  -7.539  -2.442
  179   2HO*    G  17          2HO*        G  17  -6.761  -8.278  -1.153
  180    H1*    G  17           H1*        G  17  -7.186  -6.001  -0.593
  181    H8     G  17           H8         G  17  -8.825  -3.664  -3.080
  182    H1     G  17           H1         G  17 -12.879  -5.931   1.305
  183   1H2     G  17          1H2         G  17 -11.934  -7.560   2.461
  184   2H2     G  17          2H2         G  17 -10.294  -8.088   2.154
  185   1H5*    G  18          1H5*        G  18  -7.024  -9.876  -3.514
  186   2H5*    G  18          2H5*        G  18  -7.594 -11.002  -4.774
  187    H4*    G  18           H4*        G  18  -8.377 -11.608  -2.495
  188    H3*    G  18           H3*        G  18 -10.511 -10.749  -4.461
  189    H2*    G  18           H2*        G  18 -12.155 -11.339  -2.831
  190   2HO*    G  18          2HO*        G  18 -11.127 -13.310  -2.128
  191    H1*    G  18           H1*        G  18 -10.678 -10.306  -0.691
  192    H8     G  18           H8         G  18 -10.534  -7.970  -3.690
  193    H1     G  18           H1         G  18 -15.833  -7.305  -0.157
  194   1H2     G  18          1H2         G  18 -15.974  -8.937   1.325
  195   2H2     G  18          2H2         G  18 -14.764 -10.196   1.444
  196   1H5*    G  19          1H5*        G  19 -13.224 -14.372  -6.537
  197   2H5*    G  19          2H5*        G  19 -13.305 -12.589  -6.597
  198    H4*    G  19           H4*        G  19 -14.662 -14.403  -4.580
  199    H3*    G  19           H3*        G  19 -15.747 -12.671  -6.814
  200    H2*    G  19           H2*        G  19 -17.751 -12.399  -5.524
  201   2HO*    G  19          2HO*        G  19 -17.999 -13.567  -3.558
  202    H1*    G  19           H1*        G  19 -16.381 -11.919  -3.187
  203    H8     G  19           H8         G  19 -15.165 -10.682  -6.682
  204    H1     G  19           H1         G  19 -18.123  -6.304  -3.074
  205   1H2     G  19          1H2         G  19 -18.827  -7.213  -1.197
  206   2H2     G  19          2H2         G  19 -18.570  -8.901  -0.822
  207   1H5*    U  20          1H5*        U  20 -17.665 -12.625  -9.336
  208   2H5*    U  20          2H5*        U  20 -17.789 -13.152  -7.641
  209    H4*    U  20           H4*        U  20 -19.659 -13.786  -9.934
  210    H3*    U  20           H3*        U  20 -20.040 -12.462  -7.238
  211    H2*    U  20           H2*        U  20 -22.309 -13.181  -7.288
  212   2HO*    U  20          2HO*        U  20 -22.708 -12.639  -9.514
  213    H1*    U  20           H1*        U  20 -21.693 -15.657  -8.478
  214    H3     U  20           H3         U  20 -22.557 -17.683  -4.599
  215    H5     U  20           H5         U  20 -20.260 -14.377  -3.385
  216    H6     U  20           H6         U  20 -20.089 -13.719  -5.711
  217   1H5*    G  21          1H5*        G  21 -21.073  -8.145  -6.643
  218   2H5*    G  21          2H5*        G  21 -20.115  -8.900  -5.339
  219    H4*    G  21           H4*        G  21 -23.067  -9.008  -5.862
  220    H3*    G  21           H3*        G  21 -21.323  -8.664  -3.423
  221    H2*    G  21           H2*        G  21 -23.072  -9.547  -2.057
  222   2HO*    G  21          2HO*        G  21 -24.836  -8.519  -3.187
  223    H1*    G  21           H1*        G  21 -23.633 -11.629  -3.677
  224    H8     G  21           H8         G  21 -19.915 -10.859  -3.891
  225    H1     G  21           H1         G  21 -21.516 -14.544   1.080
  226   1H2     G  21          1H2         G  21 -23.716 -14.639   1.286
  227   2H2     G  21          2H2         G  21 -24.791 -13.795   0.197
  228   1H5*    A  22          1H5*        A  22 -24.763  -6.545  -2.333
  229   2H5*    A  22          2H5*        A  22 -24.476  -5.218  -1.173
  230    H4*    A  22           H4*        A  22 -25.827  -7.058  -0.204
  231    H3*    A  22           H3*        A  22 -23.062  -6.711   0.968
  232    H2*    A  22           H2*        A  22 -23.669  -8.349   2.631
  233   2HO*    A  22          2HO*        A  22 -25.926  -7.686   2.804
  234    H1*    A  22           H1*        A  22 -24.644 -10.076   0.756
  235    H8     A  22           H8         A  22 -21.898  -8.401  -1.095
  236   1H6     A  22          1H6         A  22 -17.836 -11.907   1.919
  237   2H6     A  22          2H6         A  22 -18.072 -10.803   0.585
  238    H2     A  22           H2         A  22 -21.785 -12.333   3.942
  239   1H5*    C  23          1H5*        C  23 -23.981  -6.464   3.787
  240   2H5*    C  23          2H5*        C  23 -23.196  -5.498   5.058
  241    H4*    C  23           H4*        C  23 -22.342  -7.888   4.660
  242    H3*    C  23           H3*        C  23 -20.435  -5.545   4.565
  243    H2*    C  23           H2*        C  23 -18.648  -7.136   4.407
  244   2HO*    C  23          2HO*        C  23 -19.068  -9.364   4.665
  245    H1*    C  23           H1*        C  23 -19.991  -8.723   2.571
  246   1H4     C  23          1H4         C  23 -16.318  -4.781  -0.847
  247   2H4     C  23          2H4         C  23 -17.618  -3.610  -0.900
  248    H5     C  23           H5         C  23 -19.715  -3.891   0.357
  249    H6     C  23           H6         C  23 -20.932  -5.342   1.863
  250   1H5*    C  24          1H5*        C  24 -18.982  -8.272   7.437
  251   2H5*    C  24          2H5*        C  24 -18.198  -7.455   8.816
  252    H4*    C  24           H4*        C  24 -16.716  -9.100   7.693
  253    H3*    C  24           H3*        C  24 -15.876  -6.204   7.409
  254    H2*    C  24           H2*        C  24 -13.834  -7.023   6.453
  255   2HO*    C  24          2HO*        C  24 -13.303  -9.199   6.529
  256    H1*    C  24           H1*        C  24 -15.143  -8.912   4.894
  257   1H4     C  24          1H4         C  24 -14.368  -3.825   1.123
  258   2H4     C  24          2H4         C  24 -15.760  -3.045   1.842
  259    H5     C  24           H5         C  24 -16.991  -4.001   3.734
  260    H6     C  24           H6         C  24 -17.103  -5.864   5.265
  261   1H5*    G  25          1H5*        G  25 -12.707  -8.345   9.080
  262   2H5*    G  25          2H5*        G  25 -11.756  -7.406  10.257
  263    H4*    G  25           H4*        G  25 -10.382  -8.352   8.414
  264    H3*    G  25           H3*        G  25 -10.599  -5.336   8.496
  265    H2*    G  25           H2*        G  25  -8.975  -5.266   6.740
  266   2HO*    G  25          2HO*        G  25  -7.995  -7.247   6.033
  267    H1*    G  25           H1*        G  25 -10.162  -7.291   5.302
  268    H8     G  25           H8         G  25 -12.978  -5.291   6.791
  269    H1     G  25           H1         G  25 -10.225  -2.363   1.796
  270   1H2     G  25          1H2         G  25  -8.342  -3.404   1.262
  271   2H2     G  25          2H2         G  25  -7.769  -4.809   2.130
  272   1H5*    U  26          1H5*        U  26  -6.559  -6.034   8.228
  273   2H5*    U  26          2H5*        U  26  -5.613  -4.829   9.141
  274    H4*    U  26           H4*        U  26  -5.237  -4.947   6.605
  275    H3*    U  26           H3*        U  26  -6.027  -2.337   7.915
  276    H2*    U  26           H2*        U  26  -5.757  -1.271   5.796
  277   2HO*    U  26          2HO*        U  26  -4.700  -2.290   4.093
  278    H1*    U  26           H1*        U  26  -6.848  -3.404   4.346
  279    H3     U  26           H3         U  26  -9.507   0.354   3.974
  280    H5     U  26           H5         U  26 -10.869  -1.708   7.381
  281    H6     U  26           H6         U  26  -8.919  -3.136   7.216
  282   1H5*    G  27          1H5*        G  27  -2.422  -2.263   5.597
  283   2H5*    G  27          2H5*        G  27  -1.198  -1.074   6.106
  284    H4*    G  27           H4*        G  27  -2.219  -1.138   3.638
  285    H3*    G  27           H3*        G  27  -0.610   0.708   4.855
  286    H2*    G  27           H2*        G  27  -2.401   1.867   5.916
  287   2HO*    G  27          2HO*        G  27  -2.839   3.770   4.586
  288    H1*    G  27           H1*        G  27  -3.949   1.769   3.311
  289    H8     G  27           H8         G  27  -5.000   0.414   6.715
  290    H1     G  27           H1         G  27  -7.988   5.788   5.003
  291   1H2     G  27          1H2         G  27  -7.073   6.628   3.179
  292   2H2     G  27          2H2         G  27  -5.727   5.854   2.371
  293   1H5*    G  28          1H5*        G  28  -1.788   1.962  -0.012
  294   2H5*    G  28          2H5*        G  28  -1.869   0.440  -0.933
  295    H4*    G  28           H4*        G  28  -0.798   1.835  -2.425
  296    H3*    G  28           H3*        G  28   1.300   0.425  -0.791
  297    H2*    G  28           H2*        G  28   3.042   1.671  -1.809
  298   2HO*    G  28          2HO*        G  28   0.996   2.590  -3.579
  299    H1*    G  28           H1*        G  28   1.862   4.068  -1.603
  300    H8     G  28           H8         G  28   0.559   2.279   1.439
  301    H1     G  28           H1         G  28   6.645   4.135   2.077
  302   1H2     G  28          1H2         G  28   7.465   4.781   0.127
  303   2H2     G  28          2H2         G  28   6.509   4.755  -1.339
  304   1H5*    U  29          1H5*        U  29   2.692  -0.162  -4.870
  305   2H5*    U  29          2H5*        U  29   3.477  -1.762  -4.993
  306    H4*    U  29           H4*        U  29   4.935   0.234  -5.554
  307    H3*    U  29           H3*        U  29   5.778  -1.556  -3.262
  308    H2*    U  29           H2*        U  29   7.806  -0.306  -3.176
  309   2HO*    U  29          2HO*        U  29   8.278   1.228  -4.843
  310    H1*    U  29           H1*        U  29   6.526   2.140  -3.689
  311    H3     U  29           H3         U  29   8.433   1.963   0.586
  312    H5     U  29           H5         U  29   4.522   0.423   0.937
  313    H6     U  29           H6         U  29   4.378   0.421  -1.466
  314   1H5*    C  30          1H5*        C  30   9.126  -1.319  -5.741
  315   2H5*    C  30          2H5*        C  30  10.073  -2.829  -5.682
  316    H4*    C  30           H4*        C  30  11.204  -0.655  -4.871
  317    H3*    C  30           H3*        C  30  11.106  -3.108  -3.102
  318    H2*    C  30           H2*        C  30  12.511  -1.942  -1.557
  319   2HO*    C  30          2HO*        C  30  13.417   0.094  -2.151
  320    H1*    C  30           H1*        C  30  11.159   0.472  -1.862
  321   1H4     C  30          1H4         C  30   8.886  -2.532   3.345
  322   2H4     C  30          2H4         C  30   7.470  -2.966   2.412
  323    H5     C  30           H5         C  30   7.286  -2.553   0.000
  324    H6     C  30           H6         C  30   8.435  -1.674  -1.935
  325   1H5*    C  31          1H5*        C  31  15.001  -2.001  -2.813
  326   2H5*    C  31          2H5*        C  31  16.046  -3.371  -3.273
  327    H4*    C  31           H4*        C  31  16.777  -2.496  -1.137
  328    H3*    C  31           H3*        C  31  15.266  -5.104  -0.855
  329    H2*    C  31           H2*        C  31  15.866  -5.096   1.464
  330   2HO*    C  31          2HO*        C  31  18.039  -4.209   1.086
  331    H1*    C  31           H1*        C  31  15.254  -2.427   1.786
  332   1H4     C  31          1H4         C  31   9.956  -5.624   3.331
  333   2H4     C  31          2H4         C  31   9.427  -5.571   1.663
  334    H5     C  31           H5         C  31  10.834  -4.694  -0.154
  335    H6     C  31           H6         C  31  12.987  -3.723  -0.667
  336   1H5*    U  32          1H5*        U  32  18.272  -6.292   1.632
  337   2H5*    U  32          2H5*        U  32  19.168  -7.447   0.613
  338    H4*    U  32           H4*        U  32  18.918  -8.597   2.617
  339    H3*    U  32           H3*        U  32  16.560  -9.374   0.891
  340    H2*    U  32           H2*        U  32  15.942 -10.916   2.579
  341   2HO*    U  32          2HO*        U  32  18.336 -10.151   3.942
  342    H1*    U  32           H1*        U  32  16.267  -9.192   4.602
  343    H3     U  32           H3         U  32  11.862  -9.750   4.018
  344    H5     U  32           H5         U  32  12.876  -6.794   1.235
  345    H6     U  32           H6         U  32  15.248  -7.223   1.743
  346   1H5*    C  33          1H5*        C  33  18.513 -12.932   2.561
  347   2H5*    C  33          2H5*        C  33  18.098 -14.357   1.579
  348    H4*    C  33           H4*        C  33  17.416 -14.368   4.066
  349    H3*    C  33           H3*        C  33  15.308 -14.835   1.939
  350    H2*    C  33           H2*        C  33  13.823 -15.378   3.724
  351   2HO*    C  33          2HO*        C  33  14.604 -15.539   5.872
  352    H1*    C  33           H1*        C  33  14.659 -13.277   5.314
  353   1H4     C  33          1H4         C  33   9.471 -11.241   2.201
  354   2H4     C  33          2H4         C  33  10.469 -10.706   0.865
  355    H5     C  33           H5         C  33  12.894 -11.143   0.746
  356    H6     C  33           H6         C  33  14.755 -12.185   1.888
  357   1H5*    C  34          1H5*        C  34  15.320 -17.958   4.973
  358   2H5*    C  34          2H5*        C  34  14.813 -19.497   4.239
  359    H4*    C  34           H4*        C  34  13.492 -18.747   6.272
  360    H3*    C  34           H3*        C  34  12.031 -19.190   3.657
  361    H2*    C  34           H2*        C  34   9.980 -18.854   4.837
  362   2HO*    C  34          2HO*        C  34  11.606 -18.961   7.197
  363    H1*    C  34           H1*        C  34  10.970 -16.735   6.358
  364   1H4     C  34          1H4         C  34   7.861 -14.165   1.396
  365   2H4     C  34          2H4         C  34   9.335 -14.196   0.453
  366    H5     C  34           H5         C  34  11.409 -15.262   1.244
  367    H6     C  34           H6         C  34  12.413 -16.470   3.076
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  -1.994 -11.814   3.078
    2   2H5*    G   1          2H5*        G   1  -0.778 -11.946   1.808
    3    H4*    G   1           H4*        G   1  -1.382 -14.071   3.876
    4    H3*    G   1           H3*        G   1   0.879 -12.068   3.693
    5    H2*    G   1           H2*        G   1   2.300 -13.690   4.719
    6   2HO*    G   1          2HO*        G   1   1.472 -15.578   5.610
    7    H1*    G   1           H1*        G   1   1.418 -15.755   3.165
    8    H8     G   1           H8         G   1   1.453 -12.728   0.941
    9    H1     G   1           H1         G   1   7.306 -15.079   1.987
   10   1H2     G   1          1H2         G   1   7.251 -16.570   3.618
   11   2H2     G   1          2H2         G   1   5.766 -16.997   4.441
   12   1H5*    G   2          1H5*        G   2   1.054 -13.532   7.789
   13   2H5*    G   2          2H5*        G   2   1.624 -12.192   8.820
   14    H4*    G   2           H4*        G   2   3.032 -14.330   8.810
   15    H3*    G   2           H3*        G   2   4.322 -11.692   8.069
   16    H2*    G   2           H2*        G   2   6.420 -12.840   8.044
   17   2HO*    G   2          2HO*        G   2   6.567 -14.991   8.809
   18    H1*    G   2           H1*        G   2   5.379 -15.090   6.772
   19    H8     G   2           H8         G   2   3.777 -12.357   4.879
   20    H1     G   2           H1         G   2  10.049 -12.641   3.660
   21   1H2     G   2          1H2         G   2  11.065 -13.916   5.152
   22   2H2     G   2          2H2         G   2  10.197 -14.713   6.445
   23   1H5*    A   3          1H5*        A   3   6.789 -13.246  11.375
   24   2H5*    A   3          2H5*        A   3   7.030 -11.848  12.459
   25    H4*    A   3           H4*        A   3   9.165 -12.929  11.929
   26    H3*    A   3           H3*        A   3   8.813 -10.228  10.604
   27    H2*    A   3           H2*        A   3  11.122 -10.393   9.923
   28   2HO*    A   3          2HO*        A   3  11.142 -12.804  11.476
   29    H1*    A   3           H1*        A   3  10.819 -12.957   9.014
   30    H8     A   3           H8         A   3   7.526 -11.297   8.302
   31   1H6     A   3          1H6         A   3  10.189  -8.749   3.331
   32   2H6     A   3          2H6         A   3   8.676  -9.040   4.159
   33    H2     A   3           H2         A   3  13.389 -10.608   5.870
   34   1H5*    G   4          1H5*        G   4  12.429  -9.965  12.636
   35   2H5*    G   4          2H5*        G   4  12.586  -8.420  13.509
   36    H4*    G   4           H4*        G   4  14.532  -8.852  12.066
   37    H3*    G   4           H3*        G   4  12.762  -6.587  11.113
   38    H2*    G   4           H2*        G   4  14.424  -6.127   9.441
   39   2HO*    G   4          2HO*        G   4  16.303  -6.568  10.724
   40    H1*    G   4           H1*        G   4  14.677  -8.761   8.729
   41    H8     G   4           H8         G   4  11.065  -8.412   9.605
   42    H1     G   4           H1         G   4  12.492  -5.708   3.995
   43   1H2     G   4          1H2         G   4  14.681  -5.546   3.757
   44   2H2     G   4          2H2         G   4  15.795  -6.122   4.978
   45   1H5*    G   5          1H5*        G   5  16.673  -4.628  11.293
   46   2H5*    G   5          2H5*        G   5  16.361  -3.061  12.084
   47    H4*    G   5           H4*        G   5  17.543  -2.872   9.888
   48    H3*    G   5           H3*        G   5  14.776  -1.650  10.053
   49    H2*    G   5           H2*        G   5  15.139  -0.745   7.859
   50   2HO*    G   5          2HO*        G   5  17.203  -1.026   6.856
   51    H1*    G   5           H1*        G   5  16.163  -3.096   6.865
   52    H8     G   5           H8         G   5  13.491  -4.219   9.234
   53    H1     G   5           H1         G   5  11.073  -1.766   3.846
   54   1H2     G   5          1H2         G   5  12.655  -0.737   2.689
   55   2H2     G   5          2H2         G   5  14.308  -0.646   3.254
   56   1H5*    A   6          1H5*        A   6  17.721   1.472   8.709
   57   2H5*    A   6          2H5*        A   6  17.094   3.054   9.246
   58    H4*    A   6           H4*        A   6  17.579   2.707   6.724
   59    H3*    A   6           H3*        A   6  14.894   3.732   7.681
   60    H2*    A   6           H2*        A   6  14.320   4.075   5.385
   61   2HO*    A   6          2HO*        A   6  15.899   3.803   3.751
   62    H1*    A   6           H1*        A   6  15.387   1.676   4.559
   63    H8     A   6           H8         A   6  13.680   1.057   7.870
   64   1H6     A   6          1H6         A   6   8.368   0.707   4.732
   65   2H6     A   6          2H6         A   6   9.147   0.435   6.272
   66    H2     A   6           H2         A   6  11.534   2.253   1.956
   67   1H5*    C   7          1H5*        C   7  16.265   6.281   4.597
   68   2H5*    C   7          2H5*        C   7  15.686   7.948   4.846
   69    H4*    C   7           H4*        C   7  14.979   6.806   2.678
   70    H3*    C   7           H3*        C   7  12.837   7.817   4.553
   71    H2*    C   7           H2*        C   7  11.248   7.333   2.816
   72   2HO*    C   7          2HO*        C   7  12.023   6.605   0.762
   73    H1*    C   7           H1*        C   7  12.389   4.882   2.251
   74   1H4     C   7          1H4         C   7   7.716   3.851   6.501
   75   2H4     C   7          2H4         C   7   8.885   3.978   7.798
   76    H5     C   7           H5         C   7  11.227   4.638   7.429
   77    H6     C   7           H6         C   7  12.835   5.298   5.750
   78   1H5*    A   8          1H5*        A   8  11.897   9.548   0.892
   79   2H5*    A   8          2H5*        A   8  11.263  11.203   1.100
   80    H4*    A   8           H4*        A   8   9.686   9.650  -0.064
   81    H3*    A   8           H3*        A   8   8.817  10.768   2.609
   82    H2*    A   8           H2*        A   8   6.673   9.718   2.262
   83   2HO*    A   8          2HO*        A   8   7.754   9.016  -0.302
   84    H1*    A   8           H1*        A   8   7.745   7.340   1.600
   85    H8     A   8           H8         A   8  10.338   8.410   3.963
   86   1H6     A   8          1H6         A   8   6.436   7.306   8.632
   87   2H6     A   8          2H6         A   8   8.100   7.623   8.199
   88    H2     A   8           H2         A   8   4.101   7.310   4.811
   89   1H5*    U   9          1H5*        U   9   5.853  10.930   0.531
   90   2H5*    U   9          2H5*        U   9   5.106  12.486   0.119
   91    H4*    U   9           H4*        U   9   3.421  10.846   0.781
   92    H3*    U   9           H3*        U   9   3.859  13.212   2.559
   93    H2*    U   9           H2*        U   9   2.528  12.357   4.230
   94   2HO*    U   9          2HO*        U   9   0.841  10.884   3.891
   95    H1*    U   9           H1*        U   9   2.822   9.585   3.721
   96    H3     U   9           H3         U   9   3.921  10.369   8.114
   97    H5     U   9           H5         U   9   7.339  11.312   5.861
   98    H6     U   9           H6         U   9   6.006  11.106   3.864
   99   1H5*    U  10          1H5*        U  10   0.286  16.277   1.575
  100   2H5*    U  10          2H5*        U  10   1.337  15.087   2.371
  101    H4*    U  10           H4*        U  10  -0.554  13.737   0.683
  102    H3*    U  10           H3*        U  10  -1.792  16.013   2.090
  103    H2*    U  10           H2*        U  10  -2.080  14.758   4.069
  104   2HO*    U  10          2HO*        U  10  -4.222  14.693   3.191
  105    H1*    U  10           H1*        U  10  -1.903  12.260   2.369
  106    H3     U  10           H3         U  10  -2.635   9.871   6.185
  107    H5     U  10           H5         U  10   0.744  12.214   7.047
  108    H6     U  10           H6         U  10   0.428  13.360   4.926
  109   1H5*    C  11          1H5*        C  11  -5.524  13.802  -0.965
  110   2H5*    C  11          2H5*        C  11  -6.955  14.550  -0.205
  111    H4*    C  11           H4*        C  11  -7.474  12.267  -0.275
  112    H3*    C  11           H3*        C  11  -6.833  13.270   2.387
  113    H2*    C  11           H2*        C  11  -5.293  11.594   2.875
  114   2HO*    C  11          2HO*        C  11  -7.003  10.717   4.024
  115    H1*    C  11           H1*        C  11  -6.431   9.791   0.739
  116   1H4     C  11          1H4         C  11  -0.740   7.020   1.535
  117   2H4     C  11          2H4         C  11   0.071   8.570   1.554
  118    H5     C  11           H5         C  11  -1.135  10.710   1.406
  119    H6     C  11           H6         C  11  -3.321  11.718   1.200
  120   1H5*    C  12          1H5*        C  12 -10.804  10.766   2.695
  121   2H5*    C  12          2H5*        C  12 -12.050  11.738   1.865
  122    H4*    C  12           H4*        C  12 -13.334  11.393   3.650
  123    H3*    C  12           H3*        C  12 -12.001  13.695   4.354
  124    H2*    C  12           H2*        C  12 -10.276  12.618   5.578
  125   2HO*    C  12          2HO*        C  12 -10.903  12.628   7.847
  126    H1*    C  12           H1*        C  12 -12.264  10.686   6.798
  127   1H4     C  12          1H4         C  12  -6.723   8.002   8.484
  128   2H4     C  12          2H4         C  12  -6.220   7.915   6.811
  129    H5     C  12           H5         C  12  -7.549   8.859   4.966
  130    H6     C  12           H6         C  12  -9.593  10.033   4.421
  131   1H5*    U  13          1H5*        U  13 -16.530  12.547   3.023
  132   2H5*    U  13          2H5*        U  13 -15.207  11.454   3.506
  133    H4*    U  13           H4*        U  13 -14.512  12.659   1.011
  134    H3*    U  13           H3*        U  13 -17.164  12.742   0.846
  135    H2*    U  13           H2*        U  13 -17.457  10.580   1.870
  136   2HO*    U  13          2HO*        U  13 -17.583  10.186  -0.940
  137    H1*    U  13           H1*        U  13 -15.522   9.431  -0.143
  138    H3     U  13           H3         U  13 -14.836   5.471   2.114
  139    H5     U  13           H5         U  13 -16.992   7.912   4.810
  140    H6     U  13           H6         U  13 -16.825   9.671   3.260
  141   1H5*    C  14          1H5*        C  14 -13.800  10.817  -2.700
  142   2H5*    C  14          2H5*        C  14 -14.166  10.206  -1.071
  143    H4*    C  14           H4*        C  14 -11.432  10.913  -2.169
  144    H3*    C  14           H3*        C  14 -12.682   8.279  -1.342
  145    H2*    C  14           H2*        C  14 -10.478   7.505  -0.846
  146   2HO*    C  14          2HO*        C  14  -8.651   8.769  -1.478
  147    H1*    C  14           H1*        C  14  -9.663   9.988   0.191
  148   1H4     C  14          1H4         C  14 -10.879   6.254   5.229
  149   2H4     C  14          2H4         C  14 -12.553   6.743   5.187
  150    H5     C  14           H5         C  14 -13.491   8.158   3.399
  151    H6     C  14           H6         C  14 -12.957   9.312   1.347
  152   1H5*    A  15          1H5*        A  15  -9.441   7.503  -3.820
  153   2H5*    A  15          2H5*        A  15  -9.743   6.187  -4.981
  154    H4*    A  15           H4*        A  15  -7.672   5.855  -3.665
  155    H3*    A  15           H3*        A  15  -9.906   3.879  -3.188
  156    H2*    A  15           H2*        A  15  -8.453   2.641  -1.728
  157   2HO*    A  15          2HO*        A  15  -6.232   3.277  -1.555
  158    H1*    A  15           H1*        A  15  -7.481   4.885  -0.463
  159    H8     A  15           H8         A  15 -11.107   5.414  -1.291
  160   1H6     A  15          1H6         A  15 -12.336   2.383   4.019
  161   2H6     A  15          2H6         A  15 -13.039   3.338   2.731
  162    H2     A  15           H2         A  15  -7.942   2.023   3.067
  163   1H5*    C  16          1H5*        C  16  -6.462   1.699  -4.495
  164   2H5*    C  16          2H5*        C  16  -6.880   0.315  -5.542
  165    H4*    C  16           H4*        C  16  -5.483  -0.235  -3.514
  166    H3*    C  16           H3*        C  16  -8.202  -1.522  -3.825
  167    H2*    C  16           H2*        C  16  -7.718  -2.848  -1.891
  168   2HO*    C  16          2HO*        C  16  -5.615  -2.740  -0.939
  169    H1*    C  16           H1*        C  16  -6.646  -0.732  -0.474
  170   1H4     C  16          1H4         C  16 -12.842  -1.190   1.104
  171   2H4     C  16          2H4         C  16 -13.180   0.139   0.014
  172    H5     C  16           H5         C  16 -11.485   1.098  -1.487
  173    H6     C  16           H6         C  16  -9.188   0.934  -2.207
  174   1H5*    G  17          1H5*        G  17  -5.368  -4.590  -3.300
  175   2H5*    G  17          2H5*        G  17  -5.602  -5.912  -4.472
  176    H4*    G  17           H4*        G  17  -5.407  -6.812  -2.221
  177    H3*    G  17           H3*        G  17  -8.223  -6.917  -3.326
  178    H2*    G  17           H2*        G  17  -8.872  -8.153  -1.367
  179   2HO*    G  17          2HO*        G  17  -7.287  -8.834   0.126
  180    H1*    G  17           H1*        G  17  -7.545  -6.463   0.348
  181    H8     G  17           H8         G  17  -8.861  -4.350  -2.496
  182    H1     G  17           H1         G  17 -13.335  -5.825   1.832
  183   1H2     G  17          1H2         G  17 -12.580  -7.377   3.217
  184   2H2     G  17          2H2         G  17 -10.967  -8.041   3.079
  185   1H5*    G  18          1H5*        G  18  -7.592 -10.739  -2.100
  186   2H5*    G  18          2H5*        G  18  -8.089 -11.935  -3.326
  187    H4*    G  18           H4*        G  18  -9.158 -12.331  -1.135
  188    H3*    G  18           H3*        G  18 -11.036 -11.407  -3.322
  189    H2*    G  18           H2*        G  18 -12.847 -11.813  -1.818
  190   2HO*    G  18          2HO*        G  18 -12.084 -13.822  -0.964
  191    H1*    G  18           H1*        G  18 -11.434 -10.834   0.411
  192    H8     G  18           H8         G  18 -10.986  -8.557  -2.596
  193    H1     G  18           H1         G  18 -16.456  -7.574   0.588
  194   1H2     G  18          1H2         G  18 -16.764  -9.174   2.082
  195   2H2     G  18          2H2         G  18 -15.631 -10.489   2.289
  196   1H5*    G  19          1H5*        G  19 -13.723 -14.764  -5.740
  197   2H5*    G  19          2H5*        G  19 -13.647 -12.979  -5.704
  198    H4*    G  19           H4*        G  19 -15.313 -14.676  -3.824
  199    H3*    G  19           H3*        G  19 -16.133 -13.127  -6.294
  200    H2*    G  19           H2*        G  19 -18.253 -12.774  -5.237
  201   2HO*    G  19          2HO*        G  19 -18.788 -13.880  -3.327
  202    H1*    G  19           H1*        G  19 -17.108 -12.270  -2.751
  203    H8     G  19           H8         G  19 -15.845 -10.977  -6.200
  204    H1     G  19           H1         G  19 -18.961  -6.709  -2.593
  205   1H2     G  19          1H2         G  19 -19.658  -7.653  -0.729
  206   2H2     G  19          2H2         G  19 -19.354  -9.336  -0.364
  207   1H5*    U  20          1H5*        U  20 -19.336 -14.003  -8.891
  208   2H5*    U  20          2H5*        U  20 -20.076 -12.906  -7.706
  209    H4*    U  20           H4*        U  20 -21.458 -14.868  -8.921
  210    H3*    U  20           H3*        U  20 -21.761 -13.921  -6.066
  211    H2*    U  20           H2*        U  20 -23.402 -15.587  -5.672
  212   2HO*    U  20          2HO*        U  20 -23.403 -15.917  -8.520
  213    H1*    U  20           H1*        U  20 -22.151 -17.566  -7.174
  214    H3     U  20           H3         U  20 -21.103 -19.536  -3.310
  215    H5     U  20           H5         U  20 -19.768 -15.595  -2.696
  216    H6     U  20           H6         U  20 -20.578 -15.034  -4.910
  217   1H5*    G  21          1H5*        G  21 -21.992  -9.531  -6.341
  218   2H5*    G  21          2H5*        G  21 -20.956 -10.229  -5.065
  219    H4*    G  21           H4*        G  21 -23.946 -10.369  -5.387
  220    H3*    G  21           H3*        G  21 -22.066  -9.655  -3.141
  221    H2*    G  21           H2*        G  21 -23.658 -10.417  -1.544
  222   2HO*    G  21          2HO*        G  21 -25.549  -9.602  -2.643
  223    H1*    G  21           H1*        G  21 -24.253 -12.712  -2.815
  224    H8     G  21           H8         G  21 -20.613 -11.771  -3.444
  225    H1     G  21           H1         G  21 -21.573 -14.996   1.987
  226   1H2     G  21          1H2         G  21 -23.738 -15.200   2.384
  227   2H2     G  21          2H2         G  21 -24.949 -14.543   1.309
  228   1H5*    A  22          1H5*        A  22 -25.615  -7.372  -2.130
  229   2H5*    A  22          2H5*        A  22 -25.234  -6.051  -0.993
  230    H4*    A  22           H4*        A  22 -26.624  -7.955  -0.052
  231    H3*    A  22           H3*        A  22 -23.949  -7.357   1.224
  232    H2*    A  22           H2*        A  22 -24.554  -8.933   2.952
  233   2HO*    A  22          2HO*        A  22 -26.619  -9.915   2.905
  234    H1*    A  22           H1*        A  22 -25.319 -10.815   1.112
  235    H8     A  22           H8         A  22 -22.551  -9.095  -0.659
  236   1H6     A  22          1H6         A  22 -18.516 -12.194   2.810
  237   2H6     A  22          2H6         A  22 -18.721 -11.183   1.399
  238    H2     A  22           H2         A  22 -22.561 -12.723   4.606
  239   1H5*    C  23          1H5*        C  23 -24.936  -6.943   3.994
  240   2H5*    C  23          2H5*        C  23 -24.223  -5.802   5.158
  241    H4*    C  23           H4*        C  23 -23.229  -8.178   5.001
  242    H3*    C  23           H3*        C  23 -21.455  -5.746   4.712
  243    H2*    C  23           H2*        C  23 -19.588  -7.253   4.771
  244   2HO*    C  23          2HO*        C  23 -19.908  -9.459   5.241
  245    H1*    C  23           H1*        C  23 -20.796  -9.066   3.056
  246   1H4     C  23          1H4         C  23 -17.148  -5.223  -0.518
  247   2H4     C  23          2H4         C  23 -18.527  -4.175  -0.788
  248    H5     C  23           H5         C  23 -20.683  -4.490   0.356
  249    H6     C  23           H6         C  23 -21.899  -5.869   1.935
  250   1H5*    C  24          1H5*        C  24 -19.907  -8.179   7.746
  251   2H5*    C  24          2H5*        C  24 -19.243  -7.230   9.102
  252    H4*    C  24           H4*        C  24 -17.621  -8.864   8.162
  253    H3*    C  24           H3*        C  24 -16.911  -5.950   7.737
  254    H2*    C  24           H2*        C  24 -14.784  -6.719   6.947
  255   2HO*    C  24          2HO*        C  24 -14.254  -8.965   7.120
  256    H1*    C  24           H1*        C  24 -15.910  -8.851   5.525
  257   1H4     C  24          1H4         C  24 -14.918  -4.213   1.255
  258   2H4     C  24          2H4         C  24 -16.404  -3.423   1.733
  259    H5     C  24           H5         C  24 -17.786  -4.207   3.610
  260    H6     C  24           H6         C  24 -17.982  -5.876   5.343
  261   1H5*    G  25          1H5*        G  25 -13.700  -7.797   9.569
  262   2H5*    G  25          2H5*        G  25 -13.075  -6.840  10.935
  263    H4*    G  25           H4*        G  25 -11.248  -7.497   9.475
  264    H3*    G  25           H3*        G  25 -11.954  -4.566   9.202
  265    H2*    G  25           H2*        G  25 -10.014  -4.340   7.816
  266   2HO*    G  25          2HO*        G  25  -8.599  -6.145   7.545
  267    H1*    G  25           H1*        G  25 -10.546  -6.647   6.397
  268    H8     G  25           H8         G  25 -13.853  -4.963   7.103
  269    H1     G  25           H1         G  25 -10.603  -2.201   2.318
  270   1H2     G  25          1H2         G  25  -8.539  -2.994   2.251
  271   2H2     G  25          2H2         G  25  -7.962  -4.202   3.378
  272   1H5*    U  26          1H5*        U  26  -7.883  -4.710   9.948
  273   2H5*    U  26          2H5*        U  26  -7.310  -3.299  10.876
  274    H4*    U  26           H4*        U  26  -6.326  -3.681   8.524
  275    H3*    U  26           H3*        U  26  -7.592  -1.030   9.250
  276    H2*    U  26           H2*        U  26  -6.841  -0.197   7.137
  277   2HO*    U  26          2HO*        U  26  -5.370  -1.388   5.877
  278    H1*    U  26           H1*        U  26  -7.430  -2.580   5.781
  279    H3     U  26           H3         U  26 -10.060   0.976   4.352
  280    H5     U  26           H5         U  26 -12.194  -0.962   7.427
  281    H6     U  26           H6         U  26 -10.195  -2.234   7.926
  282   1H5*    G  27          1H5*        G  27  -3.484  -0.981   7.943
  283   2H5*    G  27          2H5*        G  27  -2.535   0.464   8.373
  284    H4*    G  27           H4*        G  27  -3.224  -0.381   5.811
  285    H3*    G  27           H3*        G  27  -1.507   1.525   6.734
  286    H2*    G  27           H2*        G  27  -3.225   3.121   7.226
  287   2HO*    G  27          2HO*        G  27  -1.709   4.113   5.789
  288    H1*    G  27           H1*        G  27  -4.481   2.483   4.547
  289    H8     G  27           H8         G  27  -5.635   2.696   8.236
  290    H1     G  27           H1         G  27  -8.806   6.473   4.165
  291   1H2     G  27          1H2         G  27  -7.931   6.325   2.142
  292   2H2     G  27          2H2         G  27  -6.572   5.281   1.792
  293   1H5*    G  28          1H5*        G  28  -2.152   4.043   2.117
  294   2H5*    G  28          2H5*        G  28  -1.693   2.343   1.847
  295    H4*    G  28           H4*        G  28  -0.716   4.087   0.268
  296    H3*    G  28           H3*        G  28   1.054   2.188   1.797
  297    H2*    G  28           H2*        G  28   2.959   3.115   0.721
  298   2HO*    G  28          2HO*        G  28   2.695   4.661  -0.952
  299    H1*    G  28           H1*        G  28   2.218   5.689   1.085
  300    H8     G  28           H8         G  28   0.906   4.065   4.187
  301    H1     G  28           H1         G  28   7.279   4.673   4.213
  302   1H2     G  28          1H2         G  28   8.004   5.220   2.199
  303   2H2     G  28          2H2         G  28   6.915   5.436   0.847
  304   1H5*    U  29          1H5*        U  29   1.970   1.844  -2.424
  305   2H5*    U  29          2H5*        U  29   2.372   0.164  -2.876
  306    H4*    U  29           H4*        U  29   4.099   1.853  -3.534
  307    H3*    U  29           H3*        U  29   4.933  -0.230  -1.501
  308    H2*    U  29           H2*        U  29   7.140   0.612  -1.705
  309   2HO*    U  29          2HO*        U  29   7.713   2.020  -3.390
  310    H1*    U  29           H1*        U  29   6.301   3.276  -1.961
  311    H3     U  29           H3         U  29   8.881   2.619   1.888
  312    H5     U  29           H5         U  29   4.915   1.646   2.936
  313    H6     U  29           H6         U  29   4.330   1.801   0.605
  314   1H5*    C  30          1H5*        C  30   7.778  -0.250  -4.695
  315   2H5*    C  30          2H5*        C  30   8.564  -1.845  -4.819
  316    H4*    C  30           H4*        C  30   9.996   0.263  -4.215
  317    H3*    C  30           H3*        C  30  10.147  -2.351  -2.710
  318    H2*    C  30           H2*        C  30  11.876  -1.427  -1.351
  319   2HO*    C  30          2HO*        C  30  12.878   0.530  -1.901
  320    H1*    C  30           H1*        C  30  10.688   1.072  -1.126
  321   1H4     C  30          1H4         C  30   9.156  -2.378   4.085
  322   2H4     C  30          2H4         C  30   7.566  -2.598   3.396
  323    H5     C  30           H5         C  30   6.989  -1.905   1.123
  324    H6     C  30           H6         C  30   7.834  -0.881  -0.889
  325   1H5*    C  31          1H5*        C  31  14.066  -1.398  -3.348
  326   2H5*    C  31          2H5*        C  31  14.979  -2.772  -4.027
  327    H4*    C  31           H4*        C  31  16.082  -1.926  -2.020
  328    H3*    C  31           H3*        C  31  14.726  -4.604  -1.652
  329    H2*    C  31           H2*        C  31  15.657  -4.708   0.552
  330   2HO*    C  31          2HO*        C  31  17.114  -3.024   1.232
  331    H1*    C  31           H1*        C  31  15.048  -2.092   1.146
  332   1H4     C  31          1H4         C  31  10.085  -5.547   3.198
  333   2H4     C  31          2H4         C  31   9.303  -5.347   1.646
  334    H5     C  31           H5         C  31  10.403  -4.277  -0.270
  335    H6     C  31           H6         C  31  12.441  -3.221  -1.015
  336   1H5*    U  32          1H5*        U  32  18.017  -5.565   0.234
  337   2H5*    U  32          2H5*        U  32  18.896  -6.740  -0.774
  338    H4*    U  32           H4*        U  32  18.887  -7.701   1.360
  339    H3*    U  32           H3*        U  32  16.550  -8.846  -0.174
  340    H2*    U  32           H2*        U  32  16.137 -10.281   1.676
  341   2HO*    U  32          2HO*        U  32  18.549  -9.221   2.790
  342    H1*    U  32           H1*        U  32  16.403  -8.342   3.535
  343    H3     U  32           H3         U  32  12.000  -9.253   3.220
  344    H5     U  32           H5         U  32  12.728  -6.563   0.082
  345    H6     U  32           H6         U  32  15.121  -6.781   0.543
  346   1H5*    C  33          1H5*        C  33  18.765 -12.001   1.658
  347   2H5*    C  33          2H5*        C  33  18.730 -13.478   0.661
  348    H4*    C  33           H4*        C  33  17.911 -13.825   2.997
  349    H3*    C  33           H3*        C  33  15.848 -14.187   0.808
  350    H2*    C  33           H2*        C  33  14.385 -15.023   2.498
  351   2HO*    C  33          2HO*        C  33  15.167 -15.332   4.643
  352    H1*    C  33           H1*        C  33  15.052 -13.055   4.314
  353   1H4     C  33          1H4         C  33   9.822 -10.972   1.306
  354   2H4     C  33          2H4         C  33  10.803 -10.320   0.010
  355    H5     C  33           H5         C  33  13.239 -10.660  -0.123
  356    H6     C  33           H6         C  33  15.135 -11.695   0.960
  357   1H5*    C  34          1H5*        C  34  15.851 -17.612   3.436
  358   2H5*    C  34          2H5*        C  34  15.521 -19.068   2.470
  359    H4*    C  34           H4*        C  34  13.976 -18.711   4.431
  360    H3*    C  34           H3*        C  34  12.763 -18.759   1.656
  361    H2*    C  34           H2*        C  34  10.609 -18.707   2.688
  362   2HO*    C  34          2HO*        C  34  10.409 -18.971   4.953
  363    H1*    C  34           H1*        C  34  11.366 -16.848   4.626
  364   1H4     C  34          1H4         C  34   8.524 -13.538  -0.038
  365   2H4     C  34          2H4         C  34  10.050 -13.401  -0.885
  366    H5     C  34           H5         C  34  12.097 -14.551  -0.147
  367    H6     C  34           H6         C  34  13.024 -16.022   1.531
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  -3.258 -10.550   0.646
    2   2H5*    G   1          2H5*        G   1  -1.858 -10.772  -0.403
    3    H4*    G   1           H4*        G   1  -3.029 -12.887   1.418
    4    H3*    G   1           H3*        G   1  -0.574 -11.143   1.730
    5    H2*    G   1           H2*        G   1   0.464 -12.946   2.902
    6   2HO*    G   1          2HO*        G   1  -0.701 -14.745   3.557
    7    H1*    G   1           H1*        G   1  -0.353 -14.850   1.118
    8    H8     G   1           H8         G   1   0.418 -11.804  -0.930
    9    H1     G   1           H1         G   1   5.695 -14.830   1.046
   10   1H2     G   1          1H2         G   1   5.184 -16.333   2.582
   11   2H2     G   1          2H2         G   1   3.539 -16.602   3.113
   12   1H5*    G   2          1H5*        G   2  -1.258 -12.686   5.745
   13   2H5*    G   2          2H5*        G   2  -0.731 -11.429   6.898
   14    H4*    G   2           H4*        G   2   0.433 -13.710   7.037
   15    H3*    G   2           H3*        G   2   2.088 -11.204   6.628
   16    H2*    G   2           H2*        G   2   4.035 -12.563   6.898
   17   2HO*    G   2          2HO*        G   2   3.829 -14.743   7.586
   18    H1*    G   2           H1*        G   2   2.996 -14.674   5.399
   19    H8     G   2           H8         G   2   2.030 -11.792   3.326
   20    H1     G   2           H1         G   2   8.365 -12.648   3.237
   21   1H2     G   2          1H2         G   2   8.978 -14.030   4.850
   22   2H2     G   2          2H2         G   2   7.823 -14.747   5.952
   23   1H5*    A   3          1H5*        A   3   3.809 -12.988  10.429
   24   2H5*    A   3          2H5*        A   3   3.913 -11.550  11.481
   25    H4*    A   3           H4*        A   3   6.043 -12.771  11.437
   26    H3*    A   3           H3*        A   3   6.125 -10.118   9.977
   27    H2*    A   3           H2*        A   3   8.510 -10.433   9.781
   28   2HO*    A   3          2HO*        A   3   9.490 -12.248  10.772
   29    H1*    A   3           H1*        A   3   8.241 -13.007   8.898
   30    H8     A   3           H8         A   3   5.240 -11.213   7.529
   31   1H6     A   3          1H6         A   3   8.930  -8.973   3.099
   32   2H6     A   3          2H6         A   3   7.274  -9.165   3.630
   33    H2     A   3           H2         A   3  11.486 -10.903   6.244
   34   1H5*    G   4          1H5*        G   4   9.240  -9.864  12.763
   35   2H5*    G   4          2H5*        G   4   9.306  -8.258  13.532
   36    H4*    G   4           H4*        G   4  11.472  -8.911  12.538
   37    H3*    G   4           H3*        G   4  10.080  -6.612  11.141
   38    H2*    G   4           H2*        G   4  12.065  -6.352   9.814
   39   2HO*    G   4          2HO*        G   4  13.623  -6.833  11.462
   40    H1*    G   4           H1*        G   4  12.257  -9.029   9.283
   41    H8     G   4           H8         G   4   8.578  -8.421   9.439
   42    H1     G   4           H1         G   4  11.213  -6.114   4.096
   43   1H2     G   4          1H2         G   4  13.415  -6.097   4.274
   44   2H2     G   4          2H2         G   4  14.236  -6.671   5.707
   45   1H5*    G   5          1H5*        G   5  14.018  -4.747  12.077
   46   2H5*    G   5          2H5*        G   5  13.570  -3.111  12.628
   47    H4*    G   5           H4*        G   5  15.227  -3.199  10.719
   48    H3*    G   5           H3*        G   5  12.584  -1.789  10.265
   49    H2*    G   5           H2*        G   5  13.414  -1.091   8.124
   50   2HO*    G   5          2HO*        G   5  15.592  -1.537   7.550
   51    H1*    G   5           H1*        G   5  14.415  -3.570   7.496
   52    H8     G   5           H8         G   5  11.315  -4.450   9.350
   53    H1     G   5           H1         G   5  10.013  -1.979   3.596
   54   1H2     G   5          1H2         G   5  11.826  -1.052   2.726
   55   2H2     G   5          2H2         G   5  13.356  -1.036   3.573
   56   1H5*    A   6          1H5*        A   6  15.939   1.080   9.244
   57   2H5*    A   6          2H5*        A   6  15.299   2.709   9.594
   58    H4*    A   6           H4*        A   6  16.181   2.180   7.200
   59    H3*    A   6           H3*        A   6  13.465   3.440   7.672
   60    H2*    A   6           H2*        A   6  13.260   3.673   5.302
   61   2HO*    A   6          2HO*        A   6  15.018   3.265   3.936
   62    H1*    A   6           H1*        A   6  14.235   1.163   4.768
   63    H8     A   6           H8         A   6  12.082   0.804   7.833
   64   1H6     A   6          1H6         A   6   7.195   0.730   4.056
   65   2H6     A   6          2H6         A   6   7.752   0.456   5.689
   66    H2     A   6           H2         A   6  10.791   1.962   1.672
   67   1H5*    C   7          1H5*        C   7  15.409   5.672   4.662
   68   2H5*    C   7          2H5*        C   7  14.978   7.396   4.788
   69    H4*    C   7           H4*        C   7  14.423   6.272   2.581
   70    H3*    C   7           H3*        C   7  12.165   7.487   4.178
   71    H2*    C   7           H2*        C   7  10.733   7.069   2.293
   72   2HO*    C   7          2HO*        C   7  12.255   7.621   0.632
   73    H1*    C   7           H1*        C   7  11.769   4.533   1.873
   74   1H4     C   7          1H4         C   7   6.601   3.824   5.564
   75   2H4     C   7          2H4         C   7   7.610   3.937   6.989
   76    H5     C   7           H5         C   7  10.004   4.488   6.889
   77    H6     C   7           H6         C   7  11.829   5.023   5.398
   78   1H5*    A   8          1H5*        A   8  10.390  11.547   1.363
   79   2H5*    A   8          2H5*        A   8   9.576  10.512   2.569
   80    H4*    A   8           H4*        A   8   9.536  10.306  -0.444
   81    H3*    A   8           H3*        A   8   7.462  10.735   1.690
   82    H2*    A   8           H2*        A   8   5.869   9.322   0.612
   83   2HO*    A   8          2HO*        A   8   7.755   9.157  -1.536
   84    H1*    A   8           H1*        A   8   7.514   7.288   0.145
   85    H8     A   8           H8         A   8   9.377   8.146   3.081
   86   1H6     A   8          1H6         A   8   4.584   6.655   6.696
   87   2H6     A   8          2H6         A   8   6.301   6.985   6.652
   88    H2     A   8           H2         A   8   3.105   7.064   2.493
   89   1H5*    U   9          1H5*        U   9   5.310  10.854  -1.113
   90   2H5*    U   9          2H5*        U   9   4.465  12.341  -1.627
   91    H4*    U   9           H4*        U   9   2.922  10.457  -1.503
   92    H3*    U   9           H3*        U   9   2.522  12.808   0.209
   93    H2*    U   9           H2*        U   9   1.430  11.721   1.948
   94   2HO*    U   9          2HO*        U   9  -0.215  10.273   1.595
   95    H1*    U   9           H1*        U   9   1.850   9.009   1.329
   96    H3     U   9           H3         U   9   2.260   9.988   5.865
   97    H5     U   9           H5         U   9   6.028  10.627   4.109
   98    H6     U   9           H6         U   9   4.982  10.397   1.946
   99   1H5*    U  10          1H5*        U  10  -2.333  11.676   0.391
  100   2H5*    U  10          2H5*        U  10  -2.551  13.008  -0.774
  101    H4*    U  10           H4*        U  10  -3.729  13.078   1.591
  102    H3*    U  10           H3*        U  10  -3.185  15.130  -0.184
  103    H2*    U  10           H2*        U  10  -1.011  15.558   0.743
  104   2HO*    U  10          2HO*        U  10  -2.238  17.529   0.821
  105    H1*    U  10           H1*        U  10  -2.258  15.349   3.491
  106    H3     U  10           H3         U  10   1.589  15.858   5.768
  107    H5     U  10           H5         U  10   2.858  14.065   2.175
  108    H6     U  10           H6         U  10   0.565  14.081   1.435
  109   1H5*    C  11          1H5*        C  11  -7.583  15.862   2.979
  110   2H5*    C  11          2H5*        C  11  -6.070  15.010   3.393
  111    H4*    C  11           H4*        C  11  -8.715  13.710   2.687
  112    H3*    C  11           H3*        C  11  -8.073  14.733   5.194
  113    H2*    C  11           H2*        C  11  -6.184  13.330   5.498
  114   2HO*    C  11          2HO*        C  11  -6.888  11.458   6.728
  115    H1*    C  11           H1*        C  11  -7.749  11.074   4.241
  116   1H4     C  11          1H4         C  11  -2.121   8.111   4.628
  117   2H4     C  11          2H4         C  11  -1.271   9.531   4.067
  118    H5     C  11           H5         C  11  -2.408  11.654   3.585
  119    H6     C  11           H6         C  11  -4.542  12.782   3.545
  120   1H5*    C  12          1H5*        C  12 -11.583  11.471   4.127
  121   2H5*    C  12          2H5*        C  12 -12.735  12.615   3.380
  122    H4*    C  12           H4*        C  12 -14.184  10.988   4.127
  123    H3*    C  12           H3*        C  12 -14.498  13.254   5.591
  124    H2*    C  12           H2*        C  12 -12.911  12.646   7.287
  125   2HO*    C  12          2HO*        C  12 -14.163  11.868   9.116
  126    H1*    C  12           H1*        C  12 -14.113   9.871   7.447
  127   1H4     C  12          1H4         C  12  -8.827   8.946  10.885
  128   2H4     C  12          2H4         C  12  -7.829   9.613   9.614
  129    H5     C  12           H5         C  12  -8.759  10.569   7.552
  130    H6     C  12           H6         C  12 -10.806  11.041   6.354
  131   1H5*    U  13          1H5*        U  13 -17.079   8.379   4.456
  132   2H5*    U  13          2H5*        U  13 -15.735   9.392   5.040
  133    H4*    U  13           H4*        U  13 -15.701  10.195   2.543
  134    H3*    U  13           H3*        U  13 -17.658   8.541   1.931
  135    H2*    U  13           H2*        U  13 -16.743   6.748   3.307
  136   2HO*    U  13          2HO*        U  13 -15.960   6.139   0.638
  137    H1*    U  13           H1*        U  13 -14.161   6.980   1.757
  138    H3     U  13           H3         U  13 -12.813   3.469   4.421
  139    H5     U  13           H5         U  13 -13.857   6.563   7.095
  140    H6     U  13           H6         U  13 -14.695   7.795   5.238
  141   1H5*    C  14          1H5*        C  14 -13.444  12.147   0.097
  142   2H5*    C  14          2H5*        C  14 -13.695  11.278  -1.439
  143    H4*    C  14           H4*        C  14 -11.317  11.529  -1.084
  144    H3*    C  14           H3*        C  14 -12.169   8.689  -0.429
  145    H2*    C  14           H2*        C  14  -9.857   8.171  -0.162
  146   2HO*    C  14          2HO*        C  14  -8.246   9.608  -0.886
  147    H1*    C  14           H1*        C  14  -9.241  10.662   1.002
  148   1H4     C  14          1H4         C  14  -9.460   6.379   5.726
  149   2H4     C  14          2H4         C  14 -11.163   6.706   5.922
  150    H5     C  14           H5         C  14 -12.413   8.162   4.406
  151    H6     C  14           H6         C  14 -12.278   9.539   2.432
  152   1H5*    A  15          1H5*        A  15  -8.689   8.384  -3.298
  153   2H5*    A  15          2H5*        A  15  -9.110   6.958  -4.276
  154    H4*    A  15           H4*        A  15  -6.850   6.997  -2.960
  155    H3*    A  15           H3*        A  15  -8.769   4.663  -2.907
  156    H2*    A  15           H2*        A  15  -7.245   3.455  -1.489
  157   2HO*    A  15          2HO*        A  15  -5.461   5.673  -1.895
  158    H1*    A  15           H1*        A  15  -6.805   5.552   0.190
  159    H8     A  15           H8         A  15 -10.241   5.460  -1.397
  160   1H6     A  15          1H6         A  15 -11.897   2.170   3.653
  161   2H6     A  15          2H6         A  15 -12.515   2.947   2.208
  162    H2     A  15           H2         A  15  -7.459   2.849   3.674
  163   1H5*    C  16          1H5*        C  16  -5.165   2.819  -3.794
  164   2H5*    C  16          2H5*        C  16  -5.362   1.505  -4.984
  165    H4*    C  16           H4*        C  16  -4.413   0.783  -2.772
  166    H3*    C  16           H3*        C  16  -7.088  -0.381  -3.586
  167    H2*    C  16           H2*        C  16  -6.947  -1.807  -1.671
  168   2HO*    C  16          2HO*        C  16  -5.026  -1.970  -0.483
  169    H1*    C  16           H1*        C  16  -5.943   0.200  -0.026
  170   1H4     C  16          1H4         C  16 -12.204  -0.067   1.132
  171   2H4     C  16          2H4         C  16 -12.502   1.071  -0.167
  172    H5     C  16           H5         C  16 -10.732   1.859  -1.680
  173    H6     C  16           H6         C  16  -8.374   1.697  -2.202
  174   1H5*    G  17          1H5*        G  17  -3.983  -3.380  -2.767
  175   2H5*    G  17          2H5*        G  17  -4.120  -4.770  -3.873
  176    H4*    G  17           H4*        G  17  -3.850  -5.453  -1.508
  177    H3*    G  17           H3*        G  17  -6.523  -6.101  -2.773
  178    H2*    G  17           H2*        G  17  -7.112  -7.286  -0.764
  179   2HO*    G  17          2HO*        G  17  -5.514  -7.437   0.933
  180    H1*    G  17           H1*        G  17  -6.239  -5.290   0.890
  181    H8     G  17           H8         G  17  -7.579  -3.575  -2.186
  182    H1     G  17           H1         G  17 -12.192  -5.569   1.758
  183   1H2     G  17          1H2         G  17 -11.361  -6.911   3.306
  184   2H2     G  17          2H2         G  17  -9.658  -7.311   3.371
  185   1H5*    G  18          1H5*        G  18  -5.266  -9.567  -0.980
  186   2H5*    G  18          2H5*        G  18  -5.518 -10.999  -2.010
  187    H4*    G  18           H4*        G  18  -6.555 -11.225   0.235
  188    H3*    G  18           H3*        G  18  -8.469 -11.086  -2.103
  189    H2*    G  18           H2*        G  18 -10.250 -11.556  -0.577
  190   2HO*    G  18          2HO*        G  18  -9.177 -13.159   0.689
  191    H1*    G  18           H1*        G  18  -9.239  -9.882   1.411
  192    H8     G  18           H8         G  18  -8.858  -8.248  -1.998
  193    H1     G  18           H1         G  18 -14.721  -7.620   0.494
  194   1H2     G  18          1H2         G  18 -14.945  -8.909   2.278
  195   2H2     G  18          2H2         G  18 -13.648  -9.931   2.855
  196   1H5*    G  19          1H5*        G  19 -10.746 -15.173  -3.481
  197   2H5*    G  19          2H5*        G  19 -10.965 -13.423  -3.761
  198    H4*    G  19           H4*        G  19 -12.192 -14.948  -1.447
  199    H3*    G  19           H3*        G  19 -13.388 -14.184  -4.118
  200    H2*    G  19           H2*        G  19 -15.499 -13.884  -3.012
  201   2HO*    G  19          2HO*        G  19 -15.779 -14.522  -0.862
  202    H1*    G  19           H1*        G  19 -14.405 -12.514  -0.889
  203    H8     G  19           H8         G  19 -12.990 -12.055  -4.484
  204    H1     G  19           H1         G  19 -17.269  -7.671  -2.640
  205   1H2     G  19          1H2         G  19 -18.079  -8.184  -0.657
  206   2H2     G  19          2H2         G  19 -17.568  -9.607   0.222
  207   1H5*    U  20          1H5*        U  20 -14.753 -14.195  -6.663
  208   2H5*    U  20          2H5*        U  20 -15.544 -14.266  -5.068
  209    H4*    U  20           H4*        U  20 -16.452 -15.455  -7.694
  210    H3*    U  20           H3*        U  20 -17.763 -13.726  -5.576
  211    H2*    U  20           H2*        U  20 -19.878 -14.570  -6.240
  212   2HO*    U  20          2HO*        U  20 -18.484 -15.578  -8.537
  213    H1*    U  20           H1*        U  20 -18.927 -17.169  -6.742
  214    H3     U  20           H3         U  20 -21.331 -18.368  -3.177
  215    H5     U  20           H5         U  20 -18.918 -15.286  -1.646
  216    H6     U  20           H6         U  20 -18.005 -14.978  -3.884
  217   1H5*    G  21          1H5*        G  21 -19.174  -9.545  -5.511
  218   2H5*    G  21          2H5*        G  21 -18.224 -10.692  -4.527
  219    H4*    G  21           H4*        G  21 -21.215 -10.860  -5.006
  220    H3*    G  21           H3*        G  21 -19.645  -9.812  -2.642
  221    H2*    G  21           H2*        G  21 -21.318 -10.680  -1.187
  222   2HO*    G  21          2HO*        G  21 -23.193 -10.142  -2.357
  223    H1*    G  21           H1*        G  21 -21.597 -13.054  -2.513
  224    H8     G  21           H8         G  21 -17.975 -11.821  -2.380
  225    H1     G  21           H1         G  21 -19.769 -15.297   2.672
  226   1H2     G  21          1H2         G  21 -21.947 -15.690   2.598
  227   2H2     G  21          2H2         G  21 -22.956 -15.090   1.304
  228   1H5*    A  22          1H5*        A  22 -23.657  -7.864  -2.097
  229   2H5*    A  22          2H5*        A  22 -23.471  -6.601  -0.849
  230    H4*    A  22           H4*        A  22 -24.859  -8.714  -0.274
  231    H3*    A  22           H3*        A  22 -22.598  -7.783   1.497
  232    H2*    A  22           H2*        A  22 -23.233  -9.489   3.065
  233   2HO*    A  22          2HO*        A  22 -25.506  -9.420   2.848
  234    H1*    A  22           H1*        A  22 -23.408 -11.393   1.127
  235    H8     A  22           H8         A  22 -20.608  -9.194  -0.008
  236   1H6     A  22          1H6         A  22 -16.965 -12.146   4.012
  237   2H6     A  22          2H6         A  22 -17.008 -11.030   2.668
  238    H2     A  22           H2         A  22 -21.206 -13.298   4.840
  239   1H5*    C  23          1H5*        C  23 -21.769  -4.738   2.987
  240   2H5*    C  23          2H5*        C  23 -22.332  -6.070   1.964
  241    H4*    C  23           H4*        C  23 -22.084  -7.197   4.505
  242    H3*    C  23           H3*        C  23 -19.855  -5.229   4.024
  243    H2*    C  23           H2*        C  23 -18.226  -6.819   4.735
  244   2HO*    C  23          2HO*        C  23 -20.476  -8.434   5.466
  245    H1*    C  23           H1*        C  23 -19.202  -8.882   3.290
  246   1H4     C  23          1H4         C  23 -15.286  -5.671  -0.643
  247   2H4     C  23          2H4         C  23 -16.658  -4.786  -1.266
  248    H5     C  23           H5         C  23 -18.911  -4.976  -0.320
  249    H6     C  23           H6         C  23 -20.253  -6.053   1.376
  250   1H5*    C  24          1H5*        C  24 -18.941  -6.895   7.729
  251   2H5*    C  24          2H5*        C  24 -18.252  -5.686   8.845
  252    H4*    C  24           H4*        C  24 -16.743  -7.638   8.351
  253    H3*    C  24           H3*        C  24 -15.778  -4.900   7.489
  254    H2*    C  24           H2*        C  24 -13.675  -5.937   6.972
  255   2HO*    C  24          2HO*        C  24 -13.336  -8.145   7.500
  256    H1*    C  24           H1*        C  24 -14.861  -8.100   5.727
  257   1H4     C  24          1H4         C  24 -13.608  -3.834   1.132
  258   2H4     C  24          2H4         C  24 -15.149  -3.062   1.421
  259    H5     C  24           H5         C  24 -16.645  -3.714   3.248
  260    H6     C  24           H6         C  24 -16.926  -5.212   5.114
  261   1H5*    G  25          1H5*        G  25 -12.842  -6.681   9.823
  262   2H5*    G  25          2H5*        G  25 -11.943  -5.534  10.848
  263    H4*    G  25           H4*        G  25 -10.507  -6.914   9.322
  264    H3*    G  25           H3*        G  25 -10.508  -3.914   8.925
  265    H2*    G  25           H2*        G  25  -8.788  -4.199   7.286
  266   2HO*    G  25          2HO*        G  25  -7.790  -6.212   6.988
  267    H1*    G  25           H1*        G  25 -10.010  -6.336   6.068
  268    H8     G  25           H8         G  25 -12.893  -4.162   6.988
  269    H1     G  25           H1         G  25  -9.491  -1.704   2.146
  270   1H2     G  25          1H2         G  25  -7.559  -2.771   1.961
  271   2H2     G  25          2H2         G  25  -7.114  -4.092   3.019
  272   1H5*    U  26          1H5*        U  26  -6.549  -4.773   9.021
  273   2H5*    U  26          2H5*        U  26  -5.605  -3.550   9.912
  274    H4*    U  26           H4*        U  26  -5.002  -3.863   7.460
  275    H3*    U  26           H3*        U  26  -5.869  -1.143   8.462
  276    H2*    U  26           H2*        U  26  -5.453  -0.245   6.295
  277   2HO*    U  26          2HO*        U  26  -4.275  -1.403   4.753
  278    H1*    U  26           H1*        U  26  -6.410  -2.492   4.925
  279    H3     U  26           H3         U  26  -9.056   1.183   4.058
  280    H5     U  26           H5         U  26 -10.669  -0.627   7.497
  281    H6     U  26           H6         U  26  -8.702  -2.036   7.596
  282   1H5*    G  27          1H5*        G  27  -2.110  -1.193   6.378
  283   2H5*    G  27          2H5*        G  27  -0.924   0.020   6.925
  284    H4*    G  27           H4*        G  27  -1.757  -0.146   4.395
  285    H3*    G  27           H3*        G  27  -0.307   1.791   5.729
  286    H2*    G  27           H2*        G  27  -2.157   3.087   6.399
  287   2HO*    G  27          2HO*        G  27  -0.843   4.407   4.973
  288    H1*    G  27           H1*        G  27  -3.505   2.651   3.734
  289    H8     G  27           H8         G  27  -4.611   1.764   7.295
  290    H1     G  27           H1         G  27  -7.929   6.479   4.550
  291   1H2     G  27          1H2         G  27  -7.018   7.033   2.611
  292   2H2     G  27          2H2         G  27  -5.597   6.223   1.991
  293   1H5*    G  28          1H5*        G  28  -1.618   3.443   0.876
  294   2H5*    G  28          2H5*        G  28  -2.135   2.078  -0.146
  295    H4*    G  28           H4*        G  28  -0.986   3.258  -1.713
  296    H3*    G  28           H3*        G  28   1.058   1.563  -0.313
  297    H2*    G  28           H2*        G  28   2.892   2.689  -1.294
  298   2HO*    G  28          2HO*        G  28   2.555   4.219  -2.977
  299    H1*    G  28           H1*        G  28   2.014   5.184  -0.956
  300    H8     G  28           H8         G  28   0.515   3.431   2.013
  301    H1     G  28           H1         G  28   6.774   4.505   2.702
  302   1H2     G  28          1H2         G  28   7.666   5.132   0.783
  303   2H2     G  28          2H2         G  28   6.719   5.295  -0.680
  304   1H5*    U  29          1H5*        U  29   2.302   1.299  -4.364
  305   2H5*    U  29          2H5*        U  29   2.816  -0.364  -4.761
  306    H4*    U  29           H4*        U  29   4.596   1.348  -5.118
  307    H3*    U  29           H3*        U  29   5.113  -0.696  -2.946
  308    H2*    U  29           H2*        U  29   7.295   0.212  -2.739
  309   2HO*    U  29          2HO*        U  29   8.117   1.662  -4.285
  310    H1*    U  29           H1*        U  29   6.457   2.851  -3.104
  311    H3     U  29           H3         U  29   8.146   2.221   1.194
  312    H5     U  29           H5         U  29   4.109   1.024   1.345
  313    H6     U  29           H6         U  29   4.028   1.215  -1.055
  314   1H5*    C  30          1H5*        C  30   8.549  -0.665  -5.474
  315   2H5*    C  30          2H5*        C  30   9.355  -2.255  -5.423
  316    H4*    C  30           H4*        C  30  10.616  -0.144  -4.535
  317    H3*    C  30           H3*        C  30  10.434  -2.735  -2.990
  318    H2*    C  30           H2*        C  30  11.837  -1.784  -1.312
  319   2HO*    C  30          2HO*        C  30  12.907   0.197  -1.675
  320    H1*    C  30           H1*        C  30  10.625   0.714  -1.390
  321   1H4     C  30          1H4         C  30   8.032  -2.642   3.444
  322   2H4     C  30          2H4         C  30   6.634  -2.912   2.432
  323    H5     C  30           H5         C  30   6.552  -2.275   0.069
  324    H6     C  30           H6         C  30   7.799  -1.278  -1.738
  325   1H5*    C  31          1H5*        C  31  14.386  -1.840  -2.667
  326   2H5*    C  31          2H5*        C  31  15.387  -3.213  -3.210
  327    H4*    C  31           H4*        C  31  16.110  -2.526  -1.002
  328    H3*    C  31           H3*        C  31  14.511  -5.094  -0.961
  329    H2*    C  31           H2*        C  31  15.014  -5.287   1.374
  330   2HO*    C  31          2HO*        C  31  16.418  -3.692   2.340
  331    H1*    C  31           H1*        C  31  14.466  -2.646   1.898
  332   1H4     C  31          1H4         C  31   8.982  -5.768   2.856
  333   2H4     C  31          2H4         C  31   8.545  -5.523   1.180
  334    H5     C  31           H5         C  31  10.075  -4.529  -0.462
  335    H6     C  31           H6         C  31  12.281  -3.599  -0.768
  336   1H5*    U  32          1H5*        U  32  17.357  -6.366   1.478
  337   2H5*    U  32          2H5*        U  32  18.299  -7.580   0.578
  338    H4*    U  32           H4*        U  32  17.866  -8.601   2.638
  339    H3*    U  32           H3*        U  32  15.725  -9.501   0.704
  340    H2*    U  32           H2*        U  32  14.912 -10.950   2.403
  341   2HO*    U  32          2HO*        U  32  17.214 -10.139   3.895
  342    H1*    U  32           H1*        U  32  15.020  -9.101   4.359
  343    H3     U  32           H3         U  32  10.686  -9.705   3.274
  344    H5     U  32           H5         U  32  12.066  -6.882   0.501
  345    H6     U  32           H6         U  32  14.343  -7.295   1.314
  346   1H5*    C  33          1H5*        C  33  17.345 -12.916   2.751
  347   2H5*    C  33          2H5*        C  33  17.246 -14.365   1.720
  348    H4*    C  33           H4*        C  33  16.068 -14.553   3.943
  349    H3*    C  33           H3*        C  33  14.360 -14.793   1.452
  350    H2*    C  33           H2*        C  33  12.570 -15.436   2.896
  351   2HO*    C  33          2HO*        C  33  14.486 -15.380   5.017
  352    H1*    C  33           H1*        C  33  13.109 -13.471   4.751
  353   1H4     C  33          1H4         C  33   8.694 -11.045   0.829
  354   2H4     C  33          2H4         C  33   9.943 -10.509  -0.273
  355    H5     C  33           H5         C  33  12.326 -11.053   0.038
  356    H6     C  33           H6         C  33  13.899 -12.216   1.455
  357   1H5*    C  34          1H5*        C  34  13.561 -18.099   4.099
  358   2H5*    C  34          2H5*        C  34  13.270 -19.550   3.112
  359    H4*    C  34           H4*        C  34  11.443 -18.985   4.758
  360    H3*    C  34           H3*        C  34  10.744 -19.029   1.812
  361    H2*    C  34           H2*        C  34   8.454 -18.747   2.437
  362   2HO*    C  34          2HO*        C  34   8.638 -20.228   4.303
  363    H1*    C  34           H1*        C  34   9.025 -16.887   4.437
  364   1H4     C  34          1H4         C  34   7.397 -13.543  -0.762
  365   2H4     C  34          2H4         C  34   9.065 -13.545  -1.292
  366    H5     C  34           H5         C  34  10.832 -14.817  -0.144
  367    H6     C  34           H6         C  34  11.296 -16.295   1.709
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  -0.480 -12.429   0.737
    2   2H5*    G   1          2H5*        G   1   0.962 -12.377  -0.273
    3    H4*    G   1           H4*        G   1   0.251 -14.614   1.637
    4    H3*    G   1           H3*        G   1   2.260 -12.365   1.898
    5    H2*    G   1           H2*        G   1   3.599 -13.846   3.207
    6   2HO*    G   1          2HO*        G   1   2.804 -15.807   3.943
    7    H1*    G   1           H1*        G   1   3.229 -15.984   1.524
    8    H8     G   1           H8         G   1   3.542 -12.937  -0.653
    9    H1     G   1           H1         G   1   9.170 -14.899   1.658
   10   1H2     G   1          1H2         G   1   8.862 -16.408   3.243
   11   2H2     G   1          2H2         G   1   7.267 -16.943   3.724
   12   1H5*    G   2          1H5*        G   2   1.704 -13.877   5.958
   13   2H5*    G   2          2H5*        G   2   1.930 -12.508   7.082
   14    H4*    G   2           H4*        G   2   3.483 -14.524   7.372
   15    H3*    G   2           H3*        G   2   4.672 -11.773   6.924
   16    H2*    G   2           H2*        G   2   6.818 -12.741   7.334
   17   2HO*    G   2          2HO*        G   2   5.371 -15.078   8.137
   18    H1*    G   2           H1*        G   2   6.259 -15.057   5.886
   19    H8     G   2           H8         G   2   4.883 -12.431   3.685
   20    H1     G   2           H1         G   2  11.272 -12.229   3.805
   21   1H2     G   2          1H2         G   2  12.050 -13.439   5.484
   22   2H2     G   2          2H2         G   2  10.994 -14.313   6.571
   23   1H5*    A   3          1H5*        A   3   6.499 -13.167  10.721
   24   2H5*    A   3          2H5*        A   3   6.345 -11.765  11.816
   25    H4*    A   3           H4*        A   3   8.639 -12.605  11.820
   26    H3*    A   3           H3*        A   3   8.344  -9.971  10.356
   27    H2*    A   3           H2*        A   3  10.752  -9.905  10.231
   28   2HO*    A   3          2HO*        A   3  12.000 -11.403  11.329
   29    H1*    A   3           H1*        A   3  10.919 -12.496   9.362
   30    H8     A   3           H8         A   3   7.728 -11.162   7.881
   31   1H6     A   3          1H6         A   3  11.210  -8.463   3.534
   32   2H6     A   3          2H6         A   3   9.578  -8.873   4.017
   33    H2     A   3           H2         A   3  13.905  -9.988   6.784
   34   1H5*    G   4          1H5*        G   4  11.290  -9.247  13.244
   35   2H5*    G   4          2H5*        G   4  11.080  -7.654  14.015
   36    H4*    G   4           H4*        G   4  13.354  -7.947  13.108
   37    H3*    G   4           H3*        G   4  11.669  -5.912  11.625
   38    H2*    G   4           H2*        G   4  13.644  -5.344  10.378
   39   2HO*    G   4          2HO*        G   4  14.987  -7.169  12.135
   40    H1*    G   4           H1*        G   4  14.277  -7.958   9.883
   41    H8     G   4           H8         G   4  10.539  -7.921   9.910
   42    H1     G   4           H1         G   4  12.981  -5.312   4.614
   43   1H2     G   4          1H2         G   4  15.147  -4.962   4.862
   44   2H2     G   4          2H2         G   4  15.997  -5.385   6.331
   45   1H5*    G   5          1H5*        G   5  15.183  -3.441  12.637
   46   2H5*    G   5          2H5*        G   5  14.465  -1.938  13.272
   47    H4*    G   5           H4*        G   5  16.110  -1.559  11.433
   48    H3*    G   5           H3*        G   5  13.237  -0.798  10.842
   49    H2*    G   5           H2*        G   5  14.009   0.155   8.777
   50   2HO*    G   5          2HO*        G   5  16.224   0.327   8.348
   51    H1*    G   5           H1*        G   5  15.589  -2.008   8.168
   52    H8     G   5           H8         G   5  12.629  -3.558   9.840
   53    H1     G   5           H1         G   5  11.249  -1.466   3.958
   54   1H2     G   5          1H2         G   5  12.889  -0.190   3.189
   55   2H2     G   5          2H2         G   5  14.319   0.152   4.134
   56   1H5*    A   6          1H5*        A   6  15.869   2.856  10.205
   57   2H5*    A   6          2H5*        A   6  14.817   4.270  10.489
   58    H4*    A   6           H4*        A   6  16.031   4.040   8.199
   59    H3*    A   6           H3*        A   6  13.051   4.557   8.378
   60    H2*    A   6           H2*        A   6  13.050   4.806   6.000
   61   2HO*    A   6          2HO*        A   6  15.017   4.844   4.844
   62    H1*    A   6           H1*        A   6  14.686   2.637   5.578
   63    H8     A   6           H8         A   6  12.350   1.668   8.371
   64   1H6     A   6          1H6         A   6   8.096   0.508   4.045
   65   2H6     A   6          2H6         A   6   8.515   0.334   5.732
   66    H2     A   6           H2         A   6  11.539   2.644   2.101
   67   1H5*    C   7          1H5*        C   7  14.677   7.344   5.641
   68   2H5*    C   7          2H5*        C   7  13.775   8.880   5.704
   69    H4*    C   7           H4*        C   7  13.815   7.721   3.452
   70    H3*    C   7           H3*        C   7  11.122   8.175   4.749
   71    H2*    C   7           H2*        C   7  10.139   7.472   2.663
   72   2HO*    C   7          2HO*        C   7  11.569   6.955   0.898
   73    H1*    C   7           H1*        C   7  11.819   5.306   2.452
   74   1H4     C   7          1H4         C   7   6.624   3.296   5.602
   75   2H4     C   7          2H4         C   7   7.420   3.647   7.121
   76    H5     C   7           H5         C   7   9.598   4.777   7.256
   77    H6     C   7           H6         C   7  11.376   5.762   5.955
   78   1H5*    A   8          1H5*        A   8  10.629   9.983   0.921
   79   2H5*    A   8          2H5*        A   8   9.648  11.458   1.132
   80    H4*    A   8           H4*        A   8   8.695   9.747  -0.464
   81    H3*    A   8           H3*        A   8   7.083  10.528   1.973
   82    H2*    A   8           H2*        A   8   5.293   9.153   1.158
   83   2HO*    A   8          2HO*        A   8   5.433   8.193  -0.907
   84    H1*    A   8           H1*        A   8   6.909   7.061   0.502
   85    H8     A   8           H8         A   8   8.667   7.967   3.537
   86   1H6     A   8          1H6         A   8   3.916   5.887   6.903
   87   2H6     A   8          2H6         A   8   5.593   6.382   6.941
   88    H2     A   8           H2         A   8   2.556   6.330   2.663
   89   1H5*    U   9          1H5*        U   9   4.768  10.592  -0.867
   90   2H5*    U   9          2H5*        U   9   3.761  11.976  -1.357
   91    H4*    U   9           H4*        U   9   2.510   9.818  -1.112
   92    H3*    U   9           H3*        U   9   1.723  12.334   0.109
   93    H2*    U   9           H2*        U   9   1.258  11.449   2.225
   94   2HO*    U   9          2HO*        U   9  -0.569   9.832   0.782
   95    H1*    U   9           H1*        U   9   1.290   8.608   1.366
   96    H3     U   9           H3         U   9   1.190   8.360   5.942
   97    H5     U   9           H5         U   9   4.952   9.983   4.968
   98    H6     U   9           H6         U   9   4.223  10.158   2.689
   99   1H5*    U  10          1H5*        U  10  -2.415  10.919   0.272
  100   2H5*    U  10          2H5*        U  10  -3.232  11.965  -0.919
  101    H4*    U  10           H4*        U  10  -4.259  12.059   1.356
  102    H3*    U  10           H3*        U  10  -3.951  14.257  -0.228
  103    H2*    U  10           H2*        U  10  -1.770  14.770   0.667
  104   2HO*    U  10          2HO*        U  10  -3.676  16.277   2.127
  105    H1*    U  10           H1*        U  10  -2.936  14.386   3.428
  106    H3     U  10           H3         U  10   0.955  15.142   5.580
  107    H5     U  10           H5         U  10   2.199  13.468   1.919
  108    H6     U  10           H6         U  10  -0.123  13.327   1.280
  109   1H5*    C  11          1H5*        C  11  -7.601  15.454   4.194
  110   2H5*    C  11          2H5*        C  11  -6.055  14.694   3.727
  111    H4*    C  11           H4*        C  11  -8.655  13.771   2.521
  112    H3*    C  11           H3*        C  11  -7.995  13.392   5.339
  113    H2*    C  11           H2*        C  11  -6.750  11.451   4.986
  114   2HO*    C  11          2HO*        C  11  -9.197  10.343   4.082
  115    H1*    C  11           H1*        C  11  -8.058  11.002   2.305
  116   1H4     C  11          1H4         C  11  -2.916   7.347   1.421
  117   2H4     C  11          2H4         C  11  -1.920   8.401   2.399
  118    H5     C  11           H5         C  11  -2.793  10.423   3.488
  119    H6     C  11           H6         C  11  -4.762  11.770   3.838
  120   1H5*    C  12          1H5*        C  12 -11.650  11.227   3.721
  121   2H5*    C  12          2H5*        C  12 -12.830  12.567   3.894
  122    H4*    C  12           H4*        C  12 -14.080  10.567   3.693
  123    H3*    C  12           H3*        C  12 -14.553  12.071   5.918
  124    H2*    C  12           H2*        C  12 -13.013  10.889   7.320
  125   2HO*    C  12          2HO*        C  12 -14.300   9.317   8.551
  126    H1*    C  12           H1*        C  12 -14.015   8.242   6.228
  127   1H4     C  12          1H4         C  12  -8.856   6.502   9.613
  128   2H4     C  12          2H4         C  12  -7.832   7.214   8.389
  129    H5     C  12           H5         C  12  -8.719   8.516   6.496
  130    H6     C  12           H6         C  12 -10.737   9.341   5.470
  131   1H5*    U  13          1H5*        U  13 -17.736   8.196   2.956
  132   2H5*    U  13          2H5*        U  13 -16.874   8.345   4.509
  133    H4*    U  13           H4*        U  13 -15.510   9.998   2.676
  134    H3*    U  13           H3*        U  13 -16.685   8.128   1.002
  135    H2*    U  13           H2*        U  13 -15.696   6.275   2.148
  136   2HO*    U  13          2HO*        U  13 -14.958   6.361  -0.119
  137    H1*    U  13           H1*        U  13 -13.175   7.946   2.296
  138    H3     U  13           H3         U  13 -11.007   5.534   5.603
  139    H5     U  13           H5         U  13 -14.461   3.320   4.661
  140    H6     U  13           H6         U  13 -15.172   5.095   3.287
  141   1H5*    C  14          1H5*        C  14 -13.079   7.558  -2.995
  142   2H5*    C  14          2H5*        C  14 -13.236   6.956  -1.326
  143    H4*    C  14           H4*        C  14 -11.006   8.783  -2.261
  144    H3*    C  14           H3*        C  14 -11.059   5.771  -1.980
  145    H2*    C  14           H2*        C  14  -8.762   5.852  -1.325
  146   2HO*    C  14          2HO*        C  14  -7.627   7.893  -1.461
  147    H1*    C  14           H1*        C  14  -9.073   8.158   0.230
  148   1H4     C  14          1H4         C  14  -9.242   3.262   4.312
  149   2H4     C  14          2H4         C  14 -10.967   3.106   4.054
  150    H5     C  14           H5         C  14 -12.196   4.417   2.370
  151    H6     C  14           H6         C  14 -11.963   6.098   0.659
  152   1H5*    A  15          1H5*        A  15  -7.655   5.902  -3.649
  153   2H5*    A  15          2H5*        A  15  -7.555   4.910  -5.129
  154    H4*    A  15           H4*        A  15  -5.843   4.131  -3.667
  155    H3*    A  15           H3*        A  15  -8.258   2.311  -3.544
  156    H2*    A  15           H2*        A  15  -7.047   0.864  -2.050
  157   2HO*    A  15          2HO*        A  15  -4.964   1.065  -3.059
  158    H1*    A  15           H1*        A  15  -6.145   2.926  -0.491
  159    H8     A  15           H8         A  15  -9.563   3.800  -1.848
  160   1H6     A  15          1H6         A  15 -11.831   0.669   3.031
  161   2H6     A  15          2H6         A  15 -12.254   1.720   1.693
  162    H2     A  15           H2         A  15  -7.420   0.005   2.804
  163   1H5*    C  16          1H5*        C  16  -5.052  -0.286  -4.593
  164   2H5*    C  16          2H5*        C  16  -5.582  -1.543  -5.743
  165    H4*    C  16           H4*        C  16  -4.599  -2.459  -3.647
  166    H3*    C  16           H3*        C  16  -7.546  -3.016  -4.078
  167    H2*    C  16           H2*        C  16  -7.413  -4.491  -2.189
  168   2HO*    C  16          2HO*        C  16  -5.377  -4.916  -1.220
  169    H1*    C  16           H1*        C  16  -5.921  -2.692  -0.706
  170   1H4     C  16          1H4         C  16 -12.020  -1.741   0.923
  171   2H4     C  16          2H4         C  16 -12.194  -0.578  -0.374
  172    H5     C  16           H5         C  16 -10.421  -0.140  -2.019
  173    H6     C  16           H6         C  16  -8.185  -0.755  -2.711
  174   1H5*    G  17          1H5*        G  17  -5.614  -6.712  -3.542
  175   2H5*    G  17          2H5*        G  17  -6.192  -7.925  -4.713
  176    H4*    G  17           H4*        G  17  -6.276  -8.831  -2.456
  177    H3*    G  17           H3*        G  17  -9.020  -8.157  -3.548
  178    H2*    G  17           H2*        G  17  -9.942  -9.215  -1.593
  179   2HO*    G  17          2HO*        G  17  -8.556 -10.288  -0.124
  180    H1*    G  17           H1*        G  17  -8.189  -7.951   0.108
  181    H8     G  17           H8         G  17  -8.982  -5.522  -2.670
  182    H1     G  17           H1         G  17 -13.614  -5.938   1.726
  183   1H2     G  17          1H2         G  17 -13.243  -7.659   3.068
  184   2H2     G  17          2H2         G  17 -11.845  -8.693   2.885
  185   1H5*    G  18          1H5*        G  18  -9.293 -12.037  -2.246
  186   2H5*    G  18          2H5*        G  18 -10.168 -13.079  -3.401
  187    H4*    G  18           H4*        G  18 -11.116 -13.158  -1.107
  188    H3*    G  18           H3*        G  18 -12.889 -11.889  -3.208
  189    H2*    G  18           H2*        G  18 -14.622 -11.803  -1.571
  190   2HO*    G  18          2HO*        G  18 -14.254 -13.932  -0.696
  191    H1*    G  18           H1*        G  18 -12.856 -11.134   0.518
  192    H8     G  18           H8         G  18 -12.059  -9.051  -2.533
  193    H1     G  18           H1         G  18 -17.076  -6.860   0.792
  194   1H2     G  18          1H2         G  18 -17.694  -8.345   2.308
  195   2H2     G  18          2H2         G  18 -16.873  -9.878   2.500
  196   1H5*    G  19          1H5*        G  19 -16.427 -14.173  -5.343
  197   2H5*    G  19          2H5*        G  19 -15.865 -12.490  -5.147
  198    H4*    G  19           H4*        G  19 -17.915 -13.893  -3.405
  199    H3*    G  19           H3*        G  19 -18.234 -11.781  -5.554
  200    H2*    G  19           H2*        G  19 -20.147 -10.974  -4.344
  201   2HO*    G  19          2HO*        G  19 -20.882 -12.103  -2.498
  202    H1*    G  19           H1*        G  19 -18.836 -11.024  -1.940
  203    H8     G  19           H8         G  19 -16.936 -10.175  -5.227
  204    H1     G  19           H1         G  19 -18.888  -5.137  -1.809
  205   1H2     G  19          1H2         G  19 -20.068  -5.806  -0.077
  206   2H2     G  19          2H2         G  19 -20.373  -7.496   0.250
  207   1H5*    U  20          1H5*        U  20 -19.784 -10.929  -8.150
  208   2H5*    U  20          2H5*        U  20 -20.190 -11.466  -6.503
  209    H4*    U  20           H4*        U  20 -22.025 -11.306  -8.905
  210    H3*    U  20           H3*        U  20 -22.045  -9.967  -6.189
  211    H2*    U  20           H2*        U  20 -24.421  -9.848  -6.333
  212   2HO*    U  20          2HO*        U  20 -24.468  -9.121  -8.563
  213    H1*    U  20           H1*        U  20 -24.660 -12.333  -7.660
  214    H3     U  20           H3         U  20 -26.387 -14.192  -3.992
  215    H5     U  20           H5         U  20 -23.359 -11.742  -2.413
  216    H6     U  20           H6         U  20 -22.787 -11.090  -4.676
  217   1H5*    G  21          1H5*        G  21 -22.665  -5.962  -5.289
  218   2H5*    G  21          2H5*        G  21 -22.034  -7.479  -4.589
  219    H4*    G  21           H4*        G  21 -24.875  -6.444  -4.343
  220    H3*    G  21           H3*        G  21 -22.587  -6.513  -2.370
  221    H2*    G  21           H2*        G  21 -24.170  -6.876  -0.618
  222   2HO*    G  21          2HO*        G  21 -25.857  -5.507  -1.293
  223    H1*    G  21           H1*        G  21 -25.581  -8.763  -1.967
  224    H8     G  21           H8         G  21 -21.803  -8.808  -2.689
  225    H1     G  21           H1         G  21 -23.622 -12.467   2.225
  226   1H2     G  21          1H2         G  21 -25.765 -12.148   2.667
  227   2H2     G  21          2H2         G  21 -26.749 -11.027   1.755
  228   1H5*    A  22          1H5*        A  22 -25.209  -3.231  -0.928
  229   2H5*    A  22          2H5*        A  22 -24.367  -2.232   0.287
  230    H4*    A  22           H4*        A  22 -26.336  -3.626   1.119
  231    H3*    A  22           H3*        A  22 -23.615  -4.041   2.370
  232    H2*    A  22           H2*        A  22 -24.710  -5.440   3.999
  233   2HO*    A  22          2HO*        A  22 -26.684  -4.154   4.121
  234    H1*    A  22           H1*        A  22 -26.122  -6.787   2.059
  235    H8     A  22           H8         A  22 -22.809  -5.949   0.511
  236   1H6     A  22          1H6         A  22 -20.379 -10.792   3.434
  237   2H6     A  22          2H6         A  22 -20.118  -9.568   2.213
  238    H2     A  22           H2         A  22 -24.461 -10.106   5.083
  239   1H5*    C  23          1H5*        C  23 -24.332  -3.588   5.134
  240   2H5*    C  23          2H5*        C  23 -23.306  -2.797   6.354
  241    H4*    C  23           H4*        C  23 -23.019  -5.299   6.127
  242    H3*    C  23           H3*        C  23 -20.619  -3.541   5.585
  243    H2*    C  23           H2*        C  23 -19.314  -5.554   5.497
  244   2HO*    C  23          2HO*        C  23 -20.299  -7.567   6.016
  245    H1*    C  23           H1*        C  23 -21.194  -6.894   3.963
  246   1H4     C  23          1H4         C  23 -16.991  -4.345  -0.117
  247   2H4     C  23          2H4         C  23 -17.942  -2.877  -0.189
  248    H5     C  23           H5         C  23 -19.906  -2.490   1.238
  249    H6     C  23           H6         C  23 -21.306  -3.444   2.972
  250   1H5*    C  24          1H5*        C  24 -19.613  -6.276   8.661
  251   2H5*    C  24          2H5*        C  24 -18.462  -5.581   9.835
  252    H4*    C  24           H4*        C  24 -17.671  -7.705   8.785
  253    H3*    C  24           H3*        C  24 -16.064  -5.227   8.112
  254    H2*    C  24           H2*        C  24 -14.467  -6.703   7.101
  255   2HO*    C  24          2HO*        C  24 -14.667  -8.957   7.344
  256    H1*    C  24           H1*        C  24 -16.441  -8.257   5.901
  257   1H4     C  24          1H4         C  24 -14.585  -4.086   1.434
  258   2H4     C  24          2H4         C  24 -15.589  -2.842   2.143
  259    H5     C  24           H5         C  24 -16.835  -3.160   4.234
  260    H6     C  24           H6         C  24 -17.335  -4.724   6.005
  261   1H5*    G  25          1H5*        G  25 -13.384  -7.973   9.762
  262   2H5*    G  25          2H5*        G  25 -12.272  -7.196  10.920
  263    H4*    G  25           H4*        G  25 -11.018  -8.489   9.278
  264    H3*    G  25           H3*        G  25 -10.793  -5.499   8.847
  265    H2*    G  25           H2*        G  25  -9.165  -5.964   7.163
  266   2HO*    G  25          2HO*        G  25  -8.396  -8.096   6.858
  267    H1*    G  25           H1*        G  25 -10.616  -8.029   6.057
  268    H8     G  25           H8         G  25 -13.095  -5.382   7.075
  269    H1     G  25           H1         G  25  -9.930  -3.889   1.706
  270   1H2     G  25          1H2         G  25  -8.228  -5.276   1.422
  271   2H2     G  25          2H2         G  25  -7.875  -6.571   2.545
  272   1H5*    U  26          1H5*        U  26  -6.756  -6.728   8.922
  273   2H5*    U  26          2H5*        U  26  -5.754  -5.389   9.546
  274    H4*    U  26           H4*        U  26  -5.406  -6.166   7.094
  275    H3*    U  26           H3*        U  26  -5.869  -3.256   7.788
  276    H2*    U  26           H2*        U  26  -5.510  -2.724   5.488
  277   2HO*    U  26          2HO*        U  26  -4.630  -4.230   4.060
  278    H1*    U  26           H1*        U  26  -6.880  -4.967   4.538
  279    H3     U  26           H3         U  26  -9.098  -1.105   3.349
  280    H5     U  26           H5         U  26 -10.577  -2.162   7.141
  281    H6     U  26           H6         U  26  -8.817  -3.821   7.292
  282   1H5*    G  27          1H5*        G  27  -2.386  -3.958   5.428
  283   2H5*    G  27          2H5*        G  27  -1.079  -2.764   5.626
  284    H4*    G  27           H4*        G  27  -2.325  -3.229   3.276
  285    H3*    G  27           H3*        G  27  -0.479  -1.358   3.979
  286    H2*    G  27           H2*        G  27  -2.086   0.125   4.973
  287   2HO*    G  27          2HO*        G  27  -2.412   1.840   3.447
  288    H1*    G  27           H1*        G  27  -3.829  -0.287   2.530
  289    H8     G  27           H8         G  27  -4.758  -0.885   6.179
  290    H1     G  27           H1         G  27  -7.318   4.407   3.685
  291   1H2     G  27          1H2         G  27  -6.457   4.817   1.695
  292   2H2     G  27          2H2         G  27  -5.254   3.771   0.969
  293   1H5*    G  28          1H5*        G  28  -1.868   1.619  -0.433
  294   2H5*    G  28          2H5*        G  28  -1.186   0.066  -0.978
  295    H4*    G  28           H4*        G  28  -0.264   2.004  -2.211
  296    H3*    G  28           H3*        G  28   1.641   0.435  -0.482
  297    H2*    G  28           H2*        G  28   3.430   1.847  -1.145
  298   2HO*    G  28          2HO*        G  28   3.120   3.412  -2.789
  299    H1*    G  28           H1*        G  28   2.075   4.165  -0.852
  300    H8     G  28           H8         G  28   0.673   2.077   1.914
  301    H1     G  28           H1         G  28   6.604   4.114   3.174
  302   1H2     G  28          1H2         G  28   7.539   4.949   1.354
  303   2H2     G  28          2H2         G  28   6.696   5.011  -0.179
  304   1H5*    U  29          1H5*        U  29   3.451   0.785  -4.368
  305   2H5*    U  29          2H5*        U  29   4.219  -0.754  -4.845
  306    H4*    U  29           H4*        U  29   5.767   1.171  -5.011
  307    H3*    U  29           H3*        U  29   6.423  -0.848  -2.852
  308    H2*    U  29           H2*        U  29   8.446   0.340  -2.480
  309   2HO*    U  29          2HO*        U  29   9.135   1.960  -3.919
  310    H1*    U  29           H1*        U  29   7.273   2.841  -2.769
  311    H3     U  29           H3         U  29   8.663   2.218   1.618
  312    H5     U  29           H5         U  29   4.865   0.407   1.350
  313    H6     U  29           H6         U  29   4.950   0.736  -1.038
  314   1H5*    C  30          1H5*        C  30   9.979  -0.265  -5.168
  315   2H5*    C  30          2H5*        C  30  10.989  -1.734  -5.102
  316    H4*    C  30           H4*        C  30  11.908   0.504  -4.113
  317    H3*    C  30           H3*        C  30  11.995  -2.113  -2.599
  318    H2*    C  30           H2*        C  30  13.197  -0.995  -0.864
  319   2HO*    C  30          2HO*        C  30  14.008   1.105  -1.174
  320    H1*    C  30           H1*        C  30  11.649   1.309  -0.982
  321   1H4     C  30          1H4         C  30   9.368  -2.421   3.730
  322   2H4     C  30          2H4         C  30   8.069  -2.887   2.659
  323    H5     C  30           H5         C  30   7.995  -2.255   0.294
  324    H6     C  30           H6         C  30   9.158  -1.072  -1.458
  325   1H5*    C  31          1H5*        C  31  15.794  -0.648  -2.109
  326   2H5*    C  31          2H5*        C  31  16.995  -1.895  -2.537
  327    H4*    C  31           H4*        C  31  17.442  -1.014  -0.303
  328    H3*    C  31           H3*        C  31  16.331  -3.829  -0.313
  329    H2*    C  31           H2*        C  31  16.693  -3.907   2.052
  330   2HO*    C  31          2HO*        C  31  17.790  -2.179   3.095
  331    H1*    C  31           H1*        C  31  15.682  -1.382   2.481
  332   1H4     C  31          1H4         C  31  10.770  -5.385   3.261
  333   2H4     C  31          2H4         C  31  10.382  -5.245   1.561
  334    H5     C  31           H5         C  31  11.800  -4.029  -0.033
  335    H6     C  31           H6         C  31  13.831  -2.742  -0.259
  336   1H5*    U  32          1H5*        U  32  19.167  -4.574   2.345
  337   2H5*    U  32          2H5*        U  32  20.365  -5.611   1.532
  338    H4*    U  32           H4*        U  32  19.958  -6.698   3.562
  339    H3*    U  32           H3*        U  32  18.142  -7.934   1.488
  340    H2*    U  32           H2*        U  32  17.452  -9.501   3.134
  341   2HO*    U  32          2HO*        U  32  18.469  -9.550   5.177
  342    H1*    U  32           H1*        U  32  17.108  -7.669   5.076
  343    H3     U  32           H3         U  32  12.992  -8.880   3.754
  344    H5     U  32           H5         U  32  14.170  -6.029   0.912
  345    H6     U  32           H6         U  32  16.410  -6.069   1.900
  346   1H5*    C  33          1H5*        C  33  20.199 -11.007   3.690
  347   2H5*    C  33          2H5*        C  33  20.417 -12.467   2.693
  348    H4*    C  33           H4*        C  33  19.166 -12.831   4.851
  349    H3*    C  33           H3*        C  33  17.662 -13.390   2.282
  350    H2*    C  33           H2*        C  33  15.932 -14.313   3.643
  351   2HO*    C  33          2HO*        C  33  16.239 -14.598   5.881
  352    H1*    C  33           H1*        C  33  16.044 -12.274   5.501
  353   1H4     C  33          1H4         C  33  11.436 -10.663   1.391
  354   2H4     C  33          2H4         C  33  12.618  -9.956   0.311
  355    H5     C  33           H5         C  33  15.046 -10.100   0.706
  356    H6     C  33           H6         C  33  16.740 -10.962   2.198
  357   1H5*    C  34          1H5*        C  34  17.355 -16.772   4.969
  358   2H5*    C  34          2H5*        C  34  17.339 -18.262   3.997
  359    H4*    C  34           H4*        C  34  15.393 -17.985   5.582
  360    H3*    C  34           H3*        C  34  14.808 -18.191   2.617
  361    H2*    C  34           H2*        C  34  12.484 -18.280   3.162
  362   2HO*    C  34          2HO*        C  34  12.514 -19.646   4.966
  363    H1*    C  34           H1*        C  34  12.670 -16.323   5.143
  364   1H4     C  34          1H4         C  34  10.690 -13.350  -0.153
  365   2H4     C  34          2H4         C  34  12.352 -13.118  -0.656
  366    H5     C  34           H5         C  34  14.263 -14.090   0.552
  367    H6     C  34           H6         C  34  14.900 -15.444   2.448
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  -3.922 -10.371  -1.189
    2   2H5*    G   1          2H5*        G   1  -2.446 -10.645  -2.113
    3    H4*    G   1           H4*        G   1  -3.738 -12.652  -0.253
    4    H3*    G   1           H3*        G   1  -1.320 -10.872   0.129
    5    H2*    G   1           H2*        G   1  -0.378 -12.584   1.497
    6   2HO*    G   1          2HO*        G   1  -1.587 -14.322   2.205
    7    H1*    G   1           H1*        G   1  -1.071 -14.613  -0.209
    8    H8     G   1           H8         G   1  -0.087 -11.706  -2.374
    9    H1     G   1           H1         G   1   4.959 -14.679   0.192
   10   1H2     G   1          1H2         G   1   4.299 -16.089   1.764
   11   2H2     G   1          2H2         G   1   2.612 -16.304   2.176
   12   1H5*    G   2          1H5*        G   2  -2.253 -12.273   4.070
   13   2H5*    G   2          2H5*        G   2  -1.820 -11.003   5.247
   14    H4*    G   2           H4*        G   2  -0.646 -13.283   5.465
   15    H3*    G   2           H3*        G   2   1.006 -10.756   5.195
   16    H2*    G   2           H2*        G   2   2.932 -12.104   5.641
   17   2HO*    G   2          2HO*        G   2   2.630 -14.331   6.249
   18    H1*    G   2           H1*        G   2   2.024 -14.227   4.063
   19    H8     G   2           H8         G   2   1.272 -11.409   1.848
   20    H1     G   2           H1         G   2   7.595 -12.152   2.487
   21   1H2     G   2          1H2         G   2   8.042 -13.493   4.186
   22   2H2     G   2          2H2         G   2   6.782 -14.207   5.168
   23   1H5*    A   3          1H5*        A   3   2.491 -12.748   8.657
   24   2H5*    A   3          2H5*        A   3   2.419 -11.568   9.991
   25    H4*    A   3           H4*        A   3   4.576 -12.647  10.030
   26    H3*    A   3           H3*        A   3   4.771  -9.862   8.867
   27    H2*    A   3           H2*        A   3   7.169 -10.136   8.929
   28   2HO*    A   3          2HO*        A   3   6.596 -12.615  10.261
   29    H1*    A   3           H1*        A   3   7.045 -12.668   7.849
   30    H8     A   3           H8         A   3   4.321 -10.716   6.153
   31   1H6     A   3          1H6         A   3   8.693  -8.340   2.474
   32   2H6     A   3          2H6         A   3   6.972  -8.511   2.737
   33    H2     A   3           H2         A   3  10.707 -10.508   5.849
   34   1H5*    G   4          1H5*        G   4   7.639 -10.112  11.688
   35   2H5*    G   4          2H5*        G   4   7.621  -8.732  12.814
   36    H4*    G   4           H4*        G   4   9.869  -9.092  11.958
   37    H3*    G   4           H3*        G   4   8.549  -6.659  10.734
   38    H2*    G   4           H2*        G   4  10.677  -6.151   9.750
   39   2HO*    G   4          2HO*        G   4  12.518  -7.410  10.312
   40    H1*    G   4           H1*        G   4  11.134  -8.789   9.012
   41    H8     G   4           H8         G   4   7.480  -8.071   8.456
   42    H1     G   4           H1         G   4  11.239  -5.650   3.867
   43   1H2     G   4          1H2         G   4  13.361  -5.749   4.486
   44   2H2     G   4          2H2         G   4  13.850  -6.423   6.023
   45   1H5*    G   5          1H5*        G   5  12.033  -5.190  12.834
   46   2H5*    G   5          2H5*        G   5  11.708  -3.594  13.561
   47    H4*    G   5           H4*        G   5  13.710  -3.595  12.098
   48    H3*    G   5           H3*        G   5  11.359  -1.964  11.102
   49    H2*    G   5           H2*        G   5  12.746  -1.186   9.329
   50   2HO*    G   5          2HO*        G   5  15.007  -1.699   9.338
   51    H1*    G   5           H1*        G   5  13.924  -3.667   8.885
   52    H8     G   5           H8         G   5  10.242  -4.244   9.468
   53    H1     G   5           H1         G   5  11.532  -1.990   3.617
   54   1H2     G   5          1H2         G   5  13.635  -1.307   3.519
   55   2H2     G   5          2H2         G   5  14.718  -1.407   4.887
   56   1H5*    A   6          1H5*        A   6  14.633   0.748  10.940
   57   2H5*    A   6          2H5*        A   6  14.036   2.397  11.267
   58    H4*    A   6           H4*        A   6  15.110   1.927   8.965
   59    H3*    A   6           H3*        A   6  12.356   3.159   9.204
   60    H2*    A   6           H2*        A   6  12.283   3.357   6.847
   61   2HO*    A   6          2HO*        A   6  14.171   3.126   5.586
   62    H1*    A   6           H1*        A   6  13.670   0.960   6.359
   63    H8     A   6           H8         A   6  10.874   0.431   8.888
   64   1H6     A   6          1H6         A   6   7.116  -0.290   3.974
   65   2H6     A   6          2H6         A   6   7.239  -0.445   5.719
   66    H2     A   6           H2         A   6  11.074   1.227   2.555
   67   1H5*    C   7          1H5*        C   7  14.429   5.646   6.456
   68   2H5*    C   7          2H5*        C   7  13.804   7.312   6.572
   69    H4*    C   7           H4*        C   7  13.450   6.165   4.342
   70    H3*    C   7           H3*        C   7  11.057   7.139   5.900
   71    H2*    C   7           H2*        C   7   9.627   6.468   4.109
   72   2HO*    C   7          2HO*        C   7  10.607   5.733   2.115
   73    H1*    C   7           H1*        C   7  11.000   4.101   3.600
   74   1H4     C   7          1H4         C   7   6.197   2.300   7.338
   75   2H4     C   7          2H4         C   7   6.977   2.972   8.756
   76    H5     C   7           H5         C   7   9.097   4.229   8.638
   77    H6     C   7           H6         C   7  10.804   5.049   7.126
   78   1H5*    A   8          1H5*        A   8  10.804   9.049   2.122
   79   2H5*    A   8          2H5*        A   8  10.398  10.784   2.215
   80    H4*    A   8           H4*        A   8   8.907   9.479   0.690
   81    H3*    A   8           H3*        A   8   7.709  10.857   3.089
   82    H2*    A   8           H2*        A   8   5.536  10.018   2.550
   83   2HO*    A   8          2HO*        A   8   5.249   8.805   0.588
   84    H1*    A   8           H1*        A   8   6.312   7.504   2.053
   85    H8     A   8           H8         A   8   8.751   8.034   4.654
   86   1H6     A   8          1H6         A   8   4.242   7.995   8.891
   87   2H6     A   8          2H6         A   8   5.969   7.892   8.636
   88    H2     A   8           H2         A   8   2.384   8.473   4.846
   89   1H5*    U   9          1H5*        U   9   5.141  11.312   0.381
   90   2H5*    U   9          2H5*        U   9   4.536  12.929  -0.048
   91    H4*    U   9           H4*        U   9   2.777  11.178   0.535
   92    H3*    U   9           H3*        U   9   2.852  13.936   1.414
   93    H2*    U   9           H2*        U   9   2.445  13.539   3.711
   94   2HO*    U   9          2HO*        U   9   0.403  12.781   4.232
   95    H1*    U   9           H1*        U   9   1.693  10.730   3.515
   96    H3     U   9           H3         U   9   2.637  11.581   7.918
   97    H5     U   9           H5         U   9   6.329  11.508   5.916
   98    H6     U   9           H6         U   9   5.129  11.458   3.829
   99   1H5*    U  10          1H5*        U  10  -0.608  11.407   0.103
  100   2H5*    U  10          2H5*        U  10  -1.643  11.347  -1.346
  101    H4*    U  10           H4*        U  10  -3.059  11.969   0.474
  102    H3*    U  10           H3*        U  10  -2.750  13.822  -1.648
  103    H2*    U  10           H2*        U  10  -1.479  15.352  -0.345
  104   2HO*    U  10          2HO*        U  10  -2.857  16.954   0.498
  105    H1*    U  10           H1*        U  10  -3.192  14.609   2.035
  106    H3     U  10           H3         U  10  -1.000  17.379   4.845
  107    H5     U  10           H5         U  10   2.026  16.080   2.213
  108    H6     U  10           H6         U  10   0.367  14.791   1.058
  109   1H5*    C  11          1H5*        C  11  -8.308  14.424  -0.123
  110   2H5*    C  11          2H5*        C  11  -6.705  14.437   0.664
  111    H4*    C  11           H4*        C  11  -8.490  12.014   0.296
  112    H3*    C  11           H3*        C  11  -8.619  13.960   2.393
  113    H2*    C  11           H2*        C  11  -6.692  13.191   3.489
  114   2HO*    C  11          2HO*        C  11  -8.482  11.122   4.235
  115    H1*    C  11           H1*        C  11  -7.250  10.403   2.455
  116   1H4     C  11          1H4         C  11  -1.294   9.240   4.391
  117   2H4     C  11          2H4         C  11  -0.864  10.932   4.297
  118    H5     C  11           H5         C  11  -2.444  12.670   3.575
  119    H6     C  11           H6         C  11  -4.693  13.085   2.809
  120   1H5*    C  12          1H5*        C  12 -11.248  10.040   2.495
  121   2H5*    C  12          2H5*        C  12 -12.640  10.415   1.439
  122    H4*    C  12           H4*        C  12 -14.046   9.463   2.885
  123    H3*    C  12           H3*        C  12 -13.689  11.709   4.357
  124    H2*    C  12           H2*        C  12 -11.669  11.000   5.411
  125   2HO*    C  12          2HO*        C  12 -12.221  10.311   7.552
  126    H1*    C  12           H1*        C  12 -12.846   8.269   5.983
  127   1H4     C  12          1H4         C  12  -6.727   6.831   6.972
  128   2H4     C  12          2H4         C  12  -6.191   8.034   5.823
  129    H5     C  12           H5         C  12  -7.745   9.479   4.580
  130    H6     C  12           H6         C  12 -10.076  10.007   4.236
  131   1H5*    U  13          1H5*        U  13 -17.871   8.934   2.749
  132   2H5*    U  13          2H5*        U  13 -16.402   8.257   3.483
  133    H4*    U  13           H4*        U  13 -16.071   9.388   0.777
  134    H3*    U  13           H3*        U  13 -18.299   7.953   0.735
  135    H2*    U  13           H2*        U  13 -17.413   6.257   2.244
  136   2HO*    U  13          2HO*        U  13 -18.384   5.281   0.331
  137    H1*    U  13           H1*        U  13 -15.039   5.961   0.405
  138    H3     U  13           H3         U  13 -13.967   2.614   3.433
  139    H5     U  13           H5         U  13 -13.904   6.230   5.615
  140    H6     U  13           H6         U  13 -14.832   7.321   3.708
  141   1H5*    C  14          1H5*        C  14 -14.214   7.644  -2.598
  142   2H5*    C  14          2H5*        C  14 -13.995   7.257  -0.872
  143    H4*    C  14           H4*        C  14 -12.494   9.462  -2.329
  144    H3*    C  14           H3*        C  14 -11.724   6.586  -1.818
  145    H2*    C  14           H2*        C  14  -9.497   7.211  -1.289
  146   2HO*    C  14          2HO*        C  14  -8.707   9.282  -1.796
  147    H1*    C  14           H1*        C  14 -10.145   9.546   0.060
  148   1H4     C  14          1H4         C  14  -9.340   5.207   4.661
  149   2H4     C  14          2H4         C  14 -10.963   4.616   4.402
  150    H5     C  14           H5         C  14 -12.399   5.425   2.602
  151    H6     C  14           H6         C  14 -12.539   6.939   0.726
  152   1H5*    A  15          1H5*        A  15  -8.436   7.200  -3.553
  153   2H5*    A  15          2H5*        A  15  -8.332   6.287  -5.081
  154    H4*    A  15           H4*        A  15  -6.413   5.673  -3.834
  155    H3*    A  15           H3*        A  15  -8.568   3.576  -3.589
  156    H2*    A  15           H2*        A  15  -7.186   2.255  -2.150
  157   2HO*    A  15          2HO*        A  15  -4.992   2.851  -1.816
  158    H1*    A  15           H1*        A  15  -6.331   4.359  -0.621
  159    H8     A  15           H8         A  15  -9.854   4.549  -1.998
  160   1H6     A  15          1H6         A  15 -11.515   2.135   3.548
  161   2H6     A  15          2H6         A  15 -12.155   2.798   2.056
  162    H2     A  15           H2         A  15  -7.028   2.243   3.156
  163   1H5*    C  16          1H5*        C  16  -5.021   1.510  -4.999
  164   2H5*    C  16          2H5*        C  16  -5.444   0.212  -6.150
  165    H4*    C  16           H4*        C  16  -4.112  -0.595  -4.222
  166    H3*    C  16           H3*        C  16  -6.966  -1.598  -4.371
  167    H2*    C  16           H2*        C  16  -6.448  -3.052  -2.537
  168   2HO*    C  16          2HO*        C  16  -4.307  -3.269  -1.807
  169    H1*    C  16           H1*        C  16  -5.053  -1.094  -1.161
  170   1H4     C  16          1H4         C  16 -10.944  -0.880   1.242
  171   2H4     C  16          2H4         C  16 -11.475   0.131  -0.085
  172    H5     C  16           H5         C  16 -10.035   0.690  -1.992
  173    H6     C  16           H6         C  16  -7.840   0.378  -2.955
  174   1H5*    G  17          1H5*        G  17  -4.387  -5.000  -4.314
  175   2H5*    G  17          2H5*        G  17  -4.897  -6.201  -5.529
  176    H4*    G  17           H4*        G  17  -4.559  -7.306  -3.403
  177    H3*    G  17           H3*        G  17  -7.492  -6.972  -4.075
  178    H2*    G  17           H2*        G  17  -8.002  -8.290  -2.132
  179   2HO*    G  17          2HO*        G  17  -6.240  -9.171  -0.896
  180    H1*    G  17           H1*        G  17  -6.264  -6.907  -0.529
  181    H8     G  17           H8         G  17  -7.684  -4.470  -3.053
  182    H1     G  17           H1         G  17 -11.645  -5.651   1.828
  183   1H2     G  17          1H2         G  17 -10.909  -7.364   3.024
  184   2H2     G  17          2H2         G  17  -9.430  -8.209   2.622
  185   1H5*    G  18          1H5*        G  18  -6.907 -11.117  -3.408
  186   2H5*    G  18          2H5*        G  18  -7.925 -12.112  -4.484
  187    H4*    G  18           H4*        G  18  -8.287 -12.591  -2.075
  188    H3*    G  18           H3*        G  18 -10.624 -11.302  -3.493
  189    H2*    G  18           H2*        G  18 -11.927 -11.740  -1.512
  190   2HO*    G  18          2HO*        G  18 -11.104 -13.751  -0.851
  191    H1*    G  18           H1*        G  18  -9.943 -10.791   0.141
  192    H8     G  18           H8         G  18  -9.911  -8.685  -3.009
  193    H1     G  18           H1         G  18 -14.585  -7.089   1.055
  194   1H2     G  18          1H2         G  18 -14.754  -8.605   2.657
  195   2H2     G  18          2H2         G  18 -13.712 -10.006   2.727
  196   1H5*    G  19          1H5*        G  19 -12.560 -16.563  -2.695
  197   2H5*    G  19          2H5*        G  19 -12.682 -14.946  -3.439
  198    H4*    G  19           H4*        G  19 -13.838 -15.935  -0.830
  199    H3*    G  19           H3*        G  19 -14.977 -14.482  -3.232
  200    H2*    G  19           H2*        G  19 -16.713 -13.639  -1.800
  201   2HO*    G  19          2HO*        G  19 -16.845 -14.352   0.365
  202    H1*    G  19           H1*        G  19 -14.971 -12.913   0.177
  203    H8     G  19           H8         G  19 -13.482 -12.574  -3.352
  204    H1     G  19           H1         G  19 -16.791  -7.468  -1.379
  205   1H2     G  19          1H2         G  19 -17.826  -7.917   0.516
  206   2H2     G  19          2H2         G  19 -17.696  -9.470   1.308
  207   1H5*    U  20          1H5*        U  20 -16.864 -13.952  -5.353
  208   2H5*    U  20          2H5*        U  20 -16.949 -14.597  -3.695
  209    H4*    U  20           H4*        U  20 -18.445 -15.800  -6.034
  210    H3*    U  20           H3*        U  20 -19.374 -13.765  -3.991
  211    H2*    U  20           H2*        U  20 -21.530 -14.764  -4.028
  212   2HO*    U  20          2HO*        U  20 -21.547 -15.039  -6.387
  213    H1*    U  20           H1*        U  20 -20.551 -17.381  -4.196
  214    H3     U  20           H3         U  20 -22.575 -17.123  -0.134
  215    H5     U  20           H5         U  20 -18.916 -15.115   0.391
  216    H6     U  20           H6         U  20 -18.543 -15.303  -1.993
  217   1H5*    G  21          1H5*        G  21 -19.889  -9.679  -3.974
  218   2H5*    G  21          2H5*        G  21 -19.266 -11.184  -3.242
  219    H4*    G  21           H4*        G  21 -22.209 -10.534  -3.255
  220    H3*    G  21           H3*        G  21 -20.147  -9.637  -1.234
  221    H2*    G  21           H2*        G  21 -21.775  -9.979   0.487
  222   2HO*    G  21          2HO*        G  21 -23.587 -10.510  -1.661
  223    H1*    G  21           H1*        G  21 -22.527 -12.410  -0.406
  224    H8     G  21           H8         G  21 -18.826 -11.812  -1.147
  225    H1     G  21           H1         G  21 -19.987 -14.046   4.727
  226   1H2     G  21          1H2         G  21 -22.163 -14.054   5.129
  227   2H2     G  21          2H2         G  21 -23.330 -13.502   3.950
  228   1H5*    A  22          1H5*        A  22 -23.571  -6.916  -0.564
  229   2H5*    A  22          2H5*        A  22 -23.080  -5.536   0.456
  230    H4*    A  22           H4*        A  22 -24.708  -7.265   1.465
  231    H3*    A  22           H3*        A  22 -22.143  -6.513   2.878
  232    H2*    A  22           H2*        A  22 -22.848  -7.883   4.729
  233   2HO*    A  22          2HO*        A  22 -25.121  -7.383   4.634
  234    H1*    A  22           H1*        A  22 -23.572  -9.967   3.113
  235    H8     A  22           H8         A  22 -20.650  -8.667   1.275
  236   1H6     A  22          1H6         A  22 -16.992 -11.359   5.454
  237   2H6     A  22          2H6         A  22 -17.056 -10.582   3.888
  238    H2     A  22           H2         A  22 -21.170 -11.375   7.033
  239   1H5*    C  23          1H5*        C  23 -21.346  -4.293   5.769
  240   2H5*    C  23          2H5*        C  23 -21.398  -5.048   4.162
  241    H4*    C  23           H4*        C  23 -20.882  -6.862   6.438
  242    H3*    C  23           H3*        C  23 -18.882  -4.757   5.597
  243    H2*    C  23           H2*        C  23 -17.134  -6.375   5.831
  244   2HO*    C  23          2HO*        C  23 -17.673  -8.497   6.608
  245    H1*    C  23           H1*        C  23 -18.464  -8.315   4.476
  246   1H4     C  23          1H4         C  23 -15.325  -5.028  -0.003
  247   2H4     C  23          2H4         C  23 -16.677  -3.927  -0.162
  248    H5     C  23           H5         C  23 -18.641  -4.008   1.311
  249    H6     C  23           H6         C  23 -19.664  -5.166   3.179
  250   1H5*    C  24          1H5*        C  24 -17.320  -6.814   9.000
  251   2H5*    C  24          2H5*        C  24 -16.294  -5.743   9.991
  252    H4*    C  24           H4*        C  24 -15.151  -7.818   9.122
  253    H3*    C  24           H3*        C  24 -14.051  -5.145   8.217
  254    H2*    C  24           H2*        C  24 -12.217  -6.368   7.265
  255   2HO*    C  24          2HO*        C  24 -13.363  -8.649   8.564
  256    H1*    C  24           H1*        C  24 -13.865  -8.322   6.196
  257   1H4     C  24          1H4         C  24 -12.982  -4.048   1.528
  258   2H4     C  24          2H4         C  24 -14.270  -3.058   2.172
  259    H5     C  24           H5         C  24 -15.418  -3.562   4.276
  260    H6     C  24           H6         C  24 -15.542  -5.106   6.125
  261   1H5*    G  25          1H5*        G  25 -10.902  -7.253   9.977
  262   2H5*    G  25          2H5*        G  25  -9.747  -6.203  10.836
  263    H4*    G  25           H4*        G  25  -8.679  -7.591   9.072
  264    H3*    G  25           H3*        G  25  -8.684  -4.601   8.590
  265    H2*    G  25           H2*        G  25  -7.304  -4.999   6.668
  266   2HO*    G  25          2HO*        G  25  -6.511  -7.088   6.237
  267    H1*    G  25           H1*        G  25  -8.852  -7.056   5.756
  268    H8     G  25           H8         G  25 -11.325  -4.711   7.309
  269    H1     G  25           H1         G  25  -9.072  -2.539   1.728
  270   1H2     G  25          1H2         G  25  -7.321  -3.732   1.101
  271   2H2     G  25          2H2         G  25  -6.711  -5.068   2.051
  272   1H5*    U  26          1H5*        U  26  -4.983  -5.343   7.724
  273   2H5*    U  26          2H5*        U  26  -3.835  -4.178   8.437
  274    H4*    U  26           H4*        U  26  -3.839  -4.294   5.907
  275    H3*    U  26           H3*        U  26  -4.532  -1.664   7.235
  276    H2*    U  26           H2*        U  26  -4.587  -0.662   5.079
  277   2HO*    U  26          2HO*        U  26  -3.712  -1.702   3.274
  278    H1*    U  26           H1*        U  26  -5.715  -2.920   3.829
  279    H3     U  26           H3         U  26  -8.563   0.678   3.464
  280    H5     U  26           H5         U  26  -9.477  -1.141   7.143
  281    H6     U  26           H6         U  26  -7.494  -2.513   6.882
  282   1H5*    G  27          1H5*        G  27  -1.346  -1.319   4.354
  283   2H5*    G  27          2H5*        G  27  -0.087  -0.171   4.876
  284    H4*    G  27           H4*        G  27  -1.240   0.072   2.515
  285    H3*    G  27           H3*        G  27   0.206   1.893   3.986
  286    H2*    G  27           H2*        G  27  -1.705   2.717   5.162
  287   2HO*    G  27          2HO*        G  27  -1.779   4.392   2.875
  288    H1*    G  27           H1*        G  27  -3.171   2.726   2.502
  289    H8     G  27           H8         G  27  -4.016   1.302   5.990
  290    H1     G  27           H1         G  27  -7.916   5.924   3.911
  291   1H2     G  27          1H2         G  27  -7.172   6.760   2.001
  292   2H2     G  27          2H2         G  27  -5.714   6.166   1.239
  293   1H5*    G  28          1H5*        G  28  -0.344   3.923  -0.243
  294   2H5*    G  28          2H5*        G  28   0.430   3.025  -1.570
  295    H4*    G  28           H4*        G  28   1.082   5.284  -1.858
  296    H3*    G  28           H3*        G  28   3.220   3.540  -0.735
  297    H2*    G  28           H2*        G  28   4.627   5.277   0.011
  298   2HO*    G  28          2HO*        G  28   4.384   7.406  -0.727
  299    H1*    G  28           H1*        G  28   2.805   6.973   0.966
  300    H8     G  28           H8         G  28   0.862   4.293   2.150
  301    H1     G  28           H1         G  28   6.602   3.988   4.890
  302   1H2     G  28          1H2         G  28   8.039   5.232   3.787
  303   2H2     G  28          2H2         G  28   7.587   6.152   2.372
  304   1H5*    U  29          1H5*        U  29   5.801   6.003  -2.520
  305   2H5*    U  29          2H5*        U  29   6.793   5.115  -3.707
  306    H4*    U  29           H4*        U  29   8.132   6.317  -1.963
  307    H3*    U  29           H3*        U  29   8.311   3.296  -2.093
  308    H2*    U  29           H2*        U  29   9.971   3.350  -0.345
  309   2HO*    U  29          2HO*        U  29  10.672   5.353   0.492
  310    H1*    U  29           H1*        U  29   8.417   4.811   1.295
  311    H3     U  29           H3         U  29   8.213   0.179   1.804
  312    H5     U  29           H5         U  29   4.561   1.571   0.262
  313    H6     U  29           H6         U  29   5.631   3.687  -0.174
  314   1H5*    C  30          1H5*        C  30  12.774   3.749  -3.156
  315   2H5*    C  30          2H5*        C  30  12.905   2.350  -4.257
  316    H4*    C  30           H4*        C  30  14.305   2.388  -2.053
  317    H3*    C  30           H3*        C  30  12.592  -0.015  -2.755
  318    H2*    C  30           H2*        C  30  13.681  -1.117  -0.929
  319   2HO*    C  30          2HO*        C  30  15.457  -0.143   0.108
  320    H1*    C  30           H1*        C  30  13.538   1.150   0.688
  321   1H4     C  30          1H4         C  30   8.692  -2.582   2.429
  322   2H4     C  30          2H4         C  30   7.715  -1.987   1.101
  323    H5     C  30           H5         C  30   8.591  -0.456  -0.620
  324    H6     C  30           H6         C  30  10.561   0.764  -1.341
  325   1H5*    C  31          1H5*        C  31  16.910  -1.465  -2.290
  326   2H5*    C  31          2H5*        C  31  16.877  -3.107  -2.987
  327    H4*    C  31           H4*        C  31  17.445  -2.777  -0.447
  328    H3*    C  31           H3*        C  31  15.355  -4.792  -1.313
  329    H2*    C  31           H2*        C  31  15.453  -5.574   0.967
  330   2HO*    C  31          2HO*        C  31  17.007  -4.653   2.404
  331    H1*    C  31           H1*        C  31  15.463  -2.969   1.972
  332   1H4     C  31          1H4         C  31   9.408  -4.975   2.182
  333   2H4     C  31          2H4         C  31   9.177  -4.510   0.511
  334    H5     C  31           H5         C  31  11.008  -3.677  -0.912
  335    H6     C  31           H6         C  31  13.373  -3.172  -0.968
  336   1H5*    U  32          1H5*        U  32  17.836  -6.799   1.171
  337   2H5*    U  32          2H5*        U  32  18.462  -8.244   0.348
  338    H4*    U  32           H4*        U  32  17.731  -8.928   2.508
  339    H3*    U  32           H3*        U  32  15.600  -9.638   0.484
  340    H2*    U  32           H2*        U  32  14.509 -10.818   2.255
  341   2HO*    U  32          2HO*        U  32  15.538 -11.074   4.274
  342    H1*    U  32           H1*        U  32  14.916  -8.810   4.079
  343    H3     U  32           H3         U  32  10.488  -8.907   3.062
  344    H5     U  32           H5         U  32  12.252  -6.652  -0.012
  345    H6     U  32           H6         U  32  14.439  -7.296   0.861
  346   1H5*    C  33          1H5*        C  33  16.600 -13.007   2.856
  347   2H5*    C  33          2H5*        C  33  16.565 -14.509   1.899
  348    H4*    C  33           H4*        C  33  15.171 -14.637   3.952
  349    H3*    C  33           H3*        C  33  13.636 -14.697   1.342
  350    H2*    C  33           H2*        C  33  11.696 -15.205   2.633
  351   2HO*    C  33          2HO*        C  33  11.876 -15.627   4.877
  352    H1*    C  33           H1*        C  33  12.276 -13.344   4.593
  353   1H4     C  33          1H4         C  33   8.297 -10.465   0.509
  354   2H4     C  33          2H4         C  33   9.652  -9.977  -0.486
  355    H5     C  33           H5         C  33  11.964 -10.709  -0.051
  356    H6     C  33           H6         C  33  13.356 -12.040   1.408
  357   1H5*    C  34          1H5*        C  34  12.491 -17.999   3.859
  358   2H5*    C  34          2H5*        C  34  12.210 -19.433   2.845
  359    H4*    C  34           H4*        C  34  10.318 -18.823   4.396
  360    H3*    C  34           H3*        C  34   9.790 -18.849   1.414
  361    H2*    C  34           H2*        C  34   7.479 -18.479   1.891
  362   2HO*    C  34          2HO*        C  34   6.718 -18.598   4.052
  363    H1*    C  34           H1*        C  34   7.980 -16.634   3.915
  364   1H4     C  34          1H4         C  34   6.845 -13.272  -1.400
  365   2H4     C  34          2H4         C  34   8.556 -13.286  -1.773
  366    H5     C  34           H5         C  34  10.196 -14.582  -0.475
  367    H6     C  34           H6         C  34  10.472 -16.074   1.404
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  -3.815 -10.042   3.579
    2   2H5*    G   1          2H5*        G   1  -2.638 -10.459   2.333
    3    H4*    G   1           H4*        G   1  -3.570 -12.304   4.544
    4    H3*    G   1           H3*        G   1  -1.017 -10.707   4.240
    5    H2*    G   1           H2*        G   1   0.128 -12.455   5.394
    6   2HO*    G   1          2HO*        G   1  -1.045 -14.189   6.317
    7    H1*    G   1           H1*        G   1  -1.073 -14.460   3.981
    8    H8     G   1           H8         G   1  -0.572 -11.660   1.535
    9    H1     G   1           H1         G   1   4.859 -14.779   2.826
   10   1H2     G   1          1H2         G   1   4.581 -16.116   4.564
   11   2H2     G   1          2H2         G   1   3.050 -16.251   5.403
   12   1H5*    G   2          1H5*        G   2  -1.019 -11.919   8.359
   13   2H5*    G   2          2H5*        G   2  -0.299 -10.612   9.338
   14    H4*    G   2           H4*        G   2   0.842 -12.884   9.478
   15    H3*    G   2           H3*        G   2   2.456 -10.495   8.544
   16    H2*    G   2           H2*        G   2   4.386 -11.901   8.596
   17   2HO*    G   2          2HO*        G   2   4.362 -13.893   9.613
   18    H1*    G   2           H1*        G   2   3.050 -14.099   7.524
   19    H8     G   2           H8         G   2   1.805 -11.362   5.387
   20    H1     G   2           H1         G   2   7.974 -12.573   4.216
   21   1H2     G   2          1H2         G   2   8.831 -13.824   5.826
   22   2H2     G   2          2H2         G   2   7.879 -14.372   7.188
   23   1H5*    A   3          1H5*        A   3   4.751 -11.992  12.138
   24   2H5*    A   3          2H5*        A   3   5.105 -10.480  13.017
   25    H4*    A   3           H4*        A   3   7.138 -11.812  12.713
   26    H3*    A   3           H3*        A   3   7.060  -9.320  10.993
   27    H2*    A   3           H2*        A   3   9.358  -9.791  10.417
   28   2HO*    A   3          2HO*        A   3  10.391 -11.614  11.391
   29    H1*    A   3           H1*        A   3   8.824 -12.417   9.866
   30    H8     A   3           H8         A   3   5.711 -10.552   8.871
   31   1H6     A   3          1H6         A   3   8.643  -9.025   3.642
   32   2H6     A   3          2H6         A   3   7.104  -9.039   4.474
   33    H2     A   3           H2         A   3  11.619 -10.833   6.474
   34   1H5*    G   4          1H5*        G   4  10.615  -8.905  13.191
   35   2H5*    G   4          2H5*        G   4  10.855  -7.228  13.740
   36    H4*    G   4           H4*        G   4  12.798  -8.086  12.477
   37    H3*    G   4           H3*        G   4  11.239  -5.906  11.063
   38    H2*    G   4           H2*        G   4  12.984  -5.887   9.407
   39   2HO*    G   4          2HO*        G   4  14.776  -6.261  10.843
   40    H1*    G   4           H1*        G   4  13.000  -8.613   9.172
   41    H8     G   4           H8         G   4   9.423  -7.817   9.881
   42    H1     G   4           H1         G   4  11.152  -6.227   3.941
   43   1H2     G   4          1H2         G   4  13.352  -6.299   3.741
   44   2H2     G   4          2H2         G   4  14.392  -6.752   5.071
   45   1H5*    G   5          1H5*        G   5  15.333  -4.035  11.124
   46   2H5*    G   5          2H5*        G   5  14.959  -2.387  11.693
   47    H4*    G   5           H4*        G   5  16.305  -2.470   9.577
   48    H3*    G   5           H3*        G   5  13.548  -1.223   9.408
   49    H2*    G   5           H2*        G   5  14.079  -0.578   7.155
   50   2HO*    G   5          2HO*        G   5  16.205  -1.023   6.341
   51    H1*    G   5           H1*        G   5  15.114  -3.038   6.511
   52    H8     G   5           H8         G   5  12.300  -3.890   8.815
   53    H1     G   5           H1         G   5  10.220  -1.965   3.081
   54   1H2     G   5          1H2         G   5  11.877  -1.064   1.923
   55   2H2     G   5          2H2         G   5  13.496  -0.927   2.571
   56   1H5*    A   6          1H5*        A   6  16.622   1.775   7.926
   57   2H5*    A   6          2H5*        A   6  15.951   3.383   8.307
   58    H4*    A   6           H4*        A   6  16.608   2.909   5.862
   59    H3*    A   6           H3*        A   6  13.813   3.860   6.540
   60    H2*    A   6           H2*        A   6  13.420   4.041   4.184
   61   2HO*    A   6          2HO*        A   6  15.133   3.710   2.707
   62    H1*    A   6           H1*        A   6  14.586   1.624   3.617
   63    H8     A   6           H8         A   6  12.734   1.211   6.886
   64   1H6     A   6          1H6         A   6   7.585   0.461   3.553
   65   2H6     A   6          2H6         A   6   8.296   0.339   5.144
   66    H2     A   6           H2         A   6  10.837   1.865   0.803
   67   1H5*    C   7          1H5*        C   7  15.299   6.353   3.428
   68   2H5*    C   7          2H5*        C   7  14.607   7.990   3.569
   69    H4*    C   7           H4*        C   7  14.120   6.778   1.400
   70    H3*    C   7           H3*        C   7  11.754   7.571   3.108
   71    H2*    C   7           H2*        C   7  10.370   6.953   1.228
   72   2HO*    C   7          2HO*        C   7  11.390   6.264  -0.721
   73    H1*    C   7           H1*        C   7  11.709   4.584   0.872
   74   1H4     C   7          1H4         C   7   6.940   3.408   4.969
   75   2H4     C   7          2H4         C   7   8.018   3.725   6.310
   76    H5     C   7           H5         C   7  10.305   4.565   6.009
   77    H6     C   7           H6         C   7  11.939   5.248   4.370
   78   1H5*    A   8          1H5*        A   8  10.835   9.536  -0.639
   79   2H5*    A   8          2H5*        A   8  10.065  11.090  -0.217
   80    H4*    A   8           H4*        A   8   8.689   9.540  -1.677
   81    H3*    A   8           H3*        A   8   7.561  10.361   1.014
   82    H2*    A   8           H2*        A   8   5.509   9.286   0.336
   83   2HO*    A   8          2HO*        A   8   5.446   8.278  -1.762
   84    H1*    A   8           H1*        A   8   6.769   7.028  -0.427
   85    H8     A   8           H8         A   8   9.075   7.598   2.276
   86   1H6     A   8          1H6         A   8   4.617   6.573   6.424
   87   2H6     A   8          2H6         A   8   6.341   6.710   6.173
   88    H2     A   8           H2         A   8   2.699   7.240   2.439
   89   1H5*    U   9          1H5*        U   9   4.764  10.766  -1.340
   90   2H5*    U   9          2H5*        U   9   4.121  12.394  -1.679
   91    H4*    U   9           H4*        U   9   2.313  10.788  -1.445
   92    H3*    U   9           H3*        U   9   2.526  12.989   0.521
   93    H2*    U   9           H2*        U   9   1.185  11.993   2.137
   94   2HO*    U   9          2HO*        U   9  -0.546  10.712   1.709
   95    H1*    U   9           H1*        U   9   1.479   9.319   1.613
   96    H3     U   9           H3         U   9   2.664  10.598   5.936
   97    H5     U   9           H5         U   9   6.168  10.567   3.620
   98    H6     U   9           H6         U   9   4.769  10.354   1.644
   99   1H5*    U  10          1H5*        U  10  -2.360  12.538   1.430
  100   2H5*    U  10          2H5*        U  10  -2.547  13.897   0.295
  101    H4*    U  10           H4*        U  10  -3.295  14.145   2.817
  102    H3*    U  10           H3*        U  10  -2.686  16.112   0.957
  103    H2*    U  10           H2*        U  10  -0.348  16.096   1.558
  104   2HO*    U  10          2HO*        U  10  -1.564  18.081   3.183
  105    H1*    U  10           H1*        U  10  -1.267  16.093   4.436
  106    H3     U  10           H3         U  10   2.807  15.924   6.313
  107    H5     U  10           H5         U  10   3.419  14.039   2.602
  108    H6     U  10           H6         U  10   1.096  14.441   2.082
  109   1H5*    C  11          1H5*        C  11  -6.931  16.131   3.996
  110   2H5*    C  11          2H5*        C  11  -5.503  15.110   4.322
  111    H4*    C  11           H4*        C  11  -7.806  14.273   2.543
  112    H3*    C  11           H3*        C  11  -8.130  14.457   5.279
  113    H2*    C  11           H2*        C  11  -6.327  13.024   5.829
  114   2HO*    C  11          2HO*        C  11  -7.281  10.804   5.996
  115    H1*    C  11           H1*        C  11  -7.103  11.185   3.564
  116   1H4     C  11          1H4         C  11  -1.505   8.588   5.168
  117   2H4     C  11          2H4         C  11  -0.713  10.144   5.102
  118    H5     C  11           H5         C  11  -1.925  12.239   4.659
  119    H6     C  11           H6         C  11  -4.090  13.190   4.199
  120   1H5*    C  12          1H5*        C  12 -11.049  10.971   4.484
  121   2H5*    C  12          2H5*        C  12 -12.292  11.807   3.509
  122    H4*    C  12           H4*        C  12 -13.820  10.686   4.700
  123    H3*    C  12           H3*        C  12 -13.520  12.938   6.218
  124    H2*    C  12           H2*        C  12 -11.765  12.056   7.583
  125   2HO*    C  12          2HO*        C  12 -13.483  12.715   8.985
  126    H1*    C  12           H1*        C  12 -13.294   9.452   7.876
  127   1H4     C  12          1H4         C  12  -7.719   7.612  10.350
  128   2H4     C  12          2H4         C  12  -6.827   8.403   9.072
  129    H5     C  12           H5         C  12  -7.918   9.705   7.294
  130    H6     C  12           H6         C  12 -10.040  10.471   6.445
  131   1H5*    U  13          1H5*        U  13 -17.304   8.799   5.640
  132   2H5*    U  13          2H5*        U  13 -15.663   9.437   5.908
  133    H4*    U  13           H4*        U  13 -16.045  10.375   3.461
  134    H3*    U  13           H3*        U  13 -18.359   9.117   3.349
  135    H2*    U  13           H2*        U  13 -17.523   7.097   4.414
  136   2HO*    U  13          2HO*        U  13 -17.434   5.494   2.707
  137    H1*    U  13           H1*        U  13 -15.296   6.919   2.394
  138    H3     U  13           H3         U  13 -13.962   3.235   4.758
  139    H5     U  13           H5         U  13 -14.169   6.327   7.625
  140    H6     U  13           H6         U  13 -15.124   7.727   5.940
  141   1H5*    C  14          1H5*        C  14 -14.706   9.173  -0.414
  142   2H5*    C  14          2H5*        C  14 -14.339   8.499   1.194
  143    H4*    C  14           H4*        C  14 -12.814  10.757  -0.155
  144    H3*    C  14           H3*        C  14 -12.196   7.809   0.112
  145    H2*    C  14           H2*        C  14  -9.890   8.294   0.427
  146   2HO*    C  14          2HO*        C  14  -9.054  10.357  -0.025
  147    H1*    C  14           H1*        C  14 -10.290  10.549   1.987
  148   1H4     C  14          1H4         C  14  -9.213   5.795   6.108
  149   2H4     C  14          2H4         C  14 -10.915   5.407   6.098
  150    H5     C  14           H5         C  14 -12.516   6.502   4.612
  151    H6     C  14           H6         C  14 -12.772   8.148   2.865
  152   1H5*    A  15          1H5*        A  15  -9.137   8.560  -1.904
  153   2H5*    A  15          2H5*        A  15  -9.037   7.662  -3.439
  154    H4*    A  15           H4*        A  15  -7.048   7.174  -2.209
  155    H3*    A  15           H3*        A  15  -9.049   4.920  -2.056
  156    H2*    A  15           H2*        A  15  -7.540   3.632  -0.711
  157   2HO*    A  15          2HO*        A  15  -5.392   4.386  -0.378
  158    H1*    A  15           H1*        A  15  -6.820   5.728   0.906
  159    H8     A  15           H8         A  15 -10.408   5.903  -0.252
  160   1H6     A  15          1H6         A  15 -11.695   2.591   4.890
  161   2H6     A  15          2H6         A  15 -12.417   3.464   3.553
  162    H2     A  15           H2         A  15  -7.231   2.898   4.336
  163   1H5*    C  16          1H5*        C  16  -5.458   3.127  -3.422
  164   2H5*    C  16          2H5*        C  16  -5.755   1.928  -4.713
  165    H4*    C  16           H4*        C  16  -4.492   1.081  -2.694
  166    H3*    C  16           H3*        C  16  -7.124  -0.206  -3.446
  167    H2*    C  16           H2*        C  16  -6.761  -1.817  -1.719
  168   2HO*    C  16          2HO*        C  16  -4.753  -1.881  -0.611
  169    H1*    C  16           H1*        C  16  -5.850   0.049   0.107
  170   1H4     C  16          1H4         C  16 -12.101  -0.816   1.170
  171   2H4     C  16          2H4         C  16 -12.423   0.662   0.287
  172    H5     C  16           H5         C  16 -10.676   1.894  -0.934
  173    H6     C  16           H6         C  16  -8.332   1.915  -1.509
  174   1H5*    G  17          1H5*        G  17  -4.013  -3.168  -3.213
  175   2H5*    G  17          2H5*        G  17  -4.147  -4.364  -4.528
  176    H4*    G  17           H4*        G  17  -3.894  -5.464  -2.353
  177    H3*    G  17           H3*        G  17  -6.641  -5.748  -3.590
  178    H2*    G  17           H2*        G  17  -7.228  -7.228  -1.789
  179   2HO*    G  17          2HO*        G  17  -5.613  -7.820  -0.249
  180    H1*    G  17           H1*        G  17  -6.169  -5.597   0.142
  181    H8     G  17           H8         G  17  -7.579  -3.405  -2.613
  182    H1     G  17           H1         G  17 -12.027  -5.583   1.430
  183   1H2     G  17          1H2         G  17 -11.168  -7.128   2.762
  184   2H2     G  17          2H2         G  17  -9.493  -7.621   2.652
  185   1H5*    G  18          1H5*        G  18  -5.451  -9.590  -2.620
  186   2H5*    G  18          2H5*        G  18  -5.863 -10.773  -3.890
  187    H4*    G  18           H4*        G  18  -6.766 -11.388  -1.659
  188    H3*    G  18           H3*        G  18  -8.815 -10.680  -3.770
  189    H2*    G  18           H2*        G  18 -10.519 -11.350  -2.234
  190   2HO*    G  18          2HO*        G  18  -9.411 -13.245  -1.435
  191    H1*    G  18           H1*        G  18  -9.242 -10.201  -0.028
  192    H8     G  18           H8         G  18  -9.053  -7.876  -3.027
  193    H1     G  18           H1         G  18 -14.652  -7.583   0.074
  194   1H2     G  18          1H2         G  18 -14.803  -9.229   1.555
  195   2H2     G  18          2H2         G  18 -13.519 -10.395   1.783
  196   1H5*    G  19          1H5*        G  19 -11.117 -15.083  -5.407
  197   2H5*    G  19          2H5*        G  19 -11.490 -13.401  -5.874
  198    H4*    G  19           H4*        G  19 -12.723 -15.115  -3.732
  199    H3*    G  19           H3*        G  19 -13.808 -13.268  -5.873
  200    H2*    G  19           H2*        G  19 -15.800 -13.010  -4.554
  201   2HO*    G  19          2HO*        G  19 -16.040 -14.230  -2.621
  202    H1*    G  19           H1*        G  19 -14.430 -12.567  -2.238
  203    H8     G  19           H8         G  19 -12.656 -11.291  -5.412
  204    H1     G  19           H1         G  19 -16.663  -7.100  -2.719
  205   1H2     G  19          1H2         G  19 -17.788  -8.062  -1.087
  206   2H2     G  19          2H2         G  19 -17.548  -9.738  -0.648
  207   1H5*    U  20          1H5*        U  20 -15.704 -12.685  -8.235
  208   2H5*    U  20          2H5*        U  20 -15.668 -13.521  -6.667
  209    H4*    U  20           H4*        U  20 -16.861 -14.706  -9.188
  210    H3*    U  20           H3*        U  20 -18.211 -13.253  -6.895
  211    H2*    U  20           H2*        U  20 -20.074 -14.697  -7.140
  212   2HO*    U  20          2HO*        U  20 -20.121 -14.524  -9.495
  213    H1*    U  20           H1*        U  20 -18.499 -16.943  -7.854
  214    H3     U  20           H3         U  20 -20.383 -18.444  -4.072
  215    H5     U  20           H5         U  20 -17.904 -15.349  -2.708
  216    H6     U  20           H6         U  20 -17.418 -14.805  -5.094
  217   1H5*    G  21          1H5*        G  21 -19.094  -9.691  -5.989
  218   2H5*    G  21          2H5*        G  21 -18.487 -11.352  -5.743
  219    H4*    G  21           H4*        G  21 -21.438 -10.950  -5.689
  220    H3*    G  21           H3*        G  21 -19.607  -9.990  -3.485
  221    H2*    G  21           H2*        G  21 -21.205 -10.773  -1.890
  222   2HO*    G  21          2HO*        G  21 -23.136 -10.172  -2.961
  223    H1*    G  21           H1*        G  21 -21.633 -13.151  -3.147
  224    H8     G  21           H8         G  21 -18.029 -11.768  -3.276
  225    H1     G  21           H1         G  21 -19.232 -15.708   1.609
  226   1H2     G  21          1H2         G  21 -21.379 -16.236   1.659
  227   2H2     G  21          2H2         G  21 -22.520 -15.608   0.492
  228   1H5*    A  22          1H5*        A  22 -23.425  -8.150  -2.747
  229   2H5*    A  22          2H5*        A  22 -23.322  -6.699  -1.713
  230    H4*    A  22           H4*        A  22 -24.595  -8.592  -0.685
  231    H3*    A  22           H3*        A  22 -22.029  -7.779   0.697
  232    H2*    A  22           H2*        A  22 -22.655  -9.266   2.484
  233   2HO*    A  22          2HO*        A  22 -24.974  -8.832   2.331
  234    H1*    A  22           H1*        A  22 -23.254 -11.296   0.756
  235    H8     A  22           H8         A  22 -20.393  -9.341  -0.758
  236   1H6     A  22          1H6         A  22 -16.612 -12.628   2.852
  237   2H6     A  22          2H6         A  22 -16.703 -11.497   1.520
  238    H2     A  22           H2         A  22 -20.823 -13.430   4.125
  239   1H5*    C  23          1H5*        C  23 -23.171  -7.409   3.376
  240   2H5*    C  23          2H5*        C  23 -22.629  -6.201   4.564
  241    H4*    C  23           H4*        C  23 -21.474  -8.482   4.602
  242    H3*    C  23           H3*        C  23 -19.822  -5.974   4.247
  243    H2*    C  23           H2*        C  23 -17.869  -7.351   4.459
  244   2HO*    C  23          2HO*        C  23 -19.701  -9.466   5.084
  245    H1*    C  23           H1*        C  23 -18.866  -9.325   2.800
  246   1H4     C  23          1H4         C  23 -15.439  -5.401  -0.902
  247   2H4     C  23          2H4         C  23 -16.860  -4.420  -1.183
  248    H5     C  23           H5         C  23 -18.993  -4.804  -0.029
  249    H6     C  23           H6         C  23 -20.144  -6.202   1.575
  250   1H5*    C  24          1H5*        C  24 -18.313  -8.140   7.545
  251   2H5*    C  24          2H5*        C  24 -17.664  -7.077   8.821
  252    H4*    C  24           H4*        C  24 -16.019  -8.757   7.974
  253    H3*    C  24           H3*        C  24 -15.356  -5.854   7.422
  254    H2*    C  24           H2*        C  24 -13.211  -6.618   6.667
  255   2HO*    C  24          2HO*        C  24 -12.621  -8.815   6.932
  256    H1*    C  24           H1*        C  24 -14.293  -8.769   5.274
  257   1H4     C  24          1H4         C  24 -13.605  -4.118   0.960
  258   2H4     C  24          2H4         C  24 -15.080  -3.353   1.509
  259    H5     C  24           H5         C  24 -16.357  -4.158   3.441
  260    H6     C  24           H6         C  24 -16.449  -5.831   5.176
  261   1H5*    G  25          1H5*        G  25 -12.193  -7.610   9.633
  262   2H5*    G  25          2H5*        G  25 -11.426  -6.476  10.773
  263    H4*    G  25           H4*        G  25  -9.831  -7.589   9.194
  264    H3*    G  25           H3*        G  25 -10.111  -4.580   9.003
  265    H2*    G  25           H2*        G  25  -8.329  -4.590   7.406
  266   2HO*    G  25          2HO*        G  25  -7.196  -6.539   6.970
  267    H1*    G  25           H1*        G  25  -9.320  -6.741   6.012
  268    H8     G  25           H8         G  25 -12.407  -4.892   6.989
  269    H1     G  25           H1         G  25  -9.136  -1.867   2.387
  270   1H2     G  25          1H2         G  25  -7.112  -2.750   2.194
  271   2H2     G  25          2H2         G  25  -6.574  -4.082   3.190
  272   1H5*    U  26          1H5*        U  26  -6.075  -5.030   9.135
  273   2H5*    U  26          2H5*        U  26  -5.300  -3.764  10.125
  274    H4*    U  26           H4*        U  26  -4.642  -3.869   7.656
  275    H3*    U  26           H3*        U  26  -5.754  -1.308   8.824
  276    H2*    U  26           H2*        U  26  -5.343  -0.238   6.728
  277   2HO*    U  26          2HO*        U  26  -3.916  -2.627   6.040
  278    H1*    U  26           H1*        U  26  -6.169  -2.420   5.204
  279    H3     U  26           H3         U  26  -9.018   1.211   4.761
  280    H5     U  26           H5         U  26 -10.567  -1.161   7.873
  281    H6     U  26           H6         U  26  -8.512  -2.441   7.831
  282   1H5*    G  27          1H5*        G  27  -1.944  -0.959   6.841
  283   2H5*    G  27          2H5*        G  27  -0.902   0.363   7.424
  284    H4*    G  27           H4*        G  27  -1.882   0.096   4.872
  285    H3*    G  27           H3*        G  27  -0.194   1.923   6.080
  286    H2*    G  27           H2*        G  27  -1.887   3.351   6.883
  287   2HO*    G  27          2HO*        G  27  -2.198   5.075   5.339
  288    H1*    G  27           H1*        G  27  -3.470   3.005   4.339
  289    H8     G  27           H8         G  27  -4.194   2.343   8.061
  290    H1     G  27           H1         G  27  -7.796   6.879   5.373
  291   1H2     G  27          1H2         G  27  -7.145   7.265   3.299
  292   2H2     G  27          2H2         G  27  -5.816   6.390   2.569
  293   1H5*    G  28          1H5*        G  28  -1.828   3.604   1.265
  294   2H5*    G  28          2H5*        G  28  -2.472   2.209   0.360
  295    H4*    G  28           H4*        G  28  -1.410   3.278  -1.348
  296    H3*    G  28           H3*        G  28   0.661   1.543  -0.036
  297    H2*    G  28           H2*        G  28   2.451   2.520  -1.231
  298   2HO*    G  28          2HO*        G  28   2.008   4.034  -2.932
  299    H1*    G  28           H1*        G  28   1.727   5.072  -0.933
  300    H8     G  28           H8         G  28   0.422   3.518   2.234
  301    H1     G  28           H1         G  28   6.759   4.307   2.309
  302   1H2     G  28          1H2         G  28   7.500   4.810   0.290
  303   2H2     G  28          2H2         G  28   6.429   4.961  -1.085
  304   1H5*    U  29          1H5*        U  29   1.550   1.055  -4.119
  305   2H5*    U  29          2H5*        U  29   1.928  -0.647  -4.503
  306    H4*    U  29           H4*        U  29   3.766   0.928  -5.079
  307    H3*    U  29           H3*        U  29   4.369  -1.037  -2.854
  308    H2*    U  29           H2*        U  29   6.613  -0.260  -2.927
  309   2HO*    U  29          2HO*        U  29   7.346   1.053  -4.631
  310    H1*    U  29           H1*        U  29   5.875   2.404  -3.363
  311    H3     U  29           H3         U  29   8.031   1.880   0.745
  312    H5     U  29           H5         U  29   3.962   1.006   1.431
  313    H6     U  29           H6         U  29   3.614   1.069  -0.953
  314   1H5*    C  30          1H5*        C  30   7.528  -1.410  -5.777
  315   2H5*    C  30          2H5*        C  30   8.242  -3.040  -5.654
  316    H4*    C  30           H4*        C  30   9.704  -0.936  -5.106
  317    H3*    C  30           H3*        C  30   9.570  -3.360  -3.303
  318    H2*    C  30           H2*        C  30  11.232  -2.338  -1.923
  319   2HO*    C  30          2HO*        C  30  11.467  -0.370  -3.990
  320    H1*    C  30           H1*        C  30  10.126   0.204  -2.110
  321   1H4     C  30          1H4         C  30   8.064  -2.496   3.346
  322   2H4     C  30          2H4         C  30   6.539  -2.810   2.552
  323    H5     C  30           H5         C  30   6.172  -2.423   0.162
  324    H6     C  30           H6         C  30   7.208  -1.680  -1.888
  325   1H5*    C  31          1H5*        C  31  13.613  -2.598  -3.476
  326   2H5*    C  31          2H5*        C  31  14.455  -4.089  -3.978
  327    H4*    C  31           H4*        C  31  15.464  -3.207  -1.945
  328    H3*    C  31           H3*        C  31  13.805  -5.696  -1.486
  329    H2*    C  31           H2*        C  31  14.573  -5.702   0.782
  330   2HO*    C  31          2HO*        C  31  16.146  -4.110   1.431
  331    H1*    C  31           H1*        C  31  14.198  -2.995   1.114
  332   1H4     C  31          1H4         C  31   8.788  -5.754   3.076
  333   2H4     C  31          2H4         C  31   8.138  -5.643   1.455
  334    H5     C  31           H5         C  31   9.469  -4.879  -0.462
  335    H6     C  31           H6         C  31  11.646  -4.087  -1.142
  336   1H5*    U  32          1H5*        U  32  16.869  -6.976   0.737
  337   2H5*    U  32          2H5*        U  32  17.637  -8.263  -0.227
  338    H4*    U  32           H4*        U  32  17.412  -9.216   1.891
  339    H3*    U  32           H3*        U  32  14.978 -10.018   0.289
  340    H2*    U  32           H2*        U  32  14.316 -11.372   2.117
  341   2HO*    U  32          2HO*        U  32  15.686 -11.721   3.875
  342    H1*    U  32           H1*        U  32  14.797  -9.502   3.989
  343    H3     U  32           H3         U  32  10.338  -9.852   3.539
  344    H5     U  32           H5         U  32  11.470  -7.189   0.509
  345    H6     U  32           H6         U  32  13.814  -7.721   1.008
  346   1H5*    C  33          1H5*        C  33  16.725 -13.501   2.196
  347   2H5*    C  33          2H5*        C  33  16.324 -14.972   1.275
  348    H4*    C  33           H4*        C  33  15.560 -14.928   3.700
  349    H3*    C  33           H3*        C  33  13.445 -15.234   1.551
  350    H2*    C  33           H2*        C  33  11.898 -15.662   3.318
  351   2HO*    C  33          2HO*        C  33  12.624 -15.887   5.468
  352    H1*    C  33           H1*        C  33  12.850 -13.616   4.903
  353   1H4     C  33          1H4         C  33   7.933 -11.193   1.635
  354   2H4     C  33          2H4         C  33   8.993 -10.801   0.298
  355    H5     C  33           H5         C  33  11.365 -11.463   0.233
  356    H6     C  33           H6         C  33  13.107 -12.627   1.438
  357   1H5*    C  34          1H5*        C  34  13.009 -18.317   4.567
  358   2H5*    C  34          2H5*        C  34  12.441 -19.804   3.772
  359    H4*    C  34           H4*        C  34  11.022 -18.987   5.698
  360    H3*    C  34           H3*        C  34   9.740 -19.217   2.963
  361    H2*    C  34           H2*        C  34   7.641 -18.729   3.997
  362   2HO*    C  34          2HO*        C  34   7.521 -18.609   6.311
  363    H1*    C  34           H1*        C  34   8.697 -16.758   5.667
  364   1H4     C  34          1H4         C  34   6.234 -13.734   0.603
  365   2H4     C  34          2H4         C  34   7.758 -13.898  -0.244
  366    H5     C  34           H5         C  34   9.649 -15.198   0.646
  367    H6     C  34           H6         C  34  10.398 -16.551   2.501
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  -2.374 -12.005   1.338
    2   2H5*    G   1          2H5*        G   1  -0.971 -12.230   0.294
    3    H4*    G   1           H4*        G   1  -1.984 -14.241   2.316
    4    H3*    G   1           H3*        G   1   0.341 -12.306   2.435
    5    H2*    G   1           H2*        G   1   1.532 -13.919   3.732
    6   2HO*    G   1          2HO*        G   1  -0.907 -15.415   3.730
    7    H1*    G   1           H1*        G   1   0.863 -16.022   2.129
    8    H8     G   1           H8         G   1   1.302 -13.097  -0.180
    9    H1     G   1           H1         G   1   6.878 -15.446   1.886
   10   1H2     G   1          1H2         G   1   6.542 -16.860   3.550
   11   2H2     G   1          2H2         G   1   4.939 -17.239   4.143
   12   1H5*    G   2          1H5*        G   2  -0.120 -13.668   6.480
   13   2H5*    G   2          2H5*        G   2   0.246 -12.313   7.583
   14    H4*    G   2           H4*        G   2   1.661 -14.414   7.862
   15    H3*    G   2           H3*        G   2   3.043 -11.788   7.247
   16    H2*    G   2           H2*        G   2   5.123 -12.915   7.588
   17   2HO*    G   2          2HO*        G   2   5.152 -15.044   8.441
   18    H1*    G   2           H1*        G   2   4.298 -15.229   6.265
   19    H8     G   2           H8         G   2   3.031 -12.611   4.005
   20    H1     G   2           H1         G   2   9.419 -12.869   3.866
   21   1H2     G   2          1H2         G   2  10.179 -14.053   5.573
   22   2H2     G   2          2H2         G   2   9.108 -14.793   6.743
   23   1H5*    A   3          1H5*        A   3   4.934 -13.145  11.067
   24   2H5*    A   3          2H5*        A   3   4.952 -11.667  12.067
   25    H4*    A   3           H4*        A   3   7.167 -12.718  12.012
   26    H3*    A   3           H3*        A   3   7.016 -10.133  10.440
   27    H2*    A   3           H2*        A   3   9.412 -10.277  10.205
   28   2HO*    A   3          2HO*        A   3  10.523 -12.025  11.232
   29    H1*    A   3           H1*        A   3   9.321 -12.909   9.453
   30    H8     A   3           H8         A   3   6.187 -11.379   8.047
   31   1H6     A   3          1H6         A   3   9.675  -9.147   3.447
   32   2H6     A   3          2H6         A   3   8.040  -9.415   4.009
   33    H2     A   3           H2         A   3  12.382 -10.757   6.644
   34   1H5*    G   4          1H5*        G   4  10.128  -9.517  13.203
   35   2H5*    G   4          2H5*        G   4  10.098  -7.867  13.873
   36    H4*    G   4           H4*        G   4  12.294  -8.452  12.891
   37    H3*    G   4           H3*        G   4  10.756  -6.314  11.396
   38    H2*    G   4           H2*        G   4  12.715  -6.005  10.038
   39   2HO*    G   4          2HO*        G   4  14.308  -6.310  11.692
   40    H1*    G   4           H1*        G   4  13.060  -8.692   9.643
   41    H8     G   4           H8         G   4   9.351  -8.278   9.801
   42    H1     G   4           H1         G   4  11.818  -6.124   4.315
   43   1H2     G   4          1H2         G   4  14.015  -5.982   4.468
   44   2H2     G   4          2H2         G   4  14.880  -6.431   5.921
   45   1H5*    G   5          1H5*        G   5  14.549  -4.197  12.188
   46   2H5*    G   5          2H5*        G   5  14.039  -2.564  12.688
   47    H4*    G   5           H4*        G   5  15.661  -2.629  10.760
   48    H3*    G   5           H3*        G   5  12.930  -1.415  10.265
   49    H2*    G   5           H2*        G   5  13.709  -0.761   8.092
   50   2HO*    G   5          2HO*        G   5  15.910  -1.091   7.528
   51    H1*    G   5           H1*        G   5  14.871  -3.199   7.575
   52    H8     G   5           H8         G   5  11.826  -4.190   9.462
   53    H1     G   5           H1         G   5  10.396  -2.054   3.604
   54   1H2     G   5          1H2         G   5  12.153  -1.055   2.699
   55   2H2     G   5          2H2         G   5  13.677  -0.912   3.546
   56   1H5*    A   6          1H5*        A   6  16.098   1.586   9.129
   57   2H5*    A   6          2H5*        A   6  15.376   3.201   9.370
   58    H4*    A   6           H4*        A   6  16.306   2.545   7.017
   59    H3*    A   6           H3*        A   6  13.550   3.745   7.394
   60    H2*    A   6           H2*        A   6  13.363   3.826   5.012
   61   2HO*    A   6          2HO*        A   6  15.177   3.300   3.703
   62    H1*    A   6           H1*        A   6  14.448   1.324   4.644
   63    H8     A   6           H8         A   6  12.235   1.008   7.658
   64   1H6     A   6          1H6         A   6   7.440   0.645   3.781
   65   2H6     A   6          2H6         A   6   7.968   0.447   5.434
   66    H2     A   6           H2         A   6  11.048   1.932   1.439
   67   1H5*    C   7          1H5*        C   7  15.488   5.824   4.270
   68   2H5*    C   7          2H5*        C   7  15.026   7.544   4.280
   69    H4*    C   7           H4*        C   7  14.538   6.283   2.134
   70    H3*    C   7           H3*        C   7  12.226   7.541   3.613
   71    H2*    C   7           H2*        C   7  10.840   6.985   1.730
   72   2HO*    C   7          2HO*        C   7  11.779   6.174  -0.179
   73    H1*    C   7           H1*        C   7  11.941   4.454   1.471
   74   1H4     C   7          1H4         C   7   6.710   3.795   5.085
   75   2H4     C   7          2H4         C   7   7.685   4.014   6.523
   76    H5     C   7           H5         C   7  10.064   4.623   6.442
   77    H6     C   7           H6         C   7  11.909   5.128   4.964
   78   1H5*    A   8          1H5*        A   8  10.325  11.409   0.793
   79   2H5*    A   8          2H5*        A   8   9.571  10.290   1.960
   80    H4*    A   8           H4*        A   8   9.578  10.130  -1.060
   81    H3*    A   8           H3*        A   8   7.460  10.558   1.025
   82    H2*    A   8           H2*        A   8   5.905   9.091  -0.032
   83   2HO*    A   8          2HO*        A   8   7.804   8.954  -2.169
   84    H1*    A   8           H1*        A   8   7.581   7.075  -0.447
   85    H8     A   8           H8         A   8   9.440   7.974   2.459
   86   1H6     A   8          1H6         A   8   4.664   6.592   6.132
   87   2H6     A   8          2H6         A   8   6.383   6.905   6.069
   88    H2     A   8           H2         A   8   3.154   6.941   1.935
   89   1H5*    U   9          1H5*        U   9   5.345  10.608  -1.787
   90   2H5*    U   9          2H5*        U   9   4.510  12.080  -2.360
   91    H4*    U   9           H4*        U   9   2.941  10.242  -2.217
   92    H3*    U   9           H3*        U   9   2.572  12.562  -0.437
   93    H2*    U   9           H2*        U   9   1.355  11.453   1.200
   94   2HO*    U   9          2HO*        U   9  -0.237  10.007   0.755
   95    H1*    U   9           H1*        U   9   1.904   8.776   0.668
   96    H3     U   9           H3         U   9   2.317   9.927   5.158
   97    H5     U   9           H5         U   9   6.074  10.522   3.370
   98    H6     U   9           H6         U   9   5.009  10.233   1.208
   99   1H5*    U  10          1H5*        U  10  -2.205  11.343  -0.182
  100   2H5*    U  10          2H5*        U  10  -2.494  12.629  -1.379
  101    H4*    U  10           H4*        U  10  -3.669  12.722   0.977
  102    H3*    U  10           H3*        U  10  -3.165  14.764  -0.833
  103    H2*    U  10           H2*        U  10  -1.012  15.267   0.113
  104   2HO*    U  10          2HO*        U  10  -2.884  16.919   1.464
  105    H1*    U  10           H1*        U  10  -2.283  15.056   2.849
  106    H3     U  10           H3         U  10   1.519  15.702   5.167
  107    H5     U  10           H5         U  10   2.889  13.907   1.610
  108    H6     U  10           H6         U  10   0.604  13.853   0.839
  109   1H5*    C  11          1H5*        C  11  -7.365  15.751   2.505
  110   2H5*    C  11          2H5*        C  11  -5.800  15.015   2.947
  111    H4*    C  11           H4*        C  11  -8.534  13.717   3.021
  112    H3*    C  11           H3*        C  11  -7.339  15.167   5.069
  113    H2*    C  11           H2*        C  11  -5.448  13.731   5.226
  114   2HO*    C  11          2HO*        C  11  -6.501  13.722   7.284
  115    H1*    C  11           H1*        C  11  -7.323  11.388   4.871
  116   1H4     C  11          1H4         C  11  -1.936   8.027   4.484
  117   2H4     C  11          2H4         C  11  -1.083   9.356   3.735
  118    H5     C  11           H5         C  11  -2.138  11.530   3.298
  119    H6     C  11           H6         C  11  -4.180  12.802   3.476
  120   1H5*    C  12          1H5*        C  12 -11.075  12.018   5.046
  121   2H5*    C  12          2H5*        C  12 -12.315  13.155   4.442
  122    H4*    C  12           H4*        C  12 -13.643  11.629   5.543
  123    H3*    C  12           H3*        C  12 -13.644  13.989   6.884
  124    H2*    C  12           H2*        C  12 -11.777  13.442   8.294
  125   2HO*    C  12          2HO*        C  12 -12.678  12.827  10.372
  126    H1*    C  12           H1*        C  12 -12.977  10.720   8.869
  127   1H4     C  12          1H4         C  12  -7.142   9.839  11.275
  128   2H4     C  12          2H4         C  12  -6.399  10.429   9.807
  129    H5     C  12           H5         C  12  -7.697  11.305   7.912
  130    H6     C  12           H6         C  12  -9.929  11.760   7.111
  131   1H5*    U  13          1H5*        U  13 -17.621  10.598   5.048
  132   2H5*    U  13          2H5*        U  13 -16.942   9.013   5.489
  133    H4*    U  13           H4*        U  13 -15.951  10.894   3.351
  134    H3*    U  13           H3*        U  13 -17.924   9.221   2.823
  135    H2*    U  13           H2*        U  13 -16.966   7.443   4.178
  136   2HO*    U  13          2HO*        U  13 -16.208   5.849   2.588
  137    H1*    U  13           H1*        U  13 -14.412   7.681   2.587
  138    H3     U  13           H3         U  13 -12.954   4.243   5.270
  139    H5     U  13           H5         U  13 -14.094   7.319   7.929
  140    H6     U  13           H6         U  13 -14.958   8.519   6.064
  141   1H5*    C  14          1H5*        C  14 -13.579  12.717   1.359
  142   2H5*    C  14          2H5*        C  14 -13.915  12.138  -0.294
  143    H4*    C  14           H4*        C  14 -11.554  12.122  -0.104
  144    H3*    C  14           H3*        C  14 -12.495   9.305   0.526
  145    H2*    C  14           H2*        C  14 -10.198   8.677   0.622
  146   2HO*    C  14          2HO*        C  14  -8.572  10.117  -0.140
  147    H1*    C  14           H1*        C  14  -9.389  11.117   1.785
  148   1H4     C  14          1H4         C  14  -9.366   6.722   6.412
  149   2H4     C  14          2H4         C  14 -11.036   7.097   6.762
  150    H5     C  14           H5         C  14 -12.360   8.634   5.389
  151    H6     C  14           H6         C  14 -12.339  10.060   3.440
  152   1H5*    A  15          1H5*        A  15  -9.231   9.015  -2.437
  153   2H5*    A  15          2H5*        A  15  -9.700   7.681  -3.518
  154    H4*    A  15           H4*        A  15  -7.410   7.557  -2.289
  155    H3*    A  15           H3*        A  15  -9.403   5.289  -2.313
  156    H2*    A  15           H2*        A  15  -7.901   3.938  -1.012
  157   2HO*    A  15          2HO*        A  15  -5.782   4.768  -0.534
  158    H1*    A  15           H1*        A  15  -7.295   5.913   0.768
  159    H8     A  15           H8         A  15 -10.772   5.965  -0.735
  160   1H6     A  15          1H6         A  15 -12.401   2.650   4.316
  161   2H6     A  15          2H6         A  15 -13.033   3.457   2.894
  162    H2     A  15           H2         A  15  -7.946   3.238   4.249
  163   1H5*    C  16          1H5*        C  16  -5.906   3.403  -3.406
  164   2H5*    C  16          2H5*        C  16  -6.161   2.188  -4.688
  165    H4*    C  16           H4*        C  16  -5.194   1.239  -2.601
  166    H3*    C  16           H3*        C  16  -7.986   0.309  -3.319
  167    H2*    C  16           H2*        C  16  -7.822  -1.260  -1.519
  168   2HO*    C  16          2HO*        C  16  -5.799  -1.475  -0.394
  169    H1*    C  16           H1*        C  16  -6.605   0.563   0.193
  170   1H4     C  16          1H4         C  16 -12.777   0.664   1.738
  171   2H4     C  16          2H4         C  16 -13.121   1.767   0.420
  172    H5     C  16           H5         C  16 -11.420   2.452  -1.221
  173    H6     C  16           H6         C  16  -9.105   2.190  -1.881
  174   1H5*    G  17          1H5*        G  17  -5.010  -2.938  -3.046
  175   2H5*    G  17          2H5*        G  17  -5.334  -4.210  -4.251
  176    H4*    G  17           H4*        G  17  -4.887  -5.090  -1.962
  177    H3*    G  17           H3*        G  17  -7.654  -5.566  -3.093
  178    H2*    G  17           H2*        G  17  -8.138  -6.910  -1.160
  179   2HO*    G  17          2HO*        G  17  -6.458  -7.286   0.388
  180    H1*    G  17           H1*        G  17  -7.118  -5.076   0.593
  181    H8     G  17           H8         G  17  -8.565  -2.965  -2.135
  182    H1     G  17           H1         G  17 -13.070  -5.529   1.610
  183   1H2     G  17          1H2         G  17 -12.193  -7.090   2.905
  184   2H2     G  17          2H2         G  17 -10.493  -7.498   2.851
  185   1H5*    G  18          1H5*        G  18  -6.394  -9.234  -1.749
  186   2H5*    G  18          2H5*        G  18  -6.778 -10.548  -2.893
  187    H4*    G  18           H4*        G  18  -7.659 -10.912  -0.578
  188    H3*    G  18           H3*        G  18  -9.705 -10.603  -2.791
  189    H2*    G  18           H2*        G  18 -11.394 -11.169  -1.197
  190   2HO*    G  18          2HO*        G  18 -10.260 -12.875  -0.131
  191    H1*    G  18           H1*        G  18 -10.219  -9.668   0.851
  192    H8     G  18           H8         G  18 -10.022  -7.560  -2.241
  193    H1     G  18           H1         G  18 -15.917  -7.723   0.256
  194   1H2     G  18          1H2         G  18 -16.053  -9.307   1.795
  195   2H2     G  18          2H2         G  18 -14.692 -10.327   2.202
  196   1H5*    G  19          1H5*        G  19 -11.905 -14.468  -4.585
  197   2H5*    G  19          2H5*        G  19 -12.184 -12.717  -4.780
  198    H4*    G  19           H4*        G  19 -13.506 -14.594  -2.800
  199    H3*    G  19           H3*        G  19 -14.584 -12.943  -5.102
  200    H2*    G  19           H2*        G  19 -16.692 -12.891  -3.936
  201   2HO*    G  19          2HO*        G  19 -16.927 -14.059  -1.983
  202    H1*    G  19           H1*        G  19 -15.532 -12.183  -1.570
  203    H8     G  19           H8         G  19 -13.680 -10.837  -4.661
  204    H1     G  19           H1         G  19 -18.419  -7.085  -2.571
  205   1H2     G  19          1H2         G  19 -19.556  -8.108  -0.991
  206   2H2     G  19          2H2         G  19 -19.143  -9.712  -0.432
  207   1H5*    U  20          1H5*        U  20 -16.476 -12.504  -7.465
  208   2H5*    U  20          2H5*        U  20 -16.452 -13.394  -5.924
  209    H4*    U  20           H4*        U  20 -17.282 -14.646  -8.549
  210    H3*    U  20           H3*        U  20 -18.997 -13.350  -6.419
  211    H2*    U  20           H2*        U  20 -20.674 -14.976  -6.835
  212   2HO*    U  20          2HO*        U  20 -20.572 -16.295  -8.712
  213    H1*    U  20           H1*        U  20 -18.815 -17.051  -7.339
  214    H3     U  20           H3         U  20 -21.031 -18.602  -3.734
  215    H5     U  20           H5         U  20 -18.777 -15.404  -2.200
  216    H6     U  20           H6         U  20 -18.114 -14.861  -4.488
  217   1H5*    G  21          1H5*        G  21 -21.103 -10.492  -6.501
  218   2H5*    G  21          2H5*        G  21 -19.968 -11.655  -5.763
  219    H4*    G  21           H4*        G  21 -22.947 -11.776  -5.287
  220    H3*    G  21           H3*        G  21 -20.869 -10.250  -3.708
  221    H2*    G  21           H2*        G  21 -22.109 -10.757  -1.736
  222   2HO*    G  21          2HO*        G  21 -24.142 -11.636  -3.549
  223    H1*    G  21           H1*        G  21 -22.702 -13.357  -2.532
  224    H8     G  21           H8         G  21 -19.204 -11.682  -2.873
  225    H1     G  21           H1         G  21 -19.843 -15.753   2.010
  226   1H2     G  21          1H2         G  21 -21.915 -16.519   2.106
  227   2H2     G  21          2H2         G  21 -23.144 -16.027   0.966
  228   1H5*    A  22          1H5*        A  22 -24.193  -6.352  -1.365
  229   2H5*    A  22          2H5*        A  22 -22.713  -7.271  -0.980
  230    H4*    A  22           H4*        A  22 -25.592  -8.060  -0.505
  231    H3*    A  22           H3*        A  22 -23.184  -7.708   1.284
  232    H2*    A  22           H2*        A  22 -24.121  -9.325   2.789
  233   2HO*    A  22          2HO*        A  22 -26.371  -9.308   1.010
  234    H1*    A  22           H1*        A  22 -24.621 -11.112   0.820
  235    H8     A  22           H8         A  22 -21.611  -9.280  -0.435
  236   1H6     A  22          1H6         A  22 -18.189 -12.740   3.368
  237   2H6     A  22          2H6         A  22 -18.156 -11.605   2.038
  238    H2     A  22           H2         A  22 -22.491 -13.355   4.403
  239   1H5*    C  23          1H5*        C  23 -24.272  -7.393   3.772
  240   2H5*    C  23          2H5*        C  23 -23.763  -6.245   5.034
  241    H4*    C  23           H4*        C  23 -22.554  -8.447   5.057
  242    H3*    C  23           H3*        C  23 -20.903  -5.968   4.533
  243    H2*    C  23           H2*        C  23 -18.956  -7.358   4.703
  244   2HO*    C  23          2HO*        C  23 -19.152  -9.530   5.359
  245    H1*    C  23           H1*        C  23 -20.048  -9.366   3.149
  246   1H4     C  23          1H4         C  23 -16.764  -5.561  -0.805
  247   2H4     C  23          2H4         C  23 -18.196  -4.588  -1.063
  248    H5     C  23           H5         C  23 -20.284  -4.934   0.186
  249    H6     C  23           H6         C  23 -21.371  -6.280   1.881
  250   1H5*    C  24          1H5*        C  24 -19.203  -7.963   7.898
  251   2H5*    C  24          2H5*        C  24 -18.446  -6.803   9.024
  252    H4*    C  24           H4*        C  24 -16.899  -8.582   8.132
  253    H3*    C  24           H3*        C  24 -16.239  -5.709   7.429
  254    H2*    C  24           H2*        C  24 -14.158  -6.541   6.563
  255   2HO*    C  24          2HO*        C  24 -13.619  -8.758   6.841
  256    H1*    C  24           H1*        C  24 -15.374  -8.691   5.299
  257   1H4     C  24          1H4         C  24 -14.900  -4.077   0.910
  258   2H4     C  24          2H4         C  24 -16.385  -3.352   1.485
  259    H5     C  24           H5         C  24 -17.584  -4.168   3.467
  260    H6     C  24           H6         C  24 -17.571  -5.812   5.231
  261   1H5*    G  25          1H5*        G  25 -12.943  -7.525   9.267
  262   2H5*    G  25          2H5*        G  25 -11.970  -6.412  10.260
  263    H4*    G  25           H4*        G  25 -10.720  -7.660   8.443
  264    H3*    G  25           H3*        G  25 -10.735  -4.634   8.394
  265    H2*    G  25           H2*        G  25  -9.178  -4.737   6.575
  266   2HO*    G  25          2HO*        G  25  -8.363  -6.794   5.904
  267    H1*    G  25           H1*        G  25 -10.574  -6.685   5.242
  268    H8     G  25           H8         G  25 -13.379  -4.733   6.643
  269    H1     G  25           H1         G  25 -10.277  -1.438   2.104
  270   1H2     G  25          1H2         G  25  -8.337  -2.408   1.664
  271   2H2     G  25          2H2         G  25  -7.813  -3.866   2.475
  272   1H5*    U  26          1H5*        U  26  -6.838  -5.329   7.929
  273   2H5*    U  26          2H5*        U  26  -5.829  -4.256   8.935
  274    H4*    U  26           H4*        U  26  -5.476  -4.114   6.414
  275    H3*    U  26           H3*        U  26  -6.242  -1.637   7.971
  276    H2*    U  26           H2*        U  26  -6.018  -0.363   5.974
  277   2HO*    U  26          2HO*        U  26  -4.991  -1.222   4.143
  278    H1*    U  26           H1*        U  26  -7.082  -2.360   4.314
  279    H3     U  26           H3         U  26  -9.626   1.540   4.467
  280    H5     U  26           H5         U  26 -11.267  -1.136   7.270
  281    H6     U  26           H6         U  26  -9.305  -2.530   6.985
  282   1H5*    G  27          1H5*        G  27  -2.601  -1.459   5.603
  283   2H5*    G  27          2H5*        G  27  -1.358  -0.332   6.203
  284    H4*    G  27           H4*        G  27  -2.465  -0.246   3.716
  285    H3*    G  27           H3*        G  27  -0.581   1.329   4.945
  286    H2*    G  27           H2*        G  27  -2.172   2.662   6.107
  287   2HO*    G  27          2HO*        G  27  -2.353   4.662   4.942
  288    H1*    G  27           H1*        G  27  -3.804   2.839   3.556
  289    H8     G  27           H8         G  27  -4.536   1.831   7.208
  290    H1     G  27           H1         G  27  -7.848   6.845   5.037
  291   1H2     G  27          1H2         G  27  -7.176   7.384   3.001
  292   2H2     G  27          2H2         G  27  -5.917   6.494   2.176
  293   1H5*    G  28          1H5*        G  28  -1.676   2.914   0.179
  294   2H5*    G  28          2H5*        G  28  -1.959   1.460  -0.809
  295    H4*    G  28           H4*        G  28  -0.737   2.725  -2.277
  296    H3*    G  28           H3*        G  28   1.225   1.119  -0.660
  297    H2*    G  28           H2*        G  28   3.082   2.246  -1.601
  298   2HO*    G  28          2HO*        G  28   2.760   3.742  -3.337
  299    H1*    G  28           H1*        G  28   2.101   4.729  -1.392
  300    H8     G  28           H8         G  28   0.575   3.023   1.593
  301    H1     G  28           H1         G  28   6.772   4.366   2.417
  302   1H2     G  28          1H2         G  28   7.697   4.956   0.501
  303   2H2     G  28          2H2         G  28   6.785   5.024  -0.992
  304   1H5*    U  29          1H5*        U  29   2.641   0.685  -4.656
  305   2H5*    U  29          2H5*        U  29   3.220  -0.977  -4.955
  306    H4*    U  29           H4*        U  29   4.950   0.773  -5.361
  307    H3*    U  29           H3*        U  29   5.483  -1.132  -3.069
  308    H2*    U  29           H2*        U  29   7.630  -0.140  -2.868
  309   2HO*    U  29          2HO*        U  29   8.431   1.258  -4.473
  310    H1*    U  29           H1*        U  29   6.706   2.445  -3.386
  311    H3     U  29           H3         U  29   8.316   2.092   0.975
  312    H5     U  29           H5         U  29   4.316   0.766   1.097
  313    H6     U  29           H6         U  29   4.288   0.832  -1.311
  314   1H5*    C  30          1H5*        C  30   8.952  -1.115  -5.518
  315   2H5*    C  30          2H5*        C  30   9.814  -2.671  -5.384
  316    H4*    C  30           H4*        C  30  10.985  -0.477  -4.575
  317    H3*    C  30           H3*        C  30  10.872  -3.001  -2.916
  318    H2*    C  30           H2*        C  30  12.227  -1.922  -1.274
  319   2HO*    C  30          2HO*        C  30  13.212   0.091  -1.723
  320    H1*    C  30           H1*        C  30  10.919   0.520  -1.476
  321   1H4     C  30          1H4         C  30   8.421  -2.739   3.479
  322   2H4     C  30          2H4         C  30   7.028  -3.073   2.476
  323    H5     C  30           H5         C  30   6.933  -2.519   0.093
  324    H6     C  30           H6         C  30   8.159  -1.555  -1.747
  325   1H5*    C  31          1H5*        C  31  14.770  -1.923  -2.604
  326   2H5*    C  31          2H5*        C  31  15.843  -3.269  -3.070
  327    H4*    C  31           H4*        C  31  16.501  -2.423  -0.892
  328    H3*    C  31           H3*        C  31  15.075  -5.087  -0.752
  329    H2*    C  31           H2*        C  31  15.553  -5.145   1.593
  330   2HO*    C  31          2HO*        C  31  16.863  -3.475   2.518
  331    H1*    C  31           H1*        C  31  14.842  -2.522   1.996
  332   1H4     C  31          1H4         C  31   9.557  -5.943   3.062
  333   2H4     C  31          2H4         C  31   9.104  -5.767   1.381
  334    H5     C  31           H5         C  31  10.572  -4.729  -0.292
  335    H6     C  31           H6         C  31  12.722  -3.685  -0.628
  336   1H5*    U  32          1H5*        U  32  17.933  -6.077   1.789
  337   2H5*    U  32          2H5*        U  32  18.979  -7.243   0.943
  338    H4*    U  32           H4*        U  32  18.582  -8.248   3.012
  339    H3*    U  32           H3*        U  32  16.522  -9.322   1.081
  340    H2*    U  32           H2*        U  32  15.777 -10.778   2.803
  341   2HO*    U  32          2HO*        U  32  17.981  -9.780   4.329
  342    H1*    U  32           H1*        U  32  15.742  -8.887   4.714
  343    H3     U  32           H3         U  32  11.466  -9.747   3.611
  344    H5     U  32           H5         U  32  12.724  -6.955   0.748
  345    H6     U  32           H6         U  32  15.010  -7.212   1.600
  346   1H5*    C  33          1H5*        C  33  18.383 -12.555   3.221
  347   2H5*    C  33          2H5*        C  33  18.374 -14.051   2.255
  348    H4*    C  33           H4*        C  33  17.233 -14.218   4.501
  349    H3*    C  33           H3*        C  33  15.523 -14.689   2.045
  350    H2*    C  33           H2*        C  33  13.794 -15.385   3.538
  351   2HO*    C  33          2HO*        C  33  15.721 -15.104   5.632
  352    H1*    C  33           H1*        C  33  14.221 -13.310   5.302
  353   1H4     C  33          1H4         C  33   9.589 -11.354   1.374
  354   2H4     C  33          2H4         C  33  10.779 -10.793   0.219
  355    H5     C  33           H5         C  33  13.197 -11.170   0.501
  356    H6     C  33           H6         C  33  14.870 -12.164   1.934
  357   1H5*    C  34          1H5*        C  34  15.024 -17.924   4.862
  358   2H5*    C  34          2H5*        C  34  14.806 -19.438   3.953
  359    H4*    C  34           H4*        C  34  12.989 -18.916   5.624
  360    H3*    C  34           H3*        C  34  12.218 -19.156   2.705
  361    H2*    C  34           H2*        C  34   9.932 -18.997   3.381
  362   2HO*    C  34          2HO*        C  34  10.266 -20.368   5.311
  363    H1*    C  34           H1*        C  34  10.425 -17.006   5.272
  364   1H4     C  34          1H4         C  34   8.437 -14.035  -0.025
  365   2H4     C  34          2H4         C  34  10.085 -13.963  -0.612
  366    H5     C  34           H5         C  34  11.963 -15.066   0.536
  367    H6     C  34           H6         C  34  12.575 -16.415   2.444
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  -3.948  -7.198   3.251
    2   2H5*    G   1          2H5*        G   1  -2.830  -7.716   1.989
    3    H4*    G   1           H4*        G   1  -4.040  -9.522   4.095
    4    H3*    G   1           H3*        G   1  -1.279  -8.297   3.886
    5    H2*    G   1           H2*        G   1  -0.416 -10.249   4.954
    6   2HO*    G   1          2HO*        G   1  -1.801 -11.802   5.843
    7    H1*    G   1           H1*        G   1  -1.901 -11.985   3.449
    8    H8     G   1           H8         G   1  -0.924  -9.211   1.125
    9    H1     G   1           H1         G   1   3.930 -13.189   2.355
   10   1H2     G   1          1H2         G   1   3.418 -14.522   4.042
   11   2H2     G   1          2H2         G   1   1.873 -14.439   4.860
   12   1H5*    G   2          1H5*        G   2  -1.542  -9.684   7.986
   13   2H5*    G   2          2H5*        G   2  -0.588  -8.572   9.006
   14    H4*    G   2           H4*        G   2   0.098 -11.049   8.990
   15    H3*    G   2           H3*        G   2   2.129  -8.913   8.292
   16    H2*    G   2           H2*        G   2   3.784 -10.635   8.256
   17   2HO*    G   2          2HO*        G   2   3.063 -11.779  10.135
   18    H1*    G   2           H1*        G   2   2.108 -12.482   6.999
   19    H8     G   2           H8         G   2   1.430  -9.489   4.991
   20    H1     G   2           H1         G   2   7.402 -11.554   4.012
   21   1H2     G   2          1H2         G   2   7.975 -13.018   5.565
   22   2H2     G   2          2H2         G   2   6.884 -13.490   6.850
   23   1H5*    A   3          1H5*        A   3   4.046 -10.985  11.844
   24   2H5*    A   3          2H5*        A   3   4.469  -9.590  12.874
   25    H4*    A   3           H4*        A   3   6.401 -11.037  12.666
   26    H3*    A   3           H3*        A   3   6.674  -8.542  10.971
   27    H2*    A   3           H2*        A   3   8.951  -9.222  10.537
   28   2HO*    A   3          2HO*        A   3   9.761 -11.115  11.555
   29    H1*    A   3           H1*        A   3   8.213 -11.774   9.902
   30    H8     A   3           H8         A   3   5.324  -9.654   8.783
   31   1H6     A   3          1H6         A   3   8.649  -8.240   3.769
   32   2H6     A   3          2H6         A   3   7.070  -8.160   4.515
   33    H2     A   3           H2         A   3  11.323 -10.329   6.704
   34   1H5*    G   4          1H5*        G   4  10.118  -8.484  13.315
   35   2H5*    G   4          2H5*        G   4  10.463  -6.850  13.937
   36    H4*    G   4           H4*        G   4  12.393  -7.822  12.740
   37    H3*    G   4           H3*        G   4  11.088  -5.484  11.323
   38    H2*    G   4           H2*        G   4  12.917  -5.554   9.764
   39   2HO*    G   4          2HO*        G   4  14.602  -6.094  11.256
   40    H1*    G   4           H1*        G   4  12.747  -8.273   9.457
   41    H8     G   4           H8         G   4   9.202  -7.226   9.944
   42    H1     G   4           H1         G   4  11.452  -5.621   4.181
   43   1H2     G   4          1H2         G   4  13.648  -5.853   4.129
   44   2H2     G   4          2H2         G   4  14.558  -6.416   5.511
   45   1H5*    G   5          1H5*        G   5  15.331  -3.844  11.804
   46   2H5*    G   5          2H5*        G   5  14.970  -2.181  12.337
   47    H4*    G   5           H4*        G   5  16.508  -2.363  10.341
   48    H3*    G   5           H3*        G   5  13.878  -0.898   9.989
   49    H2*    G   5           H2*        G   5  14.610  -0.281   7.786
   50   2HO*    G   5          2HO*        G   5  16.723  -0.682   7.117
   51    H1*    G   5           H1*        G   5  15.493  -2.806   7.174
   52    H8     G   5           H8         G   5  12.481  -3.464   9.283
   53    H1     G   5           H1         G   5  10.916  -1.334   3.461
   54   1H2     G   5          1H2         G   5  12.707  -0.562   2.414
   55   2H2     G   5          2H2         G   5  14.290  -0.561   3.159
   56   1H5*    A   6          1H5*        A   6  17.188   2.092   8.737
   57   2H5*    A   6          2H5*        A   6  16.432   3.668   9.101
   58    H4*    A   6           H4*        A   6  17.232   3.182   6.671
   59    H3*    A   6           H3*        A   6  14.441   4.201   7.265
   60    H2*    A   6           H2*        A   6  14.109   4.388   4.900
   61   2HO*    A   6          2HO*        A   6  15.857   3.989   3.468
   62    H1*    A   6           H1*        A   6  15.200   1.940   4.362
   63    H8     A   6           H8         A   6  13.328   1.585   7.625
   64   1H6     A   6          1H6         A   6   8.169   1.005   4.279
   65   2H6     A   6          2H6         A   6   8.871   0.856   5.872
   66    H2     A   6           H2         A   6  11.469   2.299   1.539
   67   1H5*    C   7          1H5*        C   7  16.014   6.625   4.165
   68   2H5*    C   7          2H5*        C   7  15.366   8.281   4.290
   69    H4*    C   7           H4*        C   7  14.864   7.046   2.127
   70    H3*    C   7           H3*        C   7  12.524   7.987   3.797
   71    H2*    C   7           H2*        C   7  11.119   7.379   1.936
   72   2HO*    C   7          2HO*        C   7  12.535   8.023   0.225
   73    H1*    C   7           H1*        C   7  12.368   4.957   1.613
   74   1H4     C   7          1H4         C   7   7.512   4.012   5.671
   75   2H4     C   7          2H4         C   7   8.600   4.270   7.019
   76    H5     C   7           H5         C   7  10.930   4.998   6.733
   77    H6     C   7           H6         C   7  12.603   5.609   5.102
   78   1H5*    A   8          1H5*        A   8  11.699  10.192  -0.046
   79   2H5*    A   8          2H5*        A   8  10.833  11.647   0.519
   80    H4*    A   8           H4*        A   8   9.593  10.034  -1.073
   81    H3*    A   8           H3*        A   8   8.371  10.878   1.569
   82    H2*    A   8           H2*        A   8   6.370   9.708   0.898
   83   2HO*    A   8          2HO*        A   8   6.268   8.729  -1.161
   84    H1*    A   8           H1*        A   8   7.704   7.474   0.221
   85    H8     A   8           H8         A   8   9.965   8.380   2.906
   86   1H6     A   8          1H6         A   8   5.578   7.031   7.055
   87   2H6     A   8          2H6         A   8   7.281   7.352   6.824
   88    H2     A   8           H2         A   8   3.666   7.323   3.017
   89   1H5*    U   9          1H5*        U   9   5.570  10.974  -0.821
   90   2H5*    U   9          2H5*        U   9   4.789  12.535  -1.169
   91    H4*    U   9           H4*        U   9   3.170  10.703  -0.831
   92    H3*    U   9           H3*        U   9   3.132  13.158   0.750
   93    H2*    U   9           H2*        U   9   2.335  12.264   2.747
   94   2HO*    U   9          2HO*        U   9   0.592  10.574   1.319
   95    H1*    U   9           H1*        U   9   2.307   9.484   2.167
   96    H3     U   9           H3         U   9   3.325  10.359   6.590
   97    H5     U   9           H5         U   9   6.863  10.934   4.399
   98    H6     U   9           H6         U   9   5.586  10.729   2.388
   99   1H5*    U  10          1H5*        U  10  -2.361  11.588  -1.335
  100   2H5*    U  10          2H5*        U  10  -1.288  12.983  -1.085
  101    H4*    U  10           H4*        U  10  -3.424  11.871   0.747
  102    H3*    U  10           H3*        U  10  -3.602  14.039  -0.898
  103    H2*    U  10           H2*        U  10  -1.572  15.020  -0.010
  104   2HO*    U  10          2HO*        U  10  -3.754  16.174   1.395
  105    H1*    U  10           H1*        U  10  -2.738  14.519   2.729
  106    H3     U  10           H3         U  10   0.756  16.303   4.948
  107    H5     U  10           H5         U  10   2.544  14.672   1.505
  108    H6     U  10           H6         U  10   0.356  13.950   0.780
  109   1H5*    C  11          1H5*        C  11  -8.111  11.910   0.799
  110   2H5*    C  11          2H5*        C  11  -9.010  13.281   1.504
  111    H4*    C  11           H4*        C  11  -9.217  11.324   2.928
  112    H3*    C  11           H3*        C  11  -8.304  13.798   3.970
  113    H2*    C  11           H2*        C  11  -6.087  13.034   4.316
  114   2HO*    C  11          2HO*        C  11  -6.930  13.458   6.419
  115    H1*    C  11           H1*        C  11  -7.247  10.318   4.987
  116   1H4     C  11          1H4         C  11  -1.264   8.182   4.656
  117   2H4     C  11          2H4         C  11  -0.707   9.674   3.932
  118    H5     C  11           H5         C  11  -2.219  11.524   3.379
  119    H6     C  11           H6         C  11  -4.511  12.277   3.417
  120   1H5*    C  12          1H5*        C  12 -11.186  10.272   4.787
  121   2H5*    C  12          2H5*        C  12 -12.750  11.042   4.392
  122    H4*    C  12           H4*        C  12 -13.465   9.231   5.630
  123    H3*    C  12           H3*        C  12 -13.889  11.532   7.024
  124    H2*    C  12           H2*        C  12 -11.780  11.471   8.174
  125   2HO*    C  12          2HO*        C  12 -13.580  10.072   9.872
  126    H1*    C  12           H1*        C  12 -12.203   8.530   8.782
  127   1H4     C  12          1H4         C  12  -6.084   8.946  10.485
  128   2H4     C  12          2H4         C  12  -5.709   9.960   9.113
  129    H5     C  12           H5         C  12  -7.410  10.706   7.499
  130    H6     C  12           H6         C  12  -9.760  10.601   6.938
  131   1H5*    U  13          1H5*        U  13 -17.110   7.913   5.095
  132   2H5*    U  13          2H5*        U  13 -15.559   7.477   5.841
  133    H4*    U  13           H4*        U  13 -15.339   9.010   3.360
  134    H3*    U  13           H3*        U  13 -17.259   7.252   2.902
  135    H2*    U  13           H2*        U  13 -16.197   5.554   4.298
  136   2HO*    U  13          2HO*        U  13 -15.412   3.948   2.708
  137    H1*    U  13           H1*        U  13 -13.718   5.867   2.600
  138    H3     U  13           H3         U  13 -12.220   2.360   5.231
  139    H5     U  13           H5         U  13 -12.922   5.577   7.873
  140    H6     U  13           H6         U  13 -13.922   6.758   6.067
  141   1H5*    C  14          1H5*        C  14 -13.243  10.978   1.176
  142   2H5*    C  14          2H5*        C  14 -13.593  10.328  -0.447
  143    H4*    C  14           H4*        C  14 -11.223  10.552  -0.322
  144    H3*    C  14           H3*        C  14 -11.913   7.658   0.280
  145    H2*    C  14           H2*        C  14  -9.566   7.216   0.293
  146   2HO*    C  14          2HO*        C  14  -8.086   8.772  -0.490
  147    H1*    C  14           H1*        C  14  -8.926   9.667   1.513
  148   1H4     C  14          1H4         C  14  -8.554   5.168   6.023
  149   2H4     C  14          2H4         C  14 -10.231   5.452   6.414
  150    H5     C  14           H5         C  14 -11.656   6.943   5.110
  151    H6     C  14           H6         C  14 -11.760   8.412   3.203
  152   1H5*    A  15          1H5*        A  15  -8.741   7.668  -2.666
  153   2H5*    A  15          2H5*        A  15  -9.112   6.379  -3.834
  154    H4*    A  15           H4*        A  15  -6.821   6.297  -2.674
  155    H3*    A  15           H3*        A  15  -8.707   3.941  -2.630
  156    H2*    A  15           H2*        A  15  -7.095   2.657  -1.400
  157   2HO*    A  15          2HO*        A  15  -4.986   3.471  -1.079
  158    H1*    A  15           H1*        A  15  -6.472   4.667   0.346
  159    H8     A  15           H8         A  15 -10.047   4.546  -0.916
  160   1H6     A  15          1H6         A  15 -11.173   1.154   4.211
  161   2H6     A  15          2H6         A  15 -11.932   1.937   2.840
  162    H2     A  15           H2         A  15  -6.758   1.931   3.844
  163   1H5*    C  16          1H5*        C  16  -5.137   2.280  -3.972
  164   2H5*    C  16          2H5*        C  16  -5.394   1.079  -5.267
  165    H4*    C  16           H4*        C  16  -4.230   0.128  -3.299
  166    H3*    C  16           H3*        C  16  -7.031  -0.915  -3.785
  167    H2*    C  16           H2*        C  16  -6.627  -2.518  -2.047
  168   2HO*    C  16          2HO*        C  16  -4.544  -2.718  -1.134
  169    H1*    C  16           H1*        C  16  -5.428  -0.658  -0.385
  170   1H4     C  16          1H4         C  16 -11.520  -0.780   1.460
  171   2H4     C  16          2H4         C  16 -11.968   0.304   0.160
  172    H5     C  16           H5         C  16 -10.381   1.038  -1.565
  173    H6     C  16           H6         C  16  -8.096   0.867  -2.336
  174   1H5*    G  17          1H5*        G  17  -4.245  -4.203  -3.917
  175   2H5*    G  17          2H5*        G  17  -4.693  -5.411  -5.149
  176    H4*    G  17           H4*        G  17  -4.288  -6.414  -2.920
  177    H3*    G  17           H3*        G  17  -7.136  -6.545  -3.934
  178    H2*    G  17           H2*        G  17  -7.672  -7.905  -2.023
  179   2HO*    G  17          2HO*        G  17  -5.994  -8.542  -0.587
  180    H1*    G  17           H1*        G  17  -6.392  -6.248  -0.268
  181    H8     G  17           H8         G  17  -7.715  -3.896  -2.856
  182    H1     G  17           H1         G  17 -12.314  -6.123   0.986
  183   1H2     G  17          1H2         G  17 -11.560  -7.830   2.176
  184   2H2     G  17          2H2         G  17  -9.916  -8.409   2.032
  185   1H5*    G  18          1H5*        G  18  -6.314 -10.341  -2.762
  186   2H5*    G  18          2H5*        G  18  -6.842 -11.555  -3.955
  187    H4*    G  18           H4*        G  18  -7.752 -11.935  -1.662
  188    H3*    G  18           H3*        G  18  -9.771 -11.264  -3.817
  189    H2*    G  18           H2*        G  18 -11.493 -11.724  -2.224
  190   2HO*    G  18          2HO*        G  18 -10.548 -13.611  -1.283
  191    H1*    G  18           H1*        G  18 -10.112 -10.498  -0.115
  192    H8     G  18           H8         G  18  -9.774  -8.280  -3.134
  193    H1     G  18           H1         G  18 -15.510  -7.806  -0.324
  194   1H2     G  18          1H2         G  18 -15.771  -9.426   1.161
  195   2H2     G  18          2H2         G  18 -14.532 -10.624   1.457
  196   1H5*    G  19          1H5*        G  19 -12.634 -14.760  -5.510
  197   2H5*    G  19          2H5*        G  19 -12.674 -12.977  -5.524
  198    H4*    G  19           H4*        G  19 -13.915 -14.707  -3.365
  199    H3*    G  19           H3*        G  19 -15.206 -13.356  -5.749
  200    H2*    G  19           H2*        G  19 -17.189 -13.125  -4.406
  201   2HO*    G  19          2HO*        G  19 -17.309 -14.089  -2.366
  202    H1*    G  19           H1*        G  19 -15.784 -12.185  -2.246
  203    H8     G  19           H8         G  19 -14.436 -11.218  -5.730
  204    H1     G  19           H1         G  19 -18.655  -7.109  -3.242
  205   1H2     G  19          1H2         G  19 -19.484  -7.909  -1.373
  206   2H2     G  19          2H2         G  19 -19.001  -9.459  -0.725
  207   1H5*    U  20          1H5*        U  20 -16.975 -13.659  -8.377
  208   2H5*    U  20          2H5*        U  20 -17.009 -13.798  -6.605
  209    H4*    U  20           H4*        U  20 -19.101 -14.510  -8.620
  210    H3*    U  20           H3*        U  20 -19.108 -13.309  -5.846
  211    H2*    U  20           H2*        U  20 -21.371 -13.983  -5.594
  212   2HO*    U  20          2HO*        U  20 -22.568 -14.718  -7.423
  213    H1*    U  20           H1*        U  20 -21.029 -16.407  -6.987
  214    H3     U  20           H3         U  20 -21.063 -18.817  -3.224
  215    H5     U  20           H5         U  20 -19.103 -15.294  -2.027
  216    H6     U  20           H6         U  20 -19.273 -14.495  -4.306
  217   1H5*    G  21          1H5*        G  21 -22.112 -11.658  -6.528
  218   2H5*    G  21          2H5*        G  21 -22.161  -9.879  -6.586
  219    H4*    G  21           H4*        G  21 -23.769 -10.621  -4.963
  220    H3*    G  21           H3*        G  21 -21.262  -9.533  -3.679
  221    H2*    G  21           H2*        G  21 -22.238  -9.865  -1.539
  222   2HO*    G  21          2HO*        G  21 -24.353  -9.142  -1.942
  223    H1*    G  21           H1*        G  21 -23.357 -12.307  -2.137
  224    H8     G  21           H8         G  21 -19.793 -11.351  -3.372
  225    H1     G  21           H1         G  21 -19.994 -14.995   1.873
  226   1H2     G  21          1H2         G  21 -22.089 -15.320   2.502
  227   2H2     G  21          2H2         G  21 -23.441 -14.637   1.631
  228   1H5*    A  22          1H5*        A  22 -23.742  -5.158  -0.949
  229   2H5*    A  22          2H5*        A  22 -22.342  -6.239  -0.715
  230    H4*    A  22           H4*        A  22 -25.214  -6.652   0.121
  231    H3*    A  22           H3*        A  22 -22.560  -6.700   1.562
  232    H2*    A  22           H2*        A  22 -23.519  -8.197   3.178
  233   2HO*    A  22          2HO*        A  22 -25.672  -7.209   3.131
  234    H1*    A  22           H1*        A  22 -24.544  -9.841   1.289
  235    H8     A  22           H8         A  22 -21.480  -8.430  -0.336
  236   1H6     A  22          1H6         A  22 -18.151 -12.496   2.902
  237   2H6     A  22          2H6         A  22 -18.123 -11.326   1.602
  238    H2     A  22           H2         A  22 -22.321 -12.518   4.503
  239   1H5*    C  23          1H5*        C  23 -23.340  -6.316   4.212
  240   2H5*    C  23          2H5*        C  23 -22.470  -5.351   5.426
  241    H4*    C  23           H4*        C  23 -21.737  -7.763   5.196
  242    H3*    C  23           H3*        C  23 -19.701  -5.587   4.674
  243    H2*    C  23           H2*        C  23 -18.041  -7.314   4.541
  244   2HO*    C  23          2HO*        C  23 -20.143  -9.062   5.404
  245    H1*    C  23           H1*        C  23 -19.628  -8.965   2.995
  246   1H4     C  23          1H4         C  23 -16.091  -5.586  -1.111
  247   2H4     C  23          2H4         C  23 -17.292  -4.312  -1.112
  248    H5     C  23           H5         C  23 -19.252  -4.328   0.371
  249    H6     C  23           H6         C  23 -20.408  -5.566   2.101
  250   1H5*    C  24          1H5*        C  24 -18.214  -8.226   7.641
  251   2H5*    C  24          2H5*        C  24 -17.154  -7.408   8.819
  252    H4*    C  24           H4*        C  24 -16.091  -9.348   7.623
  253    H3*    C  24           H3*        C  24 -14.864  -6.617   7.167
  254    H2*    C  24           H2*        C  24 -13.080  -7.746   6.025
  255   2HO*    C  24          2HO*        C  24 -13.036 -10.055   6.002
  256    H1*    C  24           H1*        C  24 -14.807  -9.424   4.653
  257   1H4     C  24          1H4         C  24 -13.688  -4.472   0.772
  258   2H4     C  24          2H4         C  24 -14.979  -3.570   1.531
  259    H5     C  24           H5         C  24 -16.194  -4.384   3.499
  260    H6     C  24           H6         C  24 -16.393  -6.204   5.070
  261   1H5*    G  25          1H5*        G  25 -11.827  -9.130   8.399
  262   2H5*    G  25          2H5*        G  25 -10.757  -8.368   9.603
  263    H4*    G  25           H4*        G  25  -9.501  -9.322   7.703
  264    H3*    G  25           H3*        G  25  -9.473  -6.301   7.884
  265    H2*    G  25           H2*        G  25  -7.896  -6.291   6.080
  266   2HO*    G  25          2HO*        G  25  -7.118  -8.312   5.257
  267    H1*    G  25           H1*        G  25  -9.311  -8.100   4.586
  268    H8     G  25           H8         G  25 -12.039  -6.163   6.209
  269    H1     G  25           H1         G  25  -9.008  -2.721   1.744
  270   1H2     G  25          1H2         G  25  -7.122  -3.721   1.164
  271   2H2     G  25          2H2         G  25  -6.616  -5.240   1.869
  272   1H5*    U  26          1H5*        U  26  -5.662  -6.928   7.306
  273   2H5*    U  26          2H5*        U  26  -4.627  -6.022   8.441
  274    H4*    U  26           H4*        U  26  -4.214  -5.531   6.004
  275    H3*    U  26           H3*        U  26  -5.151  -3.255   7.767
  276    H2*    U  26           H2*        U  26  -4.832  -1.783   5.915
  277   2HO*    U  26          2HO*        U  26  -3.666  -2.430   4.093
  278    H1*    U  26           H1*        U  26  -5.754  -3.646   4.020
  279    H3     U  26           H3         U  26  -8.506   0.058   4.152
  280    H5     U  26           H5         U  26 -10.001  -2.621   7.039
  281    H6     U  26           H6         U  26  -7.999  -3.952   6.746
  282   1H5*    G  27          1H5*        G  27  -1.442  -2.606   5.694
  283   2H5*    G  27          2H5*        G  27  -0.293  -1.515   6.510
  284    H4*    G  27           H4*        G  27  -1.376  -1.126   4.015
  285    H3*    G  27           H3*        G  27   0.287   0.415   5.777
  286    H2*    G  27           H2*        G  27  -1.243   2.077   6.260
  287   2HO*    G  27          2HO*        G  27   0.049   3.159   4.695
  288    H1*    G  27           H1*        G  27  -2.862   1.592   3.778
  289    H8     G  27           H8         G  27  -3.540   1.016   7.523
  290    H1     G  27           H1         G  27  -7.003   5.658   4.817
  291   1H2     G  27          1H2         G  27  -6.354   5.996   2.734
  292   2H2     G  27          2H2         G  27  -5.068   5.061   2.002
  293   1H5*    G  28          1H5*        G  28  -1.736   3.456   0.796
  294   2H5*    G  28          2H5*        G  28  -1.587   1.810   0.131
  295    H4*    G  28           H4*        G  28  -0.423   3.394  -1.290
  296    H3*    G  28           H3*        G  28   1.382   1.567   0.289
  297    H2*    G  28           H2*        G  28   3.286   2.569  -0.714
  298   2HO*    G  28          2HO*        G  28   3.047   4.066  -2.422
  299    H1*    G  28           H1*        G  28   2.438   5.122  -0.422
  300    H8     G  28           H8         G  28   1.141   3.287   2.608
  301    H1     G  28           H1         G  28   7.347   4.737   3.012
  302   1H2     G  28          1H2         G  28   8.104   5.419   1.055
  303   2H2     G  28          2H2         G  28   7.075   5.528  -0.356
  304   1H5*    U  29          1H5*        U  29   2.715   1.587  -3.910
  305   2H5*    U  29          2H5*        U  29   3.189  -0.080  -4.337
  306    H4*    U  29           H4*        U  29   4.947   1.627  -4.817
  307    H3*    U  29           H3*        U  29   5.596  -0.434  -2.694
  308    H2*    U  29           H2*        U  29   7.798   0.449  -2.645
  309   2HO*    U  29          2HO*        U  29   8.542   1.849  -4.261
  310    H1*    U  29           H1*        U  29   6.953   3.098  -3.000
  311    H3     U  29           H3         U  29   9.007   2.632   1.156
  312    H5     U  29           H5         U  29   5.040   1.298   1.680
  313    H6     U  29           H6         U  29   4.748   1.444  -0.707
  314   1H5*    C  30          1H5*        C  30   8.814  -0.498  -5.489
  315   2H5*    C  30          2H5*        C  30   9.554  -2.121  -5.529
  316    H4*    C  30           H4*        C  30  11.023  -0.143  -4.764
  317    H3*    C  30           H3*        C  30  10.712  -2.625  -3.065
  318    H2*    C  30           H2*        C  30  12.309  -1.721  -1.540
  319   2HO*    C  30          2HO*        C  30  13.507   0.151  -2.093
  320    H1*    C  30           H1*        C  30  11.319   0.874  -1.704
  321   1H4     C  30          1H4         C  30   8.790  -1.814   3.539
  322   2H4     C  30          2H4         C  30   7.358  -2.194   2.613
  323    H5     C  30           H5         C  30   7.200  -1.851   0.195
  324    H6     C  30           H6         C  30   8.390  -1.085  -1.759
  325   1H5*    C  31          1H5*        C  31  14.721  -2.107  -2.912
  326   2H5*    C  31          2H5*        C  31  15.530  -3.576  -3.522
  327    H4*    C  31           H4*        C  31  16.503  -3.065  -1.398
  328    H3*    C  31           H3*        C  31  14.458  -5.279  -1.120
  329    H2*    C  31           H2*        C  31  15.157  -5.515   1.162
  330   2HO*    C  31          2HO*        C  31  17.451  -5.089   0.685
  331    H1*    C  31           H1*        C  31  15.137  -2.804   1.622
  332   1H4     C  31          1H4         C  31   9.289  -4.798   3.204
  333   2H4     C  31          2H4         C  31   8.769  -4.647   1.540
  334    H5     C  31           H5         C  31  10.307  -4.086  -0.290
  335    H6     C  31           H6         C  31  12.606  -3.571  -0.828
  336   1H5*    U  32          1H5*        U  32  17.315  -7.157   1.010
  337   2H5*    U  32          2H5*        U  32  17.836  -8.524  -0.005
  338    H4*    U  32           H4*        U  32  17.478  -9.479   2.102
  339    H3*    U  32           H3*        U  32  14.926  -9.832   0.519
  340    H2*    U  32           H2*        U  32  14.109 -11.141   2.325
  341   2HO*    U  32          2HO*        U  32  15.472 -11.691   4.067
  342    H1*    U  32           H1*        U  32  14.934  -9.416   4.233
  343    H3     U  32           H3         U  32  10.438  -9.209   3.868
  344    H5     U  32           H5         U  32  11.852  -6.491   1.020
  345    H6     U  32           H6         U  32  14.121  -7.357   1.412
  346   1H5*    C  33          1H5*        C  33  16.027 -13.595   2.273
  347   2H5*    C  33          2H5*        C  33  15.416 -14.939   1.278
  348    H4*    C  33           H4*        C  33  14.603 -14.879   3.686
  349    H3*    C  33           H3*        C  33  12.523 -14.728   1.487
  350    H2*    C  33           H2*        C  33  10.883 -14.983   3.207
  351   2HO*    C  33          2HO*        C  33  11.521 -15.406   5.359
  352    H1*    C  33           H1*        C  33  12.107 -13.183   4.895
  353   1H4     C  33          1H4         C  33   7.737  -9.903   1.583
  354   2H4     C  33          2H4         C  33   8.916  -9.579   0.329
  355    H5     C  33           H5         C  33  11.175 -10.567   0.331
  356    H6     C  33           H6         C  33  12.665 -12.044   1.529
  357   1H5*    C  34          1H5*        C  34  11.472 -17.810   4.328
  358   2H5*    C  34          2H5*        C  34  10.727 -19.158   3.439
  359    H4*    C  34           H4*        C  34   9.363 -18.216   5.351
  360    H3*    C  34           H3*        C  34   8.181 -18.156   2.563
  361    H2*    C  34           H2*        C  34   6.130 -17.410   3.541
  362   2HO*    C  34          2HO*        C  34   6.364 -18.878   5.428
  363    H1*    C  34           H1*        C  34   7.386 -15.672   5.322
  364   1H4     C  34          1H4         C  34   5.576 -12.201   0.261
  365   2H4     C  34          2H4         C  34   7.138 -12.477  -0.480
  366    H5     C  34           H5         C  34   8.820 -14.001   0.473
  367    H6     C  34           H6         C  34   9.287 -15.511   2.299
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  -2.221  -9.463   2.363
    2   2H5*    G   1          2H5*        G   1  -0.969  -9.712   1.146
    3    H4*    G   1           H4*        G   1  -2.010 -11.834   3.037
    4    H3*    G   1           H3*        G   1   0.543 -10.207   3.097
    5    H2*    G   1           H2*        G   1   1.627 -12.092   4.085
    6   2HO*    G   1          2HO*        G   1   0.457 -13.872   4.802
    7    H1*    G   1           H1*        G   1   0.521 -13.896   2.357
    8    H8     G   1           H8         G   1   1.169 -10.818   0.318
    9    H1     G   1           H1         G   1   6.519 -14.088   1.568
   10   1H2     G   1          1H2         G   1   6.133 -15.629   3.102
   11   2H2     G   1          2H2         G   1   4.551 -15.863   3.814
   12   1H5*    G   2          1H5*        G   2   0.267 -11.907   7.080
   13   2H5*    G   2          2H5*        G   2   0.971 -10.734   8.227
   14    H4*    G   2           H4*        G   2   2.042 -13.062   8.129
   15    H3*    G   2           H3*        G   2   3.747 -10.602   7.658
   16    H2*    G   2           H2*        G   2   5.653 -12.043   7.630
   17   2HO*    G   2          2HO*        G   2   5.451 -14.237   8.245
   18    H1*    G   2           H1*        G   2   4.363 -14.037   6.169
   19    H8     G   2           H8         G   2   3.286 -11.042   4.333
   20    H1     G   2           H1         G   2   9.539 -12.089   3.501
   21   1H2     G   2          1H2         G   2  10.278 -13.557   4.981
   22   2H2     G   2          2H2         G   2   9.229 -14.280   6.181
   23   1H5*    A   3          1H5*        A   3   5.809 -12.560  11.169
   24   2H5*    A   3          2H5*        A   3   5.959 -11.192  12.305
   25    H4*    A   3           H4*        A   3   8.105 -12.296  12.108
   26    H3*    A   3           H3*        A   3   8.040  -9.681  10.581
   27    H2*    A   3           H2*        A   3  10.411  -9.961  10.218
   28   2HO*    A   3          2HO*        A   3  11.474 -11.773  11.160
   29    H1*    A   3           H1*        A   3  10.122 -12.553   9.401
   30    H8     A   3           H8         A   3   6.979 -10.838   8.266
   31   1H6     A   3          1H6         A   3  10.234  -8.631   3.497
   32   2H6     A   3          2H6         A   3   8.634  -8.836   4.172
   33    H2     A   3           H2         A   3  13.084 -10.461   6.442
   34   1H5*    G   4          1H5*        G   4  11.322  -9.214  13.136
   35   2H5*    G   4          2H5*        G   4  11.362  -7.585  13.854
   36    H4*    G   4           H4*        G   4  13.482  -8.150  12.729
   37    H3*    G   4           H3*        G   4  11.868  -5.998  11.335
   38    H2*    G   4           H2*        G   4  13.756  -5.684   9.877
   39   2HO*    G   4          2HO*        G   4  15.421  -6.034  11.470
   40    H1*    G   4           H1*        G   4  14.045  -8.367   9.429
   41    H8     G   4           H8         G   4  10.359  -7.922   9.839
   42    H1     G   4           H1         G   4  12.487  -5.722   4.232
   43   1H2     G   4          1H2         G   4  14.694  -5.617   4.241
   44   2H2     G   4          2H2         G   4  15.642  -6.098   5.628
   45   1H5*    G   5          1H5*        G   5  15.730  -3.659  12.010
   46   2H5*    G   5          2H5*        G   5  15.048  -2.138  12.647
   47    H4*    G   5           H4*        G   5  16.609  -1.851  10.697
   48    H3*    G   5           H3*        G   5  13.733  -0.974  10.319
   49    H2*    G   5           H2*        G   5  14.383  -0.064   8.191
   50   2HO*    G   5          2HO*        G   5  16.467   0.736   8.801
   51    H1*    G   5           H1*        G   5  15.809  -2.297   7.475
   52    H8     G   5           H8         G   5  12.949  -3.726   9.403
   53    H1     G   5           H1         G   5  11.135  -1.576   3.660
   54   1H2     G   5          1H2         G   5  12.746  -0.368   2.742
   55   2H2     G   5          2H2         G   5  14.268  -0.079   3.553
   56   1H5*    A   6          1H5*        A   6  16.406   2.715   9.489
   57   2H5*    A   6          2H5*        A   6  15.332   4.094   9.857
   58    H4*    A   6           H4*        A   6  16.396   3.896   7.481
   59    H3*    A   6           H3*        A   6  13.435   4.387   7.889
   60    H2*    A   6           H2*        A   6  13.245   4.640   5.520
   61   2HO*    A   6          2HO*        A   6  15.138   4.668   4.216
   62    H1*    A   6           H1*        A   6  14.866   2.493   4.958
   63    H8     A   6           H8         A   6  12.794   1.431   7.905
   64   1H6     A   6          1H6         A   6   8.189   0.320   3.943
   65   2H6     A   6          2H6         A   6   8.759   0.105   5.580
   66    H2     A   6           H2         A   6  11.409   2.581   1.768
   67   1H5*    C   7          1H5*        C   7  14.798   7.309   5.048
   68   2H5*    C   7          2H5*        C   7  13.815   8.785   5.218
   69    H4*    C   7           H4*        C   7  13.753   7.622   2.945
   70    H3*    C   7           H3*        C   7  11.157   8.044   4.441
   71    H2*    C   7           H2*        C   7  10.015   7.289   2.460
   72   2HO*    C   7          2HO*        C   7  12.628   7.294   1.264
   73    H1*    C   7           H1*        C   7  11.718   5.156   2.120
   74   1H4     C   7          1H4         C   7   6.837   3.123   5.714
   75   2H4     C   7          2H4         C   7   7.769   3.466   7.153
   76    H5     C   7           H5         C   7   9.948   4.595   7.093
   77    H6     C   7           H6         C   7  11.591   5.595   5.637
   78   1H5*    A   8          1H5*        A   8  10.275   9.803   0.719
   79   2H5*    A   8          2H5*        A   8   9.339  11.296   0.993
   80    H4*    A   8           H4*        A   8   8.207   9.598  -0.471
   81    H3*    A   8           H3*        A   8   6.846  10.331   2.127
   82    H2*    A   8           H2*        A   8   4.960   9.009   1.405
   83   2HO*    A   8          2HO*        A   8   6.445   8.704  -1.024
   84    H1*    A   8           H1*        A   8   6.485   6.915   0.643
   85    H8     A   8           H8         A   8   8.484   8.090   3.445
   86   1H6     A   8          1H6         A   8   4.191   5.619   7.285
   87   2H6     A   8          2H6         A   8   5.799   6.294   7.188
   88    H2     A   8           H2         A   8   2.484   5.773   3.154
   89   1H5*    U   9          1H5*        U   9   4.102  10.235  -0.320
   90   2H5*    U   9          2H5*        U   9   3.238  11.745  -0.680
   91    H4*    U   9           H4*        U   9   1.662   9.931  -0.409
   92    H3*    U   9           H3*        U   9   1.637  12.179   1.498
   93    H2*    U   9           H2*        U   9   0.789  11.083   3.272
   94   2HO*    U   9          2HO*        U   9  -0.842   9.535   1.540
   95    H1*    U   9           H1*        U   9   0.945   8.325   2.450
   96    H3     U   9           H3         U   9   1.981   8.328   6.841
   97    H5     U   9           H5         U   9   5.316  10.038   4.964
   98    H6     U   9           H6         U   9   4.105  10.058   2.912
   99   1H5*    U  10          1H5*        U  10  -1.005  14.866   2.340
  100   2H5*    U  10          2H5*        U  10  -0.887  13.894   3.824
  101    H4*    U  10           H4*        U  10  -3.432  14.302   2.228
  102    H3*    U  10           H3*        U  10  -2.567  16.396   3.557
  103    H2*    U  10           H2*        U  10  -1.763  15.328   5.517
  104   2HO*    U  10          2HO*        U  10  -3.341  16.816   6.281
  105    H1*    U  10           H1*        U  10  -4.009  13.467   6.014
  106    H3     U  10           H3         U  10   0.039  12.464   8.389
  107    H5     U  10           H5         U  10  -0.104  10.394   4.714
  108    H6     U  10           H6         U  10  -1.935  11.712   4.102
  109   1H5*    C  11          1H5*        C  11  -7.907  16.776   3.789
  110   2H5*    C  11          2H5*        C  11  -6.957  15.291   4.070
  111    H4*    C  11           H4*        C  11  -9.349  15.730   2.298
  112    H3*    C  11           H3*        C  11  -9.171  14.404   4.713
  113    H2*    C  11           H2*        C  11  -7.586  12.799   3.946
  114   2HO*    C  11          2HO*        C  11  -9.434  11.637   4.698
  115    H1*    C  11           H1*        C  11  -9.184  12.554   1.384
  116   1H4     C  11          1H4         C  11  -4.147   9.267  -0.686
  117   2H4     C  11          2H4         C  11  -3.098   9.994   0.509
  118    H5     C  11           H5         C  11  -3.885  11.664   2.124
  119    H6     C  11           H6         C  11  -5.790  12.944   2.870
  120   1H5*    C  12          1H5*        C  12 -12.581  12.738   2.300
  121   2H5*    C  12          2H5*        C  12 -14.056  13.752   2.378
  122    H4*    C  12           H4*        C  12 -14.523  11.330   2.148
  123    H3*    C  12           H3*        C  12 -16.037  12.916   3.719
  124    H2*    C  12           H2*        C  12 -14.604  12.693   5.649
  125   2HO*    C  12          2HO*        C  12 -15.716  11.130   7.058
  126    H1*    C  12           H1*        C  12 -14.582   9.688   5.243
  127   1H4     C  12          1H4         C  12 -10.241  10.543   9.894
  128   2H4     C  12          2H4         C  12  -9.094  11.054   8.677
  129    H5     C  12           H5         C  12  -9.716  11.399   6.324
  130    H6     C  12           H6         C  12 -11.538  11.331   4.745
  131   1H5*    U  13          1H5*        U  13 -17.885   7.724   1.369
  132   2H5*    U  13          2H5*        U  13 -16.986   8.128   2.850
  133    H4*    U  13           H4*        U  13 -16.516   9.850   0.493
  134    H3*    U  13           H3*        U  13 -16.317   7.235  -0.223
  135    H2*    U  13           H2*        U  13 -14.995   6.634   1.707
  136   2HO*    U  13          2HO*        U  13 -13.900   6.044  -0.308
  137    H1*    U  13           H1*        U  13 -13.295   9.098   1.155
  138    H3     U  13           H3         U  13 -10.902   8.399   5.086
  139    H5     U  13           H5         U  13 -14.823   6.967   5.860
  140    H6     U  13           H6         U  13 -15.370   7.477   3.660
  141   1H5*    C  14          1H5*        C  14 -12.430   9.665  -0.990
  142   2H5*    C  14          2H5*        C  14 -12.002   9.549  -2.714
  143    H4*    C  14           H4*        C  14  -9.894   9.503  -1.810
  144    H3*    C  14           H3*        C  14 -10.742   6.612  -1.490
  145    H2*    C  14           H2*        C  14  -8.543   6.199  -0.643
  146   2HO*    C  14          2HO*        C  14  -7.809   8.855  -1.375
  147    H1*    C  14           H1*        C  14  -8.427   8.708   0.688
  148   1H4     C  14          1H4         C  14  -9.456   4.442   5.321
  149   2H4     C  14          2H4         C  14 -11.152   4.366   4.894
  150    H5     C  14           H5         C  14 -12.100   5.529   2.950
  151    H6     C  14           H6         C  14 -11.562   6.969   1.097
  152   1H5*    A  15          1H5*        A  15  -7.174   6.428  -3.530
  153   2H5*    A  15          2H5*        A  15  -7.203   5.258  -4.876
  154    H4*    A  15           H4*        A  15  -5.334   4.801  -3.384
  155    H3*    A  15           H3*        A  15  -7.579   2.781  -3.227
  156    H2*    A  15           H2*        A  15  -6.264   1.485  -1.696
  157   2HO*    A  15          2HO*        A  15  -4.074   2.062  -1.310
  158    H1*    A  15           H1*        A  15  -5.414   3.689  -0.255
  159    H8     A  15           H8         A  15  -8.967   4.315  -1.230
  160   1H6     A  15          1H6         A  15 -10.507   0.766   3.673
  161   2H6     A  15          2H6         A  15 -11.134   1.858   2.456
  162    H2     A  15           H2         A  15  -6.077   0.427   2.887
  163   1H5*    C  16          1H5*        C  16  -4.198   0.465  -4.139
  164   2H5*    C  16          2H5*        C  16  -4.561  -0.805  -5.341
  165    H4*    C  16           H4*        C  16  -3.608  -1.683  -3.213
  166    H3*    C  16           H3*        C  16  -6.448  -2.483  -3.882
  167    H2*    C  16           H2*        C  16  -6.402  -3.940  -1.990
  168   2HO*    C  16          2HO*        C  16  -4.444  -4.315  -0.869
  169    H1*    C  16           H1*        C  16  -5.078  -2.114  -0.372
  170   1H4     C  16          1H4         C  16 -11.289  -1.573   0.992
  171   2H4     C  16          2H4         C  16 -11.438  -0.307  -0.209
  172    H5     C  16           H5         C  16  -9.606   0.318  -1.726
  173    H6     C  16           H6         C  16  -7.319  -0.165  -2.343
  174   1H5*    G  17          1H5*        G  17  -4.070  -6.002  -3.278
  175   2H5*    G  17          2H5*        G  17  -4.411  -7.213  -4.541
  176    H4*    G  17           H4*        G  17  -4.482  -8.296  -2.388
  177    H3*    G  17           H3*        G  17  -7.250  -7.830  -3.519
  178    H2*    G  17           H2*        G  17  -8.148  -9.056  -1.654
  179   2HO*    G  17          2HO*        G  17  -6.719 -10.074  -0.176
  180    H1*    G  17           H1*        G  17  -6.596  -7.744   0.186
  181    H8     G  17           H8         G  17  -7.510  -5.380  -2.655
  182    H1     G  17           H1         G  17 -12.062  -5.952   1.792
  183   1H2     G  17          1H2         G  17 -11.577  -7.605   3.182
  184   2H2     G  17          2H2         G  17 -10.118  -8.556   3.019
  185   1H5*    G  18          1H5*        G  18  -7.274 -11.823  -2.566
  186   2H5*    G  18          2H5*        G  18  -7.994 -12.814  -3.862
  187    H4*    G  18           H4*        G  18  -9.109 -13.197  -1.706
  188    H3*    G  18           H3*        G  18 -10.794 -11.699  -3.728
  189    H2*    G  18           H2*        G  18 -12.633 -11.892  -2.205
  190   2HO*    G  18          2HO*        G  18 -12.201 -14.086  -1.544
  191    H1*    G  18           H1*        G  18 -11.054 -11.344   0.033
  192    H8     G  18           H8         G  18 -10.117  -9.092  -2.889
  193    H1     G  18           H1         G  18 -15.223  -7.062   0.395
  194   1H2     G  18          1H2         G  18 -15.875  -8.609   1.837
  195   2H2     G  18          2H2         G  18 -15.051 -10.145   1.987
  196   1H5*    G  19          1H5*        G  19 -14.645 -14.660  -5.296
  197   2H5*    G  19          2H5*        G  19 -14.440 -12.895  -5.474
  198    H4*    G  19           H4*        G  19 -15.546 -14.155  -2.960
  199    H3*    G  19           H3*        G  19 -17.078 -13.183  -5.381
  200    H2*    G  19           H2*        G  19 -18.837 -12.543  -3.872
  201   2HO*    G  19          2HO*        G  19 -18.686 -13.099  -1.652
  202    H1*    G  19           H1*        G  19 -17.071 -11.431  -2.051
  203    H8     G  19           H8         G  19 -16.763 -11.194  -5.939
  204    H1     G  19           H1         G  19 -19.016  -5.967  -3.008
  205   1H2     G  19          1H2         G  19 -19.199  -6.325  -0.842
  206   2H2     G  19          2H2         G  19 -18.762  -7.850  -0.107
  207   1H5*    U  20          1H5*        U  20 -18.809 -12.911  -7.675
  208   2H5*    U  20          2H5*        U  20 -19.251 -12.832  -5.951
  209    H4*    U  20           H4*        U  20 -20.903 -13.672  -8.319
  210    H3*    U  20           H3*        U  20 -21.426 -12.052  -5.811
  211    H2*    U  20           H2*        U  20 -23.745 -12.494  -6.067
  212   2HO*    U  20          2HO*        U  20 -23.844 -12.102  -8.352
  213    H1*    U  20           H1*        U  20 -23.348 -15.123  -7.002
  214    H3     U  20           H3         U  20 -24.771 -16.784  -3.113
  215    H5     U  20           H5         U  20 -22.412 -13.529  -1.887
  216    H6     U  20           H6         U  20 -21.921 -13.085  -4.222
  217   1H5*    G  21          1H5*        G  21 -22.157  -7.551  -5.848
  218   2H5*    G  21          2H5*        G  21 -20.985  -8.012  -4.585
  219    H4*    G  21           H4*        G  21 -23.956  -8.292  -4.645
  220    H3*    G  21           H3*        G  21 -21.885  -7.730  -2.514
  221    H2*    G  21           H2*        G  21 -23.419  -8.477  -0.859
  222   2HO*    G  21          2HO*        G  21 -25.320  -7.494  -1.714
  223    H1*    G  21           H1*        G  21 -24.319 -10.628  -2.280
  224    H8     G  21           H8         G  21 -20.562  -9.977  -2.663
  225    H1     G  21           H1         G  21 -22.111 -13.700   2.296
  226   1H2     G  21          1H2         G  21 -24.307 -13.760   2.552
  227   2H2     G  21          2H2         G  21 -25.391 -12.874   1.505
  228   1H5*    A  22          1H5*        A  22 -25.172  -5.161  -1.215
  229   2H5*    A  22          2H5*        A  22 -24.605  -3.950  -0.034
  230    H4*    A  22           H4*        A  22 -26.083  -5.850   0.854
  231    H3*    A  22           H3*        A  22 -23.361  -5.300   2.040
  232    H2*    A  22           H2*        A  22 -23.730  -7.024   3.646
  233   2HO*    A  22          2HO*        A  22 -25.973  -6.473   4.057
  234    H1*    A  22           H1*        A  22 -24.916  -8.749   1.826
  235    H8     A  22           H8         A  22 -22.081  -7.209  -0.020
  236   1H6     A  22          1H6         A  22 -18.269 -11.123   2.834
  237   2H6     A  22          2H6         A  22 -18.429  -9.955   1.543
  238    H2     A  22           H2         A  22 -22.237 -11.332   4.865
  239   1H5*    C  23          1H5*        C  23 -21.213  -3.126   3.840
  240   2H5*    C  23          2H5*        C  23 -21.994  -4.040   2.535
  241    H4*    C  23           H4*        C  23 -22.138  -5.638   4.864
  242    H3*    C  23           H3*        C  23 -19.453  -4.311   4.531
  243    H2*    C  23           H2*        C  23 -18.308  -6.383   4.809
  244   2HO*    C  23          2HO*        C  23 -19.474  -8.273   5.384
  245    H1*    C  23           H1*        C  23 -19.864  -7.788   3.118
  246   1H4     C  23          1H4         C  23 -15.404  -4.923  -0.492
  247   2H4     C  23          2H4         C  23 -16.567  -3.682  -0.896
  248    H5     C  23           H5         C  23 -18.782  -3.536   0.147
  249    H6     C  23           H6         C  23 -20.278  -4.553   1.747
  250   1H5*    C  24          1H5*        C  24 -18.858  -6.719   7.800
  251   2H5*    C  24          2H5*        C  24 -17.932  -5.904   9.089
  252    H4*    C  24           H4*        C  24 -16.853  -7.993   8.272
  253    H3*    C  24           H3*        C  24 -15.356  -5.429   7.676
  254    H2*    C  24           H2*        C  24 -13.534  -6.808   6.940
  255   2HO*    C  24          2HO*        C  24 -13.587  -9.053   7.253
  256    H1*    C  24           H1*        C  24 -15.195  -8.523   5.535
  257   1H4     C  24          1H4         C  24 -13.153  -4.140   1.347
  258   2H4     C  24          2H4         C  24 -14.483  -3.094   1.786
  259    H5     C  24           H5         C  24 -16.043  -3.611   3.607
  260    H6     C  24           H6         C  24 -16.598  -5.213   5.322
  261   1H5*    G  25          1H5*        G  25 -12.713  -7.924   9.659
  262   2H5*    G  25          2H5*        G  25 -11.754  -7.061  10.889
  263    H4*    G  25           H4*        G  25 -10.318  -8.324   9.348
  264    H3*    G  25           H3*        G  25 -10.149  -5.317   9.048
  265    H2*    G  25           H2*        G  25  -8.388  -5.642   7.471
  266   2HO*    G  25          2HO*        G  25  -8.507  -8.409   8.210
  267    H1*    G  25           H1*        G  25  -9.642  -7.730   6.176
  268    H8     G  25           H8         G  25 -12.352  -5.272   7.037
  269    H1     G  25           H1         G  25  -8.774  -3.379   2.070
  270   1H2     G  25          1H2         G  25  -6.964  -4.650   1.919
  271   2H2     G  25          2H2         G  25  -6.646  -5.963   3.028
  272   1H5*    U  26          1H5*        U  26  -6.179  -6.388   9.351
  273   2H5*    U  26          2H5*        U  26  -5.252  -5.158  10.250
  274    H4*    U  26           H4*        U  26  -4.551  -5.542   7.836
  275    H3*    U  26           H3*        U  26  -5.431  -2.773   8.687
  276    H2*    U  26           H2*        U  26  -4.812  -1.990   6.515
  277   2HO*    U  26          2HO*        U  26  -3.638  -3.342   5.090
  278    H1*    U  26           H1*        U  26  -5.795  -4.250   5.198
  279    H3     U  26           H3         U  26  -8.336  -0.665   3.933
  280    H5     U  26           H5         U  26  -9.970  -1.936   7.599
  281    H6     U  26           H6         U  26  -8.078  -3.425   7.850
  282   1H5*    G  27          1H5*        G  27  -1.648  -2.776   6.801
  283   2H5*    G  27          2H5*        G  27  -0.524  -1.516   7.365
  284    H4*    G  27           H4*        G  27  -1.323  -1.705   4.825
  285    H3*    G  27           H3*        G  27   0.015   0.301   6.196
  286    H2*    G  27           H2*        G  27  -1.927   1.492   6.821
  287   2HO*    G  27          2HO*        G  27  -0.656   2.916   5.496
  288    H1*    G  27           H1*        G  27  -3.122   0.969   4.100
  289    H8     G  27           H8         G  27  -4.438   0.109   7.588
  290    H1     G  27           H1         G  27  -7.643   4.755   4.579
  291   1H2     G  27          1H2         G  27  -6.613   5.293   2.696
  292   2H2     G  27          2H2         G  27  -5.140   4.501   2.187
  293   1H5*    G  28          1H5*        G  28  -1.511   1.752   1.301
  294   2H5*    G  28          2H5*        G  28  -1.770   0.321   0.272
  295    H4*    G  28           H4*        G  28  -0.813   1.708  -1.261
  296    H3*    G  28           H3*        G  28   1.458   0.323   0.140
  297    H2*    G  28           H2*        G  28   3.091   1.702  -0.881
  298   2HO*    G  28          2HO*        G  28   2.510   3.158  -2.552
  299    H1*    G  28           H1*        G  28   1.856   4.037  -0.491
  300    H8     G  28           H8         G  28   0.692   2.041   2.469
  301    H1     G  28           H1         G  28   6.736   4.021   3.065
  302   1H2     G  28          1H2         G  28   7.489   4.795   1.139
  303   2H2     G  28          2H2         G  28   6.498   4.831  -0.303
  304   1H5*    U  29          1H5*        U  29   2.662   0.136  -3.994
  305   2H5*    U  29          2H5*        U  29   3.464  -1.428  -4.313
  306    H4*    U  29           H4*        U  29   4.875   0.609  -4.768
  307    H3*    U  29           H3*        U  29   5.833  -1.306  -2.627
  308    H2*    U  29           H2*        U  29   7.830  -0.022  -2.519
  309   2HO*    U  29          2HO*        U  29   8.277   1.574  -4.097
  310    H1*    U  29           H1*        U  29   6.507   2.421  -2.847
  311    H3     U  29           H3         U  29   8.541   2.065   1.354
  312    H5     U  29           H5         U  29   4.714   0.336   1.730
  313    H6     U  29           H6         U  29   4.483   0.484  -0.664
  314   1H5*    C  30          1H5*        C  30   9.098  -0.736  -5.269
  315   2H5*    C  30          2H5*        C  30  10.140  -2.185  -5.285
  316    H4*    C  30           H4*        C  30  11.147   0.045  -4.433
  317    H3*    C  30           H3*        C  30  11.307  -2.508  -2.821
  318    H2*    C  30           H2*        C  30  12.619  -1.352  -1.199
  319   2HO*    C  30          2HO*        C  30  12.723   0.781  -3.107
  320    H1*    C  30           H1*        C  30  11.118   0.985  -1.319
  321   1H4     C  30          1H4         C  30   9.036  -2.458   3.687
  322   2H4     C  30          2H4         C  30   7.688  -2.982   2.707
  323    H5     C  30           H5         C  30   7.502  -2.483   0.317
  324    H6     C  30           H6         C  30   8.581  -1.405  -1.551
  325   1H5*    C  31          1H5*        C  31  15.157  -1.185  -2.452
  326   2H5*    C  31          2H5*        C  31  16.239  -2.441  -3.110
  327    H4*    C  31           H4*        C  31  17.053  -1.871  -0.932
  328    H3*    C  31           H3*        C  31  15.478  -4.456  -0.851
  329    H2*    C  31           H2*        C  31  16.126  -4.688   1.445
  330   2HO*    C  31          2HO*        C  31  17.574  -3.115   2.359
  331    H1*    C  31           H1*        C  31  15.568  -2.070   2.056
  332   1H4     C  31          1H4         C  31  10.172  -5.261   3.226
  333   2H4     C  31          2H4         C  31   9.672  -5.048   1.563
  334    H5     C  31           H5         C  31  11.123  -4.044  -0.145
  335    H6     C  31           H6         C  31  13.297  -3.071  -0.540
  336   1H5*    U  32          1H5*        U  32  18.524  -5.907   1.346
  337   2H5*    U  32          2H5*        U  32  19.357  -7.058   0.271
  338    H4*    U  32           H4*        U  32  19.078  -8.248   2.267
  339    H3*    U  32           H3*        U  32  16.732  -8.927   0.483
  340    H2*    U  32           H2*        U  32  16.059 -10.505   2.118
  341   2HO*    U  32          2HO*        U  32  17.383 -10.937   3.926
  342    H1*    U  32           H1*        U  32  16.404  -8.842   4.203
  343    H3     U  32           H3         U  32  11.987  -9.342   3.498
  344    H5     U  32           H5         U  32  13.104  -6.248   0.910
  345    H6     U  32           H6         U  32  15.455  -6.742   1.439
  346   1H5*    C  33          1H5*        C  33  18.438 -12.583   2.048
  347   2H5*    C  33          2H5*        C  33  18.091 -13.934   0.941
  348    H4*    C  33           H4*        C  33  17.195 -14.153   3.322
  349    H3*    C  33           H3*        C  33  15.219 -14.257   1.026
  350    H2*    C  33           H2*        C  33  13.579 -14.891   2.643
  351   2HO*    C  33          2HO*        C  33  15.753 -14.993   4.498
  352    H1*    C  33           H1*        C  33  14.380 -12.996   4.474
  353   1H4     C  33          1H4         C  33   9.647 -10.359   1.091
  354   2H4     C  33          2H4         C  33  10.799  -9.782  -0.094
  355    H5     C  33           H5         C  33  13.191 -10.369  -0.029
  356    H6     C  33           H6         C  33  14.869 -11.620   1.179
  357   1H5*    C  34          1H5*        C  34  14.620 -17.626   3.672
  358   2H5*    C  34          2H5*        C  34  14.151 -19.032   2.689
  359    H4*    C  34           H4*        C  34  12.571 -18.432   4.577
  360    H3*    C  34           H3*        C  34  11.508 -18.435   1.741
  361    H2*    C  34           H2*        C  34   9.323 -18.092   2.648
  362   2HO*    C  34          2HO*        C  34   9.039 -18.171   4.960
  363    H1*    C  34           H1*        C  34  10.193 -16.263   4.568
  364   1H4     C  34          1H4         C  34   8.017 -12.870  -0.401
  365   2H4     C  34          2H4         C  34   9.624 -12.862  -1.096
  366    H5     C  34           H5         C  34  11.497 -14.148  -0.149
  367    H6     C  34           H6         C  34  12.143 -15.651   1.627
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  -0.278 -12.379  -2.952
    2   2H5*    G   1          2H5*        G   1   1.346 -12.365  -3.641
    3    H4*    G   1           H4*        G   1   0.070 -14.717  -2.226
    4    H3*    G   1           H3*        G   1   2.131 -12.713  -1.275
    5    H2*    G   1           H2*        G   1   3.090 -14.451   0.057
    6   2HO*    G   1          2HO*        G   1   2.056 -16.424   0.324
    7    H1*    G   1           H1*        G   1   3.003 -16.305  -1.943
    8    H8     G   1           H8         G   1   3.769 -13.063  -3.653
    9    H1     G   1           H1         G   1   8.813 -15.411  -0.507
   10   1H2     G   1          1H2         G   1   8.185 -17.064   0.819
   11   2H2     G   1          2H2         G   1   6.523 -17.602   0.916
   12   1H5*    G   2          1H5*        G   2   0.849 -14.692   2.296
   13   2H5*    G   2          2H5*        G   2   0.824 -13.507   3.630
   14    H4*    G   2           H4*        G   2   2.311 -15.558   3.949
   15    H3*    G   2           H3*        G   2   3.552 -12.798   4.097
   16    H2*    G   2           H2*        G   2   5.581 -13.857   4.792
   17   2HO*    G   2          2HO*        G   2   5.602 -16.084   5.307
   18    H1*    G   2           H1*        G   2   5.329 -15.950   2.966
   19    H8     G   2           H8         G   2   4.400 -13.112   0.836
   20    H1     G   2           H1         G   2  10.588 -12.822   2.419
   21   1H2     G   2          1H2         G   2  11.023 -14.206   4.087
   22   2H2     G   2          2H2         G   2   9.787 -15.215   4.807
   23   1H5*    A   3          1H5*        A   3   4.851 -14.704   7.654
   24   2H5*    A   3          2H5*        A   3   4.351 -13.650   9.002
   25    H4*    A   3           H4*        A   3   6.658 -14.257   9.333
   26    H3*    A   3           H3*        A   3   6.430 -11.437   8.257
   27    H2*    A   3           H2*        A   3   8.800 -11.223   8.654
   28   2HO*    A   3          2HO*        A   3   9.928 -12.924   9.688
   29    H1*    A   3           H1*        A   3   9.354 -13.663   7.512
   30    H8     A   3           H8         A   3   6.508 -12.221   5.524
   31   1H6     A   3          1H6         A   3  10.708  -8.851   2.482
   32   2H6     A   3          2H6         A   3   9.040  -9.371   2.525
   33    H2     A   3           H2         A   3  12.709 -10.730   6.034
   34   1H5*    G   4          1H5*        G   4   8.865 -11.259  11.499
   35   2H5*    G   4          2H5*        G   4   8.440  -9.934  12.610
   36    H4*    G   4           H4*        G   4  10.818  -9.874  12.069
   37    H3*    G   4           H3*        G   4   9.252  -7.660  10.727
   38    H2*    G   4           H2*        G   4  11.362  -6.746  10.038
   39   2HO*    G   4          2HO*        G   4  13.313  -7.727  10.785
   40    H1*    G   4           H1*        G   4  12.356  -9.211   9.274
   41    H8     G   4           H8         G   4   8.695  -9.128   8.376
   42    H1     G   4           H1         G   4  12.375  -5.906   4.239
   43   1H2     G   4          1H2         G   4  14.413  -5.662   5.060
   44   2H2     G   4          2H2         G   4  14.871  -6.305   6.621
   45   1H5*    G   5          1H5*        G   5  12.181  -5.705  13.179
   46   2H5*    G   5          2H5*        G   5  11.548  -4.178  13.849
   47    H4*    G   5           H4*        G   5  13.661  -3.912  12.543
   48    H3*    G   5           H3*        G   5  11.188  -2.562  11.426
   49    H2*    G   5           H2*        G   5  12.572  -1.573   9.758
   50   2HO*    G   5          2HO*        G   5  14.834  -1.667   9.909
   51    H1*    G   5           H1*        G   5  14.076  -3.873   9.343
   52    H8     G   5           H8         G   5  10.497  -4.976   9.673
   53    H1     G   5           H1         G   5  11.759  -2.282   4.004
   54   1H2     G   5          1H2         G   5  13.733  -1.280   4.070
   55   2H2     G   5          2H2         G   5  14.740  -1.287   5.498
   56   1H5*    A   6          1H5*        A   6  14.175   0.512  11.561
   57   2H5*    A   6          2H5*        A   6  13.374   2.084  11.824
   58    H4*    A   6           H4*        A   6  14.707   1.666   9.611
   59    H3*    A   6           H3*        A   6  11.910   2.820   9.677
   60    H2*    A   6           H2*        A   6  11.966   3.023   7.322
   61   2HO*    A   6          2HO*        A   6  13.928   2.894   6.170
   62    H1*    A   6           H1*        A   6  13.486   0.691   6.902
   63    H8     A   6           H8         A   6  10.549  -0.002   9.218
   64   1H6     A   6          1H6         A   6   7.168  -0.816   4.054
   65   2H6     A   6          2H6         A   6   7.183  -0.994   5.801
   66    H2     A   6           H2         A   6  11.139   0.909   2.924
   67   1H5*    C   7          1H5*        C   7  14.182   5.385   7.079
   68   2H5*    C   7          2H5*        C   7  13.482   7.026   7.120
   69    H4*    C   7           H4*        C   7  13.388   5.815   4.879
   70    H3*    C   7           H3*        C   7  10.859   6.820   6.179
   71    H2*    C   7           H2*        C   7   9.581   6.058   4.317
   72   2HO*    C   7          2HO*        C   7  10.636   5.381   2.397
   73    H1*    C   7           H1*        C   7  11.029   3.705   3.976
   74   1H4     C   7          1H4         C   7   5.952   1.908   7.339
   75   2H4     C   7          2H4         C   7   6.620   2.595   8.805
   76    H5     C   7           H5         C   7   8.730   3.865   8.836
   77    H6     C   7           H6         C   7  10.537   4.689   7.454
   78   1H5*    A   8          1H5*        A   8  10.864   8.383   2.410
   79   2H5*    A   8          2H5*        A   8  10.548  10.130   2.232
   80    H4*    A   8           H4*        A   8   9.082   8.778   0.779
   81    H3*    A   8           H3*        A   8   7.759  10.298   3.026
   82    H2*    A   8           H2*        A   8   5.610   9.464   2.351
   83   2HO*    A   8          2HO*        A   8   5.526   8.050   0.472
   84    H1*    A   8           H1*        A   8   6.374   6.924   2.158
   85    H8     A   8           H8         A   8   8.712   7.721   4.798
   86   1H6     A   8          1H6         A   8   4.021   8.058   8.821
   87   2H6     A   8          2H6         A   8   5.759   7.955   8.653
   88    H2     A   8           H2         A   8   2.341   8.096   4.667
   89   1H5*    U   9          1H5*        U   9   5.372  10.618   0.307
   90   2H5*    U   9          2H5*        U   9   4.989  12.194  -0.422
   91    H4*    U   9           H4*        U   9   2.958  10.938   0.040
   92    H3*    U   9           H3*        U   9   3.464  13.496   1.418
   93    H2*    U   9           H2*        U   9   2.142  13.119   3.274
   94   2HO*    U   9          2HO*        U   9   0.389  11.485   1.776
   95    H1*    U   9           H1*        U   9   1.747  10.348   3.207
   96    H3     U   9           H3         U   9   2.866  11.818   7.422
   97    H5     U   9           H5         U   9   6.480  11.310   5.351
   98    H6     U   9           H6         U   9   5.204  11.003   3.327
   99   1H5*    U  10          1H5*        U  10  -1.364  11.274   0.969
  100   2H5*    U  10          2H5*        U  10  -2.314  11.497  -0.523
  101    H4*    U  10           H4*        U  10  -3.517  12.455   1.356
  102    H3*    U  10           H3*        U  10  -2.985  14.006  -0.916
  103    H2*    U  10           H2*        U  10  -1.245  15.258   0.115
  104   2HO*    U  10          2HO*        U  10  -2.946  16.764  -0.418
  105    H1*    U  10           H1*        U  10  -2.841  15.279   2.688
  106    H3     U  10           H3         U  10   0.355  17.418   5.035
  107    H5     U  10           H5         U  10   2.569  15.189   2.224
  108    H6     U  10           H6         U  10   0.479  14.369   1.337
  109   1H5*    C  11          1H5*        C  11  -5.392  12.624  -0.589
  110   2H5*    C  11          2H5*        C  11  -6.836  12.334  -1.593
  111    H4*    C  11           H4*        C  11  -8.102  11.844   0.188
  112    H3*    C  11           H3*        C  11  -7.594  14.466   1.049
  113    H2*    C  11           H2*        C  11  -5.723  13.871   2.363
  114   2HO*    C  11          2HO*        C  11  -7.302  14.736   3.810
  115    H1*    C  11           H1*        C  11  -7.194  11.337   3.139
  116   1H4     C  11          1H4         C  11  -1.400   9.191   4.924
  117   2H4     C  11          2H4         C  11  -0.901  10.850   5.160
  118    H5     C  11           H5         C  11  -2.305  12.765   4.526
  119    H6     C  11           H6         C  11  -4.406  13.416   3.555
  120   1H5*    C  12          1H5*        C  12 -11.116  11.527   2.358
  121   2H5*    C  12          2H5*        C  12 -12.439  12.119   1.311
  122    H4*    C  12           H4*        C  12 -13.770  11.424   2.985
  123    H3*    C  12           H3*        C  12 -13.440  14.111   3.436
  124    H2*    C  12           H2*        C  12 -11.600  13.882   4.916
  125   2HO*    C  12          2HO*        C  12 -12.421  14.022   7.100
  126    H1*    C  12           H1*        C  12 -12.950  11.565   6.328
  127   1H4     C  12          1H4         C  12  -7.100  10.842   8.730
  128   2H4     C  12          2H4         C  12  -6.357  11.263   7.205
  129    H5     C  12           H5         C  12  -7.658  11.897   5.216
  130    H6     C  12           H6         C  12  -9.895  12.232   4.360
  131   1H5*    U  13          1H5*        U  13 -17.558  10.488   2.276
  132   2H5*    U  13          2H5*        U  13 -16.474   9.445   3.224
  133    H4*    U  13           H4*        U  13 -15.607  10.604   0.598
  134    H3*    U  13           H3*        U  13 -17.766   9.080   0.366
  135    H2*    U  13           H2*        U  13 -17.015   7.531   2.088
  136   2HO*    U  13          2HO*        U  13 -16.387   6.343  -0.423
  137    H1*    U  13           H1*        U  13 -14.443   7.205   0.533
  138    H3     U  13           H3         U  13 -13.466   4.111   3.821
  139    H5     U  13           H5         U  13 -14.081   7.769   5.839
  140    H6     U  13           H6         U  13 -14.809   8.704   3.777
  141   1H5*    C  14          1H5*        C  14 -13.246  11.918  -1.348
  142   2H5*    C  14          2H5*        C  14 -13.533  11.217  -2.963
  143    H4*    C  14           H4*        C  14 -11.199  11.109  -2.714
  144    H3*    C  14           H3*        C  14 -12.249   8.431  -1.745
  145    H2*    C  14           H2*        C  14  -9.988   7.750  -1.462
  146   2HO*    C  14          2HO*        C  14  -9.330  10.065  -3.020
  147    H1*    C  14           H1*        C  14  -9.111  10.322  -0.670
  148   1H4     C  14          1H4         C  14  -9.226   6.720   4.589
  149   2H4     C  14          2H4         C  14 -10.902   7.153   4.842
  150    H5     C  14           H5         C  14 -12.189   8.465   3.219
  151    H6     C  14           H6         C  14 -12.114   9.566   1.069
  152   1H5*    A  15          1H5*        A  15  -8.864   7.601  -4.616
  153   2H5*    A  15          2H5*        A  15  -9.470   6.199  -5.528
  154    H4*    A  15           H4*        A  15  -7.180   5.973  -4.369
  155    H3*    A  15           H3*        A  15  -9.396   3.967  -3.944
  156    H2*    A  15           H2*        A  15  -7.968   2.674  -2.507
  157   2HO*    A  15          2HO*        A  15  -5.996   2.962  -3.693
  158    H1*    A  15           H1*        A  15  -7.085   4.818  -1.079
  159    H8     A  15           H8         A  15 -10.588   4.979  -2.504
  160   1H6     A  15          1H6         A  15 -12.342   2.865   3.130
  161   2H6     A  15          2H6         A  15 -12.956   3.452   1.596
  162    H2     A  15           H2         A  15  -7.856   2.954   2.824
  163   1H5*    C  16          1H5*        C  16  -6.023   1.581  -5.349
  164   2H5*    C  16          2H5*        C  16  -6.616   0.205  -6.317
  165    H4*    C  16           H4*        C  16  -5.242  -0.450  -4.328
  166    H3*    C  16           H3*        C  16  -8.143  -1.327  -4.341
  167    H2*    C  16           H2*        C  16  -7.654  -2.616  -2.377
  168   2HO*    C  16          2HO*        C  16  -5.459  -2.727  -1.627
  169    H1*    C  16           H1*        C  16  -6.156  -0.589  -1.224
  170   1H4     C  16          1H4         C  16 -12.032   0.053   1.175
  171   2H4     C  16          2H4         C  16 -12.503   1.014  -0.209
  172    H5     C  16           H5         C  16 -11.043   1.377  -2.145
  173    H6     C  16           H6         C  16  -8.874   0.889  -3.089
  174   1H5*    G  17          1H5*        G  17  -5.581  -4.700  -3.838
  175   2H5*    G  17          2H5*        G  17  -6.138  -6.101  -4.787
  176    H4*    G  17           H4*        G  17  -5.646  -6.642  -2.406
  177    H3*    G  17           H3*        G  17  -8.525  -6.919  -3.295
  178    H2*    G  17           H2*        G  17  -9.021  -7.859  -1.138
  179   2HO*    G  17          2HO*        G  17  -7.312  -8.244   0.347
  180    H1*    G  17           H1*        G  17  -7.648  -5.919   0.218
  181    H8     G  17           H8         G  17  -9.026  -4.055  -2.700
  182    H1     G  17           H1         G  17 -13.536  -5.480   1.612
  183   1H2     G  17          1H2         G  17 -12.767  -6.960   3.066
  184   2H2     G  17          2H2         G  17 -11.138  -7.593   2.975
  185   1H5*    G  18          1H5*        G  18  -7.580 -10.428  -1.393
  186   2H5*    G  18          2H5*        G  18  -8.177 -11.862  -2.266
  187    H4*    G  18           H4*        G  18  -8.906 -11.746   0.125
  188    H3*    G  18           H3*        G  18 -11.071 -11.586  -1.986
  189    H2*    G  18           H2*        G  18 -12.689 -11.689  -0.227
  190   2HO*    G  18          2HO*        G  18 -11.622 -13.305   1.052
  191    H1*    G  18           H1*        G  18 -11.238  -9.992   1.454
  192    H8     G  18           H8         G  18 -11.047  -8.543  -2.013
  193    H1     G  18           H1         G  18 -16.667  -7.429   0.848
  194   1H2     G  18          1H2         G  18 -16.848  -8.649   2.685
  195   2H2     G  18          2H2         G  18 -15.586  -9.744   3.202
  196   1H5*    G  19          1H5*        G  19 -13.805 -15.724  -2.478
  197   2H5*    G  19          2H5*        G  19 -14.089 -14.057  -3.054
  198    H4*    G  19           H4*        G  19 -14.984 -15.169  -0.377
  199    H3*    G  19           H3*        G  19 -16.544 -14.629  -2.915
  200    H2*    G  19           H2*        G  19 -18.453 -14.166  -1.526
  201   2HO*    G  19          2HO*        G  19 -17.893 -15.825   0.095
  202    H1*    G  19           H1*        G  19 -17.023 -12.539   0.141
  203    H8     G  19           H8         G  19 -16.223 -12.800  -3.667
  204    H1     G  19           H1         G  19 -19.789  -7.773  -1.960
  205   1H2     G  19          1H2         G  19 -20.241  -7.850   0.193
  206   2H2     G  19          2H2         G  19 -19.669  -9.142   1.222
  207   1H5*    U  20          1H5*        U  20 -18.128 -15.459  -5.107
  208   2H5*    U  20          2H5*        U  20 -18.472 -15.310  -3.367
  209    H4*    U  20           H4*        U  20 -20.171 -16.536  -5.536
  210    H3*    U  20           H3*        U  20 -20.696 -14.518  -3.335
  211    H2*    U  20           H2*        U  20 -22.998 -15.127  -3.433
  212   2HO*    U  20          2HO*        U  20 -23.138 -15.154  -5.769
  213    H1*    U  20           H1*        U  20 -22.448 -17.851  -3.924
  214    H3     U  20           H3         U  20 -24.112 -18.637   0.133
  215    H5     U  20           H5         U  20 -21.289 -15.622   0.905
  216    H6     U  20           H6         U  20 -20.808 -15.551  -1.490
  217   1H5*    G  21          1H5*        G  21 -22.935 -10.819  -3.675
  218   2H5*    G  21          2H5*        G  21 -21.612 -11.533  -2.713
  219    H4*    G  21           H4*        G  21 -24.589 -11.949  -2.285
  220    H3*    G  21           H3*        G  21 -22.512 -10.375  -0.756
  221    H2*    G  21           H2*        G  21 -23.599 -10.933   1.284
  222   2HO*    G  21          2HO*        G  21 -25.781 -10.670   0.326
  223    H1*    G  21           H1*        G  21 -24.064 -13.538   0.638
  224    H8     G  21           H8         G  21 -20.698 -12.174  -0.591
  225    H1     G  21           H1         G  21 -20.582 -14.626   5.309
  226   1H2     G  21          1H2         G  21 -22.632 -15.120   5.976
  227   2H2     G  21          2H2         G  21 -24.030 -14.849   4.962
  228   1H5*    A  22          1H5*        A  22 -24.473  -5.308  -0.449
  229   2H5*    A  22          2H5*        A  22 -23.301  -6.571   0.005
  230    H4*    A  22           H4*        A  22 -26.263  -6.488   0.664
  231    H3*    A  22           H3*        A  22 -23.766  -6.249   2.346
  232    H2*    A  22           H2*        A  22 -24.904  -7.321   4.167
  233   2HO*    A  22          2HO*        A  22 -27.200  -7.223   2.449
  234    H1*    A  22           H1*        A  22 -25.810  -9.354   2.642
  235    H8     A  22           H8         A  22 -22.648  -8.441   0.897
  236   1H6     A  22          1H6         A  22 -19.542 -11.509   5.256
  237   2H6     A  22          2H6         A  22 -19.438 -10.734   3.692
  238    H2     A  22           H2         A  22 -23.772 -11.059   6.620
  239   1H5*    C  23          1H5*        C  23 -24.630  -5.288   4.703
  240   2H5*    C  23          2H5*        C  23 -23.853  -4.047   5.714
  241    H4*    C  23           H4*        C  23 -23.044  -6.399   6.102
  242    H3*    C  23           H3*        C  23 -21.031  -4.373   5.105
  243    H2*    C  23           H2*        C  23 -19.336  -6.034   5.446
  244   2HO*    C  23          2HO*        C  23 -19.845  -8.000   6.474
  245    H1*    C  23           H1*        C  23 -20.826  -8.046   4.293
  246   1H4     C  23          1H4         C  23 -17.246  -5.503  -0.364
  247   2H4     C  23          2H4         C  23 -18.539  -4.388  -0.742
  248    H5     C  23           H5         C  23 -20.578  -4.199   0.611
  249    H6     C  23           H6         C  23 -21.744  -5.056   2.549
  250   1H5*    C  24          1H5*        C  24 -19.472  -6.145   8.638
  251   2H5*    C  24          2H5*        C  24 -18.438  -5.005   9.541
  252    H4*    C  24           H4*        C  24 -17.318  -7.158   8.819
  253    H3*    C  24           H3*        C  24 -16.185  -4.559   7.754
  254    H2*    C  24           H2*        C  24 -14.360  -5.857   6.893
  255   2HO*    C  24          2HO*        C  24 -14.228  -8.103   7.397
  256    H1*    C  24           H1*        C  24 -16.023  -7.862   5.947
  257   1H4     C  24          1H4         C  24 -15.000  -3.888   1.046
  258   2H4     C  24          2H4         C  24 -16.359  -2.907   1.549
  259    H5     C  24           H5         C  24 -17.594  -3.311   3.631
  260    H6     C  24           H6         C  24 -17.749  -4.724   5.581
  261   1H5*    G  25          1H5*        G  25 -13.082  -6.623   9.524
  262   2H5*    G  25          2H5*        G  25 -11.895  -5.575  10.339
  263    H4*    G  25           H4*        G  25 -10.922  -7.060   8.568
  264    H3*    G  25           H3*        G  25 -10.737  -4.069   8.149
  265    H2*    G  25           H2*        G  25  -9.405  -4.497   6.203
  266   2HO*    G  25          2HO*        G  25  -8.783  -6.649   5.700
  267    H1*    G  25           H1*        G  25 -11.070  -6.442   5.248
  268    H8     G  25           H8         G  25 -13.526  -4.125   6.783
  269    H1     G  25           H1         G  25 -10.886  -1.604   1.524
  270   1H2     G  25          1H2         G  25  -9.107  -2.773   0.933
  271   2H2     G  25          2H2         G  25  -8.578  -4.184   1.824
  272   1H5*    U  26          1H5*        U  26  -7.018  -5.175   7.326
  273   2H5*    U  26          2H5*        U  26  -5.794  -4.095   8.043
  274    H4*    U  26           H4*        U  26  -5.783  -4.307   5.499
  275    H3*    U  26           H3*        U  26  -6.096  -1.592   6.793
  276    H2*    U  26           H2*        U  26  -6.040  -0.603   4.634
  277   2HO*    U  26          2HO*        U  26  -5.357  -1.786   2.817
  278    H1*    U  26           H1*        U  26  -7.478  -2.680   3.399
  279    H3     U  26           H3         U  26  -9.614   1.458   3.270
  280    H5     U  26           H5         U  26 -11.143  -0.637   6.579
  281    H6     U  26           H6         U  26  -9.365  -2.260   6.288
  282   1H5*    G  27          1H5*        G  27  -2.843  -2.044   3.970
  283   2H5*    G  27          2H5*        G  27  -1.397  -1.069   4.335
  284    H4*    G  27           H4*        G  27  -2.620  -0.990   1.954
  285    H3*    G  27           H3*        G  27  -0.681   0.613   3.053
  286    H2*    G  27           H2*        G  27  -2.219   2.088   4.131
  287   2HO*    G  27          2HO*        G  27  -0.983   3.484   2.914
  288    H1*    G  27           H1*        G  27  -3.895   2.066   1.606
  289    H8     G  27           H8         G  27  -4.769   1.289   5.279
  290    H1     G  27           H1         G  27  -7.483   6.579   2.929
  291   1H2     G  27          1H2         G  27  -6.706   7.006   0.906
  292   2H2     G  27          2H2         G  27  -5.518   5.981   0.132
  293   1H5*    G  28          1H5*        G  28  -0.867   4.107  -0.903
  294   2H5*    G  28          2H5*        G  28   0.164   2.854  -1.637
  295    H4*    G  28           H4*        G  28   1.034   5.244  -1.745
  296    H3*    G  28           H3*        G  28   2.655   2.993  -0.590
  297    H2*    G  28           H2*        G  28   4.388   4.439   0.119
  298   2HO*    G  28          2HO*        G  28   3.057   6.446  -1.429
  299    H1*    G  28           H1*        G  28   2.834   6.418   1.077
  300    H8     G  28           H8         G  28   0.686   3.772   2.214
  301    H1     G  28           H1         G  28   6.293   3.468   5.209
  302   1H2     G  28          1H2         G  28   7.781   4.703   4.167
  303   2H2     G  28          2H2         G  28   7.399   5.612   2.726
  304   1H5*    U  29          1H5*        U  29   5.493   5.185  -2.593
  305   2H5*    U  29          2H5*        U  29   6.589   4.157  -3.554
  306    H4*    U  29           H4*        U  29   7.628   5.653  -1.722
  307    H3*    U  29           H3*        U  29   8.170   2.677  -1.867
  308    H2*    U  29           H2*        U  29   9.722   2.931  -0.033
  309   2HO*    U  29          2HO*        U  29  10.062   5.023   0.864
  310    H1*    U  29           H1*        U  29   7.896   4.183   1.516
  311    H3     U  29           H3         U  29   8.307  -0.473   1.985
  312    H5     U  29           H5         U  29   4.527   0.493   0.417
  313    H6     U  29           H6         U  29   5.339   2.724   0.007
  314   1H5*    C  30          1H5*        C  30  12.580   3.751  -2.527
  315   2H5*    C  30          2H5*        C  30  13.019   2.407  -3.619
  316    H4*    C  30           H4*        C  30  14.169   2.631  -1.268
  317    H3*    C  30           H3*        C  30  13.003  -0.002  -2.218
  318    H2*    C  30           H2*        C  30  14.054  -0.976  -0.302
  319   2HO*    C  30          2HO*        C  30  15.269   1.579   0.138
  320    H1*    C  30           H1*        C  30  13.372   1.185   1.335
  321   1H4     C  30          1H4         C  30   9.126  -3.395   2.560
  322   2H4     C  30          2H4         C  30   8.142  -2.878   1.206
  323    H5     C  30           H5         C  30   8.860  -1.128  -0.377
  324    H6     C  30           H6         C  30  10.653   0.421  -0.907
  325   1H5*    C  31          1H5*        C  31  17.411  -0.415  -1.286
  326   2H5*    C  31          2H5*        C  31  17.975  -1.914  -2.071
  327    H4*    C  31           H4*        C  31  18.268  -1.743   0.471
  328    H3*    C  31           H3*        C  31  16.666  -4.067  -0.628
  329    H2*    C  31           H2*        C  31  16.795  -4.972   1.602
  330   2HO*    C  31          2HO*        C  31  18.054  -3.861   3.191
  331    H1*    C  31           H1*        C  31  16.240  -2.501   2.763
  332   1H4     C  31          1H4         C  31  10.646  -5.546   2.431
  333   2H4     C  31          2H4         C  31  10.453  -5.058   0.762
  334    H5     C  31           H5         C  31  12.204  -3.865  -0.493
  335    H6     C  31           H6         C  31  14.434  -2.938  -0.348
  336   1H5*    U  32          1H5*        U  32  19.595  -5.620   1.804
  337   2H5*    U  32          2H5*        U  32  20.395  -7.012   1.039
  338    H4*    U  32           H4*        U  32  19.689  -7.585   3.290
  339    H3*    U  32           H3*        U  32  17.957  -8.892   1.188
  340    H2*    U  32           H2*        U  32  16.944 -10.125   2.965
  341   2HO*    U  32          2HO*        U  32  17.801  -9.960   5.101
  342    H1*    U  32           H1*        U  32  16.799  -7.945   4.643
  343    H3     U  32           H3         U  32  12.565  -9.034   3.339
  344    H5     U  32           H5         U  32  14.098  -6.660   0.226
  345    H6     U  32           H6         U  32  16.284  -6.789   1.295
  346   1H5*    C  33          1H5*        C  33  19.317 -11.870   3.893
  347   2H5*    C  33          2H5*        C  33  19.748 -13.355   3.008
  348    H4*    C  33           H4*        C  33  18.165 -13.809   4.844
  349    H3*    C  33           H3*        C  33  16.986 -14.125   2.072
  350    H2*    C  33           H2*        C  33  15.043 -15.030   3.123
  351   2HO*    C  33          2HO*        C  33  16.524 -14.877   5.566
  352    H1*    C  33           H1*        C  33  14.977 -13.109   5.093
  353   1H4     C  33          1H4         C  33  11.181 -10.965   0.427
  354   2H4     C  33          2H4         C  33  12.557 -10.256  -0.389
  355    H5     C  33           H5         C  33  14.875 -10.572   0.377
  356    H6     C  33           H6         C  33  16.256 -11.630   2.050
  357   1H5*    C  34          1H5*        C  34  16.032 -17.608   4.364
  358   2H5*    C  34          2H5*        C  34  16.236 -19.030   3.316
  359    H4*    C  34           H4*        C  34  14.001 -18.873   4.445
  360    H3*    C  34           H3*        C  34  14.067 -18.799   1.420
  361    H2*    C  34           H2*        C  34  11.683 -18.872   1.426
  362   2HO*    C  34          2HO*        C  34  11.981 -19.490   4.209
  363    H1*    C  34           H1*        C  34  11.425 -17.126   3.585
  364   1H4     C  34          1H4         C  34  10.660 -13.618  -1.697
  365   2H4     C  34          2H4         C  34  12.384 -13.316  -1.749
  366    H5     C  34           H5         C  34  13.979 -14.406  -0.224
  367    H6     C  34           H6         C  34  14.187 -15.962   1.614
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1  -3.004  -7.882   3.261
    2   2H5*    G   1          2H5*        G   1  -1.886  -8.190   1.933
    3    H4*    G   1           H4*        G   1  -2.949 -10.288   3.838
    4    H3*    G   1           H3*        G   1  -0.262  -8.897   3.728
    5    H2*    G   1           H2*        G   1   0.718 -10.907   4.567
    6   2HO*    G   1          2HO*        G   1  -1.975 -11.824   4.872
    7    H1*    G   1           H1*        G   1  -0.683 -12.535   2.879
    8    H8     G   1           H8         G   1   0.091  -9.430   0.912
    9    H1     G   1           H1         G   1   5.173 -13.256   1.562
   10   1H2     G   1          1H2         G   1   4.763 -14.823   3.065
   11   2H2     G   1          2H2         G   1   3.229 -14.936   3.901
   12   1H5*    G   2          1H5*        G   2  -0.390 -10.808   7.540
   13   2H5*    G   2          2H5*        G   2   0.464  -9.806   8.743
   14    H4*    G   2           H4*        G   2   1.334 -12.183   8.413
   15    H3*    G   2           H3*        G   2   3.219  -9.851   7.979
   16    H2*    G   2           H2*        G   2   4.979 -11.443   7.728
   17   2HO*    G   2          2HO*        G   2   4.728 -13.580   8.336
   18    H1*    G   2           H1*        G   2   3.413 -13.231   6.261
   19    H8     G   2           H8         G   2   2.530 -10.050   4.648
   20    H1     G   2           H1         G   2   8.584 -11.648   3.349
   21   1H2     G   2          1H2         G   2   9.268 -13.245   4.717
   22   2H2     G   2          2H2         G   2   8.229 -13.929   5.947
   23   1H5*    A   3          1H5*        A   3   5.295 -12.244  11.121
   24   2H5*    A   3          2H5*        A   3   5.627 -11.025  12.383
   25    H4*    A   3           H4*        A   3   7.658 -12.247  11.976
   26    H3*    A   3           H3*        A   3   7.740  -9.548  10.606
   27    H2*    A   3           H2*        A   3  10.055 -10.006  10.092
   28   2HO*    A   3          2HO*        A   3  11.007 -11.945  10.875
   29    H1*    A   3           H1*        A   3   9.490 -12.511   9.152
   30    H8     A   3           H8         A   3   6.471 -10.428   8.305
   31   1H6     A   3          1H6         A   3   9.666  -8.298   3.458
   32   2H6     A   3          2H6         A   3   8.094  -8.375   4.221
   33    H2     A   3           H2         A   3  12.467 -10.579   6.122
   34   1H5*    G   4          1H5*        G   4  11.185  -9.540  12.926
   35   2H5*    G   4          2H5*        G   4  11.415  -7.981  13.760
   36    H4*    G   4           H4*        G   4  13.406  -8.609  12.468
   37    H3*    G   4           H3*        G   4  11.884  -6.274  11.282
   38    H2*    G   4           H2*        G   4  13.724  -6.012   9.753
   39   2HO*    G   4          2HO*        G   4  15.439  -6.562  11.218
   40    H1*    G   4           H1*        G   4  13.789  -8.684   9.155
   41    H8     G   4           H8         G   4  10.171  -7.951   9.757
   42    H1     G   4           H1         G   4  12.250  -5.694   4.152
   43   1H2     G   4          1H2         G   4  14.456  -5.774   4.069
   44   2H2     G   4          2H2         G   4  15.415  -6.395   5.392
   45   1H5*    G   5          1H5*        G   5  15.919  -4.210  11.931
   46   2H5*    G   5          2H5*        G   5  15.347  -2.688  12.665
   47    H4*    G   5           H4*        G   5  16.853  -2.382  10.678
   48    H3*    G   5           H3*        G   5  14.013  -1.356  10.420
   49    H2*    G   5           H2*        G   5  14.668  -0.366   8.330
   50   2HO*    G   5          2HO*        G   5  16.857  -0.441   7.675
   51    H1*    G   5           H1*        G   5  15.962  -2.632   7.475
   52    H8     G   5           H8         G   5  13.060  -4.000   9.383
   53    H1     G   5           H1         G   5  11.278  -1.452   3.794
   54   1H2     G   5          1H2         G   5  12.941  -0.288   2.914
   55   2H2     G   5          2H2         G   5  14.489  -0.128   3.713
   56   1H5*    A   6          1H5*        A   6  16.789   2.247   9.677
   57   2H5*    A   6          2H5*        A   6  15.779   3.648  10.122
   58    H4*    A   6           H4*        A   6  16.763   3.475   7.704
   59    H3*    A   6           H3*        A   6  13.841   4.091   8.223
   60    H2*    A   6           H2*        A   6  13.609   4.451   5.872
   61   2HO*    A   6          2HO*        A   6  16.456   4.174   5.762
   62    H1*    A   6           H1*        A   6  15.122   2.252   5.192
   63    H8     A   6           H8         A   6  13.045   1.117   8.097
   64   1H6     A   6          1H6         A   6   8.314   0.523   4.165
   65   2H6     A   6          2H6         A   6   8.901   0.164   5.770
   66    H2     A   6           H2         A   6  11.616   2.762   2.087
   67   1H5*    C   7          1H5*        C   7  15.246   7.021   5.458
   68   2H5*    C   7          2H5*        C   7  14.360   8.547   5.713
   69    H4*    C   7           H4*        C   7  14.153   7.467   3.407
   70    H3*    C   7           H3*        C   7  11.641   7.989   5.004
   71    H2*    C   7           H2*        C   7  10.397   7.399   3.024
   72   2HO*    C   7          2HO*        C   7  11.626   6.858   1.099
   73    H1*    C   7           H1*        C   7  11.947   5.173   2.561
   74   1H4     C   7          1H4         C   7   7.030   3.346   6.229
   75   2H4     C   7          2H4         C   7   8.046   3.517   7.642
   76    H5     C   7           H5         C   7  10.310   4.464   7.549
   77    H6     C   7           H6         C   7  11.974   5.417   6.083
   78   1H5*    A   8          1H5*        A   8  10.842   9.636   1.285
   79   2H5*    A   8          2H5*        A   8  10.117  11.253   1.484
   80    H4*    A   8           H4*        A   8   8.756   9.720   0.064
   81    H3*    A   8           H3*        A   8   7.541  10.633   2.681
   82    H2*    A   8           H2*        A   8   5.503   9.522   2.049
   83   2HO*    A   8          2HO*        A   8   6.849   9.106  -0.449
   84    H1*    A   8           H1*        A   8   6.751   7.248   1.276
   85    H8     A   8           H8         A   8   8.978   8.099   4.025
   86   1H6     A   8          1H6         A   8   4.544   6.438   8.044
   87   2H6     A   8          2H6         A   8   6.243   6.815   7.869
   88    H2     A   8           H2         A   8   2.698   6.855   4.011
   89   1H5*    U   9          1H5*        U   9   4.750  10.860   0.281
   90   2H5*    U   9          2H5*        U   9   4.129  12.472  -0.145
   91    H4*    U   9           H4*        U   9   2.245  11.033   0.183
   92    H3*    U   9           H3*        U   9   2.708  12.948   2.449
   93    H2*    U   9           H2*        U   9   1.020  11.968   3.702
   94   2HO*    U   9          2HO*        U   9  -0.005  10.817   1.323
   95    H1*    U   9           H1*        U   9   1.300   9.309   2.852
   96    H3     U   9           H3         U   9   2.126   9.309   7.346
   97    H5     U   9           H5         U   9   5.692  10.622   5.558
   98    H6     U   9           H6         U   9   4.502  10.766   3.446
   99   1H5*    U  10          1H5*        U  10  -0.178  16.720   1.878
  100   2H5*    U  10          2H5*        U  10   0.740  15.338   2.517
  101    H4*    U  10           H4*        U  10  -1.331  14.460   0.701
  102    H3*    U  10           H3*        U  10  -2.247  16.564   2.570
  103    H2*    U  10           H2*        U  10  -2.692  14.979   4.258
  104   2HO*    U  10          2HO*        U  10  -4.641  13.836   3.973
  105    H1*    U  10           H1*        U  10  -2.729  12.859   2.088
  106    H3     U  10           H3         U  10  -3.483   9.667   5.230
  107    H5     U  10           H5         U  10  -0.265  11.879   6.785
  108    H6     U  10           H6         U  10  -0.504  13.429   4.915
  109   1H5*    C  11          1H5*        C  11  -7.096  17.262   1.788
  110   2H5*    C  11          2H5*        C  11  -5.977  16.039   2.443
  111    H4*    C  11           H4*        C  11  -8.389  15.695   0.700
  112    H3*    C  11           H3*        C  11  -7.788  14.908   3.365
  113    H2*    C  11           H2*        C  11  -6.425  13.086   2.735
  114   2HO*    C  11          2HO*        C  11  -7.715  11.172   2.517
  115    H1*    C  11           H1*        C  11  -8.167  12.678   0.289
  116   1H4     C  11          1H4         C  11  -3.465   8.746  -1.452
  117   2H4     C  11          2H4         C  11  -2.270   9.690  -0.595
  118    H5     C  11           H5         C  11  -2.826  11.724   0.674
  119    H6     C  11           H6         C  11  -4.637  13.185   1.326
  120   1H5*    C  12          1H5*        C  12 -11.666  13.377   1.598
  121   2H5*    C  12          2H5*        C  12 -13.042  14.525   1.619
  122    H4*    C  12           H4*        C  12 -13.729  12.180   1.947
  123    H3*    C  12           H3*        C  12 -14.880  14.174   3.353
  124    H2*    C  12           H2*        C  12 -13.204  14.152   5.095
  125   2HO*    C  12          2HO*        C  12 -14.232  12.998   6.908
  126    H1*    C  12           H1*        C  12 -13.502  11.142   5.270
  127   1H4     C  12          1H4         C  12  -8.511  12.287   9.140
  128   2H4     C  12          2H4         C  12  -7.496  12.415   7.722
  129    H5     C  12           H5         C  12  -8.399  12.403   5.435
  130    H6     C  12           H6         C  12 -10.414  12.274   4.123
  131   1H5*    U  13          1H5*        U  13 -17.660   8.988   2.112
  132   2H5*    U  13          2H5*        U  13 -16.471   9.315   3.388
  133    H4*    U  13           H4*        U  13 -16.263  10.781   0.811
  134    H3*    U  13           H3*        U  13 -16.308   8.121   0.404
  135    H2*    U  13           H2*        U  13 -14.862   7.646   2.290
  136   2HO*    U  13          2HO*        U  13 -13.234   7.733  -0.025
  137    H1*    U  13           H1*        U  13 -12.967   9.794   1.250
  138    H3     U  13           H3         U  13 -10.215   9.267   4.893
  139    H5     U  13           H5         U  13 -14.129   8.799   6.415
  140    H6     U  13           H6         U  13 -14.940   8.999   4.226
  141   1H5*    C  14          1H5*        C  14 -12.207  10.085  -1.091
  142   2H5*    C  14          2H5*        C  14 -12.008   9.577  -2.786
  143    H4*    C  14           H4*        C  14  -9.816   9.533  -1.994
  144    H3*    C  14           H3*        C  14 -10.885   6.762  -1.400
  145    H2*    C  14           H2*        C  14  -8.676   6.198  -0.675
  146   2HO*    C  14          2HO*        C  14  -7.779   8.724  -1.652
  147    H1*    C  14           H1*        C  14  -8.233   8.744   0.478
  148   1H4     C  14          1H4         C  14  -9.440   4.837   5.390
  149   2H4     C  14          2H4         C  14 -11.155   5.023   5.116
  150    H5     C  14           H5         C  14 -12.083   6.245   3.207
  151    H6     C  14           H6         C  14 -11.504   7.504   1.240
  152   1H5*    A  15          1H5*        A  15  -7.327   6.313  -3.426
  153   2H5*    A  15          2H5*        A  15  -7.481   5.167  -4.782
  154    H4*    A  15           H4*        A  15  -5.541   4.594  -3.457
  155    H3*    A  15           H3*        A  15  -7.866   2.703  -3.063
  156    H2*    A  15           H2*        A  15  -6.480   1.348  -1.642
  157   2HO*    A  15          2HO*        A  15  -4.246   1.798  -1.468
  158    H1*    A  15           H1*        A  15  -5.422   3.506  -0.289
  159    H8     A  15           H8         A  15  -8.997   4.281  -1.087
  160   1H6     A  15          1H6         A  15 -10.418   1.016   4.043
  161   2H6     A  15          2H6         A  15 -11.062   2.088   2.817
  162    H2     A  15           H2         A  15  -6.052   0.458   3.049
  163   1H5*    C  16          1H5*        C  16  -4.679   0.241  -4.411
  164   2H5*    C  16          2H5*        C  16  -5.240  -0.990  -5.576
  165    H4*    C  16           H4*        C  16  -4.031  -1.913  -3.589
  166    H3*    C  16           H3*        C  16  -6.937  -2.680  -3.943
  167    H2*    C  16           H2*        C  16  -6.659  -4.209  -2.124
  168   2HO*    C  16          2HO*        C  16  -4.593  -4.620  -1.266
  169    H1*    C  16           H1*        C  16  -5.200  -2.399  -0.606
  170   1H4     C  16          1H4         C  16 -11.317  -2.001   1.243
  171   2H4     C  16          2H4         C  16 -11.497  -0.579   0.235
  172    H5     C  16           H5         C  16  -9.742   0.194  -1.309
  173    H6     C  16           H6         C  16  -7.524  -0.269  -2.146
  174   1H5*    G  17          1H5*        G  17  -4.565  -6.203  -3.746
  175   2H5*    G  17          2H5*        G  17  -5.061  -7.394  -4.975
  176    H4*    G  17           H4*        G  17  -4.873  -8.459  -2.795
  177    H3*    G  17           H3*        G  17  -7.736  -8.097  -3.705
  178    H2*    G  17           H2*        G  17  -8.418  -9.377  -1.789
  179   2HO*    G  17          2HO*        G  17  -6.774 -10.278  -0.414
  180    H1*    G  17           H1*        G  17  -6.769  -8.001  -0.076
  181    H8     G  17           H8         G  17  -7.982  -5.560  -2.698
  182    H1     G  17           H1         G  17 -12.297  -6.723   1.882
  183   1H2     G  17          1H2         G  17 -11.646  -8.433   3.128
  184   2H2     G  17          2H2         G  17 -10.143  -9.277   2.836
  185   1H5*    G  18          1H5*        G  18  -7.511 -12.076  -2.787
  186   2H5*    G  18          2H5*        G  18  -8.280 -13.103  -4.025
  187    H4*    G  18           H4*        G  18  -9.170 -13.499  -1.743
  188    H3*    G  18           H3*        G  18 -11.111 -12.262  -3.710
  189    H2*    G  18           H2*        G  18 -12.819 -12.524  -2.063
  190   2HO*    G  18          2HO*        G  18 -10.893 -14.178  -0.729
  191    H1*    G  18           H1*        G  18 -11.111 -11.836   0.067
  192    H8     G  18           H8         G  18 -10.605  -9.429  -2.808
  193    H1     G  18           H1         G  18 -15.758  -8.095   0.754
  194   1H2     G  18          1H2         G  18 -16.167  -9.758   2.152
  195   2H2     G  18          2H2         G  18 -15.178 -11.199   2.203
  196   1H5*    G  19          1H5*        G  19 -14.393 -15.195  -5.936
  197   2H5*    G  19          2H5*        G  19 -14.163 -13.429  -5.807
  198    H4*    G  19           H4*        G  19 -15.830 -15.162  -3.958
  199    H3*    G  19           H3*        G  19 -16.615 -13.142  -6.073
  200    H2*    G  19           H2*        G  19 -18.566 -12.656  -4.768
  201   2HO*    G  19          2HO*        G  19 -18.909 -13.894  -2.806
  202    H1*    G  19           H1*        G  19 -17.161 -12.529  -2.409
  203    H8     G  19           H8         G  19 -15.681 -11.288  -5.794
  204    H1     G  19           H1         G  19 -18.091  -6.731  -2.006
  205   1H2     G  19          1H2         G  19 -18.989  -7.629  -0.210
  206   2H2     G  19          2H2         G  19 -18.999  -9.355   0.067
  207   1H5*    U  20          1H5*        U  20 -18.536 -12.639  -8.551
  208   2H5*    U  20          2H5*        U  20 -18.783 -13.240  -6.893
  209    H4*    U  20           H4*        U  20 -20.685 -13.450  -9.241
  210    H3*    U  20           H3*        U  20 -20.865 -12.104  -6.536
  211    H2*    U  20           H2*        U  20 -23.220 -12.444  -6.573
  212   2HO*    U  20          2HO*        U  20 -23.497 -11.773  -8.805
  213    H1*    U  20           H1*        U  20 -23.047 -14.951  -7.859
  214    H3     U  20           H3         U  20 -24.402 -16.826  -4.044
  215    H5     U  20           H5         U  20 -21.359 -14.236  -2.739
  216    H6     U  20           H6         U  20 -21.060 -13.527  -5.043
  217   1H5*    G  21          1H5*        G  21 -22.116  -8.303  -5.506
  218   2H5*    G  21          2H5*        G  21 -21.156  -9.675  -4.883
  219    H4*    G  21           H4*        G  21 -24.128  -9.233  -4.467
  220    H3*    G  21           H3*        G  21 -21.769  -8.937  -2.596
  221    H2*    G  21           H2*        G  21 -23.199  -9.614  -0.803
  222   2HO*    G  21          2HO*        G  21 -25.122  -8.534  -1.468
  223    H1*    G  21           H1*        G  21 -24.257 -11.706  -2.156
  224    H8     G  21           H8         G  21 -20.579 -11.000  -3.030
  225    H1     G  21           H1         G  21 -21.430 -15.002   1.881
  226   1H2     G  21          1H2         G  21 -23.572 -15.111   2.420
  227   2H2     G  21          2H2         G  21 -24.795 -14.192   1.573
  228   1H5*    A  22          1H5*        A  22 -24.710  -5.996  -0.916
  229   2H5*    A  22          2H5*        A  22 -23.912  -5.002   0.333
  230    H4*    A  22           H4*        A  22 -25.666  -6.731   1.104
  231    H3*    A  22           H3*        A  22 -22.879  -6.750   2.276
  232    H2*    A  22           H2*        A  22 -23.674  -8.407   3.841
  233   2HO*    A  22          2HO*        A  22 -25.840  -7.480   4.061
  234    H1*    A  22           H1*        A  22 -24.879  -9.870   1.845
  235    H8     A  22           H8         A  22 -21.888  -8.486   0.139
  236   1H6     A  22          1H6         A  22 -18.395 -12.707   2.935
  237   2H6     A  22          2H6         A  22 -18.459 -11.494   1.677
  238    H2     A  22           H2         A  22 -22.390 -12.734   4.897
  239   1H5*    C  23          1H5*        C  23 -23.614  -6.578   5.063
  240   2H5*    C  23          2H5*        C  23 -22.721  -5.708   6.333
  241    H4*    C  23           H4*        C  23 -22.027  -8.113   5.905
  242    H3*    C  23           H3*        C  23 -19.963  -5.928   5.568
  243    H2*    C  23           H2*        C  23 -18.329  -7.667   5.330
  244   2HO*    C  23          2HO*        C  23 -20.463  -9.456   6.016
  245    H1*    C  23           H1*        C  23 -19.944  -9.177   3.653
  246   1H4     C  23          1H4         C  23 -16.195  -5.591  -0.081
  247   2H4     C  23          2H4         C  23 -17.421  -4.342  -0.111
  248    H5     C  23           H5         C  23 -19.462  -4.445   1.264
  249    H6     C  23           H6         C  23 -20.686  -5.767   2.883
  250   1H5*    C  24          1H5*        C  24 -18.405  -8.626   8.366
  251   2H5*    C  24          2H5*        C  24 -17.517  -7.797   9.672
  252    H4*    C  24           H4*        C  24 -16.156  -9.525   8.525
  253    H3*    C  24           H3*        C  24 -15.236  -6.675   8.074
  254    H2*    C  24           H2*        C  24 -13.287  -7.607   7.041
  255   2HO*    C  24          2HO*        C  24 -12.941  -9.890   7.122
  256    H1*    C  24           H1*        C  24 -14.753  -9.597   5.722
  257   1H4     C  24          1H4         C  24 -13.850  -4.995   1.399
  258   2H4     C  24          2H4         C  24 -15.115  -4.024   2.120
  259    H5     C  24           H5         C  24 -16.286  -4.675   4.182
  260    H6     C  24           H6         C  24 -16.448  -6.363   5.900
  261   1H5*    G  25          1H5*        G  25 -12.030  -8.891   9.605
  262   2H5*    G  25          2H5*        G  25 -11.195  -8.006  10.906
  263    H4*    G  25           H4*        G  25  -9.598  -8.886   9.271
  264    H3*    G  25           H3*        G  25  -9.925  -5.877   9.152
  265    H2*    G  25           H2*        G  25  -8.110  -5.842   7.593
  266   2HO*    G  25          2HO*        G  25  -6.970  -7.804   7.141
  267    H1*    G  25           H1*        G  25  -9.048  -8.016   6.172
  268    H8     G  25           H8         G  25 -12.096  -6.043   7.116
  269    H1     G  25           H1         G  25  -8.779  -3.334   2.347
  270   1H2     G  25          1H2         G  25  -6.797  -4.305   2.162
  271   2H2     G  25          2H2         G  25  -6.297  -5.619   3.202
  272   1H5*    U  26          1H5*        U  26  -5.854  -6.415   9.433
  273   2H5*    U  26          2H5*        U  26  -5.082  -5.132  10.403
  274    H4*    U  26           H4*        U  26  -4.350  -5.346   7.957
  275    H3*    U  26           H3*        U  26  -5.437  -2.712   8.977
  276    H2*    U  26           H2*        U  26  -4.873  -1.755   6.862
  277   2HO*    U  26          2HO*        U  26  -3.547  -2.867   5.396
  278    H1*    U  26           H1*        U  26  -5.631  -4.039   5.412
  279    H3     U  26           H3         U  26  -8.300  -0.450   4.287
  280    H5     U  26           H5         U  26 -10.136  -2.272   7.614
  281    H6     U  26           H6         U  26  -8.146  -3.627   7.887
  282   1H5*    G  27          1H5*        G  27  -1.580  -2.441   7.192
  283   2H5*    G  27          2H5*        G  27  -0.532  -1.156   7.845
  284    H4*    G  27           H4*        G  27  -1.202  -1.296   5.266
  285    H3*    G  27           H3*        G  27  -0.028   0.727   6.768
  286    H2*    G  27           H2*        G  27  -2.055   1.812   7.304
  287   2HO*    G  27          2HO*        G  27  -0.793   3.342   6.124
  288    H1*    G  27           H1*        G  27  -3.041   1.293   4.498
  289    H8     G  27           H8         G  27  -4.515   0.448   7.939
  290    H1     G  27           H1         G  27  -7.793   4.767   4.548
  291   1H2     G  27          1H2         G  27  -6.678   5.288   2.705
  292   2H2     G  27          2H2         G  27  -5.139   4.555   2.316
  293   1H5*    G  28          1H5*        G  28  -1.568   2.063   1.699
  294   2H5*    G  28          2H5*        G  28  -1.443   0.615   0.671
  295    H4*    G  28           H4*        G  28  -0.679   2.332  -0.706
  296    H3*    G  28           H3*        G  28   1.642   0.957   0.620
  297    H2*    G  28           H2*        G  28   3.201   2.502  -0.281
  298   2HO*    G  28          2HO*        G  28   2.530   4.058  -1.832
  299    H1*    G  28           H1*        G  28   1.811   4.728   0.267
  300    H8     G  28           H8         G  28   0.737   2.699   3.165
  301    H1     G  28           H1         G  28   6.870   4.414   3.648
  302   1H2     G  28          1H2         G  28   7.613   5.181   1.717
  303   2H2     G  28          2H2         G  28   6.592   5.275   0.297
  304   1H5*    U  29          1H5*        U  29   2.808   1.135  -3.498
  305   2H5*    U  29          2H5*        U  29   3.518  -0.417  -4.022
  306    H4*    U  29           H4*        U  29   5.012   1.526  -4.423
  307    H3*    U  29           H3*        U  29   5.953  -0.487  -2.367
  308    H2*    U  29           H2*        U  29   8.002   0.713  -2.252
  309   2HO*    U  29          2HO*        U  29   8.515   2.307  -3.782
  310    H1*    U  29           H1*        U  29   6.790   3.214  -2.443
  311    H3     U  29           H3         U  29   8.826   2.546   1.712
  312    H5     U  29           H5         U  29   4.908   1.027   2.047
  313    H6     U  29           H6         U  29   4.671   1.298  -0.338
  314   1H5*    C  30          1H5*        C  30   9.180   0.019  -5.004
  315   2H5*    C  30          2H5*        C  30  10.120  -1.490  -5.154
  316    H4*    C  30           H4*        C  30  11.318   0.580  -4.192
  317    H3*    C  30           H3*        C  30  11.280  -2.056  -2.710
  318    H2*    C  30           H2*        C  30  12.699  -1.100  -1.051
  319   2HO*    C  30          2HO*        C  30  13.698   0.920  -1.396
  320    H1*    C  30           H1*        C  30  11.406   1.361  -1.035
  321   1H4     C  30          1H4         C  30   9.091  -2.148   3.823
  322   2H4     C  30          2H4         C  30   7.685  -2.489   2.843
  323    H5     C  30           H5         C  30   7.513  -1.845   0.486
  324    H6     C  30           H6         C  30   8.661  -0.770  -1.343
  325   1H5*    C  31          1H5*        C  31  15.254  -1.122  -2.365
  326   2H5*    C  31          2H5*        C  31  16.193  -2.436  -3.124
  327    H4*    C  31           H4*        C  31  17.120  -2.087  -0.951
  328    H3*    C  31           H3*        C  31  15.266  -4.481  -0.933
  329    H2*    C  31           H2*        C  31  15.956  -4.898   1.325
  330   2HO*    C  31          2HO*        C  31  18.215  -4.241   0.930
  331    H1*    C  31           H1*        C  31  15.712  -2.266   2.074
  332   1H4     C  31          1H4         C  31  10.026  -4.882   3.288
  333   2H4     C  31          2H4         C  31   9.511  -4.563   1.647
  334    H5     C  31           H5         C  31  11.020  -3.667  -0.071
  335    H6     C  31           H6         C  31  13.278  -2.919  -0.496
  336   1H5*    U  32          1H5*        U  32  18.206  -6.455   1.075
  337   2H5*    U  32          2H5*        U  32  18.833  -7.611  -0.127
  338    H4*    U  32           H4*        U  32  18.475  -8.920   1.777
  339    H3*    U  32           H3*        U  32  15.981  -9.128   0.080
  340    H2*    U  32           H2*        U  32  15.181 -10.744   1.618
  341   2HO*    U  32          2HO*        U  32  16.513 -11.520   3.287
  342    H1*    U  32           H1*        U  32  15.838  -9.323   3.804
  343    H3     U  32           H3         U  32  11.372  -9.170   3.346
  344    H5     U  32           H5         U  32  12.760  -6.090   0.875
  345    H6     U  32           H6         U  32  15.047  -6.919   1.233
  346   1H5*    C  33          1H5*        C  33  17.265 -13.098   1.249
  347   2H5*    C  33          2H5*        C  33  16.665 -14.296   0.075
  348    H4*    C  33           H4*        C  33  15.895 -14.570   2.501
  349    H3*    C  33           H3*        C  33  13.792 -14.261   0.339
  350    H2*    C  33           H2*        C  33  12.184 -14.800   2.021
  351   2HO*    C  33          2HO*        C  33  12.863 -15.442   4.108
  352    H1*    C  33           H1*        C  33  13.340 -13.161   3.913
  353   1H4     C  33          1H4         C  33   8.763  -9.730   1.069
  354   2H4     C  33          2H4         C  33   9.900  -9.207  -0.156
  355    H5     C  33           H5         C  33  12.202 -10.078  -0.303
  356    H6     C  33           H6         C  33  13.785 -11.609   0.695
  357   1H5*    C  34          1H5*        C  34  12.968 -17.733   2.803
  358   2H5*    C  34          2H5*        C  34  12.249 -18.994   1.775
  359    H4*    C  34           H4*        C  34  10.916 -18.342   3.834
  360    H3*    C  34           H3*        C  34   9.635 -18.038   1.106
  361    H2*    C  34           H2*        C  34   7.587 -17.503   2.217
  362   2HO*    C  34          2HO*        C  34   7.455 -17.720   4.520
  363    H1*    C  34           H1*        C  34   8.822 -15.913   4.149
  364   1H4     C  34          1H4         C  34   6.680 -11.993  -0.431
  365   2H4     C  34          2H4         C  34   8.223 -12.114  -1.250
  366    H5     C  34           H5         C  34  10.002 -13.655  -0.530
  367    H6     C  34           H6         C  34  10.601 -15.332   1.100
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1  -1.652 -12.215   1.460
    2   2H5*    G   1          2H5*        G   1  -0.250 -12.390   0.404
    3    H4*    G   1           H4*        G   1  -1.207 -14.461   2.391
    4    H3*    G   1           H3*        G   1   1.082 -12.486   2.533
    5    H2*    G   1           H2*        G   1   2.299 -14.099   3.805
    6   2HO*    G   1          2HO*        G   1   1.315 -15.962   4.584
    7    H1*    G   1           H1*        G   1   1.649 -16.188   2.172
    8    H8     G   1           H8         G   1   2.077 -13.215  -0.082
    9    H1     G   1           H1         G   1   7.660 -15.593   1.935
   10   1H2     G   1          1H2         G   1   7.329 -17.043   3.570
   11   2H2     G   1          2H2         G   1   5.728 -17.438   4.156
   12   1H5*    G   2          1H5*        G   2   0.588 -13.821   6.651
   13   2H5*    G   2          2H5*        G   2   0.994 -12.445   7.714
   14    H4*    G   2           H4*        G   2   2.373 -14.578   8.008
   15    H3*    G   2           H3*        G   2   3.782 -11.973   7.372
   16    H2*    G   2           H2*        G   2   5.852 -13.122   7.712
   17   2HO*    G   2          2HO*        G   2   5.852 -15.260   8.554
   18    H1*    G   2           H1*        G   2   5.008 -15.419   6.384
   19    H8     G   2           H8         G   2   3.719 -12.771   4.163
   20    H1     G   2           H1         G   2  10.099 -13.071   3.922
   21   1H2     G   2          1H2         G   2  10.878 -14.275   5.606
   22   2H2     G   2          2H2         G   2   9.822 -15.018   6.786
   23   1H5*    A   3          1H5*        A   3   5.693 -13.240  11.216
   24   2H5*    A   3          2H5*        A   3   5.750 -11.728  12.165
   25    H4*    A   3           H4*        A   3   7.955 -12.825  12.061
   26    H3*    A   3           H3*        A   3   7.770 -10.241  10.494
   27    H2*    A   3           H2*        A   3  10.158 -10.401  10.174
   28   2HO*    A   3          2HO*        A   3  11.292 -12.156  11.165
   29    H1*    A   3           H1*        A   3  10.027 -13.032   9.430
   30    H8     A   3           H8         A   3   6.853 -11.534   8.108
   31   1H6     A   3          1H6         A   3  10.189  -9.249   3.421
   32   2H6     A   3          2H6         A   3   8.573  -9.535   4.029
   33    H2     A   3           H2         A   3  13.002 -10.810   6.552
   34   1H5*    G   4          1H5*        G   4  10.991  -9.617  13.119
   35   2H5*    G   4          2H5*        G   4  10.958  -7.977  13.813
   36    H4*    G   4           H4*        G   4  13.125  -8.493  12.752
   37    H3*    G   4           H3*        G   4  11.483  -6.397  11.310
   38    H2*    G   4           H2*        G   4  13.380  -6.043   9.876
   39   2HO*    G   4          2HO*        G   4  15.047  -6.305  11.459
   40    H1*    G   4           H1*        G   4  13.771  -8.717   9.462
   41    H8     G   4           H8         G   4  10.068  -8.440   9.780
   42    H1     G   4           H1         G   4  12.211  -6.115   4.230
   43   1H2     G   4          1H2         G   4  14.406  -5.881   4.294
   44   2H2     G   4          2H2         G   4  15.347  -6.314   5.704
   45   1H5*    G   5          1H5*        G   5  15.255  -4.125  11.942
   46   2H5*    G   5          2H5*        G   5  14.672  -2.524  12.469
   47    H4*    G   5           H4*        G   5  16.220  -2.496  10.478
   48    H3*    G   5           H3*        G   5  13.409  -1.431  10.095
   49    H2*    G   5           H2*        G   5  14.069  -0.724   7.897
   50   2HO*    G   5          2HO*        G   5  16.276  -1.000   7.249
   51    H1*    G   5           H1*        G   5  15.318  -3.100   7.317
   52    H8     G   5           H8         G   5  12.408  -4.202   9.366
   53    H1     G   5           H1         G   5  10.627  -2.246   3.543
   54   1H2     G   5          1H2         G   5  12.296  -1.195   2.537
   55   2H2     G   5          2H2         G   5  13.848  -0.967   3.310
   56   1H5*    A   6          1H5*        A   6  16.349   1.668   8.816
   57   2H5*    A   6          2H5*        A   6  15.613   3.266   9.121
   58    H4*    A   6           H4*        A   6  16.417   2.701   6.717
   59    H3*    A   6           H3*        A   6  13.614   3.725   7.242
   60    H2*    A   6           H2*        A   6  13.319   3.836   4.872
   61   2HO*    A   6          2HO*        A   6  15.107   3.439   3.479
   62    H1*    A   6           H1*        A   6  14.547   1.410   4.413
   63    H8     A   6           H8         A   6  12.438   1.000   7.512
   64   1H6     A   6          1H6         A   6   7.592   0.229   3.758
   65   2H6     A   6          2H6         A   6   8.169   0.102   5.402
   66    H2     A   6           H2         A   6  11.058   1.669   1.297
   67   1H5*    C   7          1H5*        C   7  15.261   5.975   4.092
   68   2H5*    C   7          2H5*        C   7  14.680   7.659   4.144
   69    H4*    C   7           H4*        C   7  14.181   6.375   2.010
   70    H3*    C   7           H3*        C   7  11.861   7.475   3.600
   71    H2*    C   7           H2*        C   7  10.435   6.845   1.773
   72   2HO*    C   7          2HO*        C   7  11.846   7.438   0.042
   73    H1*    C   7           H1*        C   7  11.690   4.389   1.443
   74   1H4     C   7          1H4         C   7   6.632   3.414   5.231
   75   2H4     C   7          2H4         C   7   7.644   3.673   6.636
   76    H5     C   7           H5         C   7   9.985   4.412   6.478
   77    H6     C   7           H6         C   7  11.744   5.034   4.940
   78   1H5*    A   8          1H5*        A   8   9.815  11.165   0.305
   79   2H5*    A   8          2H5*        A   8   9.056  10.337   1.691
   80    H4*    A   8           H4*        A   8   8.943   9.653  -1.241
   81    H3*    A   8           H3*        A   8   6.918  10.149   0.934
   82    H2*    A   8           H2*        A   8   5.419   8.520   0.030
   83   2HO*    A   8          2HO*        A   8   5.973   7.449  -1.948
   84    H1*    A   8           H1*        A   8   7.226   6.591  -0.236
   85    H8     A   8           H8         A   8   9.030   7.930   2.562
   86   1H6     A   8          1H6         A   8   4.396   6.467   6.389
   87   2H6     A   8          2H6         A   8   6.077   6.936   6.282
   88    H2     A   8           H2         A   8   2.872   6.254   2.186
   89   1H5*    U   9          1H5*        U   9   4.672   9.713  -1.735
   90   2H5*    U   9          2H5*        U   9   3.723  11.069  -2.401
   91    H4*    U   9           H4*        U   9   2.313   9.116  -2.042
   92    H3*    U   9           H3*        U   9   1.778  11.612  -0.590
   93    H2*    U   9           H2*        U   9   0.726  10.674   1.246
   94   2HO*    U   9          2HO*        U   9  -0.302   8.698  -0.503
   95    H1*    U   9           H1*        U   9   1.414   7.974   1.056
   96    H3     U   9           H3         U   9   1.883   9.769   5.336
   97    H5     U   9           H5         U   9   5.555  10.267   3.349
   98    H6     U   9           H6         U   9   4.447   9.620   1.294
   99   1H5*    U  10          1H5*        U  10  -2.706  10.178   0.117
  100   2H5*    U  10          2H5*        U  10  -3.240  11.186  -1.252
  101    H4*    U  10           H4*        U  10  -4.319  11.594   1.070
  102    H3*    U  10           H3*        U  10  -3.999  13.403  -0.994
  103    H2*    U  10           H2*        U  10  -1.817  14.101  -0.206
  104   2HO*    U  10          2HO*        U  10  -3.115  15.988  -0.432
  105    H1*    U  10           H1*        U  10  -3.047  14.248   2.556
  106    H3     U  10           H3         U  10   0.705  15.388   4.746
  107    H5     U  10           H5         U  10   2.183  13.208   1.461
  108    H6     U  10           H6         U  10  -0.094  12.927   0.706
  109   1H5*    C  11          1H5*        C  11  -7.500  15.790   2.610
  110   2H5*    C  11          2H5*        C  11  -6.075  14.719   2.630
  111    H4*    C  11           H4*        C  11  -8.865  13.753   3.278
  112    H3*    C  11           H3*        C  11  -7.470  15.509   4.985
  113    H2*    C  11           H2*        C  11  -5.710  13.979   5.425
  114   2HO*    C  11          2HO*        C  11  -6.198  12.817   7.361
  115    H1*    C  11           H1*        C  11  -7.759  11.756   5.356
  116   1H4     C  11          1H4         C  11  -2.610   8.033   5.745
  117   2H4     C  11          2H4         C  11  -1.717   9.054   4.641
  118    H5     C  11           H5         C  11  -2.644  11.119   3.700
  119    H6     C  11           H6         C  11  -4.581  12.563   3.635
  120   1H5*    C  12          1H5*        C  12 -11.299  12.859   4.889
  121   2H5*    C  12          2H5*        C  12 -12.425  14.052   4.181
  122    H4*    C  12           H4*        C  12 -13.857  12.436   5.065
  123    H3*    C  12           H3*        C  12 -14.143  14.846   6.264
  124    H2*    C  12           H2*        C  12 -12.550  14.434   8.009
  125   2HO*    C  12          2HO*        C  12 -13.780  13.885   9.922
  126    H1*    C  12           H1*        C  12 -13.739  11.696   8.511
  127   1H4     C  12          1H4         C  12  -8.358  11.239  11.902
  128   2H4     C  12          2H4         C  12  -7.397  11.706  10.518
  129    H5     C  12           H5         C  12  -8.388  12.359   8.364
  130    H6     C  12           H6         C  12 -10.470  12.679   7.181
  131   1H5*    U  13          1H5*        U  13 -17.164  10.027   5.654
  132   2H5*    U  13          2H5*        U  13 -15.785  10.931   6.325
  133    H4*    U  13           H4*        U  13 -15.670  11.566   3.667
  134    H3*    U  13           H3*        U  13 -17.335   9.551   3.275
  135    H2*    U  13           H2*        U  13 -16.250   8.168   4.979
  136   2HO*    U  13          2HO*        U  13 -15.267   7.282   2.458
  137    H1*    U  13           H1*        U  13 -13.652   8.569   3.493
  138    H3     U  13           H3         U  13 -11.954   5.692   6.675
  139    H5     U  13           H5         U  13 -13.486   8.984   8.829
  140    H6     U  13           H6         U  13 -14.423   9.796   6.794
  141   1H5*    C  14          1H5*        C  14 -13.558  11.207   2.412
  142   2H5*    C  14          2H5*        C  14 -13.656  12.847   1.724
  143    H4*    C  14           H4*        C  14 -11.914  12.373   0.141
  144    H3*    C  14           H3*        C  14 -12.172   9.496   1.029
  145    H2*    C  14           H2*        C  14  -9.835   9.163   0.717
  146   2HO*    C  14          2HO*        C  14  -8.564  10.818  -0.291
  147    H1*    C  14           H1*        C  14  -9.063  11.573   1.778
  148   1H4     C  14          1H4         C  14  -8.810   7.206   6.463
  149   2H4     C  14          2H4         C  14 -10.327   7.829   7.055
  150    H5     C  14           H5         C  14 -11.634   9.505   5.851
  151    H6     C  14           H6         C  14 -11.736  10.857   3.855
  152   1H5*    A  15          1H5*        A  15  -9.353   9.149  -2.111
  153   2H5*    A  15          2H5*        A  15  -9.929   7.794  -3.109
  154    H4*    A  15           H4*        A  15  -7.557   7.670  -2.021
  155    H3*    A  15           H3*        A  15  -9.588   5.444  -1.963
  156    H2*    A  15           H2*        A  15  -8.122   4.063  -0.660
  157   2HO*    A  15          2HO*        A  15  -5.962   4.775  -0.253
  158    H1*    A  15           H1*        A  15  -7.394   6.023   1.081
  159    H8     A  15           H8         A  15 -10.897   6.153  -0.387
  160   1H6     A  15          1H6         A  15 -12.620   3.189   4.831
  161   2H6     A  15          2H6         A  15 -13.223   3.941   3.369
  162    H2     A  15           H2         A  15  -8.138   3.605   4.729
  163   1H5*    C  16          1H5*        C  16  -6.128   3.494  -3.187
  164   2H5*    C  16          2H5*        C  16  -6.442   2.307  -4.484
  165    H4*    C  16           H4*        C  16  -5.405   1.367  -2.386
  166    H3*    C  16           H3*        C  16  -8.118   0.340  -3.253
  167    H2*    C  16           H2*        C  16  -7.990  -1.269  -1.490
  168   2HO*    C  16          2HO*        C  16  -6.054  -1.553  -0.321
  169    H1*    C  16           H1*        C  16  -6.953   0.532   0.344
  170   1H4     C  16          1H4         C  16 -13.257   0.269   1.309
  171   2H4     C  16          2H4         C  16 -13.456   1.688   0.303
  172    H5     C  16           H5         C  16 -11.602   2.695  -0.960
  173    H6     C  16           H6         C  16  -9.247   2.507  -1.476
  174   1H5*    G  17          1H5*        G  17  -5.126  -2.800  -2.777
  175   2H5*    G  17          2H5*        G  17  -5.290  -4.049  -4.038
  176    H4*    G  17           H4*        G  17  -5.056  -5.006  -1.765
  177    H3*    G  17           H3*        G  17  -7.731  -5.432  -3.116
  178    H2*    G  17           H2*        G  17  -8.370  -6.828  -1.265
  179   2HO*    G  17          2HO*        G  17  -6.828  -7.312   0.370
  180    H1*    G  17           H1*        G  17  -7.455  -5.064   0.620
  181    H8     G  17           H8         G  17  -8.739  -2.960  -2.228
  182    H1     G  17           H1         G  17 -13.421  -5.317   1.429
  183   1H2     G  17          1H2         G  17 -12.624  -6.856   2.805
  184   2H2     G  17          2H2         G  17 -10.931  -7.294   2.828
  185   1H5*    G  18          1H5*        G  18  -6.586  -9.149  -1.826
  186   2H5*    G  18          2H5*        G  18  -6.866 -10.413  -3.051
  187    H4*    G  18           H4*        G  18  -7.937 -10.897  -0.853
  188    H3*    G  18           H3*        G  18  -9.798 -10.434  -3.193
  189    H2*    G  18           H2*        G  18 -11.617 -11.059  -1.776
  190   2HO*    G  18          2HO*        G  18 -10.539 -12.849  -0.744
  191    H1*    G  18           H1*        G  18 -10.584  -9.708   0.451
  192    H8     G  18           H8         G  18 -10.215  -7.598  -2.688
  193    H1     G  18           H1         G  18 -16.043  -7.281  -0.053
  194   1H2     G  18          1H2         G  18 -16.250  -8.805   1.537
  195   2H2     G  18          2H2         G  18 -14.952  -9.905   1.945
  196   1H5*    G  19          1H5*        G  19 -11.797 -14.825  -4.982
  197   2H5*    G  19          2H5*        G  19 -12.153 -13.116  -5.356
  198    H4*    G  19           H4*        G  19 -13.441 -14.849  -3.230
  199    H3*    G  19           H3*        G  19 -14.502 -13.511  -5.729
  200    H2*    G  19           H2*        G  19 -16.641 -13.349  -4.662
  201   2HO*    G  19          2HO*        G  19 -17.096 -14.455  -2.790
  202    H1*    G  19           H1*        G  19 -15.585 -12.496  -2.266
  203    H8     G  19           H8         G  19 -14.149 -11.416  -5.724
  204    H1     G  19           H1         G  19 -18.022  -7.186  -2.892
  205   1H2     G  19          1H2         G  19 -18.827  -8.025  -1.021
  206   2H2     G  19          2H2         G  19 -18.408  -9.626  -0.458
  207   1H5*    U  20          1H5*        U  20 -16.079 -13.945  -8.424
  208   2H5*    U  20          2H5*        U  20 -16.324 -14.273  -6.693
  209    H4*    U  20           H4*        U  20 -17.885 -15.397  -9.031
  210    H3*    U  20           H3*        U  20 -18.655 -13.716  -6.633
  211    H2*    U  20           H2*        U  20 -20.834 -14.653  -6.760
  212   2HO*    U  20          2HO*        U  20 -21.439 -15.892  -8.634
  213    H1*    U  20           H1*        U  20 -19.896 -17.201  -7.565
  214    H3     U  20           H3         U  20 -21.044 -18.871  -3.597
  215    H5     U  20           H5         U  20 -19.292 -15.203  -2.535
  216    H6     U  20           H6         U  20 -18.873 -14.792  -4.908
  217   1H5*    G  21          1H5*        G  21 -20.068  -9.722  -6.067
  218   2H5*    G  21          2H5*        G  21 -19.376 -11.195  -5.337
  219    H4*    G  21           H4*        G  21 -22.341 -10.870  -5.793
  220    H3*    G  21           H3*        G  21 -20.723  -9.940  -3.424
  221    H2*    G  21           H2*        G  21 -22.454 -10.680  -1.956
  222   2HO*    G  21          2HO*        G  21 -23.946 -11.171  -4.345
  223    H1*    G  21           H1*        G  21 -22.794 -13.073  -3.146
  224    H8     G  21           H8         G  21 -19.149 -11.949  -3.392
  225    H1     G  21           H1         G  21 -20.593 -15.004   2.033
  226   1H2     G  21          1H2         G  21 -22.775 -15.329   2.171
  227   2H2     G  21          2H2         G  21 -23.879 -14.790   0.928
  228   1H5*    A  22          1H5*        A  22 -24.513  -8.108  -2.986
  229   2H5*    A  22          2H5*        A  22 -24.506  -6.609  -2.017
  230    H4*    A  22           H4*        A  22 -25.799  -8.468  -0.971
  231    H3*    A  22           H3*        A  22 -23.318  -7.566   0.505
  232    H2*    A  22           H2*        A  22 -24.010  -8.992   2.318
  233   2HO*    A  22          2HO*        A  22 -26.359  -9.409   0.725
  234    H1*    A  22           H1*        A  22 -24.483 -11.099   0.645
  235    H8     A  22           H8         A  22 -21.601  -9.284  -0.925
  236   1H6     A  22          1H6         A  22 -17.907 -12.047   3.179
  237   2H6     A  22          2H6         A  22 -17.966 -11.094   1.715
  238    H2     A  22           H2         A  22 -22.144 -12.737   4.417
  239   1H5*    C  23          1H5*        C  23 -24.605  -7.047   3.088
  240   2H5*    C  23          2H5*        C  23 -24.149  -5.774   4.245
  241    H4*    C  23           H4*        C  23 -22.937  -7.996   4.469
  242    H3*    C  23           H3*        C  23 -21.313  -5.495   3.969
  243    H2*    C  23           H2*        C  23 -19.349  -6.822   4.339
  244   2HO*    C  23          2HO*        C  23 -21.161  -8.927   5.046
  245    H1*    C  23           H1*        C  23 -20.270  -8.922   2.797
  246   1H4     C  23          1H4         C  23 -16.804  -5.220  -1.093
  247   2H4     C  23          2H4         C  23 -18.230  -4.279  -1.469
  248    H5     C  23           H5         C  23 -20.384  -4.607  -0.339
  249    H6     C  23           H6         C  23 -21.558  -5.906   1.330
  250   1H5*    C  24          1H5*        C  24 -19.902  -7.385   7.525
  251   2H5*    C  24          2H5*        C  24 -19.247  -6.206   8.693
  252    H4*    C  24           H4*        C  24 -17.630  -8.000   8.018
  253    H3*    C  24           H3*        C  24 -16.899  -5.162   7.248
  254    H2*    C  24           H2*        C  24 -14.756  -6.029   6.598
  255   2HO*    C  24          2HO*        C  24 -15.658  -8.512   7.707
  256    H1*    C  24           H1*        C  24 -15.861  -8.237   5.333
  257   1H4     C  24          1H4         C  24 -15.051  -3.866   0.751
  258   2H4     C  24          2H4         C  24 -16.528  -3.060   1.223
  259    H5     C  24           H5         C  24 -17.847  -3.736   3.175
  260    H6     C  24           H6         C  24 -17.984  -5.295   5.011
  261   1H5*    G  25          1H5*        G  25 -13.822  -6.929   9.569
  262   2H5*    G  25          2H5*        G  25 -12.896  -5.756  10.538
  263    H4*    G  25           H4*        G  25 -11.551  -7.200   8.941
  264    H3*    G  25           H3*        G  25 -11.442  -4.189   8.651
  265    H2*    G  25           H2*        G  25  -9.746  -4.497   6.982
  266   2HO*    G  25          2HO*        G  25  -8.962  -6.615   6.544
  267    H1*    G  25           H1*        G  25 -11.124  -6.463   5.680
  268    H8     G  25           H8         G  25 -13.928  -4.307   6.779
  269    H1     G  25           H1         G  25 -10.420  -1.467   2.235
  270   1H2     G  25          1H2         G  25  -8.508  -2.560   1.967
  271   2H2     G  25          2H2         G  25  -8.103  -3.981   2.900
  272   1H5*    U  26          1H5*        U  26  -7.629  -5.051   8.413
  273   2H5*    U  26          2H5*        U  26  -6.601  -3.993   9.417
  274    H4*    U  26           H4*        U  26  -6.118  -4.001   6.914
  275    H3*    U  26           H3*        U  26  -6.788  -1.414   8.331
  276    H2*    U  26           H2*        U  26  -6.416  -0.231   6.297
  277   2HO*    U  26          2HO*        U  26  -5.417  -1.239   4.524
  278    H1*    U  26           H1*        U  26  -7.597  -2.167   4.675
  279    H3     U  26           H3         U  26  -9.911   1.890   4.861
  280    H5     U  26           H5         U  26 -11.735  -0.746   7.594
  281    H6     U  26           H6         U  26  -9.855  -2.242   7.306
  282   1H5*    G  27          1H5*        G  27  -3.081  -1.552   6.071
  283   2H5*    G  27          2H5*        G  27  -1.799  -0.451   6.637
  284    H4*    G  27           H4*        G  27  -2.942  -0.451   4.130
  285    H3*    G  27           H3*        G  27  -0.859   0.963   5.215
  286    H2*    G  27           H2*        G  27  -2.247   2.533   6.339
  287   2HO*    G  27          2HO*        G  27  -2.158   4.473   5.158
  288    H1*    G  27           H1*        G  27  -3.940   2.763   3.836
  289    H8     G  27           H8         G  27  -4.571   2.063   7.580
  290    H1     G  27           H1         G  27  -7.547   7.191   5.205
  291   1H2     G  27          1H2         G  27  -6.959   7.518   3.100
  292   2H2     G  27          2H2         G  27  -5.839   6.454   2.278
  293   1H5*    G  28          1H5*        G  28  -1.871   2.309   0.448
  294   2H5*    G  28          2H5*        G  28  -2.152   0.806  -0.463
  295    H4*    G  28           H4*        G  28  -0.931   1.988  -1.995
  296    H3*    G  28           H3*        G  28   1.050   0.503  -0.284
  297    H2*    G  28           H2*        G  28   2.882   1.568  -1.345
  298   2HO*    G  28          2HO*        G  28   0.936   2.607  -3.162
  299    H1*    G  28           H1*        G  28   1.880   4.055  -1.273
  300    H8     G  28           H8         G  28   0.458   2.485   1.844
  301    H1     G  28           H1         G  28   6.630   4.043   2.431
  302   1H2     G  28          1H2         G  28   7.488   4.554   0.463
  303   2H2     G  28          2H2         G  28   6.540   4.514  -1.007
  304   1H5*    U  29          1H5*        U  29   2.348  -0.129  -4.285
  305   2H5*    U  29          2H5*        U  29   2.942  -1.794  -4.532
  306    H4*    U  29           H4*        U  29   4.612  -0.049  -5.125
  307    H3*    U  29           H3*        U  29   5.306  -1.795  -2.751
  308    H2*    U  29           H2*        U  29   7.437  -0.756  -2.739
  309   2HO*    U  29          2HO*        U  29   8.098   0.572  -4.487
  310    H1*    U  29           H1*        U  29   6.436   1.763  -3.427
  311    H3     U  29           H3         U  29   8.374   1.840   0.817
  312    H5     U  29           H5         U  29   4.434   0.440   1.360
  313    H6     U  29           H6         U  29   4.224   0.296  -1.033
  314   1H5*    C  30          1H5*        C  30   8.602  -1.850  -5.484
  315   2H5*    C  30          2H5*        C  30   9.542  -3.354  -5.296
  316    H4*    C  30           H4*        C  30  10.657  -1.042  -4.756
  317    H3*    C  30           H3*        C  30  10.832  -3.457  -2.952
  318    H2*    C  30           H2*        C  30  12.225  -2.215  -1.467
  319   2HO*    C  30          2HO*        C  30  12.291  -0.209  -3.509
  320    H1*    C  30           H1*        C  30  10.776   0.138  -1.689
  321   1H4     C  30          1H4         C  30   8.758  -2.999   3.557
  322   2H4     C  30          2H4         C  30   7.326  -3.445   2.662
  323    H5     C  30           H5         C  30   7.058  -3.011   0.271
  324    H6     C  30           H6         C  30   8.116  -2.080  -1.683
  325   1H5*    C  31          1H5*        C  31  14.693  -2.199  -3.034
  326   2H5*    C  31          2H5*        C  31  15.796  -3.522  -3.493
  327    H4*    C  31           H4*        C  31  16.554  -2.520  -1.415
  328    H3*    C  31           H3*        C  31  15.272  -5.236  -1.038
  329    H2*    C  31           H2*        C  31  15.872  -5.136   1.278
  330   2HO*    C  31          2HO*        C  31  17.204  -3.460   2.052
  331    H1*    C  31           H1*        C  31  15.062  -2.530   1.583
  332   1H4     C  31          1H4         C  31   9.998  -6.114   3.094
  333   2H4     C  31          2H4         C  31   9.458  -6.052   1.432
  334    H5     C  31           H5         C  31  10.791  -5.044  -0.364
  335    H6     C  31           H6         C  31  12.871  -3.926  -0.864
  336   1H5*    U  32          1H5*        U  32  18.273  -5.926   1.375
  337   2H5*    U  32          2H5*        U  32  19.329  -7.132   0.596
  338    H4*    U  32           H4*        U  32  19.009  -7.946   2.772
  339    H3*    U  32           H3*        U  32  16.990  -9.291   0.971
  340    H2*    U  32           H2*        U  32  16.337 -10.623   2.832
  341   2HO*    U  32          2HO*        U  32  17.489 -10.474   4.809
  342    H1*    U  32           H1*        U  32  16.220  -8.553   4.558
  343    H3     U  32           H3         U  32  11.971  -9.698   3.589
  344    H5     U  32           H5         U  32  13.111  -7.172   0.437
  345    H6     U  32           H6         U  32  15.400  -7.246   1.297
  346   1H5*    C  33          1H5*        C  33  18.992 -12.278   3.329
  347   2H5*    C  33          2H5*        C  33  19.113 -13.807   2.421
  348    H4*    C  33           H4*        C  33  17.950 -14.011   4.636
  349    H3*    C  33           H3*        C  33  16.275 -14.590   2.179
  350    H2*    C  33           H2*        C  33  14.577 -15.355   3.674
  351   2HO*    C  33          2HO*        C  33  15.007 -15.496   5.925
  352    H1*    C  33           H1*        C  33  14.893 -13.239   5.411
  353   1H4     C  33          1H4         C  33  10.199 -11.587   1.414
  354   2H4     C  33          2H4         C  33  11.368 -10.988   0.256
  355    H5     C  33           H5         C  33  13.800 -11.234   0.564
  356    H6     C  33           H6         C  33  15.509 -12.111   2.030
  357   1H5*    C  34          1H5*        C  34  15.885 -17.816   5.012
  358   2H5*    C  34          2H5*        C  34  15.761 -19.343   4.109
  359    H4*    C  34           H4*        C  34  13.889 -18.908   5.742
  360    H3*    C  34           H3*        C  34  13.183 -19.188   2.811
  361    H2*    C  34           H2*        C  34  10.880 -19.144   3.448
  362   2HO*    C  34          2HO*        C  34  10.300 -19.246   5.667
  363    H1*    C  34           H1*        C  34  11.242 -17.130   5.346
  364   1H4     C  34          1H4         C  34   9.184 -14.263   0.019
  365   2H4     C  34          2H4         C  34  10.835 -14.109  -0.545
  366    H5     C  34           H5         C  34  12.750 -15.115   0.632
  367    H6     C  34           H6         C  34  13.401 -16.432   2.550
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1  -3.280  -9.019  -2.805
    2   2H5*    G   1          2H5*        G   1  -1.803  -9.321  -3.719
    3    H4*    G   1           H4*        G   1  -3.274 -11.377  -2.051
    4    H3*    G   1           H3*        G   1  -0.747  -9.813  -1.474
    5    H2*    G   1           H2*        G   1   0.034 -11.696  -0.235
    6   2HO*    G   1          2HO*        G   1  -1.357 -13.472   0.164
    7    H1*    G   1           H1*        G   1  -0.782 -13.527  -2.106
    8    H8     G   1           H8         G   1   0.510 -10.561  -4.010
    9    H1     G   1           H1         G   1   5.211 -14.191  -1.622
   10   1H2     G   1          1H2         G   1   4.389 -15.652  -0.165
   11   2H2     G   1          2H2         G   1   2.681 -15.738   0.203
   12   1H5*    G   2          1H5*        G   2  -1.902 -11.608   2.232
   13   2H5*    G   2          2H5*        G   2  -1.440 -10.522   3.569
   14    H4*    G   2           H4*        G   2  -0.440 -12.903   3.536
   15    H3*    G   2           H3*        G   2   1.371 -10.480   3.720
   16    H2*    G   2           H2*        G   2   3.187 -11.996   4.063
   17   2HO*    G   2          2HO*        G   2   2.803 -14.198   4.469
   18    H1*    G   2           H1*        G   2   2.249 -13.831   2.168
   19    H8     G   2           H8         G   2   1.811 -10.786   0.231
   20    H1     G   2           H1         G   2   8.029 -11.818   1.327
   21   1H2     G   2          1H2         G   2   8.287 -13.325   2.924
   22   2H2     G   2          2H2         G   2   6.925 -14.082   3.720
   23   1H5*    A   3          1H5*        A   3   2.531 -12.965   7.008
   24   2H5*    A   3          2H5*        A   3   2.354 -11.956   8.467
   25    H4*    A   3           H4*        A   3   4.478 -13.093   8.575
   26    H3*    A   3           H3*        A   3   4.833 -10.196   7.772
   27    H2*    A   3           H2*        A   3   7.208 -10.543   8.012
   28   2HO*    A   3          2HO*        A   3   7.963 -12.587   8.774
   29    H1*    A   3           H1*        A   3   7.141 -12.917   6.625
   30    H8     A   3           H8         A   3   4.596 -10.754   4.930
   31   1H6     A   3          1H6         A   3   9.274  -7.969   1.993
   32   2H6     A   3          2H6         A   3   7.538  -8.165   2.072
   33    H2     A   3           H2         A   3  10.981 -10.527   5.265
   34   1H5*    G   4          1H5*        G   4   7.395 -10.861  10.868
   35   2H5*    G   4          2H5*        G   4   7.291  -9.600  12.120
   36    H4*    G   4           H4*        G   4   9.611  -9.962  11.472
   37    H3*    G   4           H3*        G   4   8.495  -7.361  10.403
   38    H2*    G   4           H2*        G   4  10.723  -6.830   9.693
   39   2HO*    G   4          2HO*        G   4  12.458  -8.226  10.262
   40    H1*    G   4           H1*        G   4  11.161  -9.353   8.659
   41    H8     G   4           H8         G   4   7.563  -8.497   7.963
   42    H1     G   4           H1         G   4  11.644  -5.589   3.976
   43   1H2     G   4          1H2         G   4  13.719  -5.807   4.710
   44   2H2     G   4          2H2         G   4  14.099  -6.680   6.178
   45   1H5*    G   5          1H5*        G   5  11.829  -6.250  12.830
   46   2H5*    G   5          2H5*        G   5  11.518  -4.725  13.701
   47    H4*    G   5           H4*        G   5  13.588  -4.661  12.326
   48    H3*    G   5           H3*        G   5  11.344  -2.829  11.435
   49    H2*    G   5           H2*        G   5  12.841  -1.915   9.815
   50   2HO*    G   5          2HO*        G   5  15.073  -2.574   9.842
   51    H1*    G   5           H1*        G   5  13.910  -4.379   9.116
   52    H8     G   5           H8         G   5  10.208  -4.903   9.533
   53    H1     G   5           H1         G   5  11.702  -1.947   4.056
   54   1H2     G   5          1H2         G   5  13.818  -1.294   4.101
   55   2H2     G   5          2H2         G   5  14.859  -1.594   5.473
   56   1H5*    A   6          1H5*        A   6  14.684  -0.302  11.606
   57   2H5*    A   6          2H5*        A   6  14.192   1.304  12.209
   58    H4*    A   6           H4*        A   6  15.241   1.220   9.878
   59    H3*    A   6           H3*        A   6  12.486   2.412  10.266
   60    H2*    A   6           H2*        A   6  12.478   3.019   7.974
   61   2HO*    A   6          2HO*        A   6  14.392   2.945   6.732
   62    H1*    A   6           H1*        A   6  13.790   0.700   7.109
   63    H8     A   6           H8         A   6  10.949   0.053   9.616
   64   1H6     A   6          1H6         A   6   7.231  -0.232   4.635
   65   2H6     A   6          2H6         A   6   7.327  -0.489   6.369
   66    H2     A   6           H2         A   6  11.261   1.171   3.331
   67   1H5*    C   7          1H5*        C   7  14.784   5.350   8.037
   68   2H5*    C   7          2H5*        C   7  14.070   6.958   8.336
   69    H4*    C   7           H4*        C   7  13.976   6.067   5.935
   70    H3*    C   7           H3*        C   7  11.449   6.912   7.356
   71    H2*    C   7           H2*        C   7  10.214   6.493   5.352
   72   2HO*    C   7          2HO*        C   7  11.357   6.011   3.399
   73    H1*    C   7           H1*        C   7  11.602   4.158   4.734
   74   1H4     C   7          1H4         C   7   6.399   2.085   7.718
   75   2H4     C   7          2H4         C   7   6.992   2.647   9.267
   76    H5     C   7           H5         C   7   9.107   3.896   9.511
   77    H6     C   7           H6         C   7  10.990   4.814   8.292
   78   1H5*    A   8          1H5*        A   8  11.288   8.929   3.704
   79   2H5*    A   8          2H5*        A   8  10.795  10.631   3.913
   80    H4*    A   8           H4*        A   8   9.391   9.291   2.296
   81    H3*    A   8           H3*        A   8   8.124  10.610   4.697
   82    H2*    A   8           H2*        A   8   5.974   9.762   4.071
   83   2HO*    A   8          2HO*        A   8   5.838   8.516   2.070
   84    H1*    A   8           H1*        A   8   6.802   7.272   3.551
   85    H8     A   8           H8         A   8   9.136   7.758   6.253
   86   1H6     A   8          1H6         A   8   4.479   7.548  10.313
   87   2H6     A   8          2H6         A   8   6.216   7.484  10.120
   88    H2     A   8           H2         A   8   2.762   8.112   6.224
   89   1H5*    U   9          1H5*        U   9   5.280  10.831   2.145
   90   2H5*    U   9          2H5*        U   9   4.938  12.498   1.636
   91    H4*    U   9           H4*        U   9   2.889  11.216   2.208
   92    H3*    U   9           H3*        U   9   3.624  13.682   3.700
   93    H2*    U   9           H2*        U   9   2.099  13.334   5.379
   94   2HO*    U   9          2HO*        U   9   0.190  12.168   5.137
   95    H1*    U   9           H1*        U   9   1.896  10.532   5.343
   96    H3     U   9           H3         U   9   3.109  12.051   9.541
   97    H5     U   9           H5         U   9   6.654  11.444   7.373
   98    H6     U   9           H6         U   9   5.307  11.177   5.382
   99   1H5*    U  10          1H5*        U  10   0.256  16.821   1.408
  100   2H5*    U  10          2H5*        U  10   0.977  15.801   2.672
  101    H4*    U  10           H4*        U  10  -0.758  14.288   0.892
  102    H3*    U  10           H3*        U  10  -1.902  16.862   1.708
  103    H2*    U  10           H2*        U  10  -2.449  16.031   3.866
  104   2HO*    U  10          2HO*        U  10  -4.460  14.900   3.865
  105    H1*    U  10           H1*        U  10  -2.523  13.289   2.586
  106    H3     U  10           H3         U  10  -3.988  11.704   6.639
  107    H5     U  10           H5         U  10  -0.318  13.593   7.482
  108    H6     U  10           H6         U  10  -0.286  14.406   5.176
  109   1H5*    C  11          1H5*        C  11  -6.606  15.294   0.922
  110   2H5*    C  11          2H5*        C  11  -5.179  14.256   1.172
  111    H4*    C  11           H4*        C  11  -7.085  13.900  -1.143
  112    H3*    C  11           H3*        C  11  -7.984  13.397   1.391
  113    H2*    C  11           H2*        C  11  -6.170  11.985   2.010
  114   2HO*    C  11          2HO*        C  11  -7.707   9.976   0.788
  115    H1*    C  11           H1*        C  11  -6.338  10.598  -0.670
  116   1H4     C  11          1H4         C  11  -0.772   8.169   1.268
  117   2H4     C  11          2H4         C  11  -0.311   9.669   2.038
  118    H5     C  11           H5         C  11  -1.762  11.655   2.072
  119    H6     C  11           H6         C  11  -3.901  12.532   1.365
  120   1H5*    C  12          1H5*        C  12 -10.471  10.421   0.412
  121   2H5*    C  12          2H5*        C  12 -11.605  10.854  -0.898
  122    H4*    C  12           H4*        C  12 -13.324  10.226   0.365
  123    H3*    C  12           H3*        C  12 -12.895  12.666   1.564
  124    H2*    C  12           H2*        C  12 -11.370  11.837   3.206
  125   2HO*    C  12          2HO*        C  12 -13.187  12.808   4.307
  126    H1*    C  12           H1*        C  12 -13.171   9.432   3.643
  127   1H4     C  12          1H4         C  12  -8.120   7.511   7.017
  128   2H4     C  12          2H4         C  12  -7.022   7.982   5.742
  129    H5     C  12           H5         C  12  -7.776   9.071   3.671
  130    H6     C  12           H6         C  12  -9.704   9.898   2.479
  131   1H5*    U  13          1H5*        U  13 -17.241   8.965   1.387
  132   2H5*    U  13          2H5*        U  13 -15.556   9.396   1.768
  133    H4*    U  13           H4*        U  13 -15.651   9.840  -0.919
  134    H3*    U  13           H3*        U  13 -17.954   8.537  -0.894
  135    H2*    U  13           H2*        U  13 -17.164   6.874   0.704
  136   2HO*    U  13          2HO*        U  13 -16.910   5.680  -1.867
  137    H1*    U  13           H1*        U  13 -14.829   6.324  -1.125
  138    H3     U  13           H3         U  13 -13.796   3.123   2.041
  139    H5     U  13           H5         U  13 -13.768   6.809   4.104
  140    H6     U  13           H6         U  13 -14.649   7.836   2.138
  141   1H5*    C  14          1H5*        C  14 -14.003   7.642  -4.239
  142   2H5*    C  14          2H5*        C  14 -13.728   7.374  -2.500
  143    H4*    C  14           H4*        C  14 -12.085   9.236  -4.256
  144    H3*    C  14           H3*        C  14 -11.579   6.396  -3.355
  145    H2*    C  14           H2*        C  14  -9.281   6.864  -2.984
  146   2HO*    C  14          2HO*        C  14  -8.332   8.784  -3.789
  147    H1*    C  14           H1*        C  14  -9.648   9.419  -1.977
  148   1H4     C  14          1H4         C  14  -9.084   5.767   3.212
  149   2H4     C  14          2H4         C  14 -10.743   5.249   3.048
  150    H5     C  14           H5         C  14 -12.151   5.888   1.159
  151    H6     C  14           H6         C  14 -12.218   7.121  -0.913
  152   1H5*    A  15          1H5*        A  15  -8.370   6.554  -5.339
  153   2H5*    A  15          2H5*        A  15  -8.310   5.359  -6.661
  154    H4*    A  15           H4*        A  15  -6.392   4.944  -5.333
  155    H3*    A  15           H3*        A  15  -8.597   2.999  -4.653
  156    H2*    A  15           H2*        A  15  -7.207   1.939  -3.015
  157   2HO*    A  15          2HO*        A  15  -4.990   2.572  -2.836
  158    H1*    A  15           H1*        A  15  -6.278   4.278  -1.936
  159    H8     A  15           H8         A  15  -9.810   4.536  -3.200
  160   1H6     A  15          1H6         A  15 -11.447   2.717   2.569
  161   2H6     A  15          2H6         A  15 -12.081   3.315   1.048
  162    H2     A  15           H2         A  15  -6.984   2.416   2.042
  163   1H5*    C  16          1H5*        C  16  -5.178   0.587  -5.602
  164   2H5*    C  16          2H5*        C  16  -5.639  -0.899  -6.478
  165    H4*    C  16           H4*        C  16  -4.358  -1.320  -4.381
  166    H3*    C  16           H3*        C  16  -7.215  -2.314  -4.471
  167    H2*    C  16           H2*        C  16  -6.826  -3.378  -2.362
  168   2HO*    C  16          2HO*        C  16  -4.730  -3.499  -1.495
  169    H1*    C  16           H1*        C  16  -5.417  -1.223  -1.325
  170   1H4     C  16          1H4         C  16 -11.401  -0.524   0.760
  171   2H4     C  16          2H4         C  16 -11.824   0.336  -0.705
  172    H5     C  16           H5         C  16 -10.279   0.585  -2.598
  173    H6     C  16           H6         C  16  -8.063   0.060  -3.406
  174   1H5*    G  17          1H5*        G  17  -4.543  -5.518  -3.513
  175   2H5*    G  17          2H5*        G  17  -4.938  -6.972  -4.466
  176    H4*    G  17           H4*        G  17  -4.613  -7.529  -2.106
  177    H3*    G  17           H3*        G  17  -7.484  -7.709  -3.044
  178    H2*    G  17           H2*        G  17  -8.053  -8.626  -0.897
  179   2HO*    G  17          2HO*        G  17  -6.407  -9.127   0.602
  180    H1*    G  17           H1*        G  17  -6.608  -6.744   0.484
  181    H8     G  17           H8         G  17  -7.975  -4.974  -2.543
  182    H1     G  17           H1         G  17 -12.359  -5.807   2.041
  183   1H2     G  17          1H2         G  17 -11.606  -7.205   3.584
  184   2H2     G  17          2H2         G  17 -10.014  -7.926   3.486
  185   1H5*    G  18          1H5*        G  18  -6.710 -11.430  -1.386
  186   2H5*    G  18          2H5*        G  18  -7.415 -12.760  -2.343
  187    H4*    G  18           H4*        G  18  -8.156 -12.756   0.030
  188    H3*    G  18           H3*        G  18 -10.305 -12.175  -2.023
  189    H2*    G  18           H2*        G  18 -11.901 -12.282  -0.243
  190   2HO*    G  18          2HO*        G  18 -11.293 -13.040   1.812
  191    H1*    G  18           H1*        G  18 -10.261 -10.891   1.540
  192    H8     G  18           H8         G  18 -10.056  -9.270  -1.877
  193    H1     G  18           H1         G  18 -15.310  -7.638   1.400
  194   1H2     G  18          1H2         G  18 -15.520  -8.916   3.194
  195   2H2     G  18          2H2         G  18 -14.367 -10.173   3.581
  196   1H5*    G  19          1H5*        G  19 -11.509 -15.518   0.299
  197   2H5*    G  19          2H5*        G  19 -12.337 -16.757  -0.683
  198    H4*    G  19           H4*        G  19 -13.582 -15.935   1.379
  199    H3*    G  19           H3*        G  19 -14.871 -15.662  -1.344
  200    H2*    G  19           H2*        G  19 -16.864 -14.899  -0.237
  201   2HO*    G  19          2HO*        G  19 -16.993 -14.946   2.044
  202    H1*    G  19           H1*        G  19 -15.502 -13.209   1.452
  203    H8     G  19           H8         G  19 -14.343 -13.758  -2.233
  204    H1     G  19           H1         G  19 -17.946  -8.566  -1.231
  205   1H2     G  19          1H2         G  19 -18.626  -8.499   0.865
  206   2H2     G  19          2H2         G  19 -18.194  -9.733   2.028
  207   1H5*    U  20          1H5*        U  20 -16.467 -15.953  -3.634
  208   2H5*    U  20          2H5*        U  20 -17.161 -15.684  -2.014
  209    H4*    U  20           H4*        U  20 -18.334 -17.220  -4.339
  210    H3*    U  20           H3*        U  20 -19.294 -14.921  -2.618
  211    H2*    U  20           H2*        U  20 -21.544 -15.602  -2.970
  212   2HO*    U  20          2HO*        U  20 -21.294 -16.041  -5.260
  213    H1*    U  20           H1*        U  20 -20.996 -18.335  -2.830
  214    H3     U  20           H3         U  20 -23.160 -18.103   1.086
  215    H5     U  20           H5         U  20 -20.002 -15.369   1.597
  216    H6     U  20           H6         U  20 -19.353 -15.789  -0.698
  217   1H5*    G  21          1H5*        G  21 -20.789 -11.309  -3.479
  218   2H5*    G  21          2H5*        G  21 -19.798 -12.323  -2.393
  219    H4*    G  21           H4*        G  21 -22.819 -12.132  -2.262
  220    H3*    G  21           H3*        G  21 -20.725 -10.664  -0.647
  221    H2*    G  21           H2*        G  21 -22.218 -10.762   1.218
  222   2HO*    G  21          2HO*        G  21 -24.105 -11.818  -0.657
  223    H1*    G  21           H1*        G  21 -22.871 -13.379   0.826
  224    H8     G  21           H8         G  21 -19.212 -12.591  -0.013
  225    H1     G  21           H1         G  21 -20.259 -14.085   6.111
  226   1H2     G  21          1H2         G  21 -22.429 -14.249   6.501
  227   2H2     G  21          2H2         G  21 -23.623 -13.981   5.252
  228   1H5*    A  22          1H5*        A  22 -24.423  -8.049  -0.315
  229   2H5*    A  22          2H5*        A  22 -23.942  -6.538   0.505
  230    H4*    A  22           H4*        A  22 -25.488  -8.248   1.744
  231    H3*    A  22           H3*        A  22 -23.026  -7.038   3.016
  232    H2*    A  22           H2*        A  22 -23.635  -8.154   5.062
  233   2HO*    A  22          2HO*        A  22 -25.618  -9.200   5.264
  234    H1*    A  22           H1*        A  22 -24.157 -10.526   3.788
  235    H8     A  22           H8         A  22 -21.296  -9.165   1.852
  236   1H6     A  22          1H6         A  22 -17.558 -11.099   6.368
  237   2H6     A  22          2H6         A  22 -17.636 -10.481   4.734
  238    H2     A  22           H2         A  22 -21.774 -11.362   7.829
  239   1H5*    C  23          1H5*        C  23 -22.358  -4.333   5.384
  240   2H5*    C  23          2H5*        C  23 -22.346  -5.408   3.970
  241    H4*    C  23           H4*        C  23 -21.735  -6.695   6.552
  242    H3*    C  23           H3*        C  23 -19.876  -4.637   5.350
  243    H2*    C  23           H2*        C  23 -18.023  -6.038   5.924
  244   2HO*    C  23          2HO*        C  23 -18.360  -7.936   7.149
  245    H1*    C  23           H1*        C  23 -19.179  -8.306   4.959
  246   1H4     C  23          1H4         C  23 -16.091  -5.779  -0.017
  247   2H4     C  23          2H4         C  23 -17.496  -4.815  -0.419
  248    H5     C  23           H5         C  23 -19.500  -4.727   1.000
  249    H6     C  23           H6         C  23 -20.517  -5.558   3.039
  250   1H5*    C  24          1H5*        C  24 -18.291  -5.894   9.118
  251   2H5*    C  24          2H5*        C  24 -17.352  -4.591   9.893
  252    H4*    C  24           H4*        C  24 -16.078  -6.730   9.444
  253    H3*    C  24           H3*        C  24 -15.102  -4.207   8.083
  254    H2*    C  24           H2*        C  24 -13.175  -5.474   7.411
  255   2HO*    C  24          2HO*        C  24 -12.863  -7.594   8.209
  256    H1*    C  24           H1*        C  24 -14.688  -7.693   6.712
  257   1H4     C  24          1H4         C  24 -13.844  -4.369   1.318
  258   2H4     C  24          2H4         C  24 -15.188  -3.329   1.731
  259    H5     C  24           H5         C  24 -16.380  -3.471   3.866
  260    H6     C  24           H6         C  24 -16.493  -4.630   5.982
  261   1H5*    G  25          1H5*        G  25 -11.952  -5.876  10.236
  262   2H5*    G  25          2H5*        G  25 -10.825  -4.672  10.910
  263    H4*    G  25           H4*        G  25  -9.749  -6.378   9.421
  264    H3*    G  25           H3*        G  25  -9.649  -3.489   8.527
  265    H2*    G  25           H2*        G  25  -8.220  -4.185   6.730
  266   2HO*    G  25          2HO*        G  25  -7.517  -6.367   6.617
  267    H1*    G  25           H1*        G  25  -9.796  -6.314   6.055
  268    H8     G  25           H8         G  25 -12.313  -3.786   7.133
  269    H1     G  25           H1         G  25  -9.657  -2.269   1.509
  270   1H2     G  25          1H2         G  25  -7.869  -3.520   1.153
  271   2H2     G  25          2H2         G  25  -7.337  -4.736   2.293
  272   1H5*    U  26          1H5*        U  26  -5.929  -4.536   7.948
  273   2H5*    U  26          2H5*        U  26  -4.752  -3.336   8.543
  274    H4*    U  26           H4*        U  26  -4.630  -3.857   6.067
  275    H3*    U  26           H3*        U  26  -5.207  -1.014   6.930
  276    H2*    U  26           H2*        U  26  -5.069  -0.363   4.645
  277   2HO*    U  26          2HO*        U  26  -4.242  -1.795   3.071
  278    H1*    U  26           H1*        U  26  -6.327  -2.685   3.691
  279    H3     U  26           H3         U  26  -8.783   1.131   2.776
  280    H5     U  26           H5         U  26 -10.142  -0.304   6.488
  281    H6     U  26           H6         U  26  -8.264  -1.836   6.507
  282   1H5*    G  27          1H5*        G  27  -1.868  -1.391   4.259
  283   2H5*    G  27          2H5*        G  27  -0.536  -0.274   4.647
  284    H4*    G  27           H4*        G  27  -1.571  -0.390   2.209
  285    H3*    G  27           H3*        G  27   0.017   1.506   3.396
  286    H2*    G  27           H2*        G  27  -1.809   2.760   4.286
  287   2HO*    G  27          2HO*        G  27  -0.597   4.228   3.040
  288    H1*    G  27           H1*        G  27  -3.212   2.424   1.620
  289    H8     G  27           H8         G  27  -4.288   1.699   5.255
  290    H1     G  27           H1         G  27  -7.553   6.382   2.369
  291   1H2     G  27          1H2         G  27  -6.691   6.817   0.379
  292   2H2     G  27          2H2         G  27  -5.302   5.949  -0.236
  293   1H5*    G  28          1H5*        G  28  -0.293   5.163  -0.288
  294   2H5*    G  28          2H5*        G  28   0.776   3.998  -1.107
  295    H4*    G  28           H4*        G  28   1.584   6.411  -0.999
  296    H3*    G  28           H3*        G  28   3.244   4.089  -0.078
  297    H2*    G  28           H2*        G  28   4.931   5.462   0.844
  298   2HO*    G  28          2HO*        G  28   3.630   7.581  -0.561
  299    H1*    G  28           H1*        G  28   3.349   7.292   2.004
  300    H8     G  28           H8         G  28   1.111   4.701   2.876
  301    H1     G  28           H1         G  28   6.775   3.546   5.558
  302   1H2     G  28          1H2         G  28   8.325   4.779   4.593
  303   2H2     G  28          2H2         G  28   7.961   5.887   3.295
  304   1H5*    U  29          1H5*        U  29   6.141   6.394  -1.946
  305   2H5*    U  29          2H5*        U  29   7.115   5.428  -3.088
  306    H4*    U  29           H4*        U  29   8.424   6.630  -1.276
  307    H3*    U  29           H3*        U  29   8.594   3.613  -1.503
  308    H2*    U  29           H2*        U  29  10.246   3.625   0.258
  309   2HO*    U  29          2HO*        U  29  11.010   5.575   1.100
  310    H1*    U  29           H1*        U  29   8.693   5.100   1.910
  311    H3     U  29           H3         U  29   8.538   0.469   2.504
  312    H5     U  29           H5         U  29   4.892   1.783   0.879
  313    H6     U  29           H6         U  29   5.935   3.905   0.420
  314   1H5*    C  30          1H5*        C  30  13.083   4.260  -2.233
  315   2H5*    C  30          2H5*        C  30  13.352   2.953  -3.419
  316    H4*    C  30           H4*        C  30  14.657   2.887  -1.179
  317    H3*    C  30           H3*        C  30  13.041   0.480  -2.068
  318    H2*    C  30           H2*        C  30  14.079  -0.695  -0.257
  319   2HO*    C  30          2HO*        C  30  15.749   0.344   0.956
  320    H1*    C  30           H1*        C  30  13.803   1.463   1.480
  321   1H4     C  30          1H4         C  30   8.935  -2.445   2.718
  322   2H4     C  30          2H4         C  30   7.995  -1.721   1.429
  323    H5     C  30           H5         C  30   8.919  -0.037  -0.114
  324    H6     C  30           H6         C  30  10.909   1.237  -0.663
  325   1H5*    C  31          1H5*        C  31  17.287  -0.691  -1.380
  326   2H5*    C  31          2H5*        C  31  17.591  -2.165  -2.339
  327    H4*    C  31           H4*        C  31  18.029  -2.369   0.148
  328    H3*    C  31           H3*        C  31  15.888  -4.178  -1.003
  329    H2*    C  31           H2*        C  31  15.974  -5.326   1.115
  330   2HO*    C  31          2HO*        C  31  18.150  -3.580   1.760
  331    H1*    C  31           H1*        C  31  16.019  -2.933   2.539
  332   1H4     C  31          1H4         C  31   9.900  -4.698   2.344
  333   2H4     C  31          2H4         C  31   9.738  -4.064   0.722
  334    H5     C  31           H5         C  31  11.636  -3.157  -0.554
  335    H6     C  31           H6         C  31  14.012  -2.715  -0.485
  336   1H5*    U  32          1H5*        U  32  18.571  -6.635   0.902
  337   2H5*    U  32          2H5*        U  32  18.929  -8.085  -0.067
  338    H4*    U  32           H4*        U  32  18.259  -8.707   2.192
  339    H3*    U  32           H3*        U  32  16.118  -9.329   0.152
  340    H2*    U  32           H2*        U  32  14.979 -10.491   1.907
  341   2HO*    U  32          2HO*        U  32  16.000 -10.779   3.940
  342    H1*    U  32           H1*        U  32  15.468  -8.506   3.761
  343    H3     U  32           H3         U  32  11.019  -8.421   2.749
  344    H5     U  32           H5         U  32  12.889  -6.270  -0.351
  345    H6     U  32           H6         U  32  15.038  -6.993   0.538
  346   1H5*    C  33          1H5*        C  33  16.865 -12.798   2.372
  347   2H5*    C  33          2H5*        C  33  16.916 -14.237   1.321
  348    H4*    C  33           H4*        C  33  15.366 -14.548   3.208
  349    H3*    C  33           H3*        C  33  13.992 -14.269   0.521
  350    H2*    C  33           H2*        C  33  11.962 -14.858   1.633
  351   2HO*    C  33          2HO*        C  33  11.984 -15.536   3.807
  352    H1*    C  33           H1*        C  33  12.450 -13.219   3.793
  353   1H4     C  33          1H4         C  33   8.905  -9.838  -0.312
  354   2H4     C  33          2H4         C  33  10.354  -9.292  -1.128
  355    H5     C  33           H5         C  33  12.601 -10.129  -0.567
  356    H6     C  33           H6         C  33  13.828 -11.634   0.869
  357   1H5*    C  34          1H5*        C  34  12.508 -17.740   2.558
  358   2H5*    C  34          2H5*        C  34  12.316 -19.047   1.368
  359    H4*    C  34           H4*        C  34  10.283 -18.540   2.788
  360    H3*    C  34           H3*        C  34  10.067 -18.304  -0.222
  361    H2*    C  34           H2*        C  34   7.727 -17.933   0.042
  362   2HO*    C  34          2HO*        C  34   6.766 -18.182   2.142
  363    H1*    C  34           H1*        C  34   8.030 -16.291   2.276
  364   1H4     C  34          1H4         C  34   7.412 -12.497  -2.844
  365   2H4     C  34          2H4         C  34   9.157 -12.402  -2.963
  366    H5     C  34           H5         C  34  10.671 -13.753  -1.562
  367    H6     C  34           H6         C  34  10.761 -15.418   0.187
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1   1.347 -12.312   1.492
    2   2H5*    G   1          2H5*        G   1   2.750 -12.183   0.432
    3    H4*    G   1           H4*        G   1   2.097 -14.567   2.179
    4    H3*    G   1           H3*        G   1   4.105 -12.331   2.545
    5    H2*    G   1           H2*        G   1   5.529 -13.897   3.653
    6   2HO*    G   1          2HO*        G   1   4.800 -15.934   4.237
    7    H1*    G   1           H1*        G   1   5.149 -15.866   1.798
    8    H8     G   1           H8         G   1   5.179 -12.647  -0.130
    9    H1     G   1           H1         G   1  11.029 -14.448   1.716
   10   1H2     G   1          1H2         G   1  10.895 -16.089   3.190
   11   2H2     G   1          2H2         G   1   9.361 -16.753   3.710
   12   1H5*    G   2          1H5*        G   2   3.865 -14.201   6.409
   13   2H5*    G   2          2H5*        G   2   4.078 -12.951   7.665
   14    H4*    G   2           H4*        G   2   5.755 -14.882   7.659
   15    H3*    G   2           H3*        G   2   6.765 -12.036   7.429
   16    H2*    G   2           H2*        G   2   8.980 -12.908   7.618
   17   2HO*    G   2          2HO*        G   2   9.302 -15.120   8.158
   18    H1*    G   2           H1*        G   2   8.454 -15.112   5.990
   19    H8     G   2           H8         G   2   6.835 -12.430   4.065
   20    H1     G   2           H1         G   2  13.195 -11.756   4.005
   21   1H2     G   2          1H2         G   2  14.118 -13.038   5.552
   22   2H2     G   2          2H2         G   2  13.166 -14.063   6.602
   23   1H5*    A   3          1H5*        A   3   8.882 -13.623  11.045
   24   2H5*    A   3          2H5*        A   3   8.579 -12.352  12.260
   25    H4*    A   3           H4*        A   3  10.941 -12.897  12.247
   26    H3*    A   3           H3*        A   3  10.379 -10.254  10.880
   27    H2*    A   3           H2*        A   3  12.768  -9.926  10.775
   28   2HO*    A   3          2HO*        A   3  14.148 -11.509  11.727
   29    H1*    A   3           H1*        A   3  13.213 -12.445   9.801
   30    H8     A   3           H8         A   3   9.890 -11.422   8.372
   31   1H6     A   3          1H6         A   3  13.022  -8.166   4.148
   32   2H6     A   3          2H6         A   3  11.453  -8.787   4.611
   33    H2     A   3           H2         A   3  15.889  -9.504   7.331
   34   1H5*    G   4          1H5*        G   4  13.188  -9.263  13.807
   35   2H5*    G   4          2H5*        G   4  12.764  -7.745  14.638
   36    H4*    G   4           H4*        G   4  15.051  -7.673  13.738
   37    H3*    G   4           H3*        G   4  13.104  -5.874  12.274
   38    H2*    G   4           H2*        G   4  14.993  -4.995  11.073
   39   2HO*    G   4          2HO*        G   4  16.533  -5.031  12.802
   40    H1*    G   4           H1*        G   4  15.997  -7.483  10.533
   41    H8     G   4           H8         G   4  12.283  -7.944  10.512
   42    H1     G   4           H1         G   4  14.431  -4.963   5.287
   43   1H2     G   4          1H2         G   4  16.533  -4.344   5.570
   44   2H2     G   4          2H2         G   4  17.410  -4.679   7.044
   45   1H5*    G   5          1H5*        G   5  16.135  -2.828  13.378
   46   2H5*    G   5          2H5*        G   5  15.126  -1.489  13.986
   47    H4*    G   5           H4*        G   5  16.710  -0.841  12.149
   48    H3*    G   5           H3*        G   5  13.748  -0.578  11.565
   49    H2*    G   5           H2*        G   5  14.352   0.507   9.508
   50   2HO*    G   5          2HO*        G   5  16.571   0.948   9.077
   51    H1*    G   5           H1*        G   5  16.270  -1.360   8.892
   52    H8     G   5           H8         G   5  13.590  -3.370  10.559
   53    H1     G   5           H1         G   5  11.932  -1.536   4.659
   54   1H2     G   5          1H2         G   5  13.348  -0.013   3.899
   55   2H2     G   5          2H2         G   5  14.696   0.559   4.855
   56   1H5*    A   6          1H5*        A   6  15.701   3.417  10.861
   57   2H5*    A   6          2H5*        A   6  14.437   4.651  11.117
   58    H4*    A   6           H4*        A   6  15.664   4.503   8.806
   59    H3*    A   6           H3*        A   6  12.647   4.650   9.033
   60    H2*    A   6           H2*        A   6  12.580   4.822   6.651
   61   2HO*    A   6          2HO*        A   6  14.499   5.129   5.457
   62    H1*    A   6           H1*        A   6  14.566   2.927   6.266
   63    H8     A   6           H8         A   6  12.352   1.531   8.948
   64   1H6     A   6          1H6         A   6   8.406  -0.114   4.488
   65   2H6     A   6          2H6         A   6   8.819  -0.286   6.177
   66    H2     A   6           H2         A   6  11.490   2.633   2.708
   67   1H5*    C   7          1H5*        C   7  13.942   7.545   6.202
   68   2H5*    C   7          2H5*        C   7  12.866   8.966   6.232
   69    H4*    C   7           H4*        C   7  13.072   7.736   4.007
   70    H3*    C   7           H3*        C   7  10.344   8.042   5.263
   71    H2*    C   7           H2*        C   7   9.414   7.145   3.241
   72   2HO*    C   7          2HO*        C   7  10.726   6.838   1.412
   73    H1*    C   7           H1*        C   7  11.368   5.188   3.021
   74   1H4     C   7          1H4         C   7   6.366   2.499   5.962
   75   2H4     C   7          2H4         C   7   7.069   2.912   7.511
   76    H5     C   7           H5         C   7   9.087   4.301   7.734
   77    H6     C   7           H6         C   7  10.769   5.527   6.502
   78   1H5*    A   8          1H5*        A   8   8.309  11.101   1.153
   79   2H5*    A   8          2H5*        A   8   7.312  10.557   2.529
   80    H4*    A   8           H4*        A   8   7.626   9.404  -0.179
   81    H3*    A   8           H3*        A   8   5.483   9.422   1.949
   82    H2*    A   8           H2*        A   8   4.504   7.442   1.003
   83   2HO*    A   8          2HO*        A   8   5.386   6.544  -0.915
   84    H1*    A   8           H1*        A   8   6.787   6.076   0.893
   85    H8     A   8           H8         A   8   7.797   8.105   3.742
   86   1H6     A   8          1H6         A   8   3.805   5.000   7.318
   87   2H6     A   8          2H6         A   8   5.171   6.091   7.310
   88    H2     A   8           H2         A   8   2.844   4.130   3.026
   89   1H5*    U   9          1H5*        U   9   3.658   8.278  -0.820
   90   2H5*    U   9          2H5*        U   9   2.465   9.301  -1.649
   91    H4*    U   9           H4*        U   9   1.577   7.088  -1.431
   92    H3*    U   9           H3*        U   9   0.292   9.270   0.037
   93    H2*    U   9           H2*        U   9  -0.520   8.046   1.793
   94   2HO*    U   9          2HO*        U   9  -1.526   6.013   1.477
   95    H1*    U   9           H1*        U   9   0.752   5.528   1.433
   96    H3     U   9           H3         U   9   0.691   6.401   5.925
   97    H5     U   9           H5         U   9   3.700   8.880   4.343
   98    H6     U   9           H6         U   9   2.984   8.234   2.136
   99   1H5*    U  10          1H5*        U  10  -1.865   9.208   0.129
  100   2H5*    U  10          2H5*        U  10  -3.539   9.705  -0.201
  101    H4*    U  10           H4*        U  10  -2.706  12.057  -0.423
  102    H3*    U  10           H3*        U  10  -0.140  11.032  -0.426
  103    H2*    U  10           H2*        U  10  -0.015  10.554   1.837
  104   2HO*    U  10          2HO*        U  10   0.461  13.341   1.910
  105    H1*    U  10           H1*        U  10  -1.707  12.954   2.495
  106    H3     U  10           H3         U  10  -2.985  11.567   6.716
  107    H5     U  10           H5         U  10  -0.491   8.484   5.272
  108    H6     U  10           H6         U  10  -0.462   9.619   3.144
  109   1H5*    C  11          1H5*        C  11  -3.645  15.480   1.630
  110   2H5*    C  11          2H5*        C  11  -3.217  14.111   2.683
  111    H4*    C  11           H4*        C  11  -5.668  14.607   1.092
  112    H3*    C  11           H3*        C  11  -5.040  13.639   3.798
  113    H2*    C  11           H2*        C  11  -5.528  11.422   3.296
  114   2HO*    C  11          2HO*        C  11  -7.570  12.184   4.206
  115    H1*    C  11           H1*        C  11  -7.084  12.283   0.851
  116   1H4     C  11          1H4         C  11  -5.957   6.387  -1.299
  117   2H4     C  11          2H4         C  11  -5.012   6.001   0.120
  118    H5     C  11           H5         C  11  -4.516   7.645   1.872
  119    H6     C  11           H6         C  11  -4.817   9.936   2.556
  120   1H5*    C  12          1H5*        C  12  -9.343  13.173   3.443
  121   2H5*    C  12          2H5*        C  12  -9.977  14.716   4.092
  122    H4*    C  12           H4*        C  12 -11.534  13.000   4.591
  123    H3*    C  12           H3*        C  12 -10.518  14.497   6.711
  124    H2*    C  12           H2*        C  12  -9.041  12.758   7.445
  125   2HO*    C  12          2HO*        C  12 -10.303  11.489   9.088
  126    H1*    C  12           H1*        C  12 -11.254  10.763   6.817
  127   1H4     C  12          1H4         C  12  -6.534   6.776   8.494
  128   2H4     C  12          2H4         C  12  -5.665   7.215   7.042
  129    H5     C  12           H5         C  12  -6.420   8.997   5.526
  130    H6     C  12           H6         C  12  -8.129  10.649   5.152
  131   1H5*    U  13          1H5*        U  13 -15.721  12.145   5.422
  132   2H5*    U  13          2H5*        U  13 -14.382  11.810   6.551
  133    H4*    U  13           H4*        U  13 -13.357  13.171   4.251
  134    H3*    U  13           H3*        U  13 -15.469  11.715   3.253
  135    H2*    U  13           H2*        U  13 -14.719   9.679   4.295
  136   2HO*    U  13          2HO*        U  13 -14.889   9.461   1.915
  137    H1*    U  13           H1*        U  13 -11.961  10.414   3.294
  138    H3     U  13           H3         U  13  -9.704   7.077   5.470
  139    H5     U  13           H5         U  13 -13.589   7.002   7.113
  140    H6     U  13           H6         U  13 -14.111   8.907   5.834
  141   1H5*    C  14          1H5*        C  14 -13.701   9.741  -1.518
  142   2H5*    C  14          2H5*        C  14 -13.498   9.220   0.174
  143    H4*    C  14           H4*        C  14 -11.219  10.135  -1.606
  144    H3*    C  14           H3*        C  14 -12.181   7.330  -0.981
  145    H2*    C  14           H2*        C  14  -9.896   6.597  -1.092
  146   2HO*    C  14          2HO*        C  14  -9.221   9.274  -1.844
  147    H1*    C  14           H1*        C  14  -8.953   8.693   0.413
  148   1H4     C  14          1H4         C  14 -10.326   3.994   4.530
  149   2H4     C  14          2H4         C  14 -11.912   4.694   4.775
  150    H5     C  14           H5         C  14 -12.762   6.594   3.462
  151    H6     C  14           H6         C  14 -12.212   8.131   1.686
  152   1H5*    A  15          1H5*        A  15  -9.344   6.738  -3.726
  153   2H5*    A  15          2H5*        A  15  -9.880   5.690  -5.060
  154    H4*    A  15           H4*        A  15  -7.780   4.905  -4.001
  155    H3*    A  15           H3*        A  15 -10.193   3.112  -3.654
  156    H2*    A  15           H2*        A  15  -8.762   1.493  -2.588
  157   2HO*    A  15          2HO*        A  15  -6.641   3.263  -3.388
  158    H1*    A  15           H1*        A  15  -7.523   3.363  -1.007
  159    H8     A  15           H8         A  15 -11.168   4.095  -1.774
  160   1H6     A  15          1H6         A  15 -12.339   0.881   3.467
  161   2H6     A  15          2H6         A  15 -13.075   1.853   2.210
  162    H2     A  15           H2         A  15  -7.933   0.672   2.484
  163   1H5*    C  16          1H5*        C  16  -7.369   0.591  -5.617
  164   2H5*    C  16          2H5*        C  16  -8.175  -0.435  -6.837
  165    H4*    C  16           H4*        C  16  -6.885  -1.708  -5.112
  166    H3*    C  16           H3*        C  16  -9.884  -2.135  -5.172
  167    H2*    C  16           H2*        C  16  -9.565  -3.884  -3.568
  168   2HO*    C  16          2HO*        C  16  -7.420  -4.514  -2.988
  169    H1*    C  16           H1*        C  16  -7.747  -2.414  -2.079
  170   1H4     C  16          1H4         C  16 -13.481  -1.605   0.631
  171   2H4     C  16          2H4         C  16 -13.687  -0.126  -0.285
  172    H5     C  16           H5         C  16 -12.115   0.590  -2.029
  173    H6     C  16           H6         C  16 -10.068   0.023  -3.185
  174   1H5*    G  17          1H5*        G  17  -8.046  -5.981  -5.865
  175   2H5*    G  17          2H5*        G  17  -8.938  -6.897  -7.106
  176    H4*    G  17           H4*        G  17  -8.617  -8.262  -5.115
  177    H3*    G  17           H3*        G  17 -11.473  -7.323  -5.475
  178    H2*    G  17           H2*        G  17 -12.082  -8.701  -3.600
  179   2HO*    G  17          2HO*        G  17 -10.462 -10.033  -2.621
  180    H1*    G  17           H1*        G  17  -9.989  -7.830  -2.061
  181    H8     G  17           H8         G  17 -11.095  -4.948  -4.260
  182    H1     G  17           H1         G  17 -14.804  -5.801   0.878
  183   1H2     G  17          1H2         G  17 -14.313  -7.720   1.868
  184   2H2     G  17          2H2         G  17 -13.061  -8.782   1.265
  185   1H5*    G  18          1H5*        G  18 -11.765 -11.619  -5.317
  186   2H5*    G  18          2H5*        G  18 -13.003 -12.192  -6.468
  187    H4*    G  18           H4*        G  18 -13.377 -12.947  -4.113
  188    H3*    G  18           H3*        G  18 -15.458 -11.105  -5.314
  189    H2*    G  18           H2*        G  18 -16.782 -11.434  -3.346
  190   2HO*    G  18          2HO*        G  18 -16.371 -13.699  -3.078
  191    H1*    G  18           H1*        G  18 -14.609 -11.222  -1.629
  192    H8     G  18           H8         G  18 -14.114  -8.655  -4.343
  193    H1     G  18           H1         G  18 -18.456  -6.872   0.004
  194   1H2     G  18          1H2         G  18 -18.977  -8.574   1.315
  195   2H2     G  18          2H2         G  18 -18.259 -10.157   1.115
  196   1H5*    G  19          1H5*        G  19 -19.372 -15.454  -6.214
  197   2H5*    G  19          2H5*        G  19 -19.424 -13.807  -6.899
  198    H4*    G  19           H4*        G  19 -20.428 -14.822  -4.260
  199    H3*    G  19           H3*        G  19 -21.454 -12.853  -6.319
  200    H2*    G  19           H2*        G  19 -22.866 -11.924  -4.610
  201   2HO*    G  19          2HO*        G  19 -23.436 -13.906  -3.555
  202    H1*    G  19           H1*        G  19 -20.855 -11.891  -2.727
  203    H8     G  19           H8         G  19 -20.168 -11.141  -6.495
  204    H1     G  19           H1         G  19 -20.814  -5.945  -2.728
  205   1H2     G  19          1H2         G  19 -21.308  -6.570  -0.630
  206   2H2     G  19          2H2         G  19 -21.479  -8.258  -0.184
  207   1H5*    U  20          1H5*        U  20 -23.116 -12.185  -8.699
  208   2H5*    U  20          2H5*        U  20 -23.145 -12.168  -6.923
  209    H4*    U  20           H4*        U  20 -25.269 -11.453  -8.878
  210    H3*    U  20           H3*        U  20 -24.300 -10.462  -6.214
  211    H2*    U  20           H2*        U  20 -26.437  -9.798  -5.503
  212   2HO*    U  20          2HO*        U  20 -27.022  -8.765  -7.506
  213    H1*    U  20           H1*        U  20 -27.875 -11.878  -6.597
  214    H3     U  20           H3         U  20 -27.164 -11.745  -1.855
  215    H5     U  20           H5         U  20 -25.193 -15.056  -3.541
  216    H6     U  20           H6         U  20 -25.560 -14.040  -5.761
  217   1H5*    G  21          1H5*        G  21 -24.002  -6.459  -4.668
  218   2H5*    G  21          2H5*        G  21 -23.933  -8.204  -4.303
  219    H4*    G  21           H4*        G  21 -26.490  -6.619  -4.079
  220    H3*    G  21           H3*        G  21 -24.309  -6.910  -2.024
  221    H2*    G  21           H2*        G  21 -25.937  -7.225  -0.308
  222   2HO*    G  21          2HO*        G  21 -28.149  -6.923  -0.737
  223    H1*    G  21           H1*        G  21 -27.460  -8.965  -1.687
  224    H8     G  21           H8         G  21 -23.898  -9.575  -2.791
  225    H1     G  21           H1         G  21 -25.317 -12.321   2.802
  226   1H2     G  21          1H2         G  21 -27.284 -11.615   3.527
  227   2H2     G  21          2H2         G  21 -28.244 -10.456   2.639
  228   1H5*    A  22          1H5*        A  22 -26.886  -4.287  -0.611
  229   2H5*    A  22          2H5*        A  22 -26.382  -2.837   0.298
  230    H4*    A  22           H4*        A  22 -27.768  -4.173   1.740
  231    H3*    A  22           H3*        A  22 -24.835  -4.454   2.409
  232    H2*    A  22           H2*        A  22 -25.449  -5.812   4.294
  233   2HO*    A  22          2HO*        A  22 -28.134  -5.134   3.556
  234    H1*    A  22           H1*        A  22 -27.118  -7.375   2.849
  235    H8     A  22           H8         A  22 -24.404  -6.315   0.456
  236   1H6     A  22          1H6         A  22 -20.941 -10.863   2.764
  237   2H6     A  22          2H6         A  22 -21.084  -9.668   1.495
  238    H2     A  22           H2         A  22 -24.542 -10.401   5.361
  239   1H5*    C  23          1H5*        C  23 -25.150  -3.946   5.305
  240   2H5*    C  23          2H5*        C  23 -23.930  -3.173   6.343
  241    H4*    C  23           H4*        C  23 -23.767  -5.713   5.968
  242    H3*    C  23           H3*        C  23 -21.407  -3.915   5.393
  243    H2*    C  23           H2*        C  23 -20.111  -5.900   5.026
  244   2HO*    C  23          2HO*        C  23 -21.030  -7.958   5.462
  245    H1*    C  23           H1*        C  23 -22.094  -7.141   3.547
  246   1H4     C  23          1H4         C  23 -18.322  -4.228  -0.695
  247   2H4     C  23          2H4         C  23 -19.270  -2.766  -0.546
  248    H5     C  23           H5         C  23 -21.079  -2.516   1.097
  249    H6     C  23           H6         C  23 -22.302  -3.620   2.866
  250   1H5*    C  24          1H5*        C  24 -20.241  -6.934   8.114
  251   2H5*    C  24          2H5*        C  24 -19.005  -6.380   9.276
  252    H4*    C  24           H4*        C  24 -18.331  -8.397   7.962
  253    H3*    C  24           H3*        C  24 -16.715  -5.880   7.492
  254    H2*    C  24           H2*        C  24 -15.209  -7.224   6.199
  255   2HO*    C  24          2HO*        C  24 -15.438  -9.493   6.158
  256    H1*    C  24           H1*        C  24 -17.266  -8.600   4.933
  257   1H4     C  24          1H4         C  24 -15.683  -3.866   0.950
  258   2H4     C  24          2H4         C  24 -16.666  -2.744   1.862
  259    H5     C  24           H5         C  24 -17.797  -3.349   3.949
  260    H6     C  24           H6         C  24 -18.182  -5.132   5.529
  261   1H5*    G  25          1H5*        G  25 -13.947  -8.778   8.471
  262   2H5*    G  25          2H5*        G  25 -12.868  -8.213   9.772
  263    H4*    G  25           H4*        G  25 -11.528  -9.123   7.983
  264    H3*    G  25           H3*        G  25 -11.476  -6.096   8.012
  265    H2*    G  25           H2*        G  25  -9.835  -6.188   6.274
  266   2HO*    G  25          2HO*        G  25  -9.019  -8.254   5.603
  267    H1*    G  25           H1*        G  25 -11.175  -8.119   4.842
  268    H8     G  25           H8         G  25 -13.824  -5.877   6.311
  269    H1     G  25           H1         G  25 -10.873  -3.267   1.261
  270   1H2     G  25          1H2         G  25  -9.076  -4.450   0.740
  271   2H2     G  25          2H2         G  25  -8.608  -5.881   1.630
  272   1H5*    U  26          1H5*        U  26  -7.503  -7.128   7.879
  273   2H5*    U  26          2H5*        U  26  -6.488  -6.007   8.825
  274    H4*    U  26           H4*        U  26  -5.996  -6.154   6.328
  275    H3*    U  26           H3*        U  26  -6.724  -3.476   7.537
  276    H2*    U  26           H2*        U  26  -6.244  -2.480   5.417
  277   2HO*    U  26          2HO*        U  26  -5.185  -3.659   3.791
  278    H1*    U  26           H1*        U  26  -7.387  -4.575   3.954
  279    H3     U  26           H3         U  26  -9.831  -0.735   3.298
  280    H5     U  26           H5         U  26 -11.381  -2.490   6.800
  281    H6     U  26           H6         U  26  -9.524  -4.044   6.765
  282   1H5*    G  27          1H5*        G  27  -2.960  -3.763   5.477
  283   2H5*    G  27          2H5*        G  27  -1.685  -2.650   6.030
  284    H4*    G  27           H4*        G  27  -2.499  -2.786   3.484
  285    H3*    G  27           H3*        G  27  -0.860  -0.989   4.785
  286    H2*    G  27           H2*        G  27  -2.616   0.462   5.452
  287   2HO*    G  27          2HO*        G  27  -1.179   1.723   4.181
  288    H1*    G  27           H1*        G  27  -3.895   0.148   2.722
  289    H8     G  27           H8         G  27  -5.178  -0.472   6.301
  290    H1     G  27           H1         G  27  -8.040   4.364   3.245
  291   1H2     G  27          1H2         G  27  -7.058   4.732   1.299
  292   2H2     G  27          2H2         G  27  -5.699   3.775   0.747
  293   1H5*    G  28          1H5*        G  28  -1.204  -0.543  -0.237
  294   2H5*    G  28          2H5*        G  28  -0.637  -2.042  -1.009
  295    H4*    G  28           H4*        G  28   0.339  -0.288  -2.242
  296    H3*    G  28           H3*        G  28   2.301  -1.400  -0.237
  297    H2*    G  28           H2*        G  28   3.951   0.142  -0.999
  298   2HO*    G  28          2HO*        G  28   3.457   0.084  -3.252
  299    H1*    G  28           H1*        G  28   2.328   2.284  -0.960
  300    H8     G  28           H8         G  28   1.002   0.193   1.861
  301    H1     G  28           H1         G  28   6.497   3.119   3.329
  302   1H2     G  28          1H2         G  28   7.414   3.991   1.517
  303   2H2     G  28          2H2         G  28   6.674   3.844  -0.063
  304   1H5*    U  29          1H5*        U  29   4.455  -1.848  -4.237
  305   2H5*    U  29          2H5*        U  29   5.646  -3.155  -3.982
  306    H4*    U  29           H4*        U  29   6.488  -0.772  -4.607
  307    H3*    U  29           H3*        U  29   7.609  -2.277  -2.230
  308    H2*    U  29           H2*        U  29   9.191  -0.513  -2.001
  309   2HO*    U  29          2HO*        U  29   9.384   1.090  -3.631
  310    H1*    U  29           H1*        U  29   7.342   1.481  -2.624
  311    H3     U  29           H3         U  29   8.893   1.654   1.820
  312    H5     U  29           H5         U  29   5.459  -0.794   1.804
  313    H6     U  29           H6         U  29   5.526  -0.761  -0.600
  314   1H5*    C  30          1H5*        C  30  10.933  -0.956  -4.485
  315   2H5*    C  30          2H5*        C  30  12.306  -2.076  -4.281
  316    H4*    C  30           H4*        C  30  12.546   0.385  -3.455
  317    H3*    C  30           H3*        C  30  13.252  -2.008  -1.752
  318    H2*    C  30           H2*        C  30  13.966  -0.540  -0.019
  319   2HO*    C  30          2HO*        C  30  13.704   1.541  -1.967
  320    H1*    C  30           H1*        C  30  11.895   1.277  -0.367
  321   1H4     C  30          1H4         C  30  10.312  -2.741   4.408
  322   2H4     C  30          2H4         C  30   9.202  -3.513   3.301
  323    H5     C  30           H5         C  30   9.104  -2.976   0.917
  324    H6     C  30           H6         C  30  10.061  -1.614  -0.826
  325   1H5*    C  31          1H5*        C  31  16.554   0.314  -1.014
  326   2H5*    C  31          2H5*        C  31  17.982  -0.574  -1.611
  327    H4*    C  31           H4*        C  31  18.495   0.105   0.613
  328    H3*    C  31           H3*        C  31  17.606  -2.787   0.576
  329    H2*    C  31           H2*        C  31  18.098  -2.913   2.916
  330   2HO*    C  31          2HO*        C  31  19.164  -0.271   2.594
  331    H1*    C  31           H1*        C  31  16.869  -0.537   3.503
  332   1H4     C  31          1H4         C  31  12.333  -4.984   4.091
  333   2H4     C  31          2H4         C  31  11.923  -4.799   2.400
  334    H5     C  31           H5         C  31  13.215  -3.389   0.865
  335    H6     C  31           H6         C  31  15.117  -1.910   0.698
  336   1H5*    U  32          1H5*        U  32  20.611  -3.513   3.046
  337   2H5*    U  32          2H5*        U  32  21.826  -4.395   2.085
  338    H4*    U  32           H4*        U  32  21.606  -5.676   4.030
  339    H3*    U  32           H3*        U  32  19.730  -6.851   1.971
  340    H2*    U  32           H2*        U  32  19.280  -8.603   3.516
  341   2HO*    U  32          2HO*        U  32  21.279  -7.396   5.170
  342    H1*    U  32           H1*        U  32  18.918  -6.957   5.610
  343    H3     U  32           H3         U  32  14.886  -8.470   4.312
  344    H5     U  32           H5         U  32  15.581  -5.140   1.868
  345    H6     U  32           H6         U  32  17.884  -5.076   2.721
  346   1H5*    C  33          1H5*        C  33  22.038 -10.009   3.713
  347   2H5*    C  33          2H5*        C  33  22.231 -11.349   2.556
  348    H4*    C  33           H4*        C  33  21.104 -11.945   4.747
  349    H3*    C  33           H3*        C  33  19.511 -12.356   2.203
  350    H2*    C  33           H2*        C  33  17.896 -13.480   3.558
  351   2HO*    C  33          2HO*        C  33  19.783 -13.184   5.688
  352    H1*    C  33           H1*        C  33  17.982 -11.582   5.554
  353   1H4     C  33          1H4         C  33  13.170  -9.939   1.688
  354   2H4     C  33          2H4         C  33  14.275  -9.040   0.670
  355    H5     C  33           H5         C  33  16.716  -9.043   1.016
  356    H6     C  33           H6         C  33  18.498  -9.925   2.392
  357   1H5*    C  34          1H5*        C  34  19.485 -15.947   4.611
  358   2H5*    C  34          2H5*        C  34  19.501 -17.357   3.527
  359    H4*    C  34           H4*        C  34  17.625 -17.301   5.222
  360    H3*    C  34           H3*        C  34  16.906 -17.355   2.280
  361    H2*    C  34           H2*        C  34  14.622 -17.626   2.928
  362   2HO*    C  34          2HO*        C  34  14.113 -17.966   5.167
  363    H1*    C  34           H1*        C  34  14.793 -15.789   5.023
  364   1H4     C  34          1H4         C  34  12.367 -12.661   0.001
  365   2H4     C  34          2H4         C  34  13.983 -12.226  -0.511
  366    H5     C  34           H5         C  34  16.011 -13.097   0.580
  367    H6     C  34           H6         C  34  16.826 -14.524   2.350
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1  -2.115  -9.883   2.385
    2   2H5*    G   1          2H5*        G   1  -0.867 -10.076   1.153
    3    H4*    G   1           H4*        G   1  -1.894 -12.277   2.959
    4    H3*    G   1           H3*        G   1   0.650 -10.641   3.077
    5    H2*    G   1           H2*        G   1   1.755 -12.561   3.974
    6   2HO*    G   1          2HO*        G   1   0.610 -14.373   4.627
    7    H1*    G   1           H1*        G   1   0.664 -14.292   2.169
    8    H8     G   1           H8         G   1   1.240 -11.113   0.267
    9    H1     G   1           H1         G   1   6.658 -14.337   1.327
   10   1H2     G   1          1H2         G   1   6.316 -15.946   2.800
   11   2H2     G   1          2H2         G   1   4.747 -16.237   3.517
   12   1H5*    G   2          1H5*        G   2   0.440 -12.469   7.013
   13   2H5*    G   2          2H5*        G   2   1.123 -11.309   8.182
   14    H4*    G   2           H4*        G   2   2.254 -13.595   8.034
   15    H3*    G   2           H3*        G   2   3.900 -11.095   7.560
   16    H2*    G   2           H2*        G   2   5.833 -12.500   7.499
   17   2HO*    G   2          2HO*        G   2   5.680 -14.702   8.088
   18    H1*    G   2           H1*        G   2   4.572 -14.484   6.012
   19    H8     G   2           H8         G   2   3.384 -11.458   4.296
   20    H1     G   2           H1         G   2   9.632 -12.352   3.299
   21   1H2     G   2          1H2         G   2  10.440 -13.829   4.726
   22   2H2     G   2          2H2         G   2   9.436 -14.611   5.927
   23   1H5*    A   3          1H5*        A   3   6.064 -13.128  10.927
   24   2H5*    A   3          2H5*        A   3   6.295 -11.797  12.093
   25    H4*    A   3           H4*        A   3   8.405 -12.965  11.708
   26    H3*    A   3           H3*        A   3   8.311 -10.226  10.416
   27    H2*    A   3           H2*        A   3  10.653 -10.506   9.908
   28   2HO*    A   3          2HO*        A   3  11.729 -12.413  10.639
   29    H1*    A   3           H1*        A   3  10.282 -13.028   8.913
   30    H8     A   3           H8         A   3   7.131 -11.199   8.020
   31   1H6     A   3          1H6         A   3  10.245  -8.650   3.326
   32   2H6     A   3          2H6         A   3   8.666  -8.896   4.038
   33    H2     A   3           H2         A   3  13.176 -10.718   6.024
   34   1H5*    G   4          1H5*        G   4  11.745 -10.114  12.759
   35   2H5*    G   4          2H5*        G   4  11.883  -8.580  13.654
   36    H4*    G   4           H4*        G   4  13.920  -9.064  12.364
   37    H3*    G   4           H3*        G   4  12.300  -6.743  11.283
   38    H2*    G   4           H2*        G   4  14.110  -6.328   9.758
   39   2HO*    G   4          2HO*        G   4  15.870  -6.835  11.166
   40    H1*    G   4           H1*        G   4  14.325  -8.963   9.044
   41    H8     G   4           H8         G   4  10.672  -8.480   9.661
   42    H1     G   4           H1         G   4  12.605  -5.822   4.182
   43   1H2     G   4          1H2         G   4  14.813  -5.753   4.101
   44   2H2     G   4          2H2         G   4  15.811  -6.377   5.394
   45   1H5*    G   5          1H5*        G   5  16.199  -4.805  11.866
   46   2H5*    G   5          2H5*        G   5  15.809  -3.233  12.615
   47    H4*    G   5           H4*        G   5  17.191  -3.067  10.527
   48    H3*    G   5           H3*        G   5  14.431  -1.818  10.458
   49    H2*    G   5           H2*        G   5  14.993  -0.916   8.303
   50   2HO*    G   5          2HO*        G   5  17.125  -1.216   7.477
   51    H1*    G   5           H1*        G   5  16.047  -3.284   7.394
   52    H8     G   5           H8         G   5  13.205  -4.399   9.546
   53    H1     G   5           H1         G   5  11.196  -1.840   4.044
   54   1H2     G   5          1H2         G   5  12.868  -0.819   3.012
   55   2H2     G   5          2H2         G   5  14.480  -0.761   3.690
   56   1H5*    A   6          1H5*        A   6  17.460   1.282   9.325
   57   2H5*    A   6          2H5*        A   6  16.812   2.860   9.848
   58    H4*    A   6           H4*        A   6  17.443   2.566   7.360
   59    H3*    A   6           H3*        A   6  14.685   3.534   8.150
   60    H2*    A   6           H2*        A   6  14.279   3.927   5.822
   61   2HO*    A   6          2HO*        A   6  15.965   3.707   4.306
   62    H1*    A   6           H1*        A   6  15.390   1.539   5.039
   63    H8     A   6           H8         A   6  13.511   0.874   8.248
   64   1H6     A   6          1H6         A   6   8.359   0.596   4.846
   65   2H6     A   6          2H6         A   6   9.059   0.297   6.420
   66    H2     A   6           H2         A   6  11.662   2.165   2.255
   67   1H5*    C   7          1H5*        C   7  16.227   6.175   5.223
   68   2H5*    C   7          2H5*        C   7  15.604   7.827   5.473
   69    H4*    C   7           H4*        C   7  15.068   6.743   3.232
   70    H3*    C   7           H3*        C   7  12.767   7.628   4.979
   71    H2*    C   7           H2*        C   7  11.335   7.183   3.094
   72   2HO*    C   7          2HO*        C   7  13.768   6.667   1.665
   73    H1*    C   7           H1*        C   7  12.554   4.768   2.570
   74   1H4     C   7          1H4         C   7   7.624   3.571   6.474
   75   2H4     C   7          2H4         C   7   8.698   3.695   7.850
   76    H5     C   7           H5         C   7  11.046   4.405   7.656
   77    H6     C   7           H6         C   7  12.753   5.124   6.102
   78   1H5*    A   8          1H5*        A   8  11.937   9.410   1.377
   79   2H5*    A   8          2H5*        A   8  11.345  11.077   1.610
   80    H4*    A   8           H4*        A   8   9.748   9.661   0.347
   81    H3*    A   8           H3*        A   8   8.835  10.559   3.091
   82    H2*    A   8           H2*        A   8   6.683   9.593   2.586
   83   2HO*    A   8          2HO*        A   8   6.376   8.606   0.509
   84    H1*    A   8           H1*        A   8   7.742   7.266   1.729
   85    H8     A   8           H8         A   8  10.259   7.983   4.275
   86   1H6     A   8          1H6         A   8   6.130   6.631   8.674
   87   2H6     A   8          2H6         A   8   7.823   6.906   8.332
   88    H2     A   8           H2         A   8   3.947   7.130   4.799
   89   1H5*    U   9          1H5*        U   9   5.922  10.963   0.998
   90   2H5*    U   9          2H5*        U   9   5.243  12.576   0.692
   91    H4*    U   9           H4*        U   9   3.476  10.974   1.173
   92    H3*    U   9           H3*        U   9   3.971  13.137   3.182
   93    H2*    U   9           H2*        U   9   2.531  12.202   4.716
   94   2HO*    U   9          2HO*        U   9   0.736  12.061   3.297
   95    H1*    U   9           H1*        U   9   2.780   9.481   4.029
   96    H3     U   9           H3         U   9   3.846  10.026   8.474
   97    H5     U   9           H5         U   9   7.345  10.858   6.304
   98    H6     U   9           H6         U   9   6.029  10.817   4.283
   99   1H5*    U  10          1H5*        U  10   0.494  16.497   2.428
  100   2H5*    U  10          2H5*        U  10   1.532  15.260   3.169
  101    H4*    U  10           H4*        U  10  -0.485  14.054   1.477
  102    H3*    U  10           H3*        U  10  -1.541  16.225   3.197
  103    H2*    U  10           H2*        U  10  -1.810  14.748   5.021
  104   2HO*    U  10          2HO*        U  10  -3.980  14.812   4.244
  105    H1*    U  10           H1*        U  10  -1.728  12.473   3.024
  106    H3     U  10           H3         U  10  -2.263   9.549   6.466
  107    H5     U  10           H5         U  10   0.988  11.936   7.642
  108    H6     U  10           H6         U  10   0.608  13.329   5.690
  109   1H5*    C  11          1H5*        C  11  -5.832  14.795   0.254
  110   2H5*    C  11          2H5*        C  11  -7.019  15.330   1.475
  111    H4*    C  11           H4*        C  11  -7.591  13.096   0.844
  112    H3*    C  11           H3*        C  11  -6.715  13.552   3.588
  113    H2*    C  11           H2*        C  11  -5.131  11.838   3.574
  114   2HO*    C  11          2HO*        C  11  -6.063   9.710   3.727
  115    H1*    C  11           H1*        C  11  -6.507  10.493   1.249
  116   1H4     C  11          1H4         C  11  -0.858   7.584   0.793
  117   2H4     C  11          2H4         C  11  -0.003   9.050   1.215
  118    H5     C  11           H5         C  11  -1.153  11.158   1.754
  119    H6     C  11           H6         C  11  -3.317  12.209   1.975
  120   1H5*    C  12          1H5*        C  12 -10.755  10.872   2.636
  121   2H5*    C  12          2H5*        C  12 -11.630  12.246   1.900
  122    H4*    C  12           H4*        C  12 -13.412  11.095   2.704
  123    H3*    C  12           H3*        C  12 -13.047  13.252   4.283
  124    H2*    C  12           H2*        C  12 -11.593  12.194   5.849
  125   2HO*    C  12          2HO*        C  12 -12.901  11.595   7.709
  126    H1*    C  12           H1*        C  12 -13.350   9.741   6.010
  127   1H4     C  12          1H4         C  12  -7.960   7.684   8.748
  128   2H4     C  12          2H4         C  12  -7.048   8.059   7.305
  129    H5     C  12           H5         C  12  -8.039   9.165   5.343
  130    H6     C  12           H6         C  12 -10.087  10.081   4.443
  131   1H5*    U  13          1H5*        U  13 -16.692  10.754   1.946
  132   2H5*    U  13          2H5*        U  13 -15.051  10.254   2.428
  133    H4*    U  13           H4*        U  13 -14.559  11.455   0.032
  134    H3*    U  13           H3*        U  13 -17.187  11.454  -0.328
  135    H2*    U  13           H2*        U  13 -17.459   9.239   0.585
  136   2HO*    U  13          2HO*        U  13 -17.422   8.990  -2.245
  137    H1*    U  13           H1*        U  13 -15.377   8.267  -1.372
  138    H3     U  13           H3         U  13 -14.883   4.170   0.728
  139    H5     U  13           H5         U  13 -16.935   6.611   3.522
  140    H6     U  13           H6         U  13 -16.715   8.398   2.021
  141   1H5*    C  14          1H5*        C  14 -12.524  12.288  -0.602
  142   2H5*    C  14          2H5*        C  14 -12.079  12.553  -2.309
  143    H4*    C  14           H4*        C  14 -10.260  11.308  -1.859
  144    H3*    C  14           H3*        C  14 -12.264   9.041  -1.608
  145    H2*    C  14           H2*        C  14 -10.412   7.647  -1.061
  146   2HO*    C  14          2HO*        C  14  -8.282   8.326  -1.442
  147    H1*    C  14           H1*        C  14  -9.090   9.705   0.350
  148   1H4     C  14          1H4         C  14 -11.305   6.056   5.026
  149   2H4     C  14          2H4         C  14 -12.960   6.265   4.496
  150    H5     C  14           H5         C  14 -13.568   7.574   2.491
  151    H6     C  14           H6         C  14 -12.664   8.876   0.661
  152   1H5*    A  15          1H5*        A  15  -8.755   8.173  -4.071
  153   2H5*    A  15          2H5*        A  15  -9.163   7.084  -5.419
  154    H4*    A  15           H4*        A  15  -7.159   6.300  -4.271
  155    H3*    A  15           H3*        A  15  -9.590   4.576  -3.755
  156    H2*    A  15           H2*        A  15  -8.176   3.049  -2.545
  157   2HO*    A  15          2HO*        A  15  -5.908   3.367  -2.542
  158    H1*    A  15           H1*        A  15  -6.877   5.042  -1.171
  159    H8     A  15           H8         A  15 -10.536   5.770  -1.897
  160   1H6     A  15          1H6         A  15 -11.662   2.963   3.562
  161   2H6     A  15          2H6         A  15 -12.389   3.876   2.258
  162    H2     A  15           H2         A  15  -7.299   2.514   2.519
  163   1H5*    C  16          1H5*        C  16  -6.534   2.134  -5.448
  164   2H5*    C  16          2H5*        C  16  -7.178   0.857  -6.514
  165    H4*    C  16           H4*        C  16  -5.699   0.063  -4.629
  166    H3*    C  16           H3*        C  16  -8.559  -0.918  -4.744
  167    H2*    C  16           H2*        C  16  -8.023  -2.403  -2.942
  168   2HO*    C  16          2HO*        C  16  -5.846  -2.580  -2.221
  169    H1*    C  16           H1*        C  16  -6.590  -0.480  -1.554
  170   1H4     C  16          1H4         C  16 -12.542  -0.454   0.791
  171   2H4     C  16          2H4         C  16 -12.931   0.884  -0.268
  172    H5     C  16           H5         C  16 -11.385   1.718  -1.985
  173    H6     C  16           H6         C  16  -9.211   1.404  -2.989
  174   1H5*    G  17          1H5*        G  17  -5.881  -4.180  -4.535
  175   2H5*    G  17          2H5*        G  17  -6.291  -5.427  -5.740
  176    H4*    G  17           H4*        G  17  -5.893  -6.451  -3.569
  177    H3*    G  17           H3*        G  17  -8.813  -6.404  -4.360
  178    H2*    G  17           H2*        G  17  -9.276  -7.746  -2.419
  179   2HO*    G  17          2HO*        G  17  -7.529  -8.503  -1.132
  180    H1*    G  17           H1*        G  17  -7.727  -6.187  -0.772
  181    H8     G  17           H8         G  17  -9.270  -3.878  -3.334
  182    H1     G  17           H1         G  17 -13.325  -5.521   1.336
  183   1H2     G  17          1H2         G  17 -12.479  -7.173   2.541
  184   2H2     G  17          2H2         G  17 -10.907  -7.861   2.199
  185   1H5*    G  18          1H5*        G  18  -8.006 -10.423  -3.629
  186   2H5*    G  18          2H5*        G  18  -8.796 -11.499  -4.812
  187    H4*    G  18           H4*        G  18  -9.393 -12.036  -2.465
  188    H3*    G  18           H3*        G  18 -11.655 -10.947  -4.161
  189    H2*    G  18           H2*        G  18 -13.127 -11.480  -2.346
  190   2HO*    G  18          2HO*        G  18 -12.334 -12.666  -0.545
  191    H1*    G  18           H1*        G  18 -11.341 -10.542  -0.420
  192    H8     G  18           H8         G  18 -11.226  -8.097  -3.273
  193    H1     G  18           H1         G  18 -16.491  -7.472   0.318
  194   1H2     G  18          1H2         G  18 -16.682  -9.192   1.696
  195   2H2     G  18          2H2         G  18 -15.516 -10.494   1.729
  196   1H5*    G  19          1H5*        G  19 -12.909 -14.463  -2.698
  197   2H5*    G  19          2H5*        G  19 -13.664 -15.577  -3.865
  198    H4*    G  19           H4*        G  19 -14.983 -15.095  -1.741
  199    H3*    G  19           H3*        G  19 -16.247 -14.439  -4.414
  200    H2*    G  19           H2*        G  19 -18.282 -14.022  -3.209
  201   2HO*    G  19          2HO*        G  19 -18.290 -14.418  -0.900
  202    H1*    G  19           H1*        G  19 -16.971 -12.614  -1.205
  203    H8     G  19           H8         G  19 -16.016 -12.319  -4.979
  204    H1     G  19           H1         G  19 -19.820  -7.680  -2.735
  205   1H2     G  19          1H2         G  19 -20.339  -8.069  -0.634
  206   2H2     G  19          2H2         G  19 -19.755  -9.472   0.232
  207   1H5*    U  20          1H5*        U  20 -17.695 -15.191  -6.695
  208   2H5*    U  20          2H5*        U  20 -18.301 -15.222  -5.017
  209    H4*    U  20           H4*        U  20 -19.586 -16.293  -7.525
  210    H3*    U  20           H3*        U  20 -20.483 -14.480  -5.282
  211    H2*    U  20           H2*        U  20 -22.737 -15.181  -5.613
  212   2HO*    U  20          2HO*        U  20 -22.672 -15.139  -7.949
  213    H1*    U  20           H1*        U  20 -22.098 -17.847  -6.065
  214    H3     U  20           H3         U  20 -23.889 -18.502  -2.021
  215    H5     U  20           H5         U  20 -20.790 -15.777  -1.211
  216    H6     U  20           H6         U  20 -20.327 -15.695  -3.599
  217   1H5*    G  21          1H5*        G  21 -21.924 -11.024  -5.327
  218   2H5*    G  21          2H5*        G  21 -21.140 -12.432  -4.560
  219    H4*    G  21           H4*        G  21 -24.107 -11.980  -4.314
  220    H3*    G  21           H3*        G  21 -21.942 -10.752  -2.602
  221    H2*    G  21           H2*        G  21 -23.394 -10.994  -0.722
  222   2HO*    G  21          2HO*        G  21 -25.373 -10.426  -1.794
  223    H1*    G  21           H1*        G  21 -24.178 -13.536  -1.399
  224    H8     G  21           H8         G  21 -20.506 -12.496  -2.005
  225    H1     G  21           H1         G  21 -21.601 -15.471   3.539
  226   1H2     G  21          1H2         G  21 -23.770 -15.817   3.808
  227   2H2     G  21          2H2         G  21 -24.946 -15.312   2.619
  228   1H5*    A  22          1H5*        A  22 -25.060  -6.435  -0.502
  229   2H5*    A  22          2H5*        A  22 -23.598  -7.357  -0.067
  230    H4*    A  22           H4*        A  22 -26.499  -8.152   0.317
  231    H3*    A  22           H3*        A  22 -24.187  -7.654   2.184
  232    H2*    A  22           H2*        A  22 -24.982  -9.340   3.689
  233   2HO*    A  22          2HO*        A  22 -27.262  -9.479   1.952
  234    H1*    A  22           H1*        A  22 -25.411 -11.175   1.752
  235    H8     A  22           H8         A  22 -22.569  -9.347   0.300
  236   1H6     A  22          1H6         A  22 -18.786 -12.316   4.135
  237   2H6     A  22          2H6         A  22 -18.888 -11.299   2.717
  238    H2     A  22           H2         A  22 -22.964 -13.024   5.507
  239   1H5*    C  23          1H5*        C  23 -23.570  -5.605   5.077
  240   2H5*    C  23          2H5*        C  23 -23.583  -6.224   3.413
  241    H4*    C  23           H4*        C  23 -22.882  -8.178   5.518
  242    H3*    C  23           H3*        C  23 -21.075  -5.847   4.849
  243    H2*    C  23           H2*        C  23 -19.199  -7.332   4.970
  244   2HO*    C  23          2HO*        C  23 -21.094  -9.308   5.822
  245    H1*    C  23           H1*        C  23 -20.388  -9.267   3.464
  246   1H4     C  23          1H4         C  23 -17.421  -5.403  -0.669
  247   2H4     C  23          2H4         C  23 -18.862  -4.418  -0.796
  248    H5     C  23           H5         C  23 -20.853  -4.779   0.600
  249    H6     C  23           H6         C  23 -21.813  -6.153   2.356
  250   1H5*    C  24          1H5*        C  24 -19.280  -7.951   7.930
  251   2H5*    C  24          2H5*        C  24 -18.446  -6.895   9.099
  252    H4*    C  24           H4*        C  24 -16.984  -8.641   8.033
  253    H3*    C  24           H3*        C  24 -16.283  -5.750   7.467
  254    H2*    C  24           H2*        C  24 -14.267  -6.570   6.456
  255   2HO*    C  24          2HO*        C  24 -13.722  -8.789   6.630
  256    H1*    C  24           H1*        C  24 -15.583  -8.688   5.194
  257   1H4     C  24          1H4         C  24 -15.080  -4.066   0.817
  258   2H4     C  24          2H4         C  24 -16.491  -3.264   1.470
  259    H5     C  24           H5         C  24 -17.639  -4.032   3.503
  260    H6     C  24           H6         C  24 -17.636  -5.693   5.254
  261   1H5*    G  25          1H5*        G  25 -12.859  -7.587   8.776
  262   2H5*    G  25          2H5*        G  25 -12.176  -6.707  10.166
  263    H4*    G  25           H4*        G  25 -10.423  -7.238   8.568
  264    H3*    G  25           H3*        G  25 -11.184  -4.309   8.535
  265    H2*    G  25           H2*        G  25  -9.323  -3.952   7.065
  266   2HO*    G  25          2HO*        G  25  -8.687  -6.708   7.534
  267    H1*    G  25           H1*        G  25  -9.902  -6.167   5.519
  268    H8     G  25           H8         G  25 -13.216  -4.655   6.474
  269    H1     G  25           H1         G  25 -10.243  -1.385   1.835
  270   1H2     G  25          1H2         G  25  -8.150  -2.069   1.643
  271   2H2     G  25          2H2         G  25  -7.486  -3.339   2.647
  272   1H5*    U  26          1H5*        U  26  -7.104  -4.489   9.054
  273   2H5*    U  26          2H5*        U  26  -6.478  -3.222  10.142
  274    H4*    U  26           H4*        U  26  -5.498  -3.278   7.796
  275    H3*    U  26           H3*        U  26  -6.884  -0.759   8.739
  276    H2*    U  26           H2*        U  26  -6.139   0.293   6.724
  277   2HO*    U  26          2HO*        U  26  -4.564  -0.676   5.418
  278    H1*    U  26           H1*        U  26  -6.555  -2.010   5.156
  279    H3     U  26           H3         U  26  -9.316   1.398   3.722
  280    H5     U  26           H5         U  26 -11.400  -0.566   6.819
  281    H6     U  26           H6         U  26  -9.371  -1.790   7.320
  282   1H5*    G  27          1H5*        G  27  -2.747  -0.415   7.586
  283   2H5*    G  27          2H5*        G  27  -1.834   0.926   8.325
  284    H4*    G  27           H4*        G  27  -2.067   0.600   5.683
  285    H3*    G  27           H3*        G  27  -1.116   2.709   7.210
  286    H2*    G  27           H2*        G  27  -3.160   3.863   7.356
  287   2HO*    G  27          2HO*        G  27  -1.765   5.309   6.278
  288    H1*    G  27           H1*        G  27  -3.820   3.181   4.492
  289    H8     G  27           H8         G  27  -5.551   2.572   7.884
  290    H1     G  27           H1         G  27  -8.755   6.320   3.816
  291   1H2     G  27          1H2         G  27  -7.535   6.699   2.017
  292   2H2     G  27          2H2         G  27  -5.939   6.017   1.807
  293   1H5*    G  28          1H5*        G  28  -1.539   3.928   2.034
  294   2H5*    G  28          2H5*        G  28  -1.632   2.413   1.102
  295    H4*    G  28           H4*        G  28  -0.429   3.908  -0.250
  296    H3*    G  28           H3*        G  28   1.398   2.034   1.238
  297    H2*    G  28           H2*        G  28   3.319   3.081   0.316
  298   2HO*    G  28          2HO*        G  28   3.088   4.707  -1.295
  299    H1*    G  28           H1*        G  28   2.510   5.607   0.761
  300    H8     G  28           H8         G  28   0.968   3.854   3.688
  301    H1     G  28           H1         G  28   7.322   4.445   4.227
  302   1H2     G  28          1H2         G  28   8.201   5.064   2.297
  303   2H2     G  28          2H2         G  28   7.221   5.334   0.874
  304   1H5*    U  29          1H5*        U  29   2.544   1.723  -2.926
  305   2H5*    U  29          2H5*        U  29   3.021   0.052  -3.337
  306    H4*    U  29           H4*        U  29   4.762   1.805  -3.811
  307    H3*    U  29           H3*        U  29   5.451  -0.330  -1.778
  308    H2*    U  29           H2*        U  29   7.649   0.556  -1.752
  309   2HO*    U  29          2HO*        U  29   8.348   2.022  -3.336
  310    H1*    U  29           H1*        U  29   6.787   3.212  -2.012
  311    H3     U  29           H3         U  29   9.037   2.435   2.031
  312    H5     U  29           H5         U  29   4.988   1.463   2.702
  313    H6     U  29           H6         U  29   4.612   1.678   0.334
  314   1H5*    C  30          1H5*        C  30   8.580  -0.193  -4.716
  315   2H5*    C  30          2H5*        C  30   9.408  -1.770  -4.804
  316    H4*    C  30           H4*        C  30  10.727   0.358  -4.020
  317    H3*    C  30           H3*        C  30  10.815  -2.299  -2.584
  318    H2*    C  30           H2*        C  30  12.386  -1.381  -1.046
  319   2HO*    C  30          2HO*        C  30  13.378   0.627  -1.448
  320    H1*    C  30           H1*        C  30  11.132   1.096  -0.877
  321   1H4     C  30          1H4         C  30   9.258  -2.483   4.131
  322   2H4     C  30          2H4         C  30   7.735  -2.721   3.311
  323    H5     C  30           H5         C  30   7.326  -1.988   1.013
  324    H6     C  30           H6         C  30   8.310  -0.910  -0.905
  325   1H5*    C  31          1H5*        C  31  14.781  -1.277  -2.780
  326   2H5*    C  31          2H5*        C  31  15.716  -2.581  -3.559
  327    H4*    C  31           H4*        C  31  16.799  -2.018  -1.483
  328    H3*    C  31           H3*        C  31  15.218  -4.591  -1.274
  329    H2*    C  31           H2*        C  31  16.084  -4.874   0.941
  330   2HO*    C  31          2HO*        C  31  17.686  -3.457   1.737
  331    H1*    C  31           H1*        C  31  15.645  -2.261   1.658
  332   1H4     C  31          1H4         C  31  10.328  -5.376   3.317
  333   2H4     C  31          2H4         C  31   9.658  -5.095   1.727
  334    H5     C  31           H5         C  31  10.940  -4.069  -0.095
  335    H6     C  31           H6         C  31  13.084  -3.135  -0.694
  336   1H5*    U  32          1H5*        U  32  18.389  -5.966   0.626
  337   2H5*    U  32          2H5*        U  32  19.165  -7.157  -0.447
  338    H4*    U  32           H4*        U  32  19.022  -8.244   1.624
  339    H3*    U  32           H3*        U  32  16.618  -9.059  -0.013
  340    H2*    U  32           H2*        U  32  16.042 -10.565   1.734
  341   2HO*    U  32          2HO*        U  32  17.456 -10.873   3.504
  342    H1*    U  32           H1*        U  32  16.457  -8.783   3.718
  343    H3     U  32           H3         U  32  11.998  -9.299   3.279
  344    H5     U  32           H5         U  32  13.006  -6.444   0.377
  345    H6     U  32           H6         U  32  15.366  -6.902   0.843
  346   1H5*    C  33          1H5*        C  33  18.452 -12.548   1.646
  347   2H5*    C  33          2H5*        C  33  18.230 -13.950   0.569
  348    H4*    C  33           H4*        C  33  17.341 -14.273   2.897
  349    H3*    C  33           H3*        C  33  15.310 -14.340   0.652
  350    H2*    C  33           H2*        C  33  13.719 -15.064   2.281
  351   2HO*    C  33          2HO*        C  33  15.951 -15.207   4.066
  352    H1*    C  33           H1*        C  33  14.528 -13.221   4.161
  353   1H4     C  33          1H4         C  33   9.670 -10.538   1.003
  354   2H4     C  33          2H4         C  33  10.771  -9.947  -0.224
  355    H5     C  33           H5         C  33  13.165 -10.523  -0.262
  356    H6     C  33           H6         C  33  14.895 -11.775   0.867
  357   1H5*    C  34          1H5*        C  34  14.812 -17.803   3.163
  358   2H5*    C  34          2H5*        C  34  14.382 -19.186   2.130
  359    H4*    C  34           H4*        C  34  12.788 -18.720   4.031
  360    H3*    C  34           H3*        C  34  11.721 -18.591   1.201
  361    H2*    C  34           H2*        C  34   9.531 -18.335   2.121
  362   2HO*    C  34          2HO*        C  34   9.239 -18.556   4.419
  363    H1*    C  34           H1*        C  34  10.366 -16.602   4.143
  364   1H4     C  34          1H4         C  34   8.128 -12.954  -0.605
  365   2H4     C  34          2H4         C  34   9.722 -12.910  -1.326
  366    H5     C  34           H5         C  34  11.613 -14.239  -0.476
  367    H6     C  34           H6         C  34  12.290 -15.829   1.211
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1   1.052 -13.250   1.906
    2   2H5*    G   1          2H5*        G   1   2.422 -13.157   0.800
    3    H4*    G   1           H4*        G   1   1.836 -15.468   2.665
    4    H3*    G   1           H3*        G   1   3.836 -13.205   2.879
    5    H2*    G   1           H2*        G   1   5.315 -14.712   3.994
    6   2HO*    G   1          2HO*        G   1   4.632 -16.740   4.670
    7    H1*    G   1           H1*        G   1   4.900 -16.757   2.233
    8    H8     G   1           H8         G   1   4.807 -13.617   0.179
    9    H1     G   1           H1         G   1  10.749 -15.270   1.864
   10   1H2     G   1          1H2         G   1  10.696 -16.852   3.405
   11   2H2     G   1          2H2         G   1   9.193 -17.509   4.013
   12   1H5*    G   2          1H5*        G   2   3.699 -14.847   6.944
   13   2H5*    G   2          2H5*        G   2   3.991 -13.483   8.059
   14    H4*    G   2           H4*        G   2   5.640 -15.453   8.137
   15    H3*    G   2           H3*        G   2   6.661 -12.640   7.669
   16    H2*    G   2           H2*        G   2   8.877 -13.519   7.840
   17   2HO*    G   2          2HO*        G   2   9.215 -15.674   8.522
   18    H1*    G   2           H1*        G   2   8.288 -15.798   6.354
   19    H8     G   2           H8         G   2   6.551 -13.217   4.387
   20    H1     G   2           H1         G   2  12.891 -12.525   3.963
   21   1H2     G   2          1H2         G   2  13.904 -13.714   5.528
   22   2H2     G   2          2H2         G   2  13.015 -14.694   6.673
   23   1H5*    A   3          1H5*        A   3   8.943 -13.932  11.328
   24   2H5*    A   3          2H5*        A   3   8.693 -12.547  12.426
   25    H4*    A   3           H4*        A   3  11.061 -13.115  12.320
   26    H3*    A   3           H3*        A   3  10.397 -10.564  10.830
   27    H2*    A   3           H2*        A   3  12.774 -10.233  10.559
   28   2HO*    A   3          2HO*        A   3  14.222 -11.750  11.520
   29    H1*    A   3           H1*        A   3  13.182 -12.800   9.714
   30    H8     A   3           H8         A   3   9.772 -11.939   8.414
   31   1H6     A   3          1H6         A   3  12.567  -8.837   3.856
   32   2H6     A   3          2H6         A   3  11.048  -9.479   4.436
   33    H2     A   3           H2         A   3  15.644  -9.902   6.946
   34   1H5*    G   4          1H5*        G   4  13.383  -9.392  13.508
   35   2H5*    G   4          2H5*        G   4  13.005  -7.824  14.268
   36    H4*    G   4           H4*        G   4  15.234  -7.823  13.218
   37    H3*    G   4           H3*        G   4  13.192  -6.082  11.811
   38    H2*    G   4           H2*        G   4  14.986  -5.280  10.426
   39   2HO*    G   4          2HO*        G   4  16.651  -5.236  12.035
   40    H1*    G   4           H1*        G   4  15.945  -7.793   9.938
   41    H8     G   4           H8         G   4  12.254  -8.289  10.210
   42    H1     G   4           H1         G   4  13.945  -5.463   4.735
   43   1H2     G   4          1H2         G   4  16.051  -4.798   4.835
   44   2H2     G   4          2H2         G   4  17.044  -5.068   6.248
   45   1H5*    G   5          1H5*        G   5  16.366  -3.179  12.483
   46   2H5*    G   5          2H5*        G   5  15.534  -1.714  13.069
   47    H4*    G   5           H4*        G   5  16.998  -1.351  11.058
   48    H3*    G   5           H3*        G   5  14.031  -0.831  10.730
   49    H2*    G   5           H2*        G   5  14.517   0.037   8.544
   50   2HO*    G   5          2HO*        G   5  16.724   0.206   7.869
   51    H1*    G   5           H1*        G   5  16.189  -2.045   7.897
   52    H8     G   5           H8         G   5  13.554  -3.718   9.937
   53    H1     G   5           H1         G   5  11.396  -2.016   4.161
   54   1H2     G   5          1H2         G   5  12.833  -0.655   3.170
   55   2H2     G   5          2H2         G   5  14.323  -0.159   3.942
   56   1H5*    A   6          1H5*        A   6  16.277   2.765   9.455
   57   2H5*    A   6          2H5*        A   6  15.265   4.195   9.800
   58    H4*    A   6           H4*        A   6  16.088   3.800   7.367
   59    H3*    A   6           H3*        A   6  13.163   4.289   7.984
   60    H2*    A   6           H2*        A   6  12.782   4.362   5.626
   61   2HO*    A   6          2HO*        A   6  14.550   4.346   4.174
   62    H1*    A   6           H1*        A   6  14.431   2.210   5.103
   63    H8     A   6           H8         A   6  12.500   1.394   8.238
   64   1H6     A   6          1H6         A   6   7.802  -0.234   4.571
   65   2H6     A   6          2H6         A   6   8.426  -0.261   6.204
   66    H2     A   6           H2         A   6  10.886   1.843   2.060
   67   1H5*    C   7          1H5*        C   7  14.328   6.849   4.829
   68   2H5*    C   7          2H5*        C   7  13.422   8.382   4.887
   69    H4*    C   7           H4*        C   7  13.184   6.986   2.760
   70    H3*    C   7           H3*        C   7  10.713   7.714   4.335
   71    H2*    C   7           H2*        C   7   9.409   6.798   2.547
   72   2HO*    C   7          2HO*        C   7  10.618   7.597   0.770
   73    H1*    C   7           H1*        C   7  11.117   4.621   2.193
   74   1H4     C   7          1H4         C   7   6.285   2.617   5.866
   75   2H4     C   7          2H4         C   7   7.191   3.070   7.294
   76    H5     C   7           H5         C   7   9.336   4.272   7.193
   77    H6     C   7           H6         C   7  10.970   5.247   5.697
   78   1H5*    A   8          1H5*        A   8   8.366  10.688   0.334
   79   2H5*    A   8          2H5*        A   8   7.575  10.166   1.847
   80    H4*    A   8           H4*        A   8   7.583   8.902  -0.858
   81    H3*    A   8           H3*        A   8   5.585   9.288   1.366
   82    H2*    A   8           H2*        A   8   4.397   7.306   0.725
   83   2HO*    A   8          2HO*        A   8   5.115   6.123  -1.141
   84    H1*    A   8           H1*        A   8   6.548   5.742   0.584
   85    H8     A   8           H8         A   8   7.914   8.010   3.106
   86   1H6     A   8          1H6         A   8   4.100   5.525   7.306
   87   2H6     A   8          2H6         A   8   5.508   6.534   7.070
   88    H2     A   8           H2         A   8   2.744   4.255   3.227
   89   1H5*    U   9          1H5*        U   9   3.514   8.064  -1.220
   90   2H5*    U   9          2H5*        U   9   2.236   9.030  -1.992
   91    H4*    U   9           H4*        U   9   1.442   6.799  -1.385
   92    H3*    U   9           H3*        U   9   0.200   9.211  -0.303
   93    H2*    U   9           H2*        U   9  -0.371   8.354   1.759
   94   2HO*    U   9          2HO*        U   9  -1.326   6.140   0.287
   95    H1*    U   9           H1*        U   9   0.713   5.688   1.557
   96    H3     U   9           H3         U   9   0.892   6.769   5.989
   97    H5     U   9           H5         U   9   3.836   9.142   4.140
   98    H6     U   9           H6         U   9   3.017   8.395   2.012
   99   1H5*    U  10          1H5*        U  10  -2.026   9.295   1.055
  100   2H5*    U  10          2H5*        U  10  -3.499   9.989   0.337
  101    H4*    U  10           H4*        U  10  -2.531  12.172   0.316
  102    H3*    U  10           H3*        U  10  -0.018  11.178   0.108
  103    H2*    U  10           H2*        U  10  -0.032  10.276   2.319
  104   2HO*    U  10          2HO*        U  10   1.144  12.849   2.395
  105    H1*    U  10           H1*        U  10  -1.204  12.947   3.158
  106    H3     U  10           H3         U  10  -2.551  11.755   7.427
  107    H5     U  10           H5         U  10  -0.394   8.426   5.986
  108    H6     U  10           H6         U  10  -0.311   9.503   3.833
  109   1H5*    C  11          1H5*        C  11  -2.639  15.650   1.448
  110   2H5*    C  11          2H5*        C  11  -2.214  13.989   1.929
  111    H4*    C  11           H4*        C  11  -4.904  15.093   1.114
  112    H3*    C  11           H3*        C  11  -3.799  14.190   3.677
  113    H2*    C  11           H2*        C  11  -4.619  12.032   3.475
  114   2HO*    C  11          2HO*        C  11  -6.276  13.060   4.783
  115    H1*    C  11           H1*        C  11  -6.629  12.920   1.403
  116   1H4     C  11          1H4         C  11  -6.384   6.869  -0.673
  117   2H4     C  11          2H4         C  11  -5.470   6.404   0.742
  118    H5     C  11           H5         C  11  -4.670   8.023   2.408
  119    H6     C  11           H6         C  11  -4.612  10.359   2.985
  120   1H5*    C  12          1H5*        C  12  -8.192  14.275   4.056
  121   2H5*    C  12          2H5*        C  12  -8.459  15.942   4.646
  122    H4*    C  12           H4*        C  12 -10.239  14.622   5.448
  123    H3*    C  12           H3*        C  12  -8.613  15.875   7.363
  124    H2*    C  12           H2*        C  12  -7.597  13.850   8.101
  125   2HO*    C  12          2HO*        C  12  -8.999  12.943   9.840
  126    H1*    C  12           H1*        C  12 -10.239  12.409   7.659
  127   1H4     C  12          1H4         C  12  -6.366   7.492   8.998
  128   2H4     C  12          2H4         C  12  -5.489   7.784   7.514
  129    H5     C  12           H5         C  12  -5.931   9.723   6.063
  130    H6     C  12           H6         C  12  -7.287  11.690   5.799
  131   1H5*    U  13          1H5*        U  13 -14.248  14.565   6.713
  132   2H5*    U  13          2H5*        U  13 -12.733  14.152   7.554
  133    H4*    U  13           H4*        U  13 -12.035  14.981   4.944
  134    H3*    U  13           H3*        U  13 -14.628  13.953   4.679
  135    H2*    U  13           H2*        U  13 -14.115  11.822   5.545
  136   2HO*    U  13          2HO*        U  13 -14.773  11.479   3.354
  137    H1*    U  13           H1*        U  13 -11.456  11.887   4.120
  138    H3     U  13           H3         U  13  -9.517   8.462   6.423
  139    H5     U  13           H5         U  13 -13.115   9.213   8.471
  140    H6     U  13           H6         U  13 -13.481  11.072   7.045
  141   1H5*    C  14          1H5*        C  14 -12.871  12.547  -0.107
  142   2H5*    C  14          2H5*        C  14 -12.750  12.067   1.604
  143    H4*    C  14           H4*        C  14 -10.359  12.012  -0.243
  144    H3*    C  14           H3*        C  14 -12.345   9.772   0.263
  145    H2*    C  14           H2*        C  14 -10.523   8.246   0.011
  146   2HO*    C  14          2HO*        C  14  -8.848  10.446  -0.684
  147    H1*    C  14           H1*        C  14  -8.744   9.870   1.427
  148   1H4     C  14          1H4         C  14 -10.744   5.549   5.649
  149   2H4     C  14          2H4         C  14 -12.242   6.427   5.882
  150    H5     C  14           H5         C  14 -12.855   8.415   4.562
  151    H6     C  14           H6         C  14 -12.112   9.881   2.795
  152   1H5*    A  15          1H5*        A  15  -9.834   8.856  -3.088
  153   2H5*    A  15          2H5*        A  15 -10.636   7.779  -4.254
  154    H4*    A  15           H4*        A  15  -8.431   6.961  -3.265
  155    H3*    A  15           H3*        A  15 -10.926   5.277  -2.974
  156    H2*    A  15           H2*        A  15  -9.581   3.559  -1.960
  157   2HO*    A  15          2HO*        A  15  -7.294   3.805  -1.899
  158    H1*    A  15           H1*        A  15  -8.203   5.310  -0.358
  159    H8     A  15           H8         A  15 -11.830   6.272  -0.940
  160   1H6     A  15          1H6         A  15 -13.020   2.781   4.107
  161   2H6     A  15          2H6         A  15 -13.726   3.889   2.950
  162    H2     A  15           H2         A  15  -8.676   2.338   2.945
  163   1H5*    C  16          1H5*        C  16  -7.860   2.923  -4.797
  164   2H5*    C  16          2H5*        C  16  -8.509   1.677  -5.898
  165    H4*    C  16           H4*        C  16  -7.089   0.796  -4.016
  166    H3*    C  16           H3*        C  16  -9.986  -0.078  -4.129
  167    H2*    C  16           H2*        C  16  -9.507  -1.584  -2.324
  168   2HO*    C  16          2HO*        C  16  -7.344  -1.861  -1.611
  169    H1*    C  16           H1*        C  16  -8.000   0.279  -0.935
  170   1H4     C  16          1H4         C  16 -13.874   0.693   1.513
  171   2H4     C  16          2H4         C  16 -14.335   1.818   0.254
  172    H5     C  16           H5         C  16 -12.863   2.392  -1.621
  173    H6     C  16           H6         C  16 -10.701   1.992  -2.615
  174   1H5*    G  17          1H5*        G  17  -7.358  -3.437  -4.018
  175   2H5*    G  17          2H5*        G  17  -7.879  -4.728  -5.132
  176    H4*    G  17           H4*        G  17  -7.358  -5.540  -2.836
  177    H3*    G  17           H3*        G  17 -10.222  -5.800  -3.772
  178    H2*    G  17           H2*        G  17 -10.721  -6.983  -1.738
  179   2HO*    G  17          2HO*        G  17  -7.894  -6.839  -1.260
  180    H1*    G  17           H1*        G  17  -9.422  -5.180  -0.147
  181    H8     G  17           H8         G  17 -10.765  -2.983  -2.830
  182    H1     G  17           H1         G  17 -15.388  -5.078   1.059
  183   1H2     G  17          1H2         G  17 -14.641  -6.733   2.317
  184   2H2     G  17          2H2         G  17 -12.996  -7.320   2.208
  185   1H5*    G  18          1H5*        G  18  -9.238  -9.541  -2.367
  186   2H5*    G  18          2H5*        G  18  -9.826 -10.844  -3.433
  187    H4*    G  18           H4*        G  18 -10.594 -11.025  -1.052
  188    H3*    G  18           H3*        G  18 -12.720 -10.615  -3.166
  189    H2*    G  18           H2*        G  18 -14.364 -10.953  -1.463
  190   2HO*    G  18          2HO*        G  18 -13.171 -12.697  -0.395
  191    H1*    G  18           H1*        G  18 -12.986  -9.430   0.416
  192    H8     G  18           H8         G  18 -12.625  -7.487  -2.739
  193    H1     G  18           H1         G  18 -18.558  -7.128  -0.356
  194   1H2     G  18          1H2         G  18 -18.840  -8.652   1.220
  195   2H2     G  18          2H2         G  18 -17.568  -9.757   1.687
  196   1H5*    G  19          1H5*        G  19 -15.044 -12.102  -5.342
  197   2H5*    G  19          2H5*        G  19 -14.452 -11.325  -3.853
  198    H4*    G  19           H4*        G  19 -16.048 -13.322  -2.863
  199    H3*    G  19           H3*        G  19 -17.326 -12.291  -5.405
  200    H2*    G  19           H2*        G  19 -19.452 -12.368  -4.288
  201   2HO*    G  19          2HO*        G  19 -19.522 -13.157  -2.101
  202    H1*    G  19           H1*        G  19 -18.528 -11.087  -2.077
  203    H8     G  19           H8         G  19 -16.928 -10.250  -5.510
  204    H1     G  19           H1         G  19 -21.674  -6.371  -3.705
  205   1H2     G  19          1H2         G  19 -22.568  -7.080  -1.827
  206   2H2     G  19          2H2         G  19 -21.997  -8.512  -1.003
  207   1H5*    U  20          1H5*        U  20 -18.869 -13.072  -8.148
  208   2H5*    U  20          2H5*        U  20 -19.003 -13.122  -6.375
  209    H4*    U  20           H4*        U  20 -20.766 -14.338  -8.462
  210    H3*    U  20           H3*        U  20 -21.219 -13.070  -5.750
  211    H2*    U  20           H2*        U  20 -23.331 -14.159  -5.664
  212   2HO*    U  20          2HO*        U  20 -23.884 -13.692  -7.906
  213    H1*    U  20           H1*        U  20 -22.388 -16.513  -6.886
  214    H3     U  20           H3         U  20 -22.427 -18.686  -2.980
  215    H5     U  20           H5         U  20 -21.061 -14.863  -1.876
  216    H6     U  20           H6         U  20 -21.166 -14.222  -4.208
  217   1H5*    G  21          1H5*        G  21 -24.450 -11.152  -7.102
  218   2H5*    G  21          2H5*        G  21 -24.414  -9.418  -6.693
  219    H4*    G  21           H4*        G  21 -26.245 -10.711  -5.566
  220    H3*    G  21           H3*        G  21 -24.146  -9.411  -3.824
  221    H2*    G  21           H2*        G  21 -25.397 -10.101  -1.908
  222   2HO*    G  21          2HO*        G  21 -27.510  -9.694  -2.673
  223    H1*    G  21           H1*        G  21 -25.908 -12.613  -2.855
  224    H8     G  21           H8         G  21 -22.418 -11.126  -3.626
  225    H1     G  21           H1         G  21 -22.736 -14.660   1.687
  226   1H2     G  21          1H2         G  21 -24.825 -15.251   2.094
  227   2H2     G  21          2H2         G  21 -26.148 -14.771   1.057
  228   1H5*    A  22          1H5*        A  22 -27.934  -7.346  -2.629
  229   2H5*    A  22          2H5*        A  22 -27.512  -5.882  -1.700
  230    H4*    A  22           H4*        A  22 -28.716  -7.728  -0.423
  231    H3*    A  22           H3*        A  22 -25.989  -6.842   0.541
  232    H2*    A  22           H2*        A  22 -26.400  -8.188   2.502
  233   2HO*    A  22          2HO*        A  22 -28.715  -7.730   2.611
  234    H1*    A  22           H1*        A  22 -27.242 -10.320   0.986
  235    H8     A  22           H8         A  22 -24.573  -8.612  -1.030
  236   1H6     A  22          1H6         A  22 -20.359 -11.533   2.380
  237   2H6     A  22          2H6         A  22 -20.634 -10.560   0.953
  238    H2     A  22           H2         A  22 -24.331 -12.118   4.313
  239   1H5*    C  23          1H5*        C  23 -26.897  -6.094   3.388
  240   2H5*    C  23          2H5*        C  23 -26.077  -4.833   4.339
  241    H4*    C  23           H4*        C  23 -25.173  -7.282   4.372
  242    H3*    C  23           H3*        C  23 -23.370  -4.905   3.873
  243    H2*    C  23           H2*        C  23 -21.521  -6.429   3.990
  244   2HO*    C  23          2HO*        C  23 -21.845  -8.585   4.630
  245    H1*    C  23           H1*        C  23 -22.787  -8.343   2.439
  246   1H4     C  23          1H4         C  23 -19.213  -4.812  -1.508
  247   2H4     C  23          2H4         C  23 -20.575  -3.744  -1.780
  248    H5     C  23           H5         C  23 -22.688  -3.933  -0.536
  249    H6     C  23           H6         C  23 -23.872  -5.187   1.164
  250   1H5*    C  24          1H5*        C  24 -21.845  -7.162   7.095
  251   2H5*    C  24          2H5*        C  24 -20.986  -6.161   8.296
  252    H4*    C  24           H4*        C  24 -19.614  -8.019   7.299
  253    H3*    C  24           H3*        C  24 -18.678  -5.186   6.774
  254    H2*    C  24           H2*        C  24 -16.684  -6.154   5.849
  255   2HO*    C  24          2HO*        C  24 -16.365  -8.433   5.985
  256    H1*    C  24           H1*        C  24 -18.091  -8.117   4.474
  257   1H4     C  24          1H4         C  24 -17.137  -3.360   0.323
  258   2H4     C  24          2H4         C  24 -18.569  -2.542   0.909
  259    H5     C  24           H5         C  24 -19.866  -3.344   2.832
  260    H6     C  24           H6         C  24 -20.023  -5.062   4.516
  261   1H5*    G  25          1H5*        G  25 -15.632  -7.499   8.437
  262   2H5*    G  25          2H5*        G  25 -14.600  -6.608   9.582
  263    H4*    G  25           H4*        G  25 -13.369  -7.807   7.738
  264    H3*    G  25           H3*        G  25 -13.116  -4.800   7.919
  265    H2*    G  25           H2*        G  25 -11.471  -4.915   6.180
  266   2HO*    G  25          2HO*        G  25 -10.782  -6.973   5.404
  267    H1*    G  25           H1*        G  25 -12.951  -6.634   4.633
  268    H8     G  25           H8         G  25 -15.603  -4.480   6.094
  269    H1     G  25           H1         G  25 -12.099  -1.299   1.778
  270   1H2     G  25          1H2         G  25 -10.263  -2.432   1.302
  271   2H2     G  25          2H2         G  25  -9.904  -3.980   2.031
  272   1H5*    U  26          1H5*        U  26  -9.290  -6.079   7.706
  273   2H5*    U  26          2H5*        U  26  -8.195  -5.198   8.806
  274    H4*    U  26           H4*        U  26  -7.593  -5.113   6.347
  275    H3*    U  26           H3*        U  26  -8.149  -2.514   7.794
  276    H2*    U  26           H2*        U  26  -7.460  -1.360   5.816
  277   2HO*    U  26          2HO*        U  26  -6.627  -3.915   4.818
  278    H1*    U  26           H1*        U  26  -8.701  -3.181   4.088
  279    H3     U  26           H3         U  26 -10.659   1.012   3.845
  280    H5     U  26           H5         U  26 -12.763  -1.128   6.807
  281    H6     U  26           H6         U  26 -11.047  -2.833   6.701
  282   1H5*    G  27          1H5*        G  27  -4.271  -3.065   5.956
  283   2H5*    G  27          2H5*        G  27  -2.933  -2.093   6.622
  284    H4*    G  27           H4*        G  27  -3.712  -2.055   4.028
  285    H3*    G  27           H3*        G  27  -1.827  -0.608   5.428
  286    H2*    G  27           H2*        G  27  -3.306   1.107   6.115
  287   2HO*    G  27          2HO*        G  27  -2.477   1.958   3.534
  288    H1*    G  27           H1*        G  27  -4.634   1.097   3.394
  289    H8     G  27           H8         G  27  -5.846   0.602   7.032
  290    H1     G  27           H1         G  27  -8.306   5.688   4.039
  291   1H2     G  27          1H2         G  27  -7.381   5.924   2.050
  292   2H2     G  27          2H2         G  27  -6.167   4.816   1.446
  293   1H5*    G  28          1H5*        G  28  -2.099  -0.030   0.447
  294   2H5*    G  28          2H5*        G  28  -1.758  -1.627  -0.260
  295    H4*    G  28           H4*        G  28  -0.701  -0.064  -1.671
  296    H3*    G  28           H3*        G  28   1.274  -1.292   0.253
  297    H2*    G  28           H2*        G  28   3.022   0.000  -0.723
  298   2HO*    G  28          2HO*        G  28   2.612   1.286  -2.573
  299    H1*    G  28           H1*        G  28   1.659   2.317  -0.704
  300    H8     G  28           H8         G  28   0.350   0.540   2.344
  301    H1     G  28           H1         G  28   6.227   2.939   3.177
  302   1H2     G  28          1H2         G  28   7.065   3.604   1.244
  303   2H2     G  28          2H2         G  28   6.180   3.452  -0.257
  304   1H5*    U  29          1H5*        U  29   2.969  -2.133  -3.876
  305   2H5*    U  29          2H5*        U  29   4.047  -3.545  -3.700
  306    H4*    U  29           H4*        U  29   5.047  -1.284  -4.503
  307    H3*    U  29           H3*        U  29   6.260  -2.820  -2.194
  308    H2*    U  29           H2*        U  29   8.015  -1.217  -2.187
  309   2HO*    U  29          2HO*        U  29   8.256   0.267  -3.895
  310    H1*    U  29           H1*        U  29   6.314   0.934  -2.745
  311    H3     U  29           H3         U  29   8.330   1.187   1.505
  312    H5     U  29           H5         U  29   4.724  -0.947   1.979
  313    H6     U  29           H6         U  29   4.536  -1.036  -0.417
  314   1H5*    C  30          1H5*        C  30   9.426  -1.882  -4.894
  315   2H5*    C  30          2H5*        C  30  10.726  -3.095  -4.754
  316    H4*    C  30           H4*        C  30  11.210  -0.604  -4.111
  317    H3*    C  30           H3*        C  30  11.975  -2.959  -2.381
  318    H2*    C  30           H2*        C  30  12.980  -1.461  -0.825
  319   2HO*    C  30          2HO*        C  30  12.605   0.543  -2.835
  320    H1*    C  30           H1*        C  30  10.996   0.472  -1.025
  321   1H4     C  30          1H4         C  30   9.760  -3.181   4.129
  322   2H4     C  30          2H4         C  30   8.488  -3.941   3.203
  323    H5     C  30           H5         C  30   8.145  -3.532   0.817
  324    H6     C  30           H6         C  30   8.963  -2.327  -1.101
  325   1H5*    C  31          1H5*        C  31  15.431  -0.735  -2.245
  326   2H5*    C  31          2H5*        C  31  16.762  -1.724  -2.903
  327    H4*    C  31           H4*        C  31  17.503  -0.830  -0.808
  328    H3*    C  31           H3*        C  31  16.650  -3.720  -0.527
  329    H2*    C  31           H2*        C  31  17.387  -3.661   1.752
  330   2HO*    C  31          2HO*        C  31  18.420  -1.735   2.543
  331    H1*    C  31           H1*        C  31  16.206  -1.246   2.279
  332   1H4     C  31          1H4         C  31  11.803  -5.639   3.711
  333   2H4     C  31          2H4         C  31  11.207  -5.586   2.069
  334    H5     C  31           H5         C  31  12.309  -4.297   0.297
  335    H6     C  31           H6         C  31  14.167  -2.837  -0.194
  336   1H5*    U  32          1H5*        U  32  19.890  -4.097   1.647
  337   2H5*    U  32          2H5*        U  32  21.044  -5.091   0.725
  338    H4*    U  32           H4*        U  32  21.005  -6.056   2.866
  339    H3*    U  32           H3*        U  32  19.070  -7.589   1.121
  340    H2*    U  32           H2*        U  32  18.775  -9.103   2.936
  341   2HO*    U  32          2HO*        U  32  20.055  -8.918   4.813
  342    H1*    U  32           H1*        U  32  18.491  -7.161   4.791
  343    H3     U  32           H3         U  32  14.427  -8.971   4.015
  344    H5     U  32           H5         U  32  14.852  -6.032   1.057
  345    H6     U  32           H6         U  32  17.196  -5.781   1.734
  346   1H5*    C  33          1H5*        C  33  21.562 -10.375   3.169
  347   2H5*    C  33          2H5*        C  33  21.843 -11.816   2.160
  348    H4*    C  33           H4*        C  33  20.825 -12.305   4.403
  349    H3*    C  33           H3*        C  33  19.132 -12.974   1.981
  350    H2*    C  33           H2*        C  33  17.630 -14.057   3.490
  351   2HO*    C  33          2HO*        C  33  18.176 -14.280   5.700
  352    H1*    C  33           H1*        C  33  17.721 -12.014   5.336
  353   1H4     C  33          1H4         C  33  12.683 -10.846   1.586
  354   2H4     C  33          2H4         C  33  13.707  -9.997   0.448
  355    H5     C  33           H5         C  33  16.159  -9.889   0.677
  356    H6     C  33           H6         C  33  18.032 -10.593   2.032
  357   1H5*    C  34          1H5*        C  34  19.323 -16.378   4.622
  358   2H5*    C  34          2H5*        C  34  19.375 -17.852   3.629
  359    H4*    C  34           H4*        C  34  17.536 -17.774   5.361
  360    H3*    C  34           H3*        C  34  16.757 -18.028   2.445
  361    H2*    C  34           H2*        C  34  14.499 -18.348   3.159
  362   2HO*    C  34          2HO*        C  34  14.036 -18.615   5.400
  363    H1*    C  34           H1*        C  34  14.638 -16.387   5.138
  364   1H4     C  34          1H4         C  34  11.992 -13.648   0.004
  365   2H4     C  34          2H4         C  34  13.580 -13.188  -0.572
  366    H5     C  34           H5         C  34  15.661 -13.920   0.519
  367    H6     C  34           H6         C  34  16.567 -15.209   2.350
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1  -0.575  -6.408   2.578
    2   2H5*    G   1          2H5*        G   1   0.733  -6.586   1.409
    3    H4*    G   1           H4*        G   1  -0.714  -8.870   2.771
    4    H3*    G   1           H3*        G   1   2.001  -7.643   3.305
    5    H2*    G   1           H2*        G   1   2.778  -9.810   3.943
    6   2HO*    G   1          2HO*        G   1   1.376 -11.510   4.274
    7    H1*    G   1           H1*        G   1   1.616 -11.082   1.824
    8    H8     G   1           H8         G   1   2.737  -7.801   0.436
    9    H1     G   1           H1         G   1   7.626 -11.799   1.429
   10   1H2     G   1          1H2         G   1   6.974 -13.520   2.652
   11   2H2     G   1          2H2         G   1   5.326 -13.691   3.215
   12   1H5*    G   2          1H5*        G   2   1.300 -10.088   6.706
   13   2H5*    G   2          2H5*        G   2   1.907  -9.253   8.161
   14    H4*    G   2           H4*        G   2   2.890 -11.548   7.714
   15    H3*    G   2           H3*        G   2   4.769  -9.175   7.806
   16    H2*    G   2           H2*        G   2   6.579 -10.726   7.667
   17   2HO*    G   2          2HO*        G   2   6.205 -12.968   7.894
   18    H1*    G   2           H1*        G   2   5.280 -12.356   5.801
   19    H8     G   2           H8         G   2   4.592  -9.040   4.395
   20    H1     G   2           H1         G   2  10.815 -10.442   3.950
   21   1H2     G   2          1H2         G   2  11.308 -12.164   5.246
   22   2H2     G   2          2H2         G   2  10.101 -12.978   6.216
   23   1H5*    A   3          1H5*        A   3   6.506 -11.791  10.959
   24   2H5*    A   3          2H5*        A   3   6.475 -10.711  12.380
   25    H4*    A   3           H4*        A   3   8.655 -11.658  12.322
   26    H3*    A   3           H3*        A   3   8.740  -8.911  11.049
   27    H2*    A   3           H2*        A   3  11.146  -9.145  10.990
   28   2HO*    A   3          2HO*        A   3  12.149 -10.880  11.990
   29    H1*    A   3           H1*        A   3  11.003 -11.650   9.896
   30    H8     A   3           H8         A   3   8.021  -9.808   8.536
   31   1H6     A   3          1H6         A   3  11.863  -7.194   4.464
   32   2H6     A   3          2H6         A   3  10.188  -7.440   4.902
   33    H2     A   3           H2         A   3  14.317  -9.335   7.542
   34   1H5*    G   4          1H5*        G   4  11.654  -8.566  13.969
   35   2H5*    G   4          2H5*        G   4  11.480  -7.039  14.874
   36    H4*    G   4           H4*        G   4  13.750  -7.271  14.004
   37    H3*    G   4           H3*        G   4  12.143  -5.187  12.498
   38    H2*    G   4           H2*        G   4  14.210  -4.585  11.413
   39   2HO*    G   4          2HO*        G   4  15.617  -4.919  13.241
   40    H1*    G   4           H1*        G   4  14.818  -7.199  10.856
   41    H8     G   4           H8         G   4  11.100  -7.099  10.639
   42    H1     G   4           H1         G   4  13.929  -4.237   5.675
   43   1H2     G   4          1H2         G   4  16.078  -3.933   6.095
   44   2H2     G   4          2H2         G   4  16.814  -4.452   7.592
   45   1H5*    G   5          1H5*        G   5  15.439  -2.462  13.722
   46   2H5*    G   5          2H5*        G   5  14.510  -1.040  14.263
   47    H4*    G   5           H4*        G   5  16.225  -0.593  12.457
   48    H3*    G   5           H3*        G   5  13.322  -0.017  11.794
   49    H2*    G   5           H2*        G   5  14.116   1.005   9.771
   50   2HO*    G   5          2HO*        G   5  16.371   1.246   9.431
   51    H1*    G   5           H1*        G   5  15.878  -1.055   9.241
   52    H8     G   5           H8         G   5  12.890  -2.776  10.675
   53    H1     G   5           H1         G   5  11.855  -0.647   4.725
   54   1H2     G   5          1H2         G   5  13.478   0.732   4.114
   55   2H2     G   5          2H2         G   5  14.812   1.123   5.174
   56   1H5*    A   6          1H5*        A   6  15.585   3.935  11.091
   57   2H5*    A   6          2H5*        A   6  14.307   5.152  11.356
   58    H4*    A   6           H4*        A   6  15.530   5.056   9.048
   59    H3*    A   6           H3*        A   6  12.507   5.114   9.256
   60    H2*    A   6           H2*        A   6  12.454   5.315   6.875
   61   2HO*    A   6          2HO*        A   6  14.465   5.571   5.725
   62    H1*    A   6           H1*        A   6  14.474   3.459   6.484
   63    H8     A   6           H8         A   6  12.342   1.952   9.153
   64   1H6     A   6          1H6         A   6   8.316   0.369   4.744
   65   2H6     A   6          2H6         A   6   8.772   0.153   6.416
   66    H2     A   6           H2         A   6  11.285   3.246   2.983
   67   1H5*    C   7          1H5*        C   7  13.735   8.176   6.465
   68   2H5*    C   7          2H5*        C   7  12.559   9.515   6.523
   69    H4*    C   7           H4*        C   7  12.897   8.328   4.269
   70    H3*    C   7           H3*        C   7  10.128   8.518   5.462
   71    H2*    C   7           H2*        C   7   9.288   7.626   3.402
   72   2HO*    C   7          2HO*        C   7  10.660   7.407   1.600
   73    H1*    C   7           H1*        C   7  11.344   5.764   3.188
   74   1H4     C   7          1H4         C   7   6.349   2.764   5.823
   75   2H4     C   7          2H4         C   7   6.980   3.139   7.413
   76    H5     C   7           H5         C   7   8.934   4.594   7.769
   77    H6     C   7           H6         C   7  10.608   5.937   6.650
   78   1H5*    A   8          1H5*        A   8   8.049  11.590   1.376
   79   2H5*    A   8          2H5*        A   8   7.055  10.879   2.676
   80    H4*    A   8           H4*        A   8   7.558   9.927  -0.082
   81    H3*    A   8           H3*        A   8   5.340   9.670   1.945
   82    H2*    A   8           H2*        A   8   4.562   7.649   0.915
   83   2HO*    A   8          2HO*        A   8   5.565   6.898  -1.013
   84    H1*    A   8           H1*        A   8   6.957   6.477   0.784
   85    H8     A   8           H8         A   8   7.596   8.565   3.746
   86   1H6     A   8          1H6         A   8   4.072   4.709   7.075
   87   2H6     A   8          2H6         A   8   5.234   6.014   7.152
   88    H2     A   8           H2         A   8   3.405   3.846   2.725
   89   1H5*    U   9          1H5*        U   9   3.773   8.667  -1.163
   90   2H5*    U   9          2H5*        U   9   2.390   9.516  -1.894
   91    H4*    U   9           H4*        U   9   2.025   7.099  -1.811
   92    H3*    U   9           H3*        U   9   0.220   8.963  -0.470
   93    H2*    U   9           H2*        U   9  -0.329   7.620   1.321
   94   2HO*    U   9          2HO*        U   9  -1.630   6.447  -0.321
   95    H1*    U   9           H1*        U   9   1.302   5.298   0.787
   96    H3     U   9           H3         U   9   1.002   5.439   5.322
   97    H5     U   9           H5         U   9   3.348   8.773   4.284
   98    H6     U   9           H6         U   9   2.856   8.322   1.970
   99   1H5*    U  10          1H5*        U  10  -2.124   8.321   0.648
  100   2H5*    U  10          2H5*        U  10  -3.649   8.810  -0.127
  101    H4*    U  10           H4*        U  10  -3.230  11.105   0.343
  102    H3*    U  10           H3*        U  10  -0.543  10.749   0.228
  103    H2*    U  10           H2*        U  10  -0.460   9.488   2.246
  104   2HO*    U  10          2HO*        U  10   0.021  12.204   2.872
  105    H1*    U  10           H1*        U  10  -2.307  11.594   3.419
  106    H3     U  10           H3         U  10  -3.594   9.278   7.216
  107    H5     U  10           H5         U  10  -0.569   6.923   5.453
  108    H6     U  10           H6         U  10  -0.626   8.401   3.554
  109   1H5*    C  11          1H5*        C  11  -4.198  14.199   1.996
  110   2H5*    C  11          2H5*        C  11  -3.442  12.602   2.220
  111    H4*    C  11           H4*        C  11  -6.249  13.247   1.302
  112    H3*    C  11           H3*        C  11  -5.155  12.175   3.810
  113    H2*    C  11           H2*        C  11  -5.503   9.959   3.221
  114   2HO*    C  11          2HO*        C  11  -7.446  10.421   4.452
  115    H1*    C  11           H1*        C  11  -7.463  10.766   1.067
  116   1H4     C  11          1H4         C  11  -5.827   5.265  -1.753
  117   2H4     C  11          2H4         C  11  -4.836   4.823  -0.383
  118    H5     C  11           H5         C  11  -4.446   6.325   1.521
  119    H6     C  11           H6         C  11  -4.938   8.502   2.423
  120   1H5*    C  12          1H5*        C  12  -9.459  11.374   3.802
  121   2H5*    C  12          2H5*        C  12 -10.132  12.811   4.631
  122    H4*    C  12           H4*        C  12 -11.576  10.964   5.018
  123    H3*    C  12           H3*        C  12 -10.554  12.321   7.227
  124    H2*    C  12           H2*        C  12  -8.948  10.614   7.738
  125   2HO*    C  12          2HO*        C  12 -10.050   9.132   9.308
  126    H1*    C  12           H1*        C  12 -11.074   8.556   7.013
  127   1H4     C  12          1H4         C  12  -6.088   4.700   8.107
  128   2H4     C  12          2H4         C  12  -5.282   5.355   6.701
  129    H5     C  12           H5         C  12  -6.178   7.250   5.414
  130    H6     C  12           H6         C  12  -7.992   8.823   5.263
  131   1H5*    U  13          1H5*        U  13 -15.644   9.713   5.932
  132   2H5*    U  13          2H5*        U  13 -14.217   9.397   6.949
  133    H4*    U  13           H4*        U  13 -13.441  11.017   4.722
  134    H3*    U  13           H3*        U  13 -15.501   9.494   3.720
  135    H2*    U  13           H2*        U  13 -14.551   7.437   4.541
  136   2HO*    U  13          2HO*        U  13 -14.849   7.406   2.164
  137    H1*    U  13           H1*        U  13 -11.911   8.450   3.459
  138    H3     U  13           H3         U  13  -9.265   5.195   5.272
  139    H5     U  13           H5         U  13 -13.045   4.601   7.038
  140    H6     U  13           H6         U  13 -13.807   6.550   5.943
  141   1H5*    C  14          1H5*        C  14 -13.846   8.080  -1.300
  142   2H5*    C  14          2H5*        C  14 -13.546   7.480   0.350
  143    H4*    C  14           H4*        C  14 -11.400   8.743  -1.375
  144    H3*    C  14           H3*        C  14 -12.124   5.819  -1.071
  145    H2*    C  14           H2*        C  14  -9.797   5.284  -1.263
  146   2HO*    C  14          2HO*        C  14  -9.304   8.058  -1.737
  147    H1*    C  14           H1*        C  14  -8.978   7.322   0.407
  148   1H4     C  14          1H4         C  14  -9.683   2.151   4.104
  149   2H4     C  14          2H4         C  14 -11.329   2.640   4.449
  150    H5     C  14           H5         C  14 -12.427   4.543   3.339
  151    H6     C  14           H6         C  14 -12.113   6.285   1.704
  152   1H5*    A  15          1H5*        A  15  -9.312   5.888  -3.975
  153   2H5*    A  15          2H5*        A  15  -9.750   4.908  -5.395
  154    H4*    A  15           H4*        A  15  -7.541   4.293  -4.463
  155    H3*    A  15           H3*        A  15  -9.718   2.207  -4.215
  156    H2*    A  15           H2*        A  15  -8.100   0.683  -3.298
  157   2HO*    A  15          2HO*        A  15  -6.326   1.286  -4.684
  158    H1*    A  15           H1*        A  15  -6.990   2.558  -1.625
  159    H8     A  15           H8         A  15 -10.727   2.963  -2.150
  160   1H6     A  15          1H6         A  15 -11.285  -0.817   2.796
  161   2H6     A  15          2H6         A  15 -12.177   0.189   1.674
  162    H2     A  15           H2         A  15  -6.945  -0.511   1.590
  163   1H5*    C  16          1H5*        C  16  -6.686   0.151  -6.293
  164   2H5*    C  16          2H5*        C  16  -7.367  -0.883  -7.580
  165    H4*    C  16           H4*        C  16  -6.019  -2.178  -5.979
  166    H3*    C  16           H3*        C  16  -8.995  -2.727  -5.841
  167    H2*    C  16           H2*        C  16  -8.475  -4.532  -4.346
  168   2HO*    C  16          2HO*        C  16  -6.300  -5.108  -3.962
  169    H1*    C  16           H1*        C  16  -6.663  -3.017  -2.907
  170   1H4     C  16          1H4         C  16 -12.164  -2.398   0.243
  171   2H4     C  16          2H4         C  16 -12.685  -1.142  -0.860
  172    H5     C  16           H5         C  16 -11.392  -0.492  -2.842
  173    H6     C  16           H6         C  16  -9.384  -0.930  -4.109
  174   1H5*    G  17          1H5*        G  17  -7.274  -6.477  -6.585
  175   2H5*    G  17          2H5*        G  17  -8.158  -7.341  -7.871
  176    H4*    G  17           H4*        G  17  -7.967  -8.800  -5.968
  177    H3*    G  17           H3*        G  17 -10.747  -7.615  -6.165
  178    H2*    G  17           H2*        G  17 -11.391  -9.057  -4.352
  179   2HO*    G  17          2HO*        G  17  -9.911 -10.601  -3.549
  180    H1*    G  17           H1*        G  17  -9.177  -8.434  -2.860
  181    H8     G  17           H8         G  17 -10.167  -5.358  -4.839
  182    H1     G  17           H1         G  17 -13.718  -6.270   0.403
  183   1H2     G  17          1H2         G  17 -13.318  -8.269   1.264
  184   2H2     G  17          2H2         G  17 -12.166  -9.374   0.548
  185   1H5*    G  18          1H5*        G  18 -11.430 -11.727  -6.041
  186   2H5*    G  18          2H5*        G  18 -12.769 -12.212  -7.117
  187    H4*    G  18           H4*        G  18 -13.105 -12.862  -4.727
  188    H3*    G  18           H3*        G  18 -15.055 -10.836  -5.855
  189    H2*    G  18           H2*        G  18 -16.294 -11.034  -3.818
  190   2HO*    G  18          2HO*        G  18 -16.057 -13.362  -3.629
  191    H1*    G  18           H1*        G  18 -13.996 -11.104  -2.226
  192    H8     G  18           H8         G  18 -13.462  -8.459  -4.848
  193    H1     G  18           H1         G  18 -17.349  -6.547  -0.134
  194   1H2     G  18          1H2         G  18 -17.936  -8.274   1.116
  195   2H2     G  18          2H2         G  18 -17.370  -9.897   0.792
  196   1H5*    G  19          1H5*        G  19 -17.500 -13.940  -4.218
  197   2H5*    G  19          2H5*        G  19 -18.788 -14.302  -5.398
  198    H4*    G  19           H4*        G  19 -19.666 -13.817  -3.124
  199    H3*    G  19           H3*        G  19 -20.361 -11.781  -5.255
  200    H2*    G  19           H2*        G  19 -21.819 -10.748  -3.643
  201   2HO*    G  19          2HO*        G  19 -21.987 -11.743  -1.534
  202    H1*    G  19           H1*        G  19 -19.928 -10.825  -1.666
  203    H8     G  19           H8         G  19 -18.653 -10.306  -5.272
  204    H1     G  19           H1         G  19 -19.937  -4.921  -2.070
  205   1H2     G  19          1H2         G  19 -20.857  -5.391  -0.124
  206   2H2     G  19          2H2         G  19 -21.152  -7.034   0.395
  207   1H5*    U  20          1H5*        U  20 -22.370 -10.837  -7.596
  208   2H5*    U  20          2H5*        U  20 -22.192 -11.035  -5.838
  209    H4*    U  20           H4*        U  20 -24.551 -10.217  -7.438
  210    H3*    U  20           H3*        U  20 -23.499  -9.670  -4.661
  211    H2*    U  20           H2*        U  20 -25.671  -9.107  -3.905
  212   2HO*    U  20          2HO*        U  20 -26.271  -7.936  -5.859
  213    H1*    U  20           H1*        U  20 -26.958 -11.168  -5.172
  214    H3     U  20           H3         U  20 -26.215 -11.503  -0.481
  215    H5     U  20           H5         U  20 -23.780 -14.284  -2.489
  216    H6     U  20           H6         U  20 -24.309 -13.134  -4.581
  217   1H5*    G  21          1H5*        G  21 -25.677  -6.516  -4.674
  218   2H5*    G  21          2H5*        G  21 -24.778  -5.071  -4.147
  219    H4*    G  21           H4*        G  21 -26.665  -5.644  -2.638
  220    H3*    G  21           H3*        G  21 -23.896  -5.921  -1.458
  221    H2*    G  21           H2*        G  21 -24.945  -6.345   0.654
  222   2HO*    G  21          2HO*        G  21 -27.166  -6.082   0.921
  223    H1*    G  21           H1*        G  21 -26.776  -8.081  -0.379
  224    H8     G  21           H8         G  21 -23.351  -8.319  -2.103
  225    H1     G  21           H1         G  21 -23.954 -11.993   3.088
  226   1H2     G  21          1H2         G  21 -25.857 -11.550   4.127
  227   2H2     G  21          2H2         G  21 -26.977 -10.342   3.544
  228   1H5*    A  22          1H5*        A  22 -26.276  -3.402   0.813
  229   2H5*    A  22          2H5*        A  22 -25.478  -2.086   1.715
  230    H4*    A  22           H4*        A  22 -26.764  -3.539   3.216
  231    H3*    A  22           H3*        A  22 -23.759  -3.729   3.510
  232    H2*    A  22           H2*        A  22 -24.082  -5.225   5.365
  233   2HO*    A  22          2HO*        A  22 -25.949  -4.147   6.271
  234    H1*    A  22           H1*        A  22 -25.967  -6.719   4.098
  235    H8     A  22           H8         A  22 -23.462  -5.535   1.516
  236   1H6     A  22          1H6         A  22 -20.043 -10.432   3.027
  237   2H6     A  22          2H6         A  22 -20.240  -9.108   1.902
  238    H2     A  22           H2         A  22 -23.366 -10.096   5.984
  239   1H5*    C  23          1H5*        C  23 -21.466  -2.712   6.344
  240   2H5*    C  23          2H5*        C  23 -22.236  -3.036   4.773
  241    H4*    C  23           H4*        C  23 -22.042  -5.404   6.467
  242    H3*    C  23           H3*        C  23 -19.506  -3.963   5.685
  243    H2*    C  23           H2*        C  23 -18.500  -6.070   5.168
  244   2HO*    C  23          2HO*        C  23 -19.594  -8.014   5.642
  245    H1*    C  23           H1*        C  23 -20.639  -7.003   3.780
  246   1H4     C  23          1H4         C  23 -17.109  -3.941  -0.552
  247   2H4     C  23          2H4         C  23 -17.926  -2.438  -0.178
  248    H5     C  23           H5         C  23 -19.544  -2.225   1.658
  249    H6     C  23           H6         C  23 -20.680  -3.412   3.442
  250   1H5*    C  24          1H5*        C  24 -18.574  -7.304   8.078
  251   2H5*    C  24          2H5*        C  24 -17.139  -7.051   9.108
  252    H4*    C  24           H4*        C  24 -16.972  -9.022   7.562
  253    H3*    C  24           H3*        C  24 -15.000  -6.764   7.142
  254    H2*    C  24           H2*        C  24 -13.883  -8.170   5.557
  255   2HO*    C  24          2HO*        C  24 -14.550 -10.364   5.314
  256    H1*    C  24           H1*        C  24 -16.257  -9.082   4.427
  257   1H4     C  24          1H4         C  24 -14.364  -4.289   0.663
  258   2H4     C  24          2H4         C  24 -15.034  -3.120   1.777
  259    H5     C  24           H5         C  24 -15.994  -3.740   3.944
  260    H6     C  24           H6         C  24 -16.493  -5.587   5.417
  261   1H5*    G  25          1H5*        G  25 -12.609 -10.075   7.456
  262   2H5*    G  25          2H5*        G  25 -11.380  -9.832   8.725
  263    H4*    G  25           H4*        G  25 -10.221 -10.607   6.799
  264    H3*    G  25           H3*        G  25  -9.975  -7.595   6.993
  265    H2*    G  25           H2*        G  25  -8.487  -7.676   5.120
  266   2HO*    G  25          2HO*        G  25  -7.854  -9.728   4.266
  267    H1*    G  25           H1*        G  25 -10.072  -9.407   3.693
  268    H8     G  25           H8         G  25 -12.305  -7.052   5.667
  269    H1     G  25           H1         G  25 -10.005  -4.467   0.281
  270   1H2     G  25          1H2         G  25  -8.448  -5.776  -0.586
  271   2H2     G  25          2H2         G  25  -7.977  -7.287   0.158
  272   1H5*    U  26          1H5*        U  26  -6.137  -8.703   6.465
  273   2H5*    U  26          2H5*        U  26  -5.001  -7.751   7.459
  274    H4*    U  26           H4*        U  26  -4.615  -7.579   4.983
  275    H3*    U  26           H3*        U  26  -5.385  -5.036   6.434
  276    H2*    U  26           H2*        U  26  -4.964  -3.856   4.395
  277   2HO*    U  26          2HO*        U  26  -3.944  -4.896   2.644
  278    H1*    U  26           H1*        U  26  -6.119  -5.837   2.796
  279    H3     U  26           H3         U  26  -8.819  -2.188   2.413
  280    H5     U  26           H5         U  26  -9.864  -3.903   6.117
  281    H6     U  26           H6         U  26  -7.987  -5.414   5.871
  282   1H5*    G  27          1H5*        G  27  -1.699  -4.943   4.266
  283   2H5*    G  27          2H5*        G  27  -0.462  -3.831   4.904
  284    H4*    G  27           H4*        G  27  -1.330  -3.715   2.388
  285    H3*    G  27           H3*        G  27   0.177  -1.944   3.890
  286    H2*    G  27           H2*        G  27  -1.676  -0.693   4.684
  287   2HO*    G  27          2HO*        G  27  -1.892   1.188   3.363
  288    H1*    G  27           H1*        G  27  -2.962  -0.865   1.945
  289    H8     G  27           H8         G  27  -4.145  -1.925   5.456
  290    H1     G  27           H1         G  27  -7.442   2.926   2.896
  291   1H2     G  27          1H2         G  27  -6.518   3.568   0.996
  292   2H2     G  27          2H2         G  27  -5.087   2.793   0.347
  293   1H5*    G  28          1H5*        G  28  -0.161  -1.052  -1.079
  294   2H5*    G  28          2H5*        G  28   0.554  -2.412  -1.973
  295    H4*    G  28           H4*        G  28   1.404  -0.483  -3.014
  296    H3*    G  28           H3*        G  28   3.400  -1.578  -1.036
  297    H2*    G  28           H2*        G  28   4.907   0.191  -1.540
  298   2HO*    G  28          2HO*        G  28   4.554   0.295  -3.814
  299    H1*    G  28           H1*        G  28   3.072   2.156  -1.434
  300    H8     G  28           H8         G  28   1.854  -0.289   1.140
  301    H1     G  28           H1         G  28   6.879   3.121   3.145
  302   1H2     G  28          1H2         G  28   7.779   4.226   1.453
  303   2H2     G  28          2H2         G  28   7.148   4.116  -0.174
  304   1H5*    U  29          1H5*        U  29   5.847  -1.414  -4.903
  305   2H5*    U  29          2H5*        U  29   7.159  -2.596  -4.636
  306    H4*    U  29           H4*        U  29   7.716  -0.048  -4.940
  307    H3*    U  29           H3*        U  29   8.885  -1.731  -2.711
  308    H2*    U  29           H2*        U  29  10.199   0.165  -2.096
  309   2HO*    U  29          2HO*        U  29  10.398   1.950  -3.472
  310    H1*    U  29           H1*        U  29   8.141   2.006  -2.653
  311    H3     U  29           H3         U  29   9.333   1.837   1.902
  312    H5     U  29           H5         U  29   6.231  -0.959   1.322
  313    H6     U  29           H6         U  29   6.482  -0.646  -1.050
  314   1H5*    C  30          1H5*        C  30  12.190   0.178  -4.375
  315   2H5*    C  30          2H5*        C  30  13.599  -0.917  -4.391
  316    H4*    C  30           H4*        C  30  13.937   1.203  -3.079
  317    H3*    C  30           H3*        C  30  14.083  -1.430  -1.602
  318    H2*    C  30           H2*        C  30  14.685  -0.251   0.374
  319   2HO*    C  30          2HO*        C  30  15.209   2.004   0.248
  320    H1*    C  30           H1*        C  30  12.959   1.900  -0.115
  321   1H4     C  30          1H4         C  30  10.015  -1.843   4.154
  322   2H4     C  30          2H4         C  30   9.289  -2.749   2.846
  323    H5     C  30           H5         C  30   9.862  -2.390   0.490
  324    H6     C  30           H6         C  30  11.229  -1.096  -1.024
  325   1H5*    C  31          1H5*        C  31  17.917   0.289  -0.369
  326   2H5*    C  31          2H5*        C  31  19.089  -0.944  -0.910
  327    H4*    C  31           H4*        C  31  19.607  -0.501   1.369
  328    H3*    C  31           H3*        C  31  17.901  -3.000   1.207
  329    H2*    C  31           H2*        C  31  18.303  -3.292   3.558
  330   2HO*    C  31          2HO*        C  31  19.688  -1.765   4.638
  331    H1*    C  31           H1*        C  31  17.754  -0.659   4.132
  332   1H4     C  31          1H4         C  31  12.090  -3.542   4.580
  333   2H4     C  31          2H4         C  31  11.916  -3.537   2.841
  334    H5     C  31           H5         C  31  13.676  -2.759   1.325
  335    H6     C  31           H6         C  31  15.913  -1.855   1.224
  336   1H5*    U  32          1H5*        U  32  20.925  -5.185   3.459
  337   2H5*    U  32          2H5*        U  32  21.505  -6.220   2.133
  338    H4*    U  32           H4*        U  32  21.055  -7.699   3.905
  339    H3*    U  32           H3*        U  32  18.614  -7.657   2.116
  340    H2*    U  32           H2*        U  32  17.751  -9.427   3.451
  341   2HO*    U  32          2HO*        U  32  19.036 -10.370   5.088
  342    H1*    U  32           H1*        U  32  18.392  -8.233   5.792
  343    H3     U  32           H3         U  32  13.902  -8.184   4.706
  344    H5     U  32           H5         U  32  15.488  -4.474   3.600
  345    H6     U  32           H6         U  32  17.714  -5.388   3.946
  346   1H5*    C  33          1H5*        C  33  19.687 -11.754   2.852
  347   2H5*    C  33          2H5*        C  33  19.167 -12.768   1.484
  348    H4*    C  33           H4*        C  33  18.194 -13.324   3.794
  349    H3*    C  33           H3*        C  33  16.309 -12.737   1.496
  350    H2*    C  33           H2*        C  33  14.535 -13.424   2.942
  351   2HO*    C  33          2HO*        C  33  15.001 -14.291   5.008
  352    H1*    C  33           H1*        C  33  15.487 -12.006   5.098
  353   1H4     C  33          1H4         C  33  11.329  -8.215   2.062
  354   2H4     C  33          2H4         C  33  12.649  -7.503   1.157
  355    H5     C  33           H5         C  33  14.961  -8.350   1.274
  356    H6     C  33           H6         C  33  16.379 -10.029   2.275
  357   1H5*    C  34          1H5*        C  34  15.185 -16.408   3.479
  358   2H5*    C  34          2H5*        C  34  14.581 -17.548   2.255
  359    H4*    C  34           H4*        C  34  13.033 -17.066   4.220
  360    H3*    C  34           H3*        C  34  12.068 -16.546   1.396
  361    H2*    C  34           H2*        C  34   9.903 -16.088   2.306
  362   2HO*    C  34          2HO*        C  34  10.041 -17.841   3.917
  363    H1*    C  34           H1*        C  34  10.894 -14.622   4.452
  364   1H4     C  34          1H4         C  34   9.367 -10.474  -0.189
  365   2H4     C  34          2H4         C  34  11.032 -10.489  -0.728
  366    H5     C  34           H5         C  34  12.721 -12.023   0.194
  367    H6     C  34           H6         C  34  13.095 -13.793   1.790
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1  -2.686  -7.955   2.356
    2   2H5*    G   1          2H5*        G   1  -1.456  -8.379   1.166
    3    H4*    G   1           H4*        G   1  -2.793 -10.322   3.063
    4    H3*    G   1           H3*        G   1  -0.056  -9.031   3.152
    5    H2*    G   1           H2*        G   1   0.771 -11.025   4.174
    6   2HO*    G   1          2HO*        G   1  -0.623 -12.641   4.884
    7    H1*    G   1           H1*        G   1  -0.521 -12.699   2.446
    8    H8     G   1           H8         G   1   0.515  -9.753   0.377
    9    H1     G   1           H1         G   1   5.427 -13.605   1.762
   10   1H2     G   1          1H2         G   1   4.845 -15.056   3.322
   11   2H2     G   1          2H2         G   1   3.238 -15.088   4.015
   12   1H5*    G   2          1H5*        G   2  -0.566 -10.591   7.192
   13   2H5*    G   2          2H5*        G   2   0.276  -9.471   8.297
   14    H4*    G   2           H4*        G   2   1.061 -11.915   8.272
   15    H3*    G   2           H3*        G   2   3.045  -9.686   7.743
   16    H2*    G   2           H2*        G   2   4.767 -11.341   7.769
   17   2HO*    G   2          2HO*        G   2   4.306 -13.479   8.439
   18    H1*    G   2           H1*        G   2   3.260 -13.206   6.348
   19    H8     G   2           H8         G   2   2.540 -10.165   4.425
   20    H1     G   2           H1         G   2   8.650 -11.900   3.703
   21   1H2     G   2          1H2         G   2   9.218 -13.380   5.244
   22   2H2     G   2          2H2         G   2   8.086 -13.951   6.451
   23   1H5*    A   3          1H5*        A   3   4.867 -11.791  11.270
   24   2H5*    A   3          2H5*        A   3   5.147 -10.439  12.400
   25    H4*    A   3           H4*        A   3   7.168 -11.757  12.247
   26    H3*    A   3           H3*        A   3   7.398  -9.178  10.676
   27    H2*    A   3           H2*        A   3   9.728  -9.713  10.344
   28   2HO*    A   3          2HO*        A   3  10.577 -11.622  11.326
   29    H1*    A   3           H1*        A   3   9.178 -12.278   9.578
   30    H8     A   3           H8         A   3   6.245 -10.284   8.353
   31   1H6     A   3          1H6         A   3   9.770  -8.512   3.597
   32   2H6     A   3          2H6         A   3   8.147  -8.552   4.246
   33    H2     A   3           H2         A   3  12.389 -10.543   6.624
   34   1H5*    G   4          1H5*        G   4  10.695  -9.051  13.215
   35   2H5*    G   4          2H5*        G   4  10.903  -7.439  13.941
   36    H4*    G   4           H4*        G   4  12.962  -8.201  12.837
   37    H3*    G   4           H3*        G   4  11.572  -5.926  11.396
   38    H2*    G   4           H2*        G   4  13.496  -5.814   9.956
   39   2HO*    G   4          2HO*        G   4  15.125  -6.274  11.533
   40    H1*    G   4           H1*        G   4  13.544  -8.522   9.558
   41    H8     G   4           H8         G   4   9.911  -7.707   9.898
   42    H1     G   4           H1         G   4  12.326  -5.878   4.273
   43   1H2     G   4          1H2         G   4  14.535  -5.983   4.318
   44   2H2     G   4          2H2         G   4  15.410  -6.517   5.734
   45   1H5*    G   5          1H5*        G   5  15.553  -4.055  11.982
   46   2H5*    G   5          2H5*        G   5  15.139  -2.399  12.499
   47    H4*    G   5           H4*        G   5  16.644  -2.536  10.482
   48    H3*    G   5           H3*        G   5  13.935  -1.225  10.127
   49    H2*    G   5           H2*        G   5  14.623  -0.610   7.910
   50   2HO*    G   5          2HO*        G   5  16.777  -1.037   7.234
   51    H1*    G   5           H1*        G   5  15.654  -3.095   7.349
   52    H8     G   5           H8         G   5  12.672  -3.897   9.439
   53    H1     G   5           H1         G   5  11.032  -1.880   3.595
   54   1H2     G   5          1H2         G   5  12.785  -1.011   2.560
   55   2H2     G   5          2H2         G   5  14.358  -0.919   3.319
   56   1H5*    A   6          1H5*        A   6  17.051   1.707   8.725
   57   2H5*    A   6          2H5*        A   6  16.359   3.324   9.027
   58    H4*    A   6           H4*        A   6  17.063   2.678   6.602
   59    H3*    A   6           H3*        A   6  14.330   3.830   7.222
   60    H2*    A   6           H2*        A   6  13.931   3.901   4.867
   61   2HO*    A   6          2HO*        A   6  15.630   3.423   3.401
   62    H1*    A   6           H1*        A   6  15.043   1.421   4.404
   63    H8     A   6           H8         A   6  13.071   1.095   7.589
   64   1H6     A   6          1H6         A   6   8.011   0.570   4.081
   65   2H6     A   6          2H6         A   6   8.662   0.403   5.693
   66    H2     A   6           H2         A   6  11.405   1.891   1.463
   67   1H5*    C   7          1H5*        C   7  15.910   5.958   3.946
   68   2H5*    C   7          2H5*        C   7  15.386   7.661   3.994
   69    H4*    C   7           H4*        C   7  14.734   6.341   1.917
   70    H3*    C   7           H3*        C   7  12.556   7.589   3.596
   71    H2*    C   7           H2*        C   7  10.993   6.962   1.888
   72   2HO*    C   7          2HO*        C   7  11.749   6.140  -0.106
   73    H1*    C   7           H1*        C   7  12.161   4.462   1.514
   74   1H4     C   7          1H4         C   7   7.257   3.624   5.518
   75   2H4     C   7          2H4         C   7   8.329   3.882   6.878
   76    H5     C   7           H5         C   7  10.674   4.584   6.617
   77    H6     C   7           H6         C   7  12.382   5.153   4.999
   78   1H5*    A   8          1H5*        A   8  10.230  11.324   1.096
   79   2H5*    A   8          2H5*        A   8   9.676  10.132   2.302
   80    H4*    A   8           H4*        A   8   9.337  10.031  -0.705
   81    H3*    A   8           H3*        A   8   7.462  10.460   1.593
   82    H2*    A   8           H2*        A   8   5.810   8.968   0.762
   83   2HO*    A   8          2HO*        A   8   6.016   8.078  -1.354
   84    H1*    A   8           H1*        A   8   7.436   6.971   0.082
   85    H8     A   8           H8         A   8   9.587   7.906   2.792
   86   1H6     A   8          1H6         A   8   5.301   6.165   6.902
   87   2H6     A   8          2H6         A   8   6.984   6.582   6.674
   88    H2     A   8           H2         A   8   3.343   6.519   2.892
   89   1H5*    U   9          1H5*        U   9   4.856  10.159  -0.650
   90   2H5*    U   9          2H5*        U   9   4.097  11.662  -1.239
   91    H4*    U   9           H4*        U   9   2.352  10.130  -0.709
   92    H3*    U   9           H3*        U   9   2.676  12.475   1.047
   93    H2*    U   9           H2*        U   9   1.819  11.591   2.922
   94   2HO*    U   9          2HO*        U   9  -0.071  10.175   1.348
   95    H1*    U   9           H1*        U   9   1.633   8.793   2.277
   96    H3     U   9           H3         U   9   2.869   9.125   6.635
   97    H5     U   9           H5         U   9   6.322  10.041   4.439
   98    H6     U   9           H6         U   9   5.021  10.036   2.454
   99   1H5*    U  10          1H5*        U  10   0.460  15.552   1.770
  100   2H5*    U  10          2H5*        U  10   0.560  14.714   3.336
  101    H4*    U  10           H4*        U  10  -2.009  15.279   1.827
  102    H3*    U  10           H3*        U  10  -0.863  17.357   2.939
  103    H2*    U  10           H2*        U  10  -0.040  16.321   4.917
  104   2HO*    U  10          2HO*        U  10  -1.354  18.064   5.648
  105    H1*    U  10           H1*        U  10  -2.489  14.828   5.680
  106    H3     U  10           H3         U  10   1.518  13.467   7.977
  107    H5     U  10           H5         U  10   0.950  11.210   4.454
  108    H6     U  10           H6         U  10  -0.734  12.693   3.838
  109   1H5*    C  11          1H5*        C  11  -6.035  18.205   3.640
  110   2H5*    C  11          2H5*        C  11  -5.220  16.627   3.825
  111    H4*    C  11           H4*        C  11  -7.744  17.300   2.314
  112    H3*    C  11           H3*        C  11  -7.526  16.141   4.795
  113    H2*    C  11           H2*        C  11  -6.176  14.318   4.048
  114   2HO*    C  11          2HO*        C  11  -8.841  13.391   3.741
  115    H1*    C  11           H1*        C  11  -8.020  14.027   1.663
  116   1H4     C  11          1H4         C  11  -3.508  10.162  -0.602
  117   2H4     C  11          2H4         C  11  -2.324  10.778   0.527
  118    H5     C  11           H5         C  11  -2.824  12.565   2.128
  119    H6     C  11           H6         C  11  -4.523  14.081   2.926
  120   1H5*    C  12          1H5*        C  12 -10.608  12.662   3.772
  121   2H5*    C  12          2H5*        C  12 -11.816  13.969   3.634
  122    H4*    C  12           H4*        C  12 -12.910  12.037   4.554
  123    H3*    C  12           H3*        C  12 -13.161  14.392   5.877
  124    H2*    C  12           H2*        C  12 -11.259  14.050   7.299
  125   2HO*    C  12          2HO*        C  12 -13.444  12.958   8.754
  126    H1*    C  12           H1*        C  12 -12.179  11.224   7.877
  127   1H4     C  12          1H4         C  12  -6.349  11.152  10.480
  128   2H4     C  12          2H4         C  12  -5.624  11.546   8.941
  129    H5     C  12           H5         C  12  -6.949  12.045   6.929
  130    H6     C  12           H6         C  12  -9.193  12.250   6.059
  131   1H5*    U  13          1H5*        U  13 -15.983   9.403   5.630
  132   2H5*    U  13          2H5*        U  13 -14.569  10.355   6.144
  133    H4*    U  13           H4*        U  13 -14.754  11.092   3.556
  134    H3*    U  13           H3*        U  13 -16.536   9.172   3.211
  135    H2*    U  13           H2*        U  13 -15.320   7.646   4.690
  136   2HO*    U  13          2HO*        U  13 -14.665   6.867   2.030
  137    H1*    U  13           H1*        U  13 -12.920   8.062   2.904
  138    H3     U  13           H3         U  13 -11.046   4.808   5.602
  139    H5     U  13           H5         U  13 -11.956   8.043   8.158
  140    H6     U  13           H6         U  13 -13.110   9.074   6.341
  141   1H5*    C  14          1H5*        C  14 -12.768  10.597   1.888
  142   2H5*    C  14          2H5*        C  14 -12.709  12.259   1.253
  143    H4*    C  14           H4*        C  14 -11.393  11.505  -0.669
  144    H3*    C  14           H3*        C  14 -11.749   8.744   0.509
  145    H2*    C  14           H2*        C  14  -9.533   8.147  -0.135
  146   2HO*    C  14          2HO*        C  14  -8.289   9.744  -1.381
  147    H1*    C  14           H1*        C  14  -8.371  10.487   0.630
  148   1H4     C  14          1H4         C  14  -8.059   6.458   5.596
  149   2H4     C  14          2H4         C  14  -9.389   7.323   6.317
  150    H5     C  14           H5         C  14 -10.616   9.084   5.144
  151    H6     C  14           H6         C  14 -10.808  10.299   3.073
  152   1H5*    A  15          1H5*        A  15  -9.537   7.922  -2.935
  153   2H5*    A  15          2H5*        A  15 -10.275   6.504  -3.714
  154    H4*    A  15           H4*        A  15  -7.779   6.411  -2.877
  155    H3*    A  15           H3*        A  15  -9.833   4.242  -2.455
  156    H2*    A  15           H2*        A  15  -8.239   2.915  -1.241
  157   2HO*    A  15          2HO*        A  15  -6.049   3.571  -1.143
  158    H1*    A  15           H1*        A  15  -7.324   4.962   0.290
  159    H8     A  15           H8         A  15 -10.962   5.183  -0.762
  160   1H6     A  15          1H6         A  15 -12.189   2.328   4.641
  161   2H6     A  15          2H6         A  15 -12.920   3.102   3.251
  162    H2     A  15           H2         A  15  -7.734   2.526   4.017
  163   1H5*    C  16          1H5*        C  16  -6.430   2.289  -4.058
  164   2H5*    C  16          2H5*        C  16  -6.868   0.979  -5.189
  165    H4*    C  16           H4*        C  16  -5.447   0.307  -3.197
  166    H3*    C  16           H3*        C  16  -8.144  -1.000  -3.613
  167    H2*    C  16           H2*        C  16  -7.631  -2.462  -1.784
  168   2HO*    C  16          2HO*        C  16  -5.036  -1.248  -1.844
  169    H1*    C  16           H1*        C  16  -6.663  -0.435  -0.195
  170   1H4     C  16          1H4         C  16 -12.899  -1.125   1.114
  171   2H4     C  16          2H4         C  16 -13.222   0.286   0.131
  172    H5     C  16           H5         C  16 -11.498   1.384  -1.226
  173    H6     C  16           H6         C  16  -9.175   1.321  -1.875
  174   1H5*    G  17          1H5*        G  17  -5.166  -3.936  -3.105
  175   2H5*    G  17          2H5*        G  17  -5.335  -5.267  -4.277
  176    H4*    G  17           H4*        G  17  -5.077  -6.092  -1.969
  177    H3*    G  17           H3*        G  17  -7.796  -6.553  -3.212
  178    H2*    G  17           H2*        G  17  -8.397  -7.825  -1.262
  179   2HO*    G  17          2HO*        G  17  -6.835  -8.299   0.321
  180    H1*    G  17           H1*        G  17  -7.392  -5.965   0.484
  181    H8     G  17           H8         G  17  -8.737  -3.979  -2.410
  182    H1     G  17           H1         G  17 -13.343  -6.148   1.460
  183   1H2     G  17          1H2         G  17 -12.522  -7.645   2.867
  184   2H2     G  17          2H2         G  17 -10.833  -8.099   2.858
  185   1H5*    G  18          1H5*        G  18  -6.713 -10.212  -1.780
  186   2H5*    G  18          2H5*        G  18  -7.035 -11.526  -2.942
  187    H4*    G  18           H4*        G  18  -8.092 -11.894  -0.719
  188    H3*    G  18           H3*        G  18  -9.985 -11.455  -3.040
  189    H2*    G  18           H2*        G  18 -11.788 -11.977  -1.566
  190   2HO*    G  18          2HO*        G  18 -10.745 -13.770  -0.505
  191    H1*    G  18           H1*        G  18 -10.648 -10.604   0.602
  192    H8     G  18           H8         G  18 -10.311  -8.514  -2.531
  193    H1     G  18           H1         G  18 -16.126  -8.177   0.132
  194   1H2     G  18          1H2         G  18 -16.332  -9.715   1.706
  195   2H2     G  18          2H2         G  18 -15.040 -10.827   2.100
  196   1H5*    G  19          1H5*        G  19 -12.229 -15.595  -4.802
  197   2H5*    G  19          2H5*        G  19 -12.449 -13.848  -5.093
  198    H4*    G  19           H4*        G  19 -13.820 -15.525  -2.968
  199    H3*    G  19           H3*        G  19 -14.843 -14.192  -5.487
  200    H2*    G  19           H2*        G  19 -16.961 -13.920  -4.403
  201   2HO*    G  19          2HO*        G  19 -17.185 -14.798  -2.222
  202    H1*    G  19           H1*        G  19 -15.844 -13.040  -2.047
  203    H8     G  19           H8         G  19 -14.263 -12.083  -5.467
  204    H1     G  19           H1         G  19 -18.237  -7.741  -2.961
  205   1H2     G  19          1H2         G  19 -19.159  -8.525  -1.124
  206   2H2     G  19          2H2         G  19 -18.795 -10.118  -0.502
  207   1H5*    U  20          1H5*        U  20 -16.496 -14.688  -8.145
  208   2H5*    U  20          2H5*        U  20 -16.798 -14.987  -6.417
  209    H4*    U  20           H4*        U  20 -18.309 -16.125  -8.782
  210    H3*    U  20           H3*        U  20 -19.119 -14.365  -6.452
  211    H2*    U  20           H2*        U  20 -21.318 -15.253  -6.631
  212   2HO*    U  20          2HO*        U  20 -21.882 -16.548  -8.473
  213    H1*    U  20           H1*        U  20 -20.424 -17.850  -7.268
  214    H3     U  20           H3         U  20 -22.131 -18.882  -3.262
  215    H5     U  20           H5         U  20 -19.282 -15.937  -2.318
  216    H6     U  20           H6         U  20 -18.852 -15.681  -4.698
  217   1H5*    G  21          1H5*        G  21 -20.729 -10.233  -6.230
  218   2H5*    G  21          2H5*        G  21 -19.797 -11.454  -5.320
  219    H4*    G  21           H4*        G  21 -22.813 -11.446  -5.635
  220    H3*    G  21           H3*        G  21 -21.065 -10.490  -3.364
  221    H2*    G  21           H2*        G  21 -22.686 -11.300  -1.808
  222   2HO*    G  21          2HO*        G  21 -24.584 -10.702  -2.990
  223    H1*    G  21           H1*        G  21 -23.033 -13.682  -3.028
  224    H8     G  21           H8         G  21 -19.438 -12.390  -3.368
  225    H1     G  21           H1         G  21 -20.541 -15.784   1.933
  226   1H2     G  21          1H2         G  21 -22.701 -16.221   2.129
  227   2H2     G  21          2H2         G  21 -23.872 -15.672   0.953
  228   1H5*    A  22          1H5*        A  22 -24.864  -8.439  -2.619
  229   2H5*    A  22          2H5*        A  22 -24.636  -7.082  -1.483
  230    H4*    A  22           H4*        A  22 -25.978  -9.066  -0.617
  231    H3*    A  22           H3*        A  22 -23.467  -8.249   0.856
  232    H2*    A  22           H2*        A  22 -24.101  -9.827   2.569
  233   2HO*    A  22          2HO*        A  22 -26.420  -9.466   2.391
  234    H1*    A  22           H1*        A  22 -24.589 -11.796   0.727
  235    H8     A  22           H8         A  22 -21.787  -9.898  -0.821
  236   1H6     A  22          1H6         A  22 -17.900 -12.745   3.020
  237   2H6     A  22          2H6         A  22 -18.036 -11.745   1.592
  238    H2     A  22           H2         A  22 -22.060 -13.532   4.427
  239   1H5*    C  23          1H5*        C  23 -24.591  -7.886   3.511
  240   2H5*    C  23          2H5*        C  23 -24.069  -6.645   4.675
  241    H4*    C  23           H4*        C  23 -22.832  -8.878   4.722
  242    H3*    C  23           H3*        C  23 -21.265  -6.332   4.264
  243    H2*    C  23           H2*        C  23 -19.276  -7.655   4.485
  244   2HO*    C  23          2HO*        C  23 -19.403  -9.823   5.150
  245    H1*    C  23           H1*        C  23 -20.275  -9.707   2.909
  246   1H4     C  23          1H4         C  23 -16.906  -5.909  -0.963
  247   2H4     C  23          2H4         C  23 -18.336  -4.945  -1.269
  248    H5     C  23           H5         C  23 -20.459  -5.296  -0.079
  249    H6     C  23           H6         C  23 -21.590  -6.641   1.590
  250   1H5*    C  24          1H5*        C  24 -19.686  -8.342   7.659
  251   2H5*    C  24          2H5*        C  24 -19.044  -7.208   8.877
  252    H4*    C  24           H4*        C  24 -17.381  -8.904   8.110
  253    H3*    C  24           H3*        C  24 -16.758  -6.029   7.385
  254    H2*    C  24           H2*        C  24 -14.608  -6.814   6.666
  255   2HO*    C  24          2HO*        C  24 -15.383  -9.350   7.747
  256    H1*    C  24           H1*        C  24 -15.676  -9.067   5.423
  257   1H4     C  24          1H4         C  24 -15.009  -4.734   0.788
  258   2H4     C  24          2H4         C  24 -16.464  -3.912   1.304
  259    H5     C  24           H5         C  24 -17.725  -4.568   3.306
  260    H6     C  24           H6         C  24 -17.815  -6.118   5.152
  261   1H5*    G  25          1H5*        G  25 -13.603  -7.758   9.649
  262   2H5*    G  25          2H5*        G  25 -12.718  -6.582  10.653
  263    H4*    G  25           H4*        G  25 -11.301  -7.943   9.062
  264    H3*    G  25           H3*        G  25 -11.325  -4.932   8.750
  265    H2*    G  25           H2*        G  25  -9.594  -5.186   7.110
  266   2HO*    G  25          2HO*        G  25  -8.711  -7.274   6.708
  267    H1*    G  25           H1*        G  25 -10.864  -7.242   5.824
  268    H8     G  25           H8         G  25 -13.716  -5.096   6.884
  269    H1     G  25           H1         G  25 -10.350  -2.429   2.131
  270   1H2     G  25          1H2         G  25  -8.434  -3.504   1.866
  271   2H2     G  25          2H2         G  25  -7.986  -4.875   2.854
  272   1H5*    U  26          1H5*        U  26  -7.429  -5.776   8.684
  273   2H5*    U  26          2H5*        U  26  -6.431  -4.590   9.566
  274    H4*    U  26           H4*        U  26  -6.005  -4.880   7.043
  275    H3*    U  26           H3*        U  26  -6.563  -2.160   8.239
  276    H2*    U  26           H2*        U  26  -6.192  -1.185   6.097
  277   2HO*    U  26          2HO*        U  26  -5.277  -2.384   4.408
  278    H1*    U  26           H1*        U  26  -7.503  -3.203   4.697
  279    H3     U  26           H3         U  26  -9.613   0.994   4.664
  280    H5     U  26           H5         U  26 -11.527  -1.417   7.546
  281    H6     U  26           H6         U  26  -9.714  -3.004   7.328
  282   1H5*    G  27          1H5*        G  27  -2.922  -2.642   5.932
  283   2H5*    G  27          2H5*        G  27  -1.638  -1.442   6.231
  284    H4*    G  27           H4*        G  27  -3.099  -1.828   3.864
  285    H3*    G  27           H3*        G  27  -0.792  -0.486   4.428
  286    H2*    G  27           H2*        G  27  -1.891   1.367   5.472
  287   2HO*    G  27          2HO*        G  27  -0.588   2.288   3.884
  288    H1*    G  27           H1*        G  27  -3.876   1.385   3.185
  289    H8     G  27           H8         G  27  -4.076   1.312   7.049
  290    H1     G  27           H1         G  27  -6.846   6.359   4.269
  291   1H2     G  27          1H2         G  27  -6.506   6.320   2.084
  292   2H2     G  27          2H2         G  27  -5.609   5.032   1.309
  293   1H5*    G  28          1H5*        G  28  -1.763   2.699   0.201
  294   2H5*    G  28          2H5*        G  28  -1.502   1.053  -0.428
  295    H4*    G  28           H4*        G  28  -0.355   2.659  -1.834
  296    H3*    G  28           H3*        G  28   1.484   1.007  -0.104
  297    H2*    G  28           H2*        G  28   3.359   2.086  -1.101
  298   2HO*    G  28          2HO*        G  28   3.074   3.518  -2.847
  299    H1*    G  28           H1*        G  28   2.359   4.576  -0.849
  300    H8     G  28           H8         G  28   0.967   2.804   2.149
  301    H1     G  28           H1         G  28   7.161   4.244   2.766
  302   1H2     G  28          1H2         G  28   7.996   4.878   0.824
  303   2H2     G  28          2H2         G  28   7.025   4.950  -0.629
  304   1H5*    U  29          1H5*        U  29   2.836   0.523  -4.182
  305   2H5*    U  29          2H5*        U  29   3.449  -1.130  -4.468
  306    H4*    U  29           H4*        U  29   5.084   0.684  -5.019
  307    H3*    U  29           H3*        U  29   5.834  -1.191  -2.762
  308    H2*    U  29           H2*        U  29   7.961  -0.136  -2.729
  309   2HO*    U  29          2HO*        U  29   7.156   1.111  -5.173
  310    H1*    U  29           H1*        U  29   6.920   2.412  -3.235
  311    H3     U  29           H3         U  29   8.926   2.170   0.987
  312    H5     U  29           H5         U  29   4.966   0.810   1.483
  313    H6     U  29           H6         U  29   4.731   0.824  -0.914
  314   1H5*    C  30          1H5*        C  30   9.131  -1.125  -5.442
  315   2H5*    C  30          2H5*        C  30  10.017  -2.672  -5.363
  316    H4*    C  30           H4*        C  30  11.232  -0.482  -4.647
  317    H3*    C  30           H3*        C  30  11.209  -2.977  -2.943
  318    H2*    C  30           H2*        C  30  12.632  -1.880  -1.378
  319   2HO*    C  30          2HO*        C  30  13.611   0.121  -1.903
  320    H1*    C  30           H1*        C  30  11.344   0.576  -1.572
  321   1H4     C  30          1H4         C  30   9.059  -2.502   3.589
  322   2H4     C  30          2H4         C  30   7.631  -2.887   2.657
  323    H5     C  30           H5         C  30   7.434  -2.423   0.263
  324    H6     C  30           H6         C  30   8.574  -1.520  -1.661
  325   1H5*    C  31          1H5*        C  31  15.239  -2.022  -2.790
  326   2H5*    C  31          2H5*        C  31  16.136  -3.398  -3.487
  327    H4*    C  31           H4*        C  31  17.184  -2.895  -1.408
  328    H3*    C  31           H3*        C  31  15.296  -5.239  -1.077
  329    H2*    C  31           H2*        C  31  16.091  -5.469   1.173
  330   2HO*    C  31          2HO*        C  31  17.798  -4.080   1.903
  331    H1*    C  31           H1*        C  31  15.910  -2.788   1.704
  332   1H4     C  31          1H4         C  31  10.232  -5.207   3.314
  333   2H4     C  31          2H4         C  31   9.658  -4.974   1.680
  334    H5     C  31           H5         C  31  11.112  -4.217  -0.146
  335    H6     C  31           H6         C  31  13.364  -3.551  -0.706
  336   1H5*    U  32          1H5*        U  32  18.236  -6.893   0.989
  337   2H5*    U  32          2H5*        U  32  18.871  -8.221  -0.012
  338    H4*    U  32           H4*        U  32  18.569  -9.184   2.105
  339    H3*    U  32           H3*        U  32  16.086  -9.762   0.479
  340    H2*    U  32           H2*        U  32  15.329 -11.108   2.284
  341   2HO*    U  32          2HO*        U  32  16.694 -11.499   4.080
  342    H1*    U  32           H1*        U  32  15.953  -9.301   4.187
  343    H3     U  32           H3         U  32  11.466  -9.391   3.676
  344    H5     U  32           H5         U  32  12.801  -6.662   0.793
  345    H6     U  32           H6         U  32  15.100  -7.364   1.286
  346   1H5*    C  33          1H5*        C  33  17.407 -13.388   2.318
  347   2H5*    C  33          2H5*        C  33  16.963 -14.791   1.313
  348    H4*    C  33           H4*        C  33  16.035 -14.809   3.665
  349    H3*    C  33           H3*        C  33  14.039 -14.778   1.386
  350    H2*    C  33           H2*        C  33  12.349 -15.153   3.033
  351   2HO*    C  33          2HO*        C  33  14.514 -15.432   4.883
  352    H1*    C  33           H1*        C  33  13.371 -13.288   4.778
  353   1H4     C  33          1H4         C  33   8.964 -10.266   1.277
  354   2H4     C  33          2H4         C  33  10.167  -9.892   0.061
  355    H5     C  33           H5         C  33  12.473 -10.755   0.152
  356    H6     C  33           H6         C  33  13.999 -12.134   1.420
  357   1H5*    C  34          1H5*        C  34  13.032 -17.923   4.144
  358   2H5*    C  34          2H5*        C  34  12.435 -19.313   3.211
  359    H4*    C  34           H4*        C  34  10.888 -18.485   5.029
  360    H3*    C  34           H3*        C  34   9.892 -18.446   2.169
  361    H2*    C  34           H2*        C  34   7.740 -17.835   3.014
  362   2HO*    C  34          2HO*        C  34   7.363 -17.852   5.292
  363    H1*    C  34           H1*        C  34   8.771 -16.061   4.904
  364   1H4     C  34          1H4         C  34   7.104 -12.588  -0.200
  365   2H4     C  34          2H4         C  34   8.715 -12.784  -0.858
  366    H5     C  34           H5         C  34  10.409 -14.248   0.167
  367    H6     C  34           H6         C  34  10.842 -15.763   1.996