*HEADER    RNA                                     22-OCT-03   1R7W              
*TITLE     NMR STRUCTURE OF THE R(GGAGGACAUCCCUCACGGGUGACCGUGGUCCUCC),           
*TITLE    2 DOMAIN IV STEM-LOOP B OF ENTEROVIRAL IRES WITH AUCCCU 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 1R7W    0                                                



# October 20, 2003
#
# Z. Du, N.B. Ulyanov, J. Yu, T.L. James
#
# Experimental NMR data for the RNA 34mer
# r(GGAGGACAUCCCUCACGGGUGACCGUGGUCCUCC)
#
# 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
#
# (1a) quantitative distance restraints from the 2D D2O NOESY dataset
#
# Distance restraints involving nonexchangeable protons were calculated with the
# MARDIGRAS program using integrated intensities in the 2D D2O NOESY dataset. The
# RANDMARDI procedure was run 50 times assuming isotropic effective correlation
# times of 15 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 may_03.restraints   Mon Aug 18 14:49:19 2003
#Restraints obtained from mardigras inp= aug27_02_3.mardi * filter= filter *** Tue Aug 27 2002
ATOM- i ATOM- j   r_low   r_up     k_low     k_up
H4'   1 H1'   1   4.010   5.680    10.00    10.00
H8    1 1H2'  1   3.190   6.610    10.00    10.00
H8    1 H1'   1   3.620   4.380    10.00    10.00
H1'   2 1H2'  1   4.850   5.990    10.00    10.00
H8    2 1H2'  1   3.770   5.940    10.00    10.00
H8    2 H1'   1   3.810   4.720    10.00    10.00
H8    2 H8    1   3.640   6.300    10.00    10.00
H8    2 H1'   2   4.140   5.950    10.00    10.00
H2    3 H1'   3   4.460   5.780    10.00    10.00
H8    3 H1'   3   3.700   6.140    10.00    10.00
H1'   4 H2    3   3.090   3.430    10.00    10.00
H4'   4 H1'   4   3.270   3.750    10.00    10.00
H8    4 H2    3   4.450   5.830    10.00    10.00
H8    4 H8    3   3.840   6.150    10.00    10.00
H8    4 1H5'  4   2.940   6.250    10.00    10.00
H8    4 2H5'  4   2.880   4.600    10.00    10.00
H8    4 1H2'  4   3.080   4.740    10.00    10.00
H8    4 H1'   4   3.380   4.150    10.00    10.00
H8    4 H3'   4   2.950   3.610    10.00    10.00
H8    4 H4'   4   3.710   6.020    10.00    10.00
H8    5 H1'   4   4.290   6.830    10.00    10.00
H8    5 H3'   4   3.840   6.250    10.00    10.00
H8    5 H8    4   4.190   6.270    10.00    10.00
H8    5 1H5'  5   2.910   5.700    10.00    10.00
H8    5 H1'   5   3.320   4.030    10.00    10.00
H1'   6 1H2'  5   3.820   5.440    10.00    10.00
H4'   6 H1'   6   3.290   3.820    10.00    10.00
H8    6 H1'   5   3.010   4.850    10.00    10.00
H8    6 H8    5   3.060   6.760    10.00    10.00
H8    6 1H2'  6   2.850   3.680    10.00    10.00
H1'   7 1H2'  6   2.930   3.950    10.00    10.00
H1'   7 H1'   6   4.320   5.950    10.00    10.00
H1'   7 H2    6   2.880   3.270    10.00    10.00
H1'   7 1H5'  7   2.800   5.680    10.00    10.00
H4'   7 H1'   7   2.920   3.520    10.00    10.00
H5    7 H8    6   3.830   6.050    10.00    10.00
H5    7 1H2'  7   3.940   6.540    10.00    10.00
H5    7 H1'   7   3.110   6.660    10.00    10.00
H5    7 H3'   7   2.660   5.440    10.00    10.00
H6    7 H1'   6   4.080   6.590    10.00    10.00
H6    7 1H5'  7   3.460   6.240    10.00    10.00
H6    7 2H5'  7   2.870   3.780    10.00    10.00
H6    7 1H2'  7   2.760   5.390    10.00    10.00
H6    7 H1'   7   3.310   6.190    10.00    10.00
H6    7 H3'   7   2.510   4.070    10.00    10.00
H6    7 H4'   7   3.220   6.260    10.00    10.00
H1'   8 1H2'  7   3.610   5.820    10.00    10.00
H1'   8 H1'   7   3.670   5.400    10.00    10.00
H1'   8 1H5'  8   3.090   5.530    10.00    10.00
H4'   8 H1'   7   3.110   5.540    10.00    10.00
H2    8 1H2'  8   3.640   6.030    10.00    10.00
H2    8 H1'   8   3.890   5.570    10.00    10.00
H8    8 1H2'  7   2.310   3.770    10.00    10.00
H8    8 H1'   7   2.580   6.130    10.00    10.00
H8    8 H3'   7   2.500   2.930    10.00    10.00
H8    8 H5    7   3.370   6.010    10.00    10.00
H8    8 H6    7   2.780   6.300    10.00    10.00
H8    8 1H5'  8   2.900   4.850    10.00    10.00
H8    8 1H2'  8   3.140   5.780    10.00    10.00
H8    8 H1'   8   2.850   3.310    10.00    10.00
1H5'  9 H1'   8   3.140   5.840    10.00    10.00
1H2'  9 H2    8   2.720   4.240    10.00    10.00
H1'   9 1H2'  8   3.080   5.660    10.00    10.00
H1'   9 H1'   8   3.440   5.190    10.00    10.00
H1'   9 H2    8   2.860   3.750    10.00    10.00
H1'   9 1H5'  9   3.320   5.520    10.00    10.00
H1'   9 2H5'  9   2.870   5.660    10.00    10.00
H4'   9 H1'   9   3.070   4.380    10.00    10.00
H5    9 1H2'  8   3.160   5.780    10.00    10.00
H5    9 H1'   8   3.590   5.030    10.00    10.00
H5    9 H3'   8   2.740   3.890    10.00    10.00
H5    9 H4'   8   3.180   4.110    10.00    10.00
H5    9 H2    8   3.620   6.780    10.00    10.00
H5    9 H8    8   3.820   5.700    10.00    10.00
H5    9 2H5'  9   3.160   6.760    10.00    10.00
H5    9 1H2'  9   2.590   2.810    10.00    10.00
H5    9 H1'   9   3.590   6.210    10.00    10.00
H6    9 H1'   8   3.560   5.820    10.00    10.00
H6    9 H3'   8   3.230   5.390    10.00    10.00
H6    9 H8    8   3.510   4.250    10.00    10.00
H6    9 1H5'  9   2.910   4.600    10.00    10.00
H6    9 1H2'  9   3.230   4.490    10.00    10.00
H6    9 H1'   9   2.790   3.130    10.00    10.00
H1'  10 H2    8   3.310   6.340    10.00    10.00
H1'  10 1H2'  9   4.350   5.900    10.00    10.00
H1'  10 1H5' 10   3.700   4.360    10.00    10.00
H1'  10 2H5' 10   3.330   4.020    10.00    10.00
H4'  10 H1'  10   3.060   4.960    10.00    10.00
H5   10 H2    8   4.040   5.880    10.00    10.00
H5   10 1H2'  9   3.430   5.690    10.00    10.00
H5   10 H1'   9   4.130   6.470    10.00    10.00
H5   10 H5    9   3.380   4.900    10.00    10.00
H5   10 H6    9   3.920   5.640    10.00    10.00
H6   10 1H2'  9   2.840   5.780    10.00    10.00
H6   10 H1'   9   2.530   2.860    10.00    10.00
H6   10 H5    9   3.700   6.870    10.00    10.00
H6   10 H6    9   3.060   3.930    10.00    10.00
H6   10 1H5' 10   2.460   3.280    10.00    10.00
H1'  11 1H5' 11   3.210   3.870    10.00    10.00
H5   11 1H5' 10   3.920   6.760    10.00    10.00
H5   11 1H2' 10   3.270   6.780    10.00    10.00
H6   11 H2    8   3.520   6.840    10.00    10.00
H6   11 H3'  11   3.210   6.460    10.00    10.00
H1'  12 1H2' 11   4.250   5.160    10.00    10.00
H1'  12 1H5' 12   3.130   4.300    10.00    10.00
H6   12 H3'  11   2.740   3.700    10.00    10.00
H6   12 H3'  12   2.720   3.420    10.00    10.00
H4'  13 H1'  12   3.730   4.760    10.00    10.00
H4'  13 H1'  13   2.200   2.990    10.00    10.00
H6   13 H1'  12   3.550   4.860    10.00    10.00
H6   13 H6   12   3.160   4.030    10.00    10.00
H6   13 H4'  13   2.640   4.990    10.00    10.00
H1'  14 H5    9   4.180   6.410    10.00    10.00
H1'  14 1H5' 12   2.980   4.120    10.00    10.00
H1'  14 H6   12   3.720   4.580    10.00    10.00
H5   14 H1'  12   3.940   5.460    10.00    10.00
H5   14 H4'  12   4.790   6.920    10.00    10.00
H5   14 1H5' 13   3.130   6.010    10.00    10.00
H5   14 1H2' 13   2.360   2.590    10.00    10.00
H5   14 H1'  13   3.880   6.760    10.00    10.00
H5   14 H3'  13   2.720   6.230    10.00    10.00
H5   14 H4'  13   3.440   6.610    10.00    10.00
H5   14 H5   13   3.180   5.810    10.00    10.00
H5   14 H6   13   3.890   6.070    10.00    10.00
H5   14 H1'  14   3.240   4.110    10.00    10.00
H6   14 H1'  12   4.790   6.850    10.00    10.00
H6   14 1H2' 13   2.880   3.840    10.00    10.00
H6   14 H1'  13   3.770   5.060    10.00    10.00
H6   14 H3'  13   2.790   3.250    10.00    10.00
H6   14 H4'  13   3.490   6.060    10.00    10.00
H6   14 H6   13   3.140   5.730    10.00    10.00
H6   14 1H2' 14   3.680   6.800    10.00    10.00
H6   14 H1'  14   3.310   4.480    10.00    10.00
H1'  15 1H2' 14   3.760   5.400    10.00    10.00
H1'  15 H1'  14   4.040   5.570    10.00    10.00
H8   15 1H2' 14   2.530   5.740    10.00    10.00
H8   15 H1'  14   2.700   5.340    10.00    10.00
H8   15 H6   14   4.130   6.400    10.00    10.00
H8   15 1H2' 15   3.720   6.700    10.00    10.00
H8   15 H1'  15   3.420   4.230    10.00    10.00
H1'  16 H1'  15   4.840   5.950    10.00    10.00
H5   16 1H2' 15   2.720   5.660    10.00    10.00
H5   16 H1'  15   4.220   6.800    10.00    10.00
H5   16 H8   15   3.320   6.260    10.00    10.00
H5   16 H1'  16   5.260   6.640    10.00    10.00
H6   16 1H2' 15   2.220   3.900    10.00    10.00
H6   16 1H2' 16   2.790   4.280    10.00    10.00
H6   16 H4'  16   2.900   4.570    10.00    10.00
1H5' 17 H1'  16   4.550   5.780    10.00    10.00
H1'  17 H1'  16   5.140   5.970    10.00    10.00
H8   17 H1'  16   4.080   6.580    10.00    10.00
H8   17 H5   16   3.920   6.580    10.00    10.00
H8   17 H6   16   3.620   6.640    10.00    10.00
H8   17 1H5' 17   3.620   6.040    10.00    10.00
H8   17 2H5' 17   3.350   5.460    10.00    10.00
H8   17 1H2' 17   3.620   6.010    10.00    10.00
H8   17 H1'  17   3.720   4.340    10.00    10.00
H8   17 H3'  17   2.930   4.440    10.00    10.00
H8   18 1H5' 17   4.040   6.780    10.00    10.00
H8   18 1H2' 17   2.430   2.980    10.00    10.00
H8   18 H1'  17   4.000   5.670    10.00    10.00
H8   18 H8   17   4.060   5.570    10.00    10.00
H8   18 1H2' 18   2.820   3.410    10.00    10.00
H8   18 H1'  18   4.110   5.310    10.00    10.00
H8   19 1H2' 18   2.640   3.470    10.00    10.00
H8   19 H1'  18   4.190   6.180    10.00    10.00
H8   19 H8   18   4.180   6.260    10.00    10.00
H8   19 1H2' 19   3.700   6.270    10.00    10.00
H8   19 H1'  19   3.770   5.340    10.00    10.00
H8   19 H3'  19   2.820   3.250    10.00    10.00
H8   19 H4'  19   5.120   5.430    10.00    10.00
H1'  20 1H5' 20   2.840   5.720    10.00    10.00
H4'  20 1H5' 20   2.500   2.830    10.00    10.00
H6   20 1H5' 20   3.720   4.140    10.00    10.00
H1'  21 1H2' 20   3.250   4.310    10.00    10.00
H1'  21 2H5' 21   4.020   5.620    10.00    10.00
H4'  21 H1'  20   2.790   4.750    10.00    10.00
H4'  21 H1'  21   2.670   3.120    10.00    10.00
H8   21 H1'  19   3.560   5.470    10.00    10.00
H8   21 1H5' 20   3.010   6.140    10.00    10.00
H8   21 H1'  20   3.250   5.770    10.00    10.00
H8   21 H3'  20   2.240   2.630    10.00    10.00
H8   21 H1'  21   3.120   3.570    10.00    10.00
H8   21 H3'  21   3.120   3.830    10.00    10.00
H1'  22 1H2' 21   3.490   4.220    10.00    10.00
H1'  22 H1'  21   5.040   5.660    10.00    10.00
H4'  22 H1'  22   2.960   3.350    10.00    10.00
H2   22 H1'  21   4.560   5.190    10.00    10.00
H2   22 H1'  22   4.120   4.720    10.00    10.00
H8   22 1H2' 21   2.510   3.030    10.00    10.00
H8   22 H1'  21   2.760   4.770    10.00    10.00
H8   22 H3'  21   3.530   6.150    10.00    10.00
H8   22 H8   21   3.600   6.640    10.00    10.00
H8   22 1H5' 22   4.130   6.220    10.00    10.00
H8   22 1H2' 22   3.390   5.850    10.00    10.00
H8   22 H1'  22   3.000   3.340    10.00    10.00
H8   22 H3'  22   2.810   3.300    10.00    10.00
H8   22 H4'  22   4.920   5.360    10.00    10.00
H1'  23 H1'  22   4.470   5.960    10.00    10.00
H1'  23 H2   22   4.720   5.470    10.00    10.00
H1'  23 H8   22   3.310   3.660    10.00    10.00
H4'  23 H1'  22   3.600   4.280    10.00    10.00
H4'  23 H2   22   4.670   6.850    10.00    10.00
H5   23 H3'  22   3.670   6.730    10.00    10.00
H5   23 H8   22   4.010   5.700    10.00    10.00
H5   23 1H2' 23   2.830   5.900    10.00    10.00
H5   23 H1'  23   4.730   6.980    10.00    10.00
H5   23 H3'  23   3.160   5.440    10.00    10.00
H6   23 H1'  22   3.560   6.660    10.00    10.00
H6   23 H3'  22   2.970   4.100    10.00    10.00
H6   23 H8   22   3.580   4.480    10.00    10.00
H6   23 1H2' 23   3.270   5.230    10.00    10.00
H6   23 H1'  23   3.390   4.290    10.00    10.00
H1'  24 H1'  23   4.830   5.910    10.00    10.00
H5   24 1H2' 23   2.770   4.600    10.00    10.00
H5   24 H1'  23   4.900   4.980    10.00    10.00
H5   24 H5   23   3.050   4.420    10.00    10.00
H6   24 H1'  24   3.280   3.730    10.00    10.00
H1'  25 1H2' 24   3.830   5.030    10.00    10.00
H8   25 1H2' 24   3.250   4.850    10.00    10.00
H8   25 H6   24   3.760   5.100    10.00    10.00
H8   25 1H2' 25   2.920   4.320    10.00    10.00
H8   25 H1'  25   3.530   4.550    10.00    10.00
H5   26 1H2' 25   3.490   4.970    10.00    10.00
H5   26 H1'  25   3.910   6.420    10.00    10.00
H5   26 H8   25   4.330   6.270    10.00    10.00
H5   26 H1'  26   4.650   6.660    10.00    10.00
H6   26 1H2' 25   2.630   3.580    10.00    10.00
H6   26 H1'  25   3.340   5.670    10.00    10.00
H6   26 H1'  26   3.250   5.610    10.00    10.00
H1'  27 H2   15   3.550   3.870    10.00    10.00
H1'  27 1H2' 26   4.390   5.610    10.00    10.00
H1'  27 H1'  26   3.940   5.500    10.00    10.00
H4'  27 H1'  27   3.520   4.180    10.00    10.00
H8   27 H1'  26   5.320   6.740    10.00    10.00
H8   27 H5   26   4.750   6.500    10.00    10.00
H8   27 H1'  27   3.180   5.930    10.00    10.00
H1'  28 H2    8   2.870   3.960    10.00    10.00
H4'  28 H1'  28   3.940   5.100    10.00    10.00
H8   28 H2    8   3.200   4.470    10.00    10.00
H8   28 1H2' 27   3.880   5.150    10.00    10.00
H8   28 1H5' 28   2.640   3.190    10.00    10.00
H8   28 H1'  28   3.680   5.370    10.00    10.00
H8   28 H3'  28   4.850   6.090    10.00    10.00
H8   28 H4'  28   4.530   6.200    10.00    10.00
H5   29 H1'  28   4.330   6.870    10.00    10.00
H5   29 H8   28   4.060   6.820    10.00    10.00
H6   29 H1'  28   4.070   6.410    10.00    10.00
H1'  30 1H2' 29   4.330   5.880    10.00    10.00
H4'  30 H1'  30   3.460   3.920    10.00    10.00
H5   30 1H2' 29   3.190   4.740    10.00    10.00
H5   30 H5   29   4.040   4.780    10.00    10.00
H6   30 1H2' 30   2.780   6.520    10.00    10.00
H6   30 H1'  30   3.270   4.050    10.00    10.00
H5   31 H6   30   2.700   5.990    10.00    10.00
H6   31 H1'  31   3.170   4.780    10.00    10.00
H1'  32 H2    3   4.680   5.610    10.00    10.00
H5   32 H6   31   2.670   5.830    10.00    10.00
H5   32 H3'  32   3.680   6.380    10.00    10.00
H6   32 1H2' 31   2.300   3.960    10.00    10.00
H6   32 H1'  31   2.780   6.010    10.00    10.00
H6   32 H1'  32   3.430   3.890    10.00    10.00
H6   32 H3'  32   3.080   3.800    10.00    10.00
1H5' 33 H1'  32   3.900   5.410    10.00    10.00
H1'  33 H2    3   2.990   3.360    10.00    10.00
H6   33 H1'  32   3.800   6.550    10.00    10.00
H6   33 H3'  32   3.290   6.580    10.00    10.00
H6   33 H1'  33   3.180   3.800    10.00    10.00
H1'  34 1H2' 33   3.800   5.800    10.00    10.00
H1'  34 1H5' 34   3.110   4.730    10.00    10.00
H5   34 1H2' 33   2.700   5.610    10.00    10.00
H5   34 H3'  33   4.450   6.170    10.00    10.00
H5   34 H5   33   3.500   4.210    10.00    10.00
H5   34 H6   33   3.910   5.530    10.00    10.00
H5   34 1H2' 34   3.680   6.570    10.00    10.00
H6   34 1H2' 33   2.430   3.350    10.00    10.00
H6   34 H1'  33   3.130   4.980    10.00    10.00
H6   34 H3'  33   2.970   4.800    10.00    10.00
H6   34 H6   33   3.570   6.870    10.00    10.00
H6   34 1H2' 34   2.950   4.150    10.00    10.00
H6   34 H1'  34   3.350   3.960    10.00    10.00
#
# (1b) qualitative distance restraints from the 3D NOESY dataset
#
# from mirror peaks inp= mirr.restr * filter= filter *** Sat Aug 10 19:26:36 2002
#ATOM- i ATOM- j   r_low   r_up     k_low     k_up
H1'  30 H2    6   1.800   6.000    10.00    10.00
H1'  16 H2   15   1.800   6.000    10.00    10.00
H1'   3 H8    4   1.800   6.000    10.00    10.00
1H2'  3 H8    4   1.800   6.000    10.00    10.00
1H2' 16 H8   17   1.800   6.000    10.00    10.00
H4'   5 H8    5   1.800   6.000    10.00    10.00
H3'   5 H8    5   1.800   6.000    10.00    10.00
1H2'  5 H8    5   1.800   6.000    10.00    10.00
H1'  24 H8   25   1.800   6.000    10.00    10.00
1H2' 27 H8   27   1.800   6.000    10.00    10.00
H4'  21 H8   21   1.800   6.000    10.00    10.00
1H2' 21 H8   21   1.800   6.000    10.00    10.00
2H5' 28 H8   28   1.800   6.000    10.00    10.00
H3'   8 H8    8   1.800   6.000    10.00    10.00
H4'   8 H8    8   1.800   6.000    10.00    10.00
H1'   6 H8    6   1.800   6.000    10.00    10.00
H1'   2 H8    3   1.800   6.000    10.00    10.00
1H2'  2 H8    3   1.800   6.000    10.00    10.00
H3'   3 H8    3   1.800   6.000    10.00    10.00
1H2'  3 H8    3   1.800   6.000    10.00    10.00
H1'  15 H6   16   1.800   6.000    10.00    10.00
H1'  16 H6   16   1.800   6.000    10.00    10.00
H1'  23 H6   24   1.800   6.000    10.00    10.00
H5   13 H6   14   1.800   6.000    10.00    10.00
H5   12 H6   14   1.800   6.000    10.00    10.00
H4'   9 H6    9   1.800   6.000    10.00    10.00
H3'   9 H6    9   1.800   6.000    10.00    10.00
1H2'  8 H6    9   1.800   6.000    10.00    10.00
H4'  23 H1'  23   1.800   6.000    10.00    10.00
H4'  33 H1'  33   1.800   6.000    10.00    10.00
H4'  29 H1'  29   1.800   6.000    10.00    10.00
H6   30 H1'  29   1.800   6.000    10.00    10.00
H6   20 H1'  20   1.800   6.000    10.00    10.00
H4'  20 H1'  20   1.800   6.000    10.00    10.00
H2   15 H1'  15   1.800   6.000    10.00    10.00
H2    6 H1'   6   1.800   6.000    10.00    10.00
H4'   8 H1'   8   1.800   6.000    10.00    10.00
H4'  23 H5   23   1.800   6.000    10.00    10.00
1H5' 23 H5   23   1.800   6.000    10.00    10.00
H3'  34 H5   34   1.800   6.000    10.00    10.00
1H2' 11 H5   11   1.800   6.000    10.00    10.00
H3'   9 H5   10   1.800   6.000    10.00    10.00
H6   10 H4'   9   1.800   6.000    10.00    10.00
H6   10 H4'  10   1.800   6.000    10.00    10.00
H6   34 H4'  34   1.800   6.000    10.00    10.00
1H2' 33 1H2' 34   1.800   6.000    10.00    10.00
H6   23 1H2' 22   1.800   6.000    10.00    10.00
H6   20 H3'  20   1.800   6.000    10.00    10.00
1H2' 10 1H5' 10   1.800   6.000    10.00    10.00
H3'  10 1H5' 10   1.800   6.000    10.00    10.00
H6   13 1H5' 13   1.800   6.000    10.00    10.00
H1'  13 1H5' 13   1.800   6.000    10.00    10.00
H6   13 H1'  13   1.800   6.000    10.00    10.00
H4'  12 H1'  12   1.800   6.000    10.00    10.00
H4'  34 H1'  34   1.800   6.000    10.00    10.00
H4'  11 H1'  11   1.800   6.000    10.00    10.00
2H5' 11 H1'  11   1.800   6.000    10.00    10.00
H6   33 1H2' 33   1.800   6.000    10.00    10.00
H6   13 1H2' 12   1.800   6.000    10.00    10.00
H6   13 H3'  13   1.800   6.000    10.00    10.00
H3'  34 H6   34   1.800   6.000    10.00    10.00
H5   32 1H2' 31   1.800   6.000    10.00    10.00
H6   10 1H2' 10   1.800   6.000    10.00    10.00
H5    7 1H2'  6   1.800   6.000    10.00    10.00
H8   27 1H2' 26   1.800   6.000    10.00    10.00
H6   33 1H2' 32   1.800   6.000    10.00    10.00
1H5' 23 H6   23   1.800   6.000    10.00    10.00
H4'  23 H6   23   1.800   6.000    10.00    10.00
2H5' 13 H6   13   1.800   6.000    10.00    10.00
H3'   9 H6   10   1.800   6.000    10.00    10.00
2H5' 10 H6   10   1.800   6.000    10.00    10.00
H3'   6 H5    7   1.800   6.000    10.00    10.00
#
# (2) qualitative restraints involving exchangeable protons
#     observed in the water SSNOESY at 10 oC.
H2   15 H3   26   1.800   3.500    10.00    10.00
1H4  14 H1   27   1.800   3.500    10.00    10.00
1H4  23 H1   18   1.800   3.500    10.00    10.00
H2    3 H3   32   1.800   3.500    10.00    10.00
1H4  31 H1    4   1.800   3.500    10.00    10.00
1H4  30 H1    5   1.800   3.500    10.00    10.00
1H4  24 H1   17   1.800   3.500    10.00    10.00
H2    6 H3   29   1.800   3.500    10.00    10.00
1H4  33 H1    2   1.800   3.500    10.00    10.00
1H4   7 H1   28   1.800   3.500    10.00    10.00
2H4  24 H1   17   1.800   3.500    10.00    10.00
H2   15 H1   25   3.500   5.500    10.00    10.00
H5   34 H1    2   3.500   5.500    10.00    10.00
1H4  23 1H4  24   3.500   5.500    10.00    10.00
1H5' 21 H1   19   3.500   5.500    10.00    10.00
1H2' 17 H1   17   3.500   5.500    10.00    10.00
H1    4 H3   32   3.500   5.500    10.00    10.00
H8   21 H1   19   3.500   5.500    10.00    10.00
H1   18 2H4  24   3.500   5.500    10.00    10.00
2H5' 21 H1   19   3.500   5.500    10.00    10.00
H5   24 H1   18   3.500   5.500    10.00    10.00
H5   23 H1   19   3.500   5.500    10.00    10.00
H1   18 H1   17   3.500   5.500    10.00    10.00
1H4  33 H3   32   3.500   5.500    10.00    10.00
H5    7 H1   28   3.500   5.500    10.00    10.00
H1    5 H1    4   3.500   5.500    10.00    10.00
1H4  23 2H4  24   3.500   5.500    10.00    10.00
H1   18 1H4  24   3.500   5.500    10.00    10.00
1H2' 24 H1   17   3.500   5.500    10.00    10.00
H5   32 H1    4   3.500   5.500    10.00    10.00
1H2' 32 H3   32   3.500   5.500    10.00    10.00
H1   19 H1   18   3.500   5.500    10.00    10.00
1H4  30 H3   29   3.500   5.500    10.00    10.00
1H2' 26 H3   26   3.500   5.500    10.00    10.00
H3   29 H1    5   3.500   5.500    10.00    10.00
2H4  33 H3   32   3.500   5.500    10.00    10.00
1H4  16 H3   26   3.500   5.500    10.00    10.00
2H4  31 H1    5   3.500   5.500    10.00    10.00
H2    3 H1    2   3.500   5.500    10.00    10.00
H1'  26 H3   26   3.500   5.500    10.00    10.00
1H2' 23 H1   18   3.500   5.500    10.00    10.00
2H4  16 H3   26   3.500   5.500    10.00    10.00
H3   26 1H4  14   3.500   5.500    10.00    10.00
H3   32 H1    2   3.500   5.500    10.00    10.00
H1   17 1H4  23   3.500   5.500    10.00    10.00
1H2' 16 H1   25   3.500   5.500    10.00    10.00
H1   28 H2    6   3.500   5.500    10.00    10.00
1H2' 15 H3   26   3.500   5.500    10.00    10.00
H1   17 H1   25   3.500   5.500    10.00    10.00
1H2' 33 H1    2   3.500   5.500    10.00    10.00
H2    3 H1    4   3.500   5.500    10.00    10.00
H1'  23 H1   19   4.500   6.500    10.00    10.00
H1'  29 H3   29   3.500   5.500    10.00    10.00
H5   30 H3   29   3.500   5.500    10.00    10.00
H8   17 H1   25   3.500   5.500    10.00    10.00
H1'  27 H3   26   3.500   5.500    10.00    10.00
H1   28 H2    8   3.500   5.500    10.00    10.00
H6   24 H1   18   3.500   5.500    10.00    10.00
H1'  23 H1   18   4.500   6.500    10.00    10.00
H8   22 H1   18   4.500   6.500    10.00    10.00
H1   27 H3   26   4.500   6.500    10.00    10.00
H1   19 H6   23   3.500   5.500    10.00    10.00
H6   23 H1   18   4.500   6.500    10.00    10.00
2H4  14 H3   26   4.500   6.500    10.00    10.00
H1'   7 H3   29   4.500   6.500    10.00    10.00
H1   27 H2   15   3.500   5.500    10.00    10.00
H6    7 1H4   7   3.500   5.500    10.00    10.00
1H4  31 H3   32   4.500   5.500    10.00    10.00
1H4  23 H5   24   3.500   5.500    10.00    10.00
2H4  30 H1    5   2.000   4.500    10.00    10.00
2H4  31 H1    4   2.000   4.500    10.00    10.00
2H4  16 H1   25   2.000   4.500    10.00    10.00
2H4  23 H1   19   2.000   4.500    10.00    10.00
H1   25 1H4  16   2.000   4.500    10.00    10.00
2H4  23 H1   18   2.000   4.500    10.00    10.00
H2    6 H1    5   2.000   4.500    10.00    10.00
2H4   7 H1   28   2.000   4.500    10.00    10.00
2H4  33 H1    2   2.000   4.500    10.00    10.00
H1'   3 H1    2   3.500   5.500    10.00    10.00
H3'  21 H1   19   2.000   4.500    10.00    10.00
H5   30 H1    5   3.500   5.500    10.00    10.00
H1'   6 H1    5   3.500   5.500    10.00    10.00
H1'  17 H1   25   2.000   4.500    10.00    10.00
2H4  14 H1   27   2.000   4.500    10.00    10.00
H1'   8 H1   28   2.000   4.500    10.00    10.00
H1'  19 H1   18   3.500   5.500    10.00    10.00
H1'   5 H1    4   3.500   5.500    10.00    10.00
H1'  31 H1    5   3.500   5.500    10.00    10.00
H3   26 H1   25   2.000   4.500    10.00    10.00
1H2' 21 H1   19   3.500   5.500    10.00    10.00
H8   22 H1   19   2.000   4.500    10.00    10.00
H3   29 H1   28   2.000   4.500    10.00    10.00
H1'  24 H1   18   2.000   4.500    10.00    10.00
1H4  23 H1   19   2.000   4.500    10.00    10.00
H1   27 H8   15   2.000   4.500    10.00    10.00
H1'  29 H1   28   3.500   5.500    10.00    10.00
H5   16 H1   25   2.000   4.500    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
#
H1'  27 H8   28   5.000  50.000    50.00     0.00
H4'  27 H8   28   5.000  50.000    50.00     0.00
H8   27 H8   28   5.500  50.000    50.00     0.00
H2    8 H8   27   5.500  50.000    50.00     0.00
H8    8 H8   27   5.500  50.000    50.00     0.00
H6   13 1H4  14   5.500  50.000    50.00     0.00
H6   13 2H4  14   5.500  50.000    50.00     0.00
H5    9 H1   27   5.500  50.000    50.00     0.00
H5    9 H1'  27   5.500  50.000    50.00     0.00
H6    9 H1'  27   5.500  50.000    50.00     0.00
H1'   9 H1'  27   5.500  50.000    50.00     0.00
H5    9 H1   28   5.500  50.000    50.00     0.00
H5    9 H1'  28   5.500  50.000    50.00     0.00
H6    9 H1'  28   5.500  50.000    50.00     0.00
H5   13 H2    8   5.500  50.000    50.00     0.00
H6   13 H2    8   5.500  50.000    50.00     0.00
H5   10 H1'  28   5.500  50.000    50.00     0.00
H6   10 H1'  28   5.500  50.000    50.00     0.00
H1'  10 H1'  28   5.500  50.000    50.00     0.00
H1'   8 H1'  28   5.500  50.000    50.00     0.00
H6   10 H5   14   5.500  50.000    50.00     0.00
H6   11 H5   14   5.500  50.000    50.00     0.00
H6   12 H5   14   5.500  50.000    50.00     0.00
H6   10 2H4  14   5.500  50.000    50.00     0.00
H6   11 2H4  14   5.500  50.000    50.00     0.00
1H5' 10 H5   14   5.000  50.000    50.00     0.00
1H5' 11 H5   14   5.000  50.000    50.00     0.00
1H5' 12 H5   14   5.000  50.000    50.00     0.00
1H2' 10 H5   14   4.000  50.000    50.00     0.00
1H2' 11 H5   14   4.000  50.000    50.00     0.00
1H2' 12 H5   14   4.000  50.000    50.00     0.00
H3'  11 H5   14   5.000  50.000    50.00     0.00
H2    8 H5   11   5.500  50.000    50.00     0.00
H2    8 H5   12   5.500  50.000    50.00     0.00
H5   29 H8   27   5.500  50.000    50.00     0.00
H5   13 H1'  14   5.500  50.000    50.00     0.00
H8    1 1H5' 25   6.000  50.000    50.00     0.00
H1'  12 H1'  14   5.500  50.000    50.00     0.00
H1'   8 H6   10   6.000  50.000    50.00     0.00
H2    8 H1'  12   6.000  50.000    50.00     0.00
1H2'  9 H5   11   5.000  50.000    50.00     0.00
1H5'  9 H5   11   6.000  50.000    50.00     0.00
H5    9 H5   11   6.000  50.000    50.00     0.00
H6    9 H5   11   6.000  50.000    50.00     0.00
H1'  13 H8   15   6.000  50.000    50.00     0.00
H2   15 1H5' 28   5.000  50.000    50.00     0.00
H1'  16 1H5' 28   6.000  50.000    50.00     0.00
H2    8 1H5' 27   6.000  50.000    50.00     0.00
H2    8 2H5' 27   6.000  50.000    50.00     0.00
H1'   9 H1   27   6.000  50.000    50.00     0.00
H1'   9 H1   28   6.000  50.000    50.00     0.00
H1'   9 H8   27   6.000  50.000    50.00     0.00
H5   12 H8   15   6.000  50.000    50.00     0.00
H4'   1 H5   20   6.000 150.000    50.00     0.00
H2    8 1H5' 10   6.000  50.000    50.00     0.00
1H5' 10 H1'  28   6.000  50.000    50.00     0.00
H1'  13 1H4  14   5.000  50.000    50.00     0.00
H1'  13 2H4  14   5.000  50.000    50.00     0.00
H1'   1 H4'  17   6.000 150.000    50.00     0.00
H4'   1 H1'  17   6.000 150.000    50.00     0.00
1H5'  2 H1'  17   6.000 150.000    50.00     0.00
H1'   1 1H5' 18   6.000 150.000    50.00     0.00
1H5'  2 H1'  26   6.000 150.000    50.00     0.00
H1'   9 H1'  14   6.000  50.000    50.00     0.00
H6    9 H1'  14   6.000  50.000    50.00     0.00
H1'   9 H6   14   6.000  50.000    50.00     0.00
H5    9 2H5' 15   5.000  50.000    50.00     0.00
H5    9 H4'  15   6.000  50.000    50.00     0.00
H5    9 H1'  15   6.000  50.000    50.00     0.00
H6    9 H1'  15   6.000  50.000    50.00     0.00
H6    9 H4'  15   6.000  50.000    50.00     0.00
H6    9 2H5' 15   6.000  50.000    50.00     0.00
H1'   9 H6   11   6.000  50.000    50.00     0.00
H1'   9 H5   11   5.000  50.000    50.00     0.00
H1'   9 H1'  11   4.000  50.000    50.00     0.00
H1'  11 H6   14   5.000  50.000    50.00     0.0
H1'   8 H5   10   5.000  50.000    50.00     0.0
2H5'  8 H5   10   5.000  50.000    50.00     0.0
H2    8 H6   10   5.000  50.000    50.00     0.0
H5   24 H5   26   5.000  50.000    50.00     0.0
H3'   2 H5   11   6.000  50.000    50.00     0.0
1H2'  2 H5   11   6.000  50.000    50.00     0.0
H4'  16 H1'  29   5.000  50.000    50.00     0.0
H4'  15 H1'  28   6.000  50.000    50.00     0.0
1H2' 15 H1'  28   6.000  50.000    50.00     0.0
H1'  10 H1'  15   5.000  50.000    50.00     0.00
1H2' 10 H1'  15   5.000  50.000    50.00     0.00
H4'  10 H1'  15   5.000  50.000    50.00     0.00
#
# (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 m200_feb06.mardilist by mardi.in   Thu Feb  6 14:27:34 2003
MIXING TIME: 0.2
ATOM1   ATOM2   INTENSITY   ERROR    Note    
H1'   1 1H2'  1   1.206e+08   15.0
H1'   1 H4'   1   5.107e+07   36.6
H1'   1 H8    1   6.928e+07   15.0
H8    1 1H2'  1   7.884e+07   15.0
1H2'  1 H8    2   7.602e+07   17.0
H1'   1 H8    2   5.740e+07   22.2
H8    1 H8    2   2.538e+07   15.0
H1'   2 1H2'  1   1.577e+07   15.0
H1'   2 1H2'  2   4.798e+07   15.0
H1'   2 H8    2   3.323e+07   15.0
H4'   2 H1'   2   1.827e+07   15.0
H1'   2 H8    3   1.326e+07   15.0
H1'   3 H2    3   1.864e+07   22.9
H1'   3 H8    3   2.805e+07   19.1
H4'   3 H1'   3   2.216e+07   15.0
H1'   3 H8    4   1.920e+07   15.0
H2    3 1H2'  4   1.944e+07   15.0
H2    3 H1'   4   1.886e+08   20.5
H2    3 H8    4   1.864e+07   15.0
H2    3 1H2' 32   1.727e+07   26.5
H2    3 H1'  32   1.761e+07   15.0
H2    3 H1'  33   1.800e+08   15.0
H8    4 H8    3   8.854e+06   15.0
1H2'  4 H8    4   2.573e+07   15.0
1H5'  4 H8    4   5.917e+07   15.0
2H5'  4 H8    4   4.702e+07   15.0
H1'   4 1H2'  4   1.890e+08   31.2
H1'   4 H8    4   6.419e+07   20.9
H3'   4 H1'   4   5.896e+07   15.0
H3'   4 H8    4   8.605e+07   15.0
H4'   4 H1'   4   7.935e+07   15.0
H4'   4 H8    4   4.103e+07   19.4
H1'   4 H8    5   5.797e+07   15.0
H3'   4 H8    5   6.386e+07   15.0
H8    4 H8    5   1.711e+07   15.0
1H5'  5 H8    5   6.729e+07   15.0
H1'   5 H8    5   6.604e+07   15.0
1H2'  5 H1'   6   2.050e+07   46.2
H1'   5 H8    6   6.402e+07   15.0
H8    5 H8    6   1.307e+07   36.2
H1'   6 H4'   6   8.276e+07   15.0
H1'   6 H1'   7   2.051e+07   25.2
H1'   6 H6    7   4.858e+07   15.0
H2    6 H1'   7   2.020e+08   15.0
H8    6 H5    7   3.538e+07   15.0
H1'   7 1H2'  6   6.149e+07   15.0
H5    7 H1'   6   1.679e+07   15.0
1H2'  7 H6    7   6.298e+07   15.0
1H5'  7 H6    7   5.631e+07   15.0
2H5'  7 H6    7   1.984e+07   15.0
H1'   7 1H2'  7   2.932e+08   15.0
H1'   7 H3'   7   7.130e+07   15.0
H1'   7 H4'   7   7.886e+07   15.0
H1'   7 H5    7   2.437e+07   20.6
H1'   7 H6    7   7.467e+07   15.0
H3'   7 H5    7   4.356e+07   38.2
H3'   7 H6    7   1.679e+08   15.0
H4'   7 H6    7   4.098e+07   15.0
H5    7 1H2'  7   1.810e+07   15.0
H5    7 H6    7   4.137e+08   15.0
1H2'  7 H1'   8   6.084e+07   26.6
1H2'  7 H8    8   3.263e+08   15.0
H1'   7 H1'   8   2.303e+07   25.5
H1'   7 H4'   8   5.654e+07   15.0
H1'   7 H8    8   6.725e+07   15.0
H3'   7 H8    8   2.074e+08   15.4
H5    7 H8    8   2.024e+07   15.0
H6    7 H8    8   4.214e+07   15.0
H1'   7 H1'  30   9.993e+06   15.8
1H2'  8 H8    8   1.208e+08   15.0
1H5'  8 H8    8   8.145e+07   15.0
H1'   8 1H2'  8   4.628e+08   15.0
H1'   8 1H5'  8   2.521e+07   15.0
H1'   8 H2    8   4.494e+07   15.0
H1'   8 H8    8   1.138e+08   15.0
H2    8 1H2'  8   3.357e+07   15.6
1H2'  8 H5    9   1.015e+08   15.0
H1'   8 H1'   9   3.609e+07   15.0
H1'   8 H5    9   2.732e+07   15.0
H1'   8 H6    9   7.560e+07   15.0
H2    8 H1'   9   2.531e+08   15.0
H2    8 H4'   9   1.582e+07   15.0
H2    8 H6    9   2.448e+07   15.0
H8    8 H5    9   6.191e+07   15.0
H8    8 H6    9   4.276e+07   19.3
H2    8 H1'  10   4.833e+06   18.0
H2    8 H5   10   1.526e+07   20.8
H2    8 H6   11   1.085e+08   15.0
H2    8 H1'  28   7.635e+07   46.7
H2    8 H8   28   3.691e+07   15.0
1H2'  9 H2    8   2.109e+07   15.0
1H5'  9 H1'   8   2.188e+07   15.0
H5    9 H2    8   6.665e+06   15.0
H5    9 H3'   8   6.916e+07   15.0
H5    9 H4'   8   9.486e+07   15.0
H6    9 1H2'  8   4.678e+08   15.0
1H2'  9 H5    9   1.210e+08   15.0
1H2'  9 H6    9   6.199e+08   15.0
1H5'  9 H6    9   7.858e+07   15.0
H1'   9 1H2'  9   5.008e+08   15.0
H1'   9 1H5'  9   3.517e+07   15.0
H1'   9 H5    9   3.715e+07   15.0
H1'   9 H6    9   1.753e+08   15.0
H5    9 H6    9   8.400e+08   15.0
H6    9 H3'   9   3.403e+08   15.0
1H2'  9 H1'  10   2.248e+07   15.0
1H2'  9 H5   10   6.720e+07   15.0
1H2'  9 H6   10   2.408e+08   26.0
1H5'  9 H6   10   3.793e+07   15.0
H1'   9 1H5' 10   1.343e+07   29.1
H1'   9 H5   10   4.433e+07   15.0
H1'   9 H6   10   7.452e+07   15.0
H4'   9 H5   10   5.955e+07   15.0
H5    9 H5   10   6.093e+07   15.0
H6    9 H5   10   4.885e+07   15.0
H6    9 H6   10   5.990e+07   15.0
H5    9 H1'  14   1.957e+07   17.1 Pk1: ??
H1'   9 H1'  28   7.490e+06   15.0
1H5' 10 H6    9   3.471e+07   15.0
2H5' 10 H1'   9   1.164e+07   15.0
2H5' 10 H6    9   1.825e+07   15.0
H6   10 H5    9   1.136e+07   15.0
H1'  10 1H2' 10   1.097e+09   15.0
H1'  10 1H5' 10   6.509e+07   15.0
H1'  10 H4'  10   2.979e+08   26.4
1H5' 10 H5   11   3.532e+07   15.0
H3'  11 H6   11   4.384e+08   15.0
H5   11 H6   11   1.136e+09   15.0
1H2' 11 H1'  12   4.904e+07   15.0
H3'  11 H6   12   2.410e+08   15.0
1H2' 11 H1'  14   2.300e+07   15.0
1H5' 12 H1'  12   3.172e+07   15.0
H3'  12 H1'  12   7.933e+07   15.0
H1'  12 H6   13   5.043e+07   15.0
1H5' 12 H1'  14   2.824e+07   15.0
H1'  12 H6   14   1.761e+07   15.0
H4'  12 H5   14   2.625e+07   15.0
H6   12 H1'  14   3.977e+07   15.0
1H2' 13 H1'  12   4.677e+07   15.0
H4'  13 H1'  12   5.262e+07   15.0
H6   13 H6   12   6.236e+07   15.0
H4'  13 H6   13   5.826e+07   15.0
1H2' 13 H6   14   3.097e+08   15.0
1H5' 13 H5   14   1.696e+07   15.0
H1'  13 H6   14   7.828e+07   15.0
H3'  13 H6   14   6.657e+07   15.0
H4'  13 H5   14   3.170e+07   30.2
H4'  13 H6   14   6.122e+07   15.0
H6   13 H5   14   5.868e+07   15.0
H6   13 H6   14   6.067e+07   30.4
H4'  14 H1'  11   2.926e+07   15.0
H5   14 1H2' 13   1.455e+08   15.0
H5   14 H1'  13   3.556e+07   15.0
H5   14 H3'  13   9.428e+07   15.0
H5   14 H5   13   2.039e+07   15.0
H1'  14 1H2' 14   1.634e+08   48.5
H1'  14 H6   14   8.753e+07   15.0
H4'  14 H1'  14   1.164e+08   15.0
H5   14 H1'  14   2.965e+07   15.0
H5   14 H6   14   5.621e+08   15.0
H6   14 1H2' 14   1.517e+07   15.0
1H2' 14 H1'  15   3.252e+07   46.0
1H2' 14 H8   15   1.309e+08   18.9
H1'  14 H1'  15   2.088e+07   36.6
H1'  14 H8   15   6.008e+07   25.6
H6   14 H8   15   2.500e+07   15.0
H1'  15 H2   15   1.647e+07   15.0
H1'  15 H8   15   5.169e+07   15.5
H8   15 1H2' 15   3.009e+07   15.0
1H2' 15 H5   16   6.738e+07   26.9
H1'  15 H5   16   2.316e+07   15.2
H1'  15 H6   16   3.410e+07   15.0
H8   15 H5   16   2.668e+07   22.5
H2   15 H1'  27   9.430e+07   15.0
H1'  16 H1'  15   1.562e+07   15.0
H6   16 H8   15   1.511e+07   15.0
1H2' 16 H6   16   8.154e+07   15.0
H1'  16 H5   16   1.968e+07   15.0
H5   16 H6   16   3.269e+08   15.0
H1'  16 H1'  17   1.131e+07   15.0
H1'  16 H8   17   8.215e+07   15.0
H5   16 H8   17   1.515e+07   15.0
H6   16 H8   17   2.020e+07   15.0
1H5' 17 H1'  16   1.662e+07   15.0
1H2' 17 H1'  17   1.841e+08   15.0
1H2' 17 H8   17   4.223e+07   15.0
1H5' 17 H8   17   2.288e+07   15.0
2H5' 17 H8   17   5.452e+07   15.0
H1'  17 H8   17   5.866e+07   15.0
H3'  17 H8   17   7.416e+07   60.4
1H2' 17 H8   18   2.459e+08   15.0
H1'  17 H8   18   6.795e+07   15.0
H8   17 H8   18   2.248e+07   15.0
1H5' 18 H8   18   2.425e+07   15.0
H1'  18 H8   18   5.069e+07   15.0
H4'  18 H8   18   1.703e+07   15.0
H8   18 1H2' 18   1.054e+08   15.0
1H2' 18 H8   19   1.915e+08   32.5
H1'  18 H8   19   5.356e+07   15.0
H8   18 H8   19   2.618e+07   18.9
1H2' 19 H8   19   7.116e+07   15.0
1H5' 19 H8   19   3.037e+07   15.0
H1'  19 H8   19   6.253e+07   15.0
H3'  19 H8   19   1.578e+08   15.0
H4'  19 H8   19   3.397e+07   25.1
H1'  19 H8   21   5.607e+07   15.0
2H5' 20 H8   19   1.388e+07   15.0
H5   20 H8   19   2.122e+07   15.0
1H5' 20 H6   20   1.150e+08   15.0
2H5' 20 1H5' 20   8.646e+08   15.0
H1'  20 1H5' 20   5.970e+07   15.0
H4'  20 1H5' 20   5.506e+08   15.0
1H2' 20 H1'  21   1.635e+08   15.0
1H5' 20 H8   21   6.182e+07   15.0
H1'  20 H8   21   5.764e+07   31.0
H3'  20 H8   21   4.132e+08   15.0
H1'  21 2H5' 21   2.077e+07   32.6
H1'  21 H3'  21   5.326e+07   15.0
H1'  21 H8   21   1.318e+08   15.0
H8   21 H3'  21   9.645e+07   15.0
1H2' 21 H8   22   3.114e+08   15.0
H1'  21 H1'  22   1.997e+07   15.0
H1'  21 H2   22   2.004e+07   15.0
H1'  21 H8   22   8.683e+07   15.0
H3'  21 H8   22   4.668e+07   48.0
H8   21 H8   22   2.844e+07   15.0
H1'  22 1H2' 21   5.422e+07   15.0
1H2' 22 H2   22   1.578e+07   15.0
1H2' 22 H3'  22   1.028e+08   20.4
1H2' 22 H8   22   5.688e+07   15.0
1H5' 22 H8   22   3.153e+07   15.0
H1'  22 1H2' 22   3.129e+08   15.0
H1'  22 H2   22   3.242e+07   15.0
H1'  22 H3'  22   7.066e+07   30.8
H1'  22 H4'  22   1.165e+08   15.0
H1'  22 H8   22   1.185e+08   15.0
H3'  22 H8   22   1.319e+08   23.6
H4'  22 H8   22   3.797e+07   33.1
1H2' 22 H1'  23   3.502e+07   15.0
H1'  22 H1'  23   3.085e+07   15.0
H1'  22 H6   23   1.639e+07   15.4
H3'  22 H5   23   4.117e+07   44.1
H3'  22 H6   23   8.122e+07   28.9
H8   22 H1'  23   8.119e+07   15.0
H8   22 H5   23   3.308e+07   24.1
H8   22 H6   23   5.017e+07   15.0
H1'  23 H2   22   1.644e+07   15.0
1H2' 23 H6   23   5.621e+07   15.0
1H5' 23 H5   23   5.359e+07   15.0
2H5' 23 H5   23   5.891e+07   15.0
2H5' 23 H6   23   2.862e+08   15.0
H1'  23 H5   23   2.112e+07   16.5
H1'  23 H6   23   7.201e+07   15.0
H3'  23 H5   23   4.654e+07   15.4
H3'  23 H6   23   2.047e+08   15.0
H5   23 1H2' 23   1.902e+07   15.0
H5   23 H6   23   6.563e+08   15.0
1H2' 23 H5   24   1.768e+08   15.7
H1'  23 H1'  24   1.978e+07   15.0
H1'  23 H5   24   1.207e+07   15.0
H3'  23 H5   24   8.514e+07   15.0
H5   23 H5   24   5.694e+07   15.0
H5   23 H6   24   2.196e+07   15.0
H1'  24 1H2' 24   1.493e+08   45.6
H5   24 H6   24   4.958e+08   15.0
H6   24 H1'  24   9.966e+07   15.0
1H2' 24 H1'  25   3.515e+07   16.8
1H2' 24 H8   25   1.485e+08   20.2
H8   25 H6   24   3.972e+07   15.0
1H2' 25 H8   25   1.302e+08   25.6
1H5' 25 H8   25   3.285e+07   15.0
H1'  25 1H2' 25   1.755e+08   30.7
H1'  25 H8   25   5.502e+07   15.0
H4'  25 H1'  25   2.978e+07   15.0
1H2' 25 H1'  26   2.203e+07   15.0
1H2' 25 H5   26   6.900e+07   25.6
1H2' 25 H6   26   1.269e+08   25.1
H8   25 H5   26   2.253e+07   26.1
H1'  26 H1'  17   5.616e+06   15.0
H5   26 H1'  25   2.024e+07   15.0
H6   26 H1'  25   3.911e+07   15.0
1H5' 26 H1'  26   9.573e+06   15.0
H1'  26 H5   26   2.185e+07   15.0
H1'  26 H6   26   5.200e+07   15.0
H5   26 H6   26   2.933e+08   15.0
1H2' 26 H1'  27   2.563e+07   15.0
H5   26 H8   27   2.079e+07   15.0
H1'  27 H1'  26   1.845e+07   15.0
H8   27 H1'  26   3.195e+07   15.0
H1'  27 1H2' 27   2.156e+08   25.6
H1'  27 H4'  27   8.690e+07   15.0
H1'  27 H8   27   7.330e+07   15.0
1H2' 27 H8   28   2.244e+07   15.0
1H5' 28 H8   28   8.357e+07   15.0
2H5' 28 H8   28   4.833e+07   15.0
H1'  28 H4'  28   4.627e+07   18.3
H1'  28 H8   28   6.454e+07   15.0
H3'  28 H8   28   2.396e+07   15.0
H4'  28 H8   28   2.935e+07   28.2
H1'  28 H5   29   2.691e+07   15.0
H1'  28 H6   29   4.289e+07   15.0
H8   28 H5   29   2.282e+07   15.0
H1'  29 H2    6   2.680e+07   15.0
H1'  29 H1'  28   6.858e+06   15.0
H6   29 H3'  28   5.352e+07   15.0
H1'  29 1H2' 29   9.831e+07   33.4
H5   29 H6   29   2.057e+08   15.0
H5   29 H5   30   3.946e+07   15.0
H1'  30 1H2' 29   2.747e+07   15.0
H5   30 1H2' 29   5.419e+07   15.0
1H2' 30 H1'  30   1.790e+08   15.0
1H2' 30 H6   30   4.938e+07   15.0
2H5' 30 H1'  30   1.786e+07   15.0
H1'  30 H6   30   6.964e+07   15.0
H4'  30 H1'  30   7.675e+07   15.0
H6   30 H5   31   2.709e+07   15.9
H1'  31 H6   31   7.217e+07   15.0
H3'  31 H1'  31   5.659e+07   15.0
H5   31 H6   31   4.192e+08   15.0
1H2' 31 H6   32   2.233e+08   15.0
H1'  31 H6   32   7.338e+07   15.0
H6   31 H5   32   2.673e+07   15.0
H1'  32 H1'   5   1.229e+07   15.0
1H5' 32 H1'  31   1.118e+07   15.0
H5   32 H5   31   3.134e+07   15.0
H1'  32 H6   32   7.589e+07   15.0
H3'  32 H6   32   7.910e+07   15.0
H5   32 H3'  32   3.567e+07   15.0
H5   32 H6   32   4.212e+08   15.0
H1'  32 H6   33   5.718e+07   15.0
H3'  32 H6   33   2.771e+07   15.0
H5   32 H5   33   2.938e+07   15.0
1H2' 33 H2    3   1.195e+07   15.0
1H5' 33 H1'  32   2.069e+07   15.0
H5   33 H6   32   1.050e+08   15.0
H1'  33 1H2' 33   2.516e+08   15.0
H1'  33 1H5' 33   3.641e+07   15.0
H1'  33 H6   33   7.656e+07   15.9
H4'  33 H1'  33   6.149e+07   15.0
H5   33 H6   33   4.637e+08   15.0
1H2' 33 H1'  34   4.347e+07   33.8
1H2' 33 H5   34   1.298e+08   19.8
1H2' 33 H6   34   3.693e+08   15.0
H1'  33 H6   34   8.162e+07   15.0
H3'  33 H5   34   3.773e+07   15.0
H3'  33 H6   34   1.136e+08   15.0
H5   33 H5   34   4.128e+07   30.1
H4'  34 H1'  33   1.088e+07   15.0
H5   34 H6   33   3.936e+07   15.0
H6   34 H6   33   2.847e+07   15.0
1H2' 34 H5   34   3.875e+07   15.0
1H2' 34 H6   34   1.634e+08   15.0
1H5' 34 H6   34   4.513e+07   15.0
H1'  34 1H2' 34   4.452e+08   15.0
H1'  34 1H5' 34   4.285e+07   15.0
H1'  34 H5   34   2.560e+07   15.0
H1'  34 H6   34   1.050e+08   15.0
H5   34 H6   34   5.541e+08   15.0
H1'  27 H8   28   1.000e+01
H4'  27 H8   28   1.000e+01
H8   27 H8   28   1.000e+01
H2    8 H8   27   1.000e+01
H8    8 H8   27   1.000e+01
H6   13 H41  14   1.000e+01
H6   13 H42  14   1.000e+01
H5    9 H1   27   1.000e+01
H5    9 H1'  27   1.000e+01
H6    9 H1'  27   1.000e+01
H1'   9 H1'  27   1.000e+01
H5    9 H1   28   1.000e+01
H5    9 H1'  28   1.000e+01
H6    9 H1'  28   1.000e+01
H5   13 H2    8   1.000e+01
H6   13 H2    8   1.000e+01
H5   10 H1'  28   1.000e+01
H6   10 H1'  28   1.000e+01
H1'  10 H1'  28   1.000e+01
H1'   8 H1'  28   1.000e+01
H6   10 H5   14   1.000e+01
H6   11 H5   14   1.000e+01
H6   12 H5   14   1.000e+01
H6   10 H42  14   1.000e+01
H6   11 H42  14   1.000e+01
1H5' 10 H5   14   1.000e+01
1H5' 11 H5   14   1.000e+01
1H5' 12 H5   14   1.000e+01
1H2' 10 H5   14   1.000e+01
1H2' 11 H5   14   1.000e+01
1H2' 12 H5   14   1.000e+01
H3'  11 H5   14   1.000e+01
H2    8 H5   11   1.000e+01
H2    8 H5   12   1.000e+01
H5   29 H8   27   1.000e+01
H5   13 H1'  14   1.000e+01
H5   12 H6   14   1.000e+01
H8    1 1H5' 25   1.000e+01
H1'  12 H1'  14   1.000e+01
H1'   8 H6   10   1.000e+01
H2    8 H1'  12   1.000e+01
1H2'  9 H5   11   1.000e+01
1H5'  9 H5   11   1.000e+01
H5    9 H5   11   1.000e+01
H6    9 H5   11   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 1H5' 27   1.000e+01
H2    8 2H5' 27   1.000e+01
H1'   9 H1   27   1.000e+01
H1'   9 H1   28   1.000e+01
H1'   9 H8   27   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'  13 1H4  14   1.000e+01
H1'  13 2H4  14   1.000e+01
H1'   1 H4'  17   1.000e+01
H4'   1 H1'  17   1.000e+01
1H5'  2 H1'  17   1.000e+01
H1'   1 1H5' 18   1.000e+01
1H5'  2 H1'  26   1.000e+01
H1'   9 H1'  14   1.000e+01
H6    9 H1'  14   1.000e+01
H1'   9 H6   14   1.000e+01
H5    9 2H5' 15   1.000e+01
H5    9 H4'  15   1.000e+01
H5    9 H1'  15   1.000e+01
H6    9 H1'  15   1.000e+01
H6    9 H4'  15   1.000e+01
H6    9 2H5' 15   1.000e+01
H1'   9 H6   11   1.000e+01
H1'   9 H5   11   1.000e+01
H1'   9 H1'  11   1.000e+01
H1'  11 H6   14   1.000e+01
H1'   8 H5   10   1.000e+01
2H5'  8 H5   10   1.000e+01
H2    8 H6   10   1.000e+01
H5   24 H5   26   1.000e+01
H3'   2 H5   11   1.000e+01
1H2'  2 H5   11   1.000e+01
H4'  16 H1'  29   1.000e+01
H4'  15 H1'  28   1.000e+01
1H2' 15 H1'  28   1.000e+01
H1'  10 H1'  15   1.000e+01
1H2' 10 H1'  15   1.000e+01
H4'  10 H1'  15   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      6.180    2.940  1.00
   15    A       C8    15    A       H8    -30.820    1.000  1.00
   22    A       C2    22    A       H2    -43.260    1.635  1.00
   22    A       C8    22    A       H8    -39.720    1.055  1.00
    3    A       C2     3    A       H2     45.820    1.000  1.00
    6    A       C2     6    A       H2    -42.350    1.000  1.00
    8    A       C2     8    A       H2     28.360    1.000  1.00
    8    A       C8     8    A       H8     -0.500    1.000  1.00
   10    C       C6    10    C       H6     -4.250    1.000  1.00
   11    C       C6    11    C       H6    -23.860    1.000  1.00
   12    C       C6    12    C       H6     -3.960    1.000  1.00
   14    C       C5    14    C       H5     35.540    1.000  1.00
   14    C       C6    14    C       H6      5.050    1.780  1.00
   16    C       C5    16    C       H5     13.100    1.885  1.00
   16    C       C6    16    C       H6    -53.290    1.000  1.00
   23    C       C5    23    C       H5    -32.570    1.470  1.00
   24    C       C5    24    C       H5    -19.180    1.000  1.00
   30    C       C5    30    C       H5     34.020    3.035  1.00
   31    C       C5    31    C       H5     31.790    1.210  1.00
   33    C       C5    33    C       H5    -20.620    1.000  1.00
   34    C       C5    34    C       H5    -28.100    1.000  1.00
   34    C       C6    34    C       H6     57.000    3.775  1.00
    7    C       C5     7    C       H5    -29.930    1.440  1.00
    7    C       C6     7    C       H6     33.160    1.360  1.00
   17    G       C8    17    G       H8    -54.060    2.540  1.00
   18    G       C8    18    G       H8    -34.740    3.245  1.00
    1    G       C8     1    G       H8     49.760    6.335  1.00
   25    G       C8    25    G       H8    -54.060    1.000  1.00
   28    G       C8    28    G       H8     21.980    1.000  1.00
    2    G       C8     2    G       H8     47.180    1.000  1.00
    5    G       C8     5    G       H8    -48.780    1.885  1.00
   13    U       C5    13    U       H5     -4.940    1.000  1.00
   13    U       C6    13    U       H6     32.110    1.000  1.00
   20    U       C5    20    U       H5     16.720    1.885  1.00
   20    U       C6    20    U       H6     -4.410    1.000  1.00
   26    U       C5    26    U       H5    -38.960    2.410  1.00
   29    U       C5    29    U       H5     11.390    1.000  1.00
   32    U       C5    32    U       H5     -8.470    2.160  1.00
    9    U       C5     9    U       H5     27.320    1.580  1.00
    9    U       C6     9    U       H6    -29.610    1.000  1.00
   15    A       C1'   15    A       H1'    79.470    1.000  1.00
   15    A       C3'   15    A       H3'    31.500    1.210  1.00
   22    A       C1'   22    A       H1'    -0.940    1.000  1.00
   22    A       C2'   22    A       H2'    52.470    2.710  1.00
   22    A       C3'   22    A       H3'     9.480    1.000  1.00
    3    A       C1'    3    A       H1'    47.790    2.185  1.00
    3    A       C2'    3    A       H2'   -28.100    1.000  1.00
    6    A       C1'    6    A       H1'   -31.410    2.565  1.00
    8    A       C1'    8    A       H1'   -30.530    1.000  1.00
   10    C       C1'   10    C       H1'   -14.670    1.000  1.00
   11    C       C1'   11    C       H1'    -7.430    1.000  1.00
   11    C       C3'   11    C       H3'   -14.200    1.000  1.00
   11    C       C4'   11    C       H4'    -5.760    1.000  1.00
   12    C       C1'   12    C       H1'    -3.350    1.000  1.00
   12    C       C2'   12    C       H2'   -11.340    1.890  1.00
   14    C       C3'   14    C       H3'    -4.100    1.000  1.00
   23    C       C1'   23    C       H1'     9.770    1.000  1.00
   30    C       C1'   30    C       H1'   -31.720    1.000  1.00
   31    C       C1'   31    C       H1'   -34.140    1.000  1.00
   33    C       C1'   33    C       H1'   -34.730    1.000  1.00
   33    C       C2'   33    C       H2'    -4.710    1.000  1.00
   34    C       C2'   34    C       H2'    -6.070    1.000  1.00
   34    C       C3'   34    C       H3'   -29.150    1.000  1.00
   34    C       C4'   34    C       H4'   -29.300    1.000  1.00
    7    C       C1'    7    C       H1'   -37.000    1.000  1.00
    7    C       C3'    7    C       H3'   -35.330    1.000  1.00
   19    G       C1'   19    G       H1'   -38.820    1.000  1.00
   19    G       C4'   19    G       H4'   -47.100    1.000  1.00
    1    G       C2'    1    G       H2'     9.020    1.000  1.00
   21    G       C1'   21    G       H1'    37.370    1.055  1.00
   27    G       C1'   27    G       H1'   -45.750    1.000  1.00
   27    G       C2'   27    G       H2'   -48.610    1.000  1.00
   27    G       C3'   27    G       H3'    -3.800    1.000  1.00
   27    G       C4'   27    G       H4'   -30.800    1.810  1.00
    2    G       C1'    2    G       H1'    47.640    1.000  1.00
    4    G       C1'    4    G       H1'    40.250    1.000  1.00
   13    U       C1'   13    U       H1'    29.690    1.350  1.00
   13    U       C4'   13    U       H4'   -20.400    1.000  1.00
   20    U       C1'   20    U       H1'    54.130    2.715  1.00
   20    U       C3'   20    U       H3'    12.190    1.000  1.00
   20    U       C4'   20    U       H4'   -23.410    1.000  1.00
   29    U       C1'   29    U       H1'   -29.760    1.000  1.00
    9    U       C1'    9    U       H1'    -9.090    1.000  1.00
    9    U       C2'    9    U       H2'    -8.170    1.000  1.00
    9    U       C3'    9    U       H3'    -9.680    1.000  1.00
    9    U       C4'    9    U       H4'   -10.900    1.585  1.00
#
#  (7) Table of chemical shifts.
#
#  "nd" stands for "not determined"; "na" stands for "non applicable"
#
# (7a) Proton chemical shifts. Non-exchangeable protons at 25 deg; iminos/aminos at 10 deg.
#
Res H6/H8 H2/H5 H1' H2' H3' H4' H5'/H5"  imino amino
G1 8.16 na 5.85 4.96 4.72 4.58 4.28/4.42 nd nd
G2 7.53 na 5.92 4.67 4.62 4.58 4.52/4.25 12.44 nd
A3 7.76 7.48 6.01 4.69 4.64 4.53 4.63/4.18 na nd
G4 7.07 na 5.63 4.55 4.40 4.46 4.44/4.06 12.80 nd
G5 7.16 na 5.71 4.55 4.49 4.48 4.46/4.06 12.53 nd
A6 7.81 7.82 5.99 4.59 4.58 4.49 4.60/4.17 na nd
C7 7.25 5.19 5.33 4.45 4.28 4.39 4.43/4.04 na 8.06/7.02
A8 7.87 7.24 5.90 4.33 4.40 4.40 4.42/4.04 na nd
U9 7.36 5.23 5.41 4.03 4.34 4.24 4.25/3.95 nd na
C10 7.73 5.78 5.70 4.33 4.35 4.29 4.18/3.97 na nd
C11 7.76 5.81 5.69 4.37 4.41 4.33 4.26/4.06 na nd
C12 7.73 5.79 5.67 4.31 4.45 4.29 4.25/4.08 na nd
U13 7.85 5.79 5.78 4.46 4.44 4.51 4.35/4.12 nd na
C14 8.12 6.04 5.57 4.53 4.71 4.48 4.54/4.15 na 8.57/7.38
A15 8.32 7.63 6.06 4.56 4.84 4.55 4.64/4.24 na nd
C16 7.64 5.32 5.53 4.39 4.42 4.45 4.47/4.06 na 8.32/6.94
G17 7.53 na 5.76 4.50 4.64 4.39 4.53/4.13 12.43 nd
G18 7.18 na 5.78 4.58 4.58 4.46 4.37/4.12 13.12 nd
G19 7.11 na 5.78 4.39 4.50 4.34 4.42/4.07 10.83 nd
U20 7.76 5.44 5.43 4.37 4.15 4.08 4.17/3.84 nd na
G21 7.78 na 5.50 4.32 4.67 4.30 3.95/4.09 10.54 6.19
A22 8.28 8.27 6.15 4.53 4.97 4.48 4.54/4.28 na nd
C23 7.93 6.10 3.95 4.36 4.07 4.21 4.29/4.20 na 8.78/7.10
C24 7.79 5.65 5.54 4.60 4.50 4.41 4.55/4.12 na 8.51/6.93
G25 7.63 na 5.73 4.52 4.58 4.48 4.58/4.13 12.99 nd
U26 7.75 5.18 5.55 4.36 4.57 4.44 4.58/4.10 14.14 na
G27 7.78 na 6.03 4.34 4.83 4.56 4.52/4.19 12.65 nd
G28 8.08 na 5.83 4.74 4.59 4.53 4.44/4.21 12.66 8.54
U29 7.89 5.17 5.65 4.61 4.51 4.51 4.56/4.20 14.36 na
C30 7.90 5.70 5.61 4.42 4.46 4.48 4.54/4.21 na 8.57/7.06
C31 7.83 5.56 5.45 4.37 4.48 4.42 4.54/4.05 na 8.56/6.98
U32 7.97 5.41 5.53 4.50 4.56 4.45 4.60/4.09 14.19 na
C33 7.94 5.66 5.58 4.21 4.50 4.42 4.58/4.08 na 8.40/7.06
C34 7.67 5.48 5.72 4.00 4.17 4.17 4.49/4.03 na nd
#
# (7b) Heteronuclear chemical shifts at 25 deg (partial assignments).
#
Res C6/C8 C2/C5 C1' C2' C3' C4' C5' N1/N9
G1 139.2 nd 92.3 75.6 75.0 83.7 67.3 169.1
G2 137.0 nd 93.3 75.8 73.3 82.8 66.2 169.6
A3 139.3 153.5 93.2 76.2 73.3 82.0 65.0 170.8
G4 135.8 nd 92.8 76.0 73.5 82.4 66.0 169.3
G5 136.3 nd 93.2 75.9 73.4 82.3 65.8 169.1
A6 139.4 154.2 93.1 76.0 73.1 82.0 64.8 171.0
C7 140.1  97.9 93.9 75.9 73.0 82.3 65.4 150.4
A8 139.7 154.3 93.4 76.0 73.5 83.0 65.5 170.5
U9 141.6 104.3 91.7 76.2 75.3 84.2 66.2 144.4
C10 143.1  98.9 93.1 76.1 74.9 83.9 66.9 152.2
C11 142.6  98.9 93.3 76.3 74.4 83.4 66.4 152.5
C12 142.5  98.6 92.7 76.6 75.2 83.9 64.7 152.3
U13 142.6 105.2 92.5 75.9 75.3 84.1 66.8 145.0
C14 142.0  99.3 94.2 75.6 73.2 82.1 65.4 151.7
A15 140.0 153.8 93.2 76.1 72.9 82.3 65.0 171.4
C16 140.4  97.9 93.5 76.0 72.4 82.1 64.8 150.7
G17 136.0 nd 92.9 76.0 72.8 82.0 65.4 169.3
G18 135.8 nd 93.0 76.1 72.3 83.7 66.2 169.5
G19 135.8 nd 94.1 76.1 72.4 82.5 65.0 170.5
U20 143.0 104.2 92.8 76.1 73.6 83.7 65.2 145.7
G21 137.6 nd 92.5 76.2 74.6 83.5 66.1 170.0
A22 140.6 155.9 91.9 77.2 79.2 83.0 66.1 172.6
C23 142.1  99.6 95.5 75.0 74.8 83.1 69.6 150.5
C24 141.1  98.7 94.1 75.7 72.9 82.0 64.8 150.6
G25 136.4 nd 93.4 75.6 73.1 82.1 65.0 169.3
U26 140.9 103.4 93.9 75.8 72.6 82.2 65.0 145.6
G27 137.6 nd 90.4 77.8 76.3 84.9 66.5 168.5
G28 138.7 nd 92.9 75.3 74.7 83.6 67.5 168.9
U29 142.7 102.7 94.1 75.7 72.9 82.7 65.1 147.3
C30 141.9  98.0 94.4 76.0 72.4 82.4 65.5 151.6
C31 141.7  97.9 94.5 75.8 73.0 81.8 64.7 151.0
U32 142.5 103.5 94.2 75.5 72.4 82.3 64.3 146.8
C33 142.0  97.5 94.5 76.0 72.5 82.1 64.7 152.1
C34 142.0  98.3 93.2 77.9 70.1 83.9 65.6 152.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   4.189  17.652 -11.229
    2   2H5*    G   1          2H5*        G   1   5.095  17.422 -12.724
    3    H4*    G   1           H4*        G   1   6.029  16.590  -9.969
    4    H3*    G   1           H3*        G   1   6.770  18.975 -11.679
    5    H2*    G   1           H2*        G   1   9.002  18.845 -10.806
    6   2HO*    G   1          2HO*        G   1   9.499  17.514  -9.078
    7    H1*    G   1           H1*        G   1   9.188  16.132 -11.112
    8    H8     G   1           H8         G   1   7.359  16.583 -14.180
    9    H1     G   1           H1         G   1  12.928  19.709 -14.566
   10   1H2     G   1          1H2         G   1  13.832  19.925 -12.560
   11   2H2     G   1          2H2         G   1  13.061  19.304 -11.117
   12   1H5*    G   2          1H5*        G   2   8.193  20.004  -7.780
   13   2H5*    G   2          2H5*        G   2   7.874  21.725  -7.433
   14    H4*    G   2           H4*        G   2  10.293  20.986  -7.236
   15    H3*    G   2           H3*        G   2   9.562  23.188  -9.183
   16    H2*    G   2           H2*        G   2  11.894  23.481  -9.634
   17   2HO*    G   2          2HO*        G   2  13.447  22.301  -8.421
   18    H1*    G   2           H1*        G   2  12.395  20.808  -9.867
   19    H8     G   2           H8         G   2   9.013  21.012 -11.405
   20    H1     G   2           H1         G   2  13.438  23.770 -15.100
   21   1H2     G   2          1H2         G   2  15.316  24.082 -13.971
   22   2H2     G   2          2H2         G   2  15.485  23.593 -12.299
   23   1H5*    A   3          1H5*        A   3  12.721  24.785  -7.541
   24   2H5*    A   3          2H5*        A   3  12.491  26.491  -7.077
   25    H4*    A   3           H4*        A   3  14.351  25.979  -8.772
   26    H3*    A   3           H3*        A   3  12.155  27.923  -9.506
   27    H2*    A   3           H2*        A   3  13.290  28.369 -11.503
   28   2HO*    A   3          2HO*        A   3  15.504  27.871 -11.775
   29    H1*    A   3           H1*        A   3  14.338  25.694 -11.721
   30    H8     A   3           H8         A   3  10.685  25.321 -11.458
   31   1H6     A   3          1H6         A   3  10.285  27.087 -17.402
   32   2H6     A   3          2H6         A   3   9.421  26.367 -16.059
   33    H2     A   3           H2         A   3  14.414  28.013 -15.925
   34   1H5*    G   4          1H5*        G   4  15.699  30.160 -10.112
   35   2H5*    G   4          2H5*        G   4  15.472  31.741  -9.324
   36    H4*    G   4           H4*        G   4  16.232  32.135 -11.566
   37    H3*    G   4           H3*        G   4  13.231  32.554 -11.459
   38    H2*    G   4           H2*        G   4  13.458  33.470 -13.665
   39   2HO*    G   4          2HO*        G   4  15.562  33.823 -14.537
   40    H1*    G   4           H1*        G   4  15.324  31.498 -14.415
   41    H8     G   4           H8         G   4  12.428  29.926 -12.537
   42    H1     G   4           H1         G   4  11.112  31.253 -18.662
   43   1H2     G   4          1H2         G   4  12.722  32.505 -19.524
   44   2H2     G   4          2H2         G   4  14.112  33.004 -18.593
   45   1H5*    G   5          1H5*        G   5  15.267  36.217 -12.747
   46   2H5*    G   5          2H5*        G   5  14.268  37.632 -12.322
   47    H4*    G   5           H4*        G   5  14.962  37.368 -14.781
   48    H3*    G   5           H3*        G   5  12.011  37.556 -14.130
   49    H2*    G   5           H2*        G   5  11.673  37.767 -16.491
   50   2HO*    G   5          2HO*        G   5  13.511  38.053 -17.879
   51    H1*    G   5           H1*        G   5  13.737  35.914 -17.079
   52    H8     G   5           H8         G   5  11.516  34.346 -14.461
   53    H1     G   5           H1         G   5   8.833  34.293 -20.269
   54   1H2     G   5          1H2         G   5   9.948  35.595 -21.662
   55   2H2     G   5          2H2         G   5  11.376  36.482 -21.166
   56   1H5*    A   6          1H5*        A   6  12.979  40.640 -17.015
   57   2H5*    A   6          2H5*        A   6  12.229  42.138 -16.404
   58    H4*    A   6           H4*        A   6  11.696  41.857 -18.755
   59    H3*    A   6           H3*        A   6   9.324  41.228 -16.976
   60    H2*    A   6           H2*        A   6   8.011  41.116 -18.979
   61   2HO*    A   6          2HO*        A   6  10.375  42.136 -20.237
   62    H1*    A   6           H1*        A   6   9.914  39.665 -20.344
   63    H8     A   6           H8         A   6   9.702  38.518 -16.700
   64   1H6     A   6          1H6         A   6   5.025  34.884 -18.560
   65   2H6     A   6          2H6         A   6   6.102  35.274 -17.236
   66    H2     A   6           H2         A   6   6.152  37.620 -21.943
   67   1H5*    C   7          1H5*        C   7   8.195  44.064 -19.984
   68   2H5*    C   7          2H5*        C   7   6.983  45.189 -19.325
   69    H4*    C   7           H4*        C   7   6.345  43.934 -21.455
   70    H3*    C   7           H3*        C   7   4.580  43.687 -19.000
   71    H2*    C   7           H2*        C   7   3.033  42.481 -20.352
   72   2HO*    C   7          2HO*        C   7   3.395  42.335 -22.637
   73    H1*    C   7           H1*        C   7   4.989  41.047 -21.693
   74   1H4     C   7          1H4         C   7   2.645  37.342 -17.055
   75   2H4     C   7          2H4         C   7   3.908  37.895 -15.978
   76    H5     C   7           H5         C   7   5.465  39.675 -16.563
   77    H6     C   7           H6         C   7   6.129  41.235 -18.313
   78   1H5*    A   8          1H5*        A   8   1.707  44.356 -22.162
   79   2H5*    A   8          2H5*        A   8   0.551  45.510 -21.444
   80    H4*    A   8           H4*        A   8  -0.406  43.277 -22.237
   81    H3*    A   8           H3*        A   8  -0.778  44.154 -19.377
   82    H2*    A   8           H2*        A   8  -2.067  42.212 -18.971
   83   2HO*    A   8          2HO*        A   8  -3.414  42.321 -20.820
   84    H1*    A   8           H1*        A   8  -0.591  40.586 -20.732
   85    H8     A   8           H8         A   8   1.824  42.331 -18.497
   86   1H6     A   8          1H6         A   8   0.712  37.945 -14.301
   87   2H6     A   8          2H6         A   8   1.742  39.293 -14.724
   88    H2     A   8           H2         A   8  -2.308  37.595 -17.578
   89   1H5*    U   9          1H5*        U   9  -4.362  45.123 -17.520
   90   2H5*    U   9          2H5*        U   9  -4.028  46.871 -17.576
   91    H4*    U   9           H4*        U   9  -2.951  46.581 -15.651
   92    H3*    U   9           H3*        U   9  -0.803  46.216 -17.319
   93    H2*    U   9           H2*        U   9  -1.837  43.949 -17.780
   94   2HO*    U   9          2HO*        U   9   0.519  43.599 -16.231
   95    H1*    U   9           H1*        U   9  -1.303  43.631 -14.889
   96    H3     U   9           H3         U   9  -1.943  39.190 -14.909
   97    H5     U   9           H5         U   9  -4.982  40.632 -17.403
   98    H6     U   9           H6         U   9  -4.062  42.822 -17.154
   99   1H5*    C  10          1H5*        C  10  -4.089  46.472 -13.209
  100   2H5*    C  10          2H5*        C  10  -2.942  46.638 -11.863
  101    H4*    C  10           H4*        C  10  -4.309  45.090 -10.919
  102    H3*    C  10           H3*        C  10  -2.049  43.764 -11.848
  103    H2*    C  10           H2*        C  10  -3.159  43.072 -13.865
  104   2HO*    C  10          2HO*        C  10  -2.357  41.188 -12.828
  105    H1*    C  10           H1*        C  10  -5.511  42.429 -12.105
  106   1H4     C  10          1H4         C  10  -8.379  40.850 -17.554
  107   2H4     C  10          2H4         C  10  -7.854  42.335 -18.313
  108    H5     C  10           H5         C  10  -6.407  43.962 -17.186
  109    H6     C  10           H6         C  10  -5.192  44.445 -15.140
  110   1H5*    C  11          1H5*        C  11  -5.475  44.407  -9.412
  111   2H5*    C  11          2H5*        C  11  -6.064  44.188  -7.744
  112    H4*    C  11           H4*        C  11  -7.229  42.939  -9.755
  113    H3*    C  11           H3*        C  11  -7.489  42.427  -7.144
  114    H2*    C  11           H2*        C  11  -5.376  41.290  -6.955
  115   2HO*    C  11          2HO*        C  11  -5.867  39.150  -6.531
  116    H1*    C  11           H1*        C  11  -6.110  39.590  -9.353
  117   1H4     C  11          1H4         C  11   0.349  38.893  -8.185
  118   2H4     C  11          2H4         C  11   0.355  39.048  -9.926
  119    H5     C  11           H5         C  11  -1.648  39.652 -11.220
  120    H6     C  11           H6         C  11  -3.999  40.201 -11.053
  121   1H5*    C  12          1H5*        C  12 -11.921  40.836  -9.575
  122   2H5*    C  12          2H5*        C  12 -12.801  41.422  -8.134
  123    H4*    C  12           H4*        C  12 -12.848  39.047  -8.118
  124    H3*    C  12           H3*        C  12 -11.789  40.340  -5.878
  125    H2*    C  12           H2*        C  12  -9.584  39.916  -6.656
  126   2HO*    C  12          2HO*        C  12  -8.904  37.884  -5.424
  127    H1*    C  12           H1*        C  12 -10.683  37.154  -7.298
  128   1H4     C  12          1H4         C  12  -4.529  36.176  -9.040
  129   2H4     C  12          2H4         C  12  -4.900  36.994 -10.540
  130    H5     C  12           H5         C  12  -7.043  38.131 -10.945
  131    H6     C  12           H6         C  12  -9.197  38.673  -9.968
  132   1H5*    U  13          1H5*        U  13 -16.376  38.342  -6.163
  133   2H5*    U  13          2H5*        U  13 -15.969  36.659  -6.582
  134    H4*    U  13           H4*        U  13 -14.286  39.080  -7.171
  135    H3*    U  13           H3*        U  13 -16.483  38.468  -8.679
  136    H2*    U  13           H2*        U  13 -15.800  36.252  -9.181
  137   2HO*    U  13          2HO*        U  13 -16.039  37.426 -11.162
  138    H1*    U  13           H1*        U  13 -12.941  37.222  -9.599
  139    H3     U  13           H3         U  13 -11.526  33.062 -10.491
  140    H5     U  13           H5         U  13 -14.294  32.503  -7.377
  141    H6     U  13           H6         U  13 -14.735  34.875  -7.432
  142   1H5*    C  14          1H5*        C  14 -15.975  40.344 -13.473
  143   2H5*    C  14          2H5*        C  14 -15.457  38.762 -12.837
  144    H4*    C  14           H4*        C  14 -13.715  40.794 -14.267
  145    H3*    C  14           H3*        C  14 -14.825  38.106 -15.104
  146    H2*    C  14           H2*        C  14 -12.844  37.747 -16.422
  147   2HO*    C  14          2HO*        C  14 -12.038  40.369 -15.598
  148    H1*    C  14           H1*        C  14 -11.152  38.421 -14.411
  149   1H4     C  14          1H4         C  14 -12.628  32.229 -13.562
  150   2H4     C  14          2H4         C  14 -13.868  32.698 -12.425
  151    H5     C  14           H5         C  14 -14.489  35.043 -12.009
  152    H6     C  14           H6         C  14 -14.010  37.323 -12.623
  153   1H5*    A  15          1H5*        A  15 -13.662  39.339 -18.926
  154   2H5*    A  15          2H5*        A  15 -15.054  39.037 -20.003
  155    H4*    A  15           H4*        A  15 -12.976  37.871 -20.725
  156    H3*    A  15           H3*        A  15 -15.218  36.051 -19.804
  157    H2*    A  15           H2*        A  15 -13.902  34.228 -20.682
  158   2HO*    A  15          2HO*        A  15 -11.907  34.718 -21.749
  159    H1*    A  15           H1*        A  15 -11.599  35.190 -19.484
  160    H8     A  15           H8         A  15 -14.227  36.007 -16.997
  161   1H6     A  15          1H6         A  15 -14.303  30.040 -15.350
  162   2H6     A  15          2H6         A  15 -14.841  31.651 -14.930
  163    H2     A  15           H2         A  15 -11.915  30.438 -19.128
  164   1H5*    C  16          1H5*        C  16 -14.505  34.687 -23.654
  165   2H5*    C  16          2H5*        C  16 -16.039  34.512 -24.550
  166    H4*    C  16           H4*        C  16 -14.653  32.448 -24.569
  167    H3*    C  16           H3*        C  16 -17.275  32.263 -23.067
  168    H2*    C  16           H2*        C  16 -16.871  29.910 -22.849
  169   2HO*    C  16          2HO*        C  16 -15.061  28.969 -23.933
  170    H1*    C  16           H1*        C  16 -14.189  30.266 -22.214
  171   1H4     C  16          1H4         C  16 -17.015  29.963 -16.526
  172   2H4     C  16          2H4         C  16 -17.843  31.482 -16.792
  173    H5     C  16           H5         C  16 -17.673  32.738 -18.891
  174    H6     C  16           H6         C  16 -16.672  32.761 -21.098
  175   1H5*    G  17          1H5*        G  17 -17.615  29.221 -26.350
  176   2H5*    G  17          2H5*        G  17 -19.358  28.997 -26.648
  177    H4*    G  17           H4*        G  17 -17.947  26.955 -25.901
  178    H3*    G  17           H3*        G  17 -20.488  27.723 -24.444
  179    H2*    G  17           H2*        G  17 -20.252  25.693 -23.189
  180   2HO*    G  17          2HO*        G  17 -18.592  24.196 -23.760
  181    H1*    G  17           H1*        G  17 -17.529  26.037 -22.824
  182    H8     G  17           H8         G  17 -19.229  29.418 -22.499
  183    H1     G  17           H1         G  17 -19.799  25.772 -17.287
  184   1H2     G  17          1H2         G  17 -19.146  23.701 -17.719
  185   2H2     G  17          2H2         G  17 -18.550  23.226 -19.291
  186   1H5*    G  18          1H5*        G  18 -20.958  23.574 -25.399
  187   2H5*    G  18          2H5*        G  18 -22.569  23.391 -26.142
  188    H4*    G  18           H4*        G  18 -22.267  21.749 -24.365
  189    H3*    G  18           H3*        G  18 -24.164  23.981 -23.594
  190    H2*    G  18           H2*        G  18 -24.651  22.745 -21.612
  191   2HO*    G  18          2HO*        G  18 -23.865  20.612 -21.356
  192    H1*    G  18           H1*        G  18 -22.002  22.047 -21.168
  193    H8     G  18           H8         G  18 -22.282  25.653 -22.380
  194    H1     G  18           H1         G  18 -23.457  24.962 -16.126
  195   1H2     G  18          1H2         G  18 -23.632  22.823 -15.604
  196   2H2     G  18          2H2         G  18 -23.442  21.554 -16.796
  197   1H5*    G  19          1H5*        G  19 -26.354  20.551 -22.788
  198   2H5*    G  19          2H5*        G  19 -28.075  20.797 -23.192
  199    H4*    G  19           H4*        G  19 -27.568  20.206 -20.767
  200    H3*    G  19           H3*        G  19 -28.948  22.847 -21.331
  201    H2*    G  19           H2*        G  19 -29.256  23.054 -18.972
  202   2HO*    G  19          2HO*        G  19 -28.935  21.302 -17.596
  203    H1*    G  19           H1*        G  19 -26.708  21.995 -18.395
  204    H8     G  19           H8         G  19 -26.333  24.521 -21.183
  205    H1     G  19           H1         G  19 -27.041  27.252 -15.446
  206   1H2     G  19          1H2         G  19 -27.665  25.753 -13.955
  207   2H2     G  19          2H2         G  19 -27.900  24.069 -14.364
  208   1H5*    U  20          1H5*        U  20 -31.772  23.963 -20.839
  209   2H5*    U  20          2H5*        U  20 -31.593  22.733 -19.562
  210    H4*    U  20           H4*        U  20 -34.204  23.807 -20.668
  211    H3*    U  20           H3*        U  20 -32.772  24.293 -18.051
  212    H2*    U  20           H2*        U  20 -34.884  24.417 -16.945
  213   2HO*    U  20          2HO*        U  20 -35.937  25.745 -18.531
  214    H1*    U  20           H1*        U  20 -36.081  22.397 -18.515
  215    H3     U  20           H3         U  20 -35.364  21.640 -13.836
  216    H5     U  20           H5         U  20 -32.682  19.319 -16.111
  217    H6     U  20           H6         U  20 -33.314  20.621 -18.063
  218   1H5*    G  21          1H5*        G  21 -32.398  27.841 -15.781
  219   2H5*    G  21          2H5*        G  21 -31.520  26.456 -16.491
  220    H4*    G  21           H4*        G  21 -33.338  26.432 -14.062
  221    H3*    G  21           H3*        G  21 -30.366  25.984 -14.415
  222    H2*    G  21           H2*        G  21 -30.422  24.453 -12.595
  223   2HO*    G  21          2HO*        G  21 -31.655  25.584 -11.095
  224    H1*    G  21           H1*        G  21 -32.967  23.434 -13.235
  225    H8     G  21           H8         G  21 -30.679  23.649 -16.266
  226    H1     G  21           H1         G  21 -29.884  18.337 -12.796
  227   1H2     G  21          1H2         G  21 -31.009  18.485 -10.898
  228   2H2     G  21          2H2         G  21 -31.950  19.897 -10.481
  229   1H5*    A  22          1H5*        A  22 -31.044  27.541 -10.213
  230   2H5*    A  22          2H5*        A  22 -29.555  28.349  -9.643
  231    H4*    A  22           H4*        A  22 -30.286  26.518  -8.131
  232    H3*    A  22           H3*        A  22 -27.695  26.056  -9.630
  233    H2*    A  22           H2*        A  22 -27.401  24.047  -8.312
  234   2HO*    A  22          2HO*        A  22 -28.290  24.937  -6.328
  235    H1*    A  22           H1*        A  22 -29.971  23.223  -8.713
  236    H8     A  22           H8         A  22 -28.375  25.095 -11.693
  237   1H6     A  22          1H6         A  22 -26.610  19.524 -13.686
  238   2H6     A  22          2H6         A  22 -26.676  21.229 -14.065
  239    H2     A  22           H2         A  22 -28.477  19.050  -9.645
  240   1H5*    C  23          1H5*        C  23 -23.643  25.092  -7.068
  241   2H5*    C  23          2H5*        C  23 -23.865  26.133  -8.499
  242    H4*    C  23           H4*        C  23 -24.665  23.222  -8.225
  243    H3*    C  23           H3*        C  23 -22.504  24.610  -9.815
  244    H2*    C  23           H2*        C  23 -22.759  22.980 -11.546
  245   2HO*    C  23          2HO*        C  23 -24.104  21.167 -11.235
  246    H1*    C  23           H1*        C  23 -25.483  23.060 -11.539
  247   1H4     C  23          1H4         C  23 -23.668  27.511 -15.745
  248   2H4     C  23          2H4         C  23 -23.661  28.710 -14.472
  249    H5     C  23           H5         C  23 -24.022  28.145 -12.108
  250    H6     C  23           H6         C  23 -24.455  26.348 -10.565
  251   1H5*    C  24          1H5*        C  24 -21.492  20.642 -10.158
  252   2H5*    C  24          2H5*        C  24 -19.766  20.380  -9.792
  253    H4*    C  24           H4*        C  24 -20.367  19.442 -11.980
  254    H3*    C  24           H3*        C  24 -18.610  21.905 -12.116
  255    H2*    C  24           H2*        C  24 -18.417  21.524 -14.475
  256   2HO*    C  24          2HO*        C  24 -19.359  19.626 -15.393
  257    H1*    C  24           H1*        C  24 -21.111  21.018 -14.789
  258   1H4     C  24          1H4         C  24 -20.257  27.269 -15.851
  259   2H4     C  24          2H4         C  24 -20.671  27.590 -14.184
  260    H5     C  24           H5         C  24 -21.031  25.811 -12.526
  261    H6     C  24           H6         C  24 -21.033  23.426 -12.188
  262   1H5*    G  25          1H5*        G  25 -16.575  19.238 -14.484
  263   2H5*    G  25          2H5*        G  25 -14.887  19.103 -13.924
  264    H4*    G  25           H4*        G  25 -14.986  19.516 -16.339
  265    H3*    G  25           H3*        G  25 -13.984  21.881 -14.735
  266    H2*    G  25           H2*        G  25 -13.476  22.954 -16.815
  267   2HO*    G  25          2HO*        G  25 -13.676  21.781 -18.782
  268    H1*    G  25           H1*        G  25 -15.845  22.146 -18.013
  269    H8     G  25           H8         G  25 -16.230  23.186 -14.334
  270    H1     G  25           H1         G  25 -16.584  28.031 -18.500
  271   1H2     G  25          1H2         G  25 -16.027  27.343 -20.523
  272   2H2     G  25          2H2         G  25 -15.586  25.682 -20.855
  273   1H5*    U  26          1H5*        U  26 -11.135  21.049 -17.769
  274   2H5*    U  26          2H5*        U  26  -9.487  21.134 -17.093
  275    H4*    U  26           H4*        U  26  -9.665  22.494 -19.120
  276    H3*    U  26           H3*        U  26  -9.487  24.163 -16.599
  277    H2*    U  26           H2*        U  26  -9.229  26.067 -18.038
  278   2HO*    U  26          2HO*        U  26  -9.044  25.751 -20.311
  279    H1*    U  26           H1*        U  26 -11.250  25.234 -19.750
  280    H3     U  26           H3         U  26 -13.279  28.694 -17.659
  281    H5     U  26           H5         U  26 -12.845  25.810 -14.605
  282    H6     U  26           H6         U  26 -11.606  24.442 -16.163
  283   1H5*    G  27          1H5*        G  27  -6.365  25.253 -19.182
  284   2H5*    G  27          2H5*        G  27  -4.888  25.773 -18.328
  285    H4*    G  27           H4*        G  27  -6.068  27.378 -20.012
  286    H3*    G  27           H3*        G  27  -4.464  27.927 -17.720
  287    H2*    G  27           H2*        G  27  -6.068  29.012 -16.458
  288   2HO*    G  27          2HO*        G  27  -4.877  30.808 -17.259
  289    H1*    G  27           H1*        G  27  -7.751  29.790 -18.838
  290    H8     G  27           H8         G  27  -8.705  27.124 -16.279
  291    H1     G  27           H1         G  27 -11.338  32.839 -15.145
  292   1H2     G  27          1H2         G  27 -10.450  34.375 -16.470
  293   2H2     G  27          2H2         G  27  -9.214  33.985 -17.645
  294   1H5*    G  28          1H5*        G  28  -5.170  32.071 -19.500
  295   2H5*    G  28          2H5*        G  28  -5.205  30.951 -20.887
  296    H4*    G  28           H4*        G  28  -5.343  32.913 -22.032
  297    H3*    G  28           H3*        G  28  -2.385  32.533 -21.559
  298    H2*    G  28           H2*        G  28  -1.898  34.675 -22.488
  299   2HO*    G  28          2HO*        G  28  -3.553  35.902 -23.477
  300    H1*    G  28           H1*        G  28  -3.818  36.005 -21.123
  301    H8     G  28           H8         G  28  -3.068  33.457 -18.548
  302    H1     G  28           H1         G  28   1.818  37.511 -19.328
  303   1H2     G  28          1H2         G  28   1.553  38.682 -21.187
  304   2H2     G  28          2H2         G  28   0.172  38.463 -22.235
  305   1H5*    U  29          1H5*        U  29  -1.869  34.185 -25.109
  306   2H5*    U  29          2H5*        U  29  -1.311  32.918 -26.236
  307    H4*    U  29           H4*        U  29   0.158  34.792 -26.485
  308    H3*    U  29           H3*        U  29   1.450  32.673 -24.745
  309    H2*    U  29           H2*        U  29   3.451  33.976 -24.820
  310   2HO*    U  29          2HO*        U  29   3.567  35.820 -26.175
  311    H1*    U  29           H1*        U  29   2.127  36.361 -24.402
  312    H3     U  29           H3         U  29   4.420  35.461 -20.573
  313    H5     U  29           H5         U  29   0.962  33.076 -20.318
  314    H6     U  29           H6         U  29   0.435  33.709 -22.596
  315   1H5*    C  30          1H5*        C  30   4.148  33.519 -28.166
  316   2H5*    C  30          2H5*        C  30   5.111  32.050 -28.480
  317    H4*    C  30           H4*        C  30   6.415  34.190 -28.003
  318    H3*    C  30           H3*        C  30   6.857  31.796 -26.199
  319    H2*    C  30           H2*        C  30   8.683  33.023 -25.237
  320   2HO*    C  30          2HO*        C  30   9.364  34.993 -26.177
  321    H1*    C  30           H1*        C  30   7.240  35.422 -25.193
  322   1H4     C  30          1H4         C  30   6.696  32.857 -19.359
  323   2H4     C  30          2H4         C  30   5.315  31.926 -19.891
  324    H5     C  30           H5         C  30   4.567  31.867 -22.227
  325    H6     C  30           H6         C  30   5.009  32.693 -24.453
  326   1H5*    C  31          1H5*        C  31  10.690  32.789 -27.851
  327   2H5*    C  31          2H5*        C  31  11.725  31.335 -27.913
  328    H4*    C  31           H4*        C  31  12.527  33.322 -26.484
  329    H3*    C  31           H3*        C  31  12.249  30.581 -25.227
  330    H2*    C  31           H2*        C  31  13.314  31.498 -23.291
  331   2HO*    C  31          2HO*        C  31  14.295  33.549 -23.370
  332    H1*    C  31           H1*        C  31  11.926  33.941 -23.500
  333   1H4     C  31          1H4         C  31   9.039  30.406 -19.004
  334   2H4     C  31          2H4         C  31   7.943  29.788 -20.219
  335    H5     C  31           H5         C  31   8.191  30.270 -22.615
  336    H6     C  31           H6         C  31   9.544  31.419 -24.262
  337   1H5*    U  32          1H5*        U  32  16.188  31.523 -24.287
  338   2H5*    U  32          2H5*        U  32  17.225  30.161 -24.793
  339    H4*    U  32           H4*        U  32  17.682  30.753 -22.472
  340    H3*    U  32           H3*        U  32  16.128  28.163 -22.715
  341    H2*    U  32           H2*        U  32  16.469  27.875 -20.366
  342   2HO*    U  32          2HO*        U  32  17.872  29.319 -19.234
  343    H1*    U  32           H1*        U  32  16.018  30.579 -19.801
  344    H3     U  32           H3         U  32  12.612  28.176 -17.918
  345    H5     U  32           H5         U  32  11.560  28.563 -21.980
  346    H6     U  32           H6         U  32  13.747  29.504 -22.387
  347   1H5*    C  33          1H5*        C  33  20.137  27.385 -20.747
  348   2H5*    C  33          2H5*        C  33  20.504  25.647 -20.933
  349    H4*    C  33           H4*        C  33  20.384  26.704 -18.540
  350    H3*    C  33           H3*        C  33  18.901  24.156 -19.233
  351    H2*    C  33           H2*        C  33  18.331  24.000 -16.925
  352   2HO*    C  33          2HO*        C  33  19.393  25.317 -15.376
  353    H1*    C  33           H1*        C  33  18.050  26.791 -16.621
  354   1H4     C  33          1H4         C  33  12.283  24.013 -16.671
  355   2H4     C  33          2H4         C  33  12.158  24.373 -18.374
  356    H5     C  33           H5         C  33  13.977  25.291 -19.670
  357    H6     C  33           H6         C  33  16.302  26.039 -19.597
  358   1H5*    C  34          1H5*        C  34  21.224  23.267 -15.783
  359   2H5*    C  34          2H5*        C  34  21.667  21.539 -15.781
  360    H4*    C  34           H4*        C  34  20.186  22.507 -13.854
  361    H3*    C  34           H3*        C  34  19.494  19.962 -15.342
  362    H2*    C  34           H2*        C  34  17.634  19.678 -13.879
  363   2HO*    C  34          2HO*        C  34  18.949  20.298 -11.962
  364    H1*    C  34           H1*        C  34  17.072  22.436 -13.707
  365   1H4     C  34          1H4         C  34  12.781  19.710 -17.614
  366   2H4     C  34          2H4         C  34  13.771  20.172 -18.982
  367    H5     C  34           H5         C  34  16.018  21.163 -18.729
  368    H6     C  34           H6         C  34  17.662  21.892 -17.134
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   7.727  14.967 -18.726
    2   2H5*    G   1          2H5*        G   1   8.953  15.655 -19.791
    3    H4*    G   1           H4*        G   1   9.504  13.847 -17.427
    4    H3*    G   1           H3*        G   1   9.766  16.847 -17.729
    5    H2*    G   1           H2*        G   1  11.661  16.775 -16.268
    6   2HO*    G   1          2HO*        G   1  12.186  14.862 -15.151
    7    H1*    G   1           H1*        G   1  12.739  14.511 -17.424
    8    H8     G   1           H8         G   1  11.858  16.012 -20.566
    9    H1     G   1           H1         G   1  16.087  19.755 -17.568
   10   1H2     G   1          1H2         G   1  16.252  19.191 -15.440
   11   2H2     G   1          2H2         G   1  15.308  17.892 -14.744
   12   1H5*    G   2          1H5*        G   2  10.073  16.057 -13.593
   13   2H5*    G   2          2H5*        G   2   9.152  17.249 -12.635
   14    H4*    G   2           H4*        G   2  11.633  16.956 -12.062
   15    H3*    G   2           H3*        G   2  10.489  19.671 -12.752
   16    H2*    G   2           H2*        G   2  12.615  20.656 -12.337
   17   2HO*    G   2          2HO*        G   2  14.299  19.425 -11.390
   18    H1*    G   2           H1*        G   2  14.058  18.672 -13.587
   19    H8     G   2           H8         G   2  11.129  19.081 -15.862
   20    H1     G   2           H1         G   2  15.100  24.078 -16.206
   21   1H2     G   2          1H2         G   2  16.537  24.054 -14.534
   22   2H2     G   2          2H2         G   2  16.540  22.788 -13.323
   23   1H5*    A   3          1H5*        A   3  12.555  20.770  -9.442
   24   2H5*    A   3          2H5*        A   3  11.586  21.901  -8.458
   25    H4*    A   3           H4*        A   3  13.790  22.786  -9.452
   26    H3*    A   3           H3*        A   3  11.177  24.199 -10.026
   27    H2*    A   3           H2*        A   3  12.359  25.853 -11.170
   28   2HO*    A   3          2HO*        A   3  14.683  24.800  -9.857
   29    H1*    A   3           H1*        A   3  14.321  24.047 -12.195
   30    H8     A   3           H8         A   3  10.849  22.792 -12.923
   31   1H6     A   3          1H6         A   3  10.974  26.645 -17.808
   32   2H6     A   3          2H6         A   3  10.099  25.329 -17.051
   33    H2     A   3           H2         A   3  14.478  27.552 -15.165
   34   1H5*    G   4          1H5*        G   4  13.735  27.476  -7.989
   35   2H5*    G   4          2H5*        G   4  12.463  28.551  -7.351
   36    H4*    G   4           H4*        G   4  14.182  29.558  -8.983
   37    H3*    G   4           H3*        G   4  11.235  29.789  -9.656
   38    H2*    G   4           H2*        G   4  11.926  31.315 -11.374
   39   2HO*    G   4          2HO*        G   4  14.066  32.080 -11.449
   40    H1*    G   4           H1*        G   4  14.177  29.743 -12.026
   41    H8     G   4           H8         G   4  11.293  27.379 -11.705
   42    H1     G   4           H1         G   4  11.017  30.852 -17.074
   43   1H2     G   4          1H2         G   4  12.467  32.525 -16.979
   44   2H2     G   4          2H2         G   4  13.506  32.772 -15.596
   45   1H5*    G   5          1H5*        G   5  13.062  33.822  -9.278
   46   2H5*    G   5          2H5*        G   5  11.774  34.977  -8.847
   47    H4*    G   5           H4*        G   5  13.198  35.404 -10.988
   48    H3*    G   5           H3*        G   5  10.171  35.421 -11.127
   49    H2*    G   5           H2*        G   5  10.428  36.243 -13.359
   50   2HO*    G   5          2HO*        G   5  12.443  36.983 -14.100
   51    H1*    G   5           H1*        G   5  12.678  34.600 -13.852
   52    H8     G   5           H8         G   5  10.221  32.209 -12.437
   53    H1     G   5           H1         G   5   8.439  34.123 -18.272
   54   1H2     G   5          1H2         G   5   9.610  35.878 -18.923
   55   2H2     G   5          2H2         G   5  10.843  36.603 -17.911
   56   1H5*    A   6          1H5*        A   6  11.467  39.249 -12.774
   57   2H5*    A   6          2H5*        A   6  10.484  40.466 -11.919
   58    H4*    A   6           H4*        A   6  10.429  40.900 -14.308
   59    H3*    A   6           H3*        A   6   7.831  39.707 -13.299
   60    H2*    A   6           H2*        A   6   6.915  40.098 -15.471
   61   2HO*    A   6          2HO*        A   6   8.136  41.304 -17.019
   62    H1*    A   6           H1*        A   6   9.230  39.307 -16.800
   63    H8     A   6           H8         A   6   8.505  36.925 -13.921
   64   1H6     A   6          1H6         A   6   4.660  33.989 -17.793
   65   2H6     A   6          2H6         A   6   5.461  33.927 -16.240
   66    H2     A   6           H2         A   6   5.956  37.839 -19.721
   67   1H5*    C   7          1H5*        C   7   7.039  43.592 -15.376
   68   2H5*    C   7          2H5*        C   7   5.552  44.281 -14.673
   69    H4*    C   7           H4*        C   7   5.593  43.904 -17.211
   70    H3*    C   7           H3*        C   7   3.377  42.745 -15.498
   71    H2*    C   7           H2*        C   7   2.352  41.880 -17.442
   72   2HO*    C   7          2HO*        C   7   2.974  42.600 -19.517
   73    H1*    C   7           H1*        C   7   4.738  41.269 -18.769
   74   1H4     C   7          1H4         C   7   2.501  35.743 -16.460
   75   2H4     C   7          2H4         C   7   3.167  36.109 -14.886
   76    H5     C   7           H5         C   7   4.223  38.243 -14.359
   77    H6     C   7           H6         C   7   4.855  40.402 -15.245
   78   1H5*    A   8          1H5*        A   8   1.457  45.147 -18.964
   79   2H5*    A   8          2H5*        A   8  -0.160  45.561 -18.329
   80    H4*    A   8           H4*        A   8   0.058  44.118 -20.504
   81    H3*    A   8           H3*        A   8  -1.788  43.411 -18.225
   82    H2*    A   8           H2*        A   8  -2.579  41.566 -19.528
   83   2HO*    A   8          2HO*        A   8  -1.875  41.301 -21.692
   84    H1*    A   8           H1*        A   8  -0.094  40.749 -20.290
   85    H8     A   8           H8         A   8   0.257  42.097 -16.818
   86   1H6     A   8          1H6         A   8  -1.657  36.564 -14.801
   87   2H6     A   8          2H6         A   8  -0.948  38.091 -14.329
   88    H2     A   8           H2         A   8  -2.345  36.783 -19.228
   89   1H5*    U   9          1H5*        U   9  -3.965  43.701 -22.031
   90   2H5*    U   9          2H5*        U   9  -5.740  43.653 -21.857
   91    H4*    U   9           H4*        U   9  -4.156  41.604 -22.828
   92    H3*    U   9           H3*        U   9  -6.964  41.833 -22.004
   93    H2*    U   9           H2*        U   9  -6.882  39.967 -20.596
   94   2HO*    U   9          2HO*        U   9  -7.528  38.861 -22.524
   95    H1*    U   9           H1*        U   9  -4.211  39.106 -21.649
   96    H3     U   9           H3         U   9  -5.237  36.277 -18.023
   97    H5     U   9           H5         U   9  -3.712  39.902 -16.525
   98    H6     U   9           H6         U   9  -3.948  40.828 -18.717
   99   1H5*    C  10          1H5*        C  10 -10.649  39.918 -24.422
  100   2H5*    C  10          2H5*        C  10 -10.177  41.626 -24.533
  101    H4*    C  10           H4*        C  10 -11.760  41.433 -22.750
  102    H3*    C  10           H3*        C  10  -9.399  42.650 -22.238
  103    H2*    C  10           H2*        C  10  -8.307  40.626 -21.584
  104   2HO*    C  10          2HO*        C  10  -8.203  42.297 -19.869
  105    H1*    C  10           H1*        C  10 -10.651  39.991 -19.849
  106   1H4     C  10          1H4         C  10  -7.776  34.111 -20.839
  107   2H4     C  10          2H4         C  10  -7.026  34.641 -19.352
  108    H5     C  10           H5         C  10  -7.355  36.891 -18.426
  109    H6     C  10           H6         C  10  -8.445  39.020 -18.762
  110   1H5*    C  11          1H5*        C  11 -10.807  45.331 -17.625
  111   2H5*    C  11          2H5*        C  11  -9.058  44.981 -17.651
  112    H4*    C  11           H4*        C  11 -10.023  44.781 -15.395
  113    H3*    C  11           H3*        C  11  -8.563  42.582 -16.669
  114    H2*    C  11           H2*        C  11  -9.644  40.780 -15.738
  115   2HO*    C  11          2HO*        C  11 -10.037  42.369 -13.421
  116    H1*    C  11           H1*        C  11 -12.073  41.810 -14.835
  117   1H4     C  11          1H4         C  11 -13.780  39.926 -20.893
  118   2H4     C  11          2H4         C  11 -13.027  38.439 -20.364
  119    H5     C  11           H5         C  11 -11.761  38.261 -18.278
  120    H6     C  11           H6         C  11 -11.008  39.440 -16.321
  121   1H5*    C  12          1H5*        C  12  -6.074  40.404 -15.516
  122   2H5*    C  12          2H5*        C  12  -7.474  41.208 -14.774
  123    H4*    C  12           H4*        C  12  -6.201  41.817 -12.853
  124    H3*    C  12           H3*        C  12  -3.880  41.902 -14.305
  125    H2*    C  12           H2*        C  12  -3.844  39.524 -14.667
  126   2HO*    C  12          2HO*        C  12  -2.334  38.713 -12.940
  127    H1*    C  12           H1*        C  12  -4.492  39.235 -11.727
  128   1H4     C  12          1H4         C  12  -4.404  33.109 -13.706
  129   2H4     C  12          2H4         C  12  -6.026  33.336 -14.321
  130    H5     C  12           H5         C  12  -7.131  35.520 -14.374
  131    H6     C  12           H6         C  12  -6.900  37.865 -13.842
  132   1H5*    U  13          1H5*        U  13  -6.251  43.682  -9.542
  133   2H5*    U  13          2H5*        U  13  -5.192  42.281  -9.847
  134    H4*    U  13           H4*        U  13  -7.598  42.485 -11.572
  135    H3*    U  13           H3*        U  13  -8.115  42.698  -8.738
  136    H2*    U  13           H2*        U  13  -7.491  40.391  -8.438
  137   2HO*    U  13          2HO*        U  13  -9.865  40.671  -8.082
  138    H1*    U  13           H1*        U  13  -8.650  40.115 -11.227
  139    H3     U  13           H3         U  13  -8.174  35.764 -12.082
  140    H5     U  13           H5         U  13  -5.660  36.278  -8.771
  141    H6     U  13           H6         U  13  -6.175  38.653  -8.816
  142   1H5*    C  14          1H5*        C  14 -13.841  43.359 -11.063
  143   2H5*    C  14          2H5*        C  14 -13.253  42.056  -9.998
  144    H4*    C  14           H4*        C  14 -12.393  42.409 -12.883
  145    H3*    C  14           H3*        C  14 -14.664  40.751 -11.762
  146    H2*    C  14           H2*        C  14 -13.974  38.850 -12.911
  147   2HO*    C  14          2HO*        C  14 -14.117  39.665 -14.985
  148    H1*    C  14           H1*        C  14 -11.238  39.752 -13.407
  149   1H4     C  14          1H4         C  14 -11.255  34.201 -10.006
  150   2H4     C  14          2H4         C  14 -10.309  35.121  -8.863
  151    H5     C  14           H5         C  14  -9.972  37.597  -9.067
  152    H6     C  14           H6         C  14 -10.546  39.499 -10.386
  153   1H5*    A  15          1H5*        A  15 -15.787  40.924 -16.485
  154   2H5*    A  15          2H5*        A  15 -17.184  39.812 -16.511
  155    H4*    A  15           H4*        A  15 -14.460  39.281 -17.213
  156    H3*    A  15           H3*        A  15 -16.807  37.385 -16.931
  157    H2*    A  15           H2*        A  15 -15.220  35.652 -17.455
  158   2HO*    A  15          2HO*        A  15 -13.182  36.170 -18.335
  159    H1*    A  15           H1*        A  15 -13.121  37.034 -16.036
  160    H8     A  15           H8         A  15 -16.090  36.788 -13.821
  161   1H6     A  15          1H6         A  15 -14.277  31.029 -12.443
  162   2H6     A  15          2H6         A  15 -15.369  32.329 -12.015
  163    H2     A  15           H2         A  15 -11.855  32.512 -15.917
  164   1H5*    C  16          1H5*        C  16 -15.845  36.639 -21.619
  165   2H5*    C  16          2H5*        C  16 -17.560  36.572 -22.105
  166    H4*    C  16           H4*        C  16 -16.362  34.630 -22.966
  167    H3*    C  16           H3*        C  16 -18.201  33.936 -20.657
  168    H2*    C  16           H2*        C  16 -17.687  31.645 -21.050
  169   2HO*    C  16          2HO*        C  16 -16.458  32.565 -23.470
  170    H1*    C  16           H1*        C  16 -14.988  32.153 -21.621
  171   1H4     C  16          1H4         C  16 -15.509  30.077 -15.577
  172   2H4     C  16          2H4         C  16 -15.161  31.715 -15.079
  173    H5     C  16           H5         C  16 -15.013  33.574 -16.651
  174    H6     C  16           H6         C  16 -15.250  34.226 -18.976
  175   1H5*    G  17          1H5*        G  17 -18.983  31.431 -24.094
  176   2H5*    G  17          2H5*        G  17 -20.654  30.813 -24.095
  177    H4*    G  17           H4*        G  17 -18.617  29.151 -24.005
  178    H3*    G  17           H3*        G  17 -21.072  28.934 -22.253
  179    H2*    G  17           H2*        G  17 -20.170  26.921 -21.308
  180   2HO*    G  17          2HO*        G  17 -18.181  26.078 -22.155
  181    H1*    G  17           H1*        G  17 -17.667  27.951 -20.950
  182    H8     G  17           H8         G  17 -19.500  31.012 -20.175
  183    H1     G  17           H1         G  17 -20.672  26.556 -15.745
  184   1H2     G  17          1H2         G  17 -20.003  24.567 -16.450
  185   2H2     G  17          2H2         G  17 -19.267  24.337 -18.020
  186   1H5*    G  18          1H5*        G  18 -20.366  25.033 -23.507
  187   2H5*    G  18          2H5*        G  18 -21.800  24.473 -24.408
  188    H4*    G  18           H4*        G  18 -21.043  22.794 -22.779
  189    H3*    G  18           H3*        G  18 -23.682  24.131 -22.166
  190    H2*    G  18           H2*        G  18 -23.943  22.736 -20.264
  191   2HO*    G  18          2HO*        G  18 -22.491  20.961 -19.931
  192    H1*    G  18           H1*        G  18 -21.279  22.856 -19.493
  193    H8     G  18           H8         G  18 -22.202  26.337 -20.521
  194    H1     G  18           H1         G  18 -24.609  24.744 -14.813
  195   1H2     G  18          1H2         G  18 -24.404  22.572 -14.474
  196   2H2     G  18          2H2         G  18 -23.673  21.509 -15.657
  197   1H5*    G  19          1H5*        G  19 -27.741  22.471 -23.327
  198   2H5*    G  19          2H5*        G  19 -27.699  24.141 -22.699
  199    H4*    G  19           H4*        G  19 -27.512  21.531 -21.184
  200    H3*    G  19           H3*        G  19 -29.190  24.039 -20.889
  201    H2*    G  19           H2*        G  19 -29.482  23.481 -18.590
  202   2HO*    G  19          2HO*        G  19 -29.032  21.441 -17.816
  203    H1*    G  19           H1*        G  19 -26.847  22.585 -18.275
  204    H8     G  19           H8         G  19 -26.312  25.736 -20.116
  205    H1     G  19           H1         G  19 -28.425  26.893 -14.188
  206   1H2     G  19          1H2         G  19 -29.189  25.040 -13.271
  207   2H2     G  19          2H2         G  19 -29.190  23.510 -14.118
  208   1H5*    U  20          1H5*        U  20 -33.897  23.682 -22.149
  209   2H5*    U  20          2H5*        U  20 -32.972  25.137 -21.693
  210    H4*    U  20           H4*        U  20 -34.981  25.170 -20.417
  211    H3*    U  20           H3*        U  20 -32.673  24.166 -18.739
  212    H2*    U  20           H2*        U  20 -34.137  23.981 -16.885
  213   2HO*    U  20          2HO*        U  20 -35.140  26.043 -17.102
  214    H1*    U  20           H1*        U  20 -36.405  23.278 -18.405
  215    H3     U  20           H3         U  20 -36.070  19.562 -15.894
  216    H5     U  20           H5         U  20 -32.482  19.546 -18.092
  217    H6     U  20           H6         U  20 -33.099  21.706 -19.002
  218   1H5*    G  21          1H5*        G  21 -33.626  27.531 -14.614
  219   2H5*    G  21          2H5*        G  21 -31.959  26.970 -14.918
  220    H4*    G  21           H4*        G  21 -34.158  25.683 -13.432
  221    H3*    G  21           H3*        G  21 -31.155  25.382 -13.507
  222    H2*    G  21           H2*        G  21 -31.368  23.310 -12.356
  223   2HO*    G  21          2HO*        G  21 -33.388  22.708 -11.429
  224    H1*    G  21           H1*        G  21 -33.690  22.542 -13.713
  225    H8     G  21           H8         G  21 -31.240  23.885 -16.236
  226    H1     G  21           H1         G  21 -29.963  17.888 -14.430
  227   1H2     G  21          1H2         G  21 -31.203  17.331 -12.686
  228   2H2     G  21          2H2         G  21 -32.342  18.440 -11.958
  229   1H5*    A  22          1H5*        A  22 -32.610  24.737  -9.594
  230   2H5*    A  22          2H5*        A  22 -31.549  25.390  -8.315
  231    H4*    A  22           H4*        A  22 -32.086  23.003  -7.948
  232    H3*    A  22           H3*        A  22 -29.211  23.678  -8.602
  233    H2*    A  22           H2*        A  22 -28.602  21.399  -8.373
  234   2HO*    A  22          2HO*        A  22 -31.234  21.058  -7.287
  235    H1*    A  22           H1*        A  22 -30.827  20.403  -9.657
  236    H8     A  22           H8         A  22 -29.223  23.598 -11.151
  237   1H6     A  22          1H6         A  22 -26.098  19.731 -14.816
  238   2H6     A  22          2H6         A  22 -26.437  21.409 -14.456
  239    H2     A  22           H2         A  22 -28.439  17.305 -11.870
  240   1H5*    C  23          1H5*        C  23 -25.865  24.311  -5.819
  241   2H5*    C  23          2H5*        C  23 -25.800  25.394  -7.236
  242    H4*    C  23           H4*        C  23 -25.699  22.389  -7.124
  243    H3*    C  23           H3*        C  23 -24.061  24.542  -8.461
  244    H2*    C  23           H2*        C  23 -23.487  23.031 -10.215
  245   2HO*    C  23          2HO*        C  23 -24.836  21.048  -8.653
  246    H1*    C  23           H1*        C  23 -25.982  22.105 -10.601
  247   1H4     C  23          1H4         C  23 -25.464  27.330 -14.257
  248   2H4     C  23          2H4         C  23 -26.087  28.312 -12.949
  249    H5     C  23           H5         C  23 -26.524  27.414 -10.700
  250    H6     C  23           H6         C  23 -26.452  25.432  -9.333
  251   1H5*    C  24          1H5*        C  24 -21.767  20.920  -8.704
  252   2H5*    C  24          2H5*        C  24 -20.058  21.302  -8.365
  253    H4*    C  24           H4*        C  24 -20.479  20.115 -10.552
  254    H3*    C  24           H3*        C  24 -19.225  22.869 -10.649
  255    H2*    C  24           H2*        C  24 -18.918  22.548 -13.007
  256   2HO*    C  24          2HO*        C  24 -19.878  19.886 -12.575
  257    H1*    C  24           H1*        C  24 -21.450  21.526 -13.388
  258   1H4     C  24          1H4         C  24 -21.804  27.845 -14.385
  259   2H4     C  24          2H4         C  24 -22.357  28.045 -12.742
  260    H5     C  24           H5         C  24 -22.427  26.204 -11.121
  261    H6     C  24           H6         C  24 -21.959  23.869 -10.798
  262   1H5*    G  25          1H5*        G  25 -16.378  20.248 -12.682
  263   2H5*    G  25          2H5*        G  25 -14.725  20.865 -12.402
  264    H4*    G  25           H4*        G  25 -15.619  20.660 -14.844
  265    H3*    G  25           H3*        G  25 -14.325  23.195 -13.805
  266    H2*    G  25           H2*        G  25 -14.445  24.054 -16.042
  267   2HO*    G  25          2HO*        G  25 -15.359  21.428 -16.743
  268    H1*    G  25           H1*        G  25 -17.038  23.212 -16.409
  269    H8     G  25           H8         G  25 -17.133  24.270 -12.857
  270    H1     G  25           H1         G  25 -16.500  29.277 -16.776
  271   1H2     G  25          1H2         G  25 -15.972  28.597 -18.815
  272   2H2     G  25          2H2         G  25 -15.774  26.903 -19.206
  273   1H5*    U  26          1H5*        U  26 -12.366  23.055 -17.191
  274   2H5*    U  26          2H5*        U  26 -10.605  23.119 -16.907
  275    H4*    U  26           H4*        U  26 -11.531  24.912 -18.440
  276    H3*    U  26           H3*        U  26 -10.125  25.767 -15.897
  277    H2*    U  26           H2*        U  26 -10.323  28.027 -16.630
  278   2HO*    U  26          2HO*        U  26 -11.066  28.482 -18.764
  279    H1*    U  26           H1*        U  26 -12.908  27.697 -17.620
  280    H3     U  26           H3         U  26 -12.619  30.513 -13.910
  281    H5     U  26           H5         U  26 -13.647  26.677 -12.505
  282    H6     U  26           H6         U  26 -13.147  25.804 -14.707
  283   1H5*    G  27          1H5*        G  27  -8.503  27.874 -19.152
  284   2H5*    G  27          2H5*        G  27  -6.731  28.040 -19.034
  285    H4*    G  27           H4*        G  27  -8.231  30.176 -19.297
  286    H3*    G  27           H3*        G  27  -5.699  29.828 -17.929
  287    H2*    G  27           H2*        G  27  -6.533  30.543 -15.865
  288   2HO*    G  27          2HO*        G  27  -5.364  32.424 -16.603
  289    H1*    G  27           H1*        G  27  -8.771  32.042 -17.278
  290    H8     G  27           H8         G  27  -8.771  29.227 -14.613
  291    H1     G  27           H1         G  27 -11.240  34.796 -12.632
  292   1H2     G  27          1H2         G  27 -10.976  36.351 -14.172
  293   2H2     G  27          2H2         G  27 -10.182  36.029 -15.700
  294   1H5*    G  28          1H5*        G  28  -3.814  29.817 -22.274
  295   2H5*    G  28          2H5*        G  28  -2.860  30.591 -20.988
  296    H4*    G  28           H4*        G  28  -3.894  31.787 -23.567
  297    H3*    G  28           H3*        G  28  -1.161  31.366 -22.363
  298    H2*    G  28           H2*        G  28  -0.361  33.464 -23.156
  299   2HO*    G  28          2HO*        G  28  -2.851  33.660 -24.562
  300    H1*    G  28           H1*        G  28  -2.500  34.913 -22.429
  301    H8     G  28           H8         G  28  -2.187  32.059 -19.902
  302    H1     G  28           H1         G  28   1.767  36.935 -18.726
  303   1H2     G  28          1H2         G  28   1.773  38.368 -20.407
  304   2H2     G  28          2H2         G  28   0.794  38.126 -21.840
  305   1H5*    U  29          1H5*        U  29  -0.091  33.143 -25.886
  306   2H5*    U  29          2H5*        U  29   0.985  32.032 -26.771
  307    H4*    U  29           H4*        U  29   2.023  34.232 -26.591
  308    H3*    U  29           H3*        U  29   3.297  32.145 -24.804
  309    H2*    U  29           H2*        U  29   4.961  33.747 -24.226
  310   2HO*    U  29          2HO*        U  29   5.130  35.711 -25.333
  311    H1*    U  29           H1*        U  29   3.185  35.824 -23.928
  312    H3     U  29           H3         U  29   4.598  34.784 -19.731
  313    H5     U  29           H5         U  29   1.664  31.891 -20.618
  314    H6     U  29           H6         U  29   1.614  32.729 -22.884
  315   1H5*    C  30          1H5*        C  30   6.401  34.081 -27.317
  316   2H5*    C  30          2H5*        C  30   7.759  32.941 -27.524
  317    H4*    C  30           H4*        C  30   8.295  35.212 -26.468
  318    H3*    C  30           H3*        C  30   8.981  32.668 -24.976
  319    H2*    C  30           H2*        C  30  10.096  34.029 -23.354
  320   2HO*    C  30          2HO*        C  30  10.395  36.273 -23.741
  321    H1*    C  30           H1*        C  30   8.102  35.978 -23.339
  322   1H4     C  30          1H4         C  30   6.796  32.088 -18.429
  323   2H4     C  30          2H4         C  30   5.906  31.032 -19.498
  324    H5     C  30           H5         C  30   5.828  31.354 -21.925
  325    H6     C  30           H6         C  30   6.585  32.738 -23.743
  326   1H5*    C  31          1H5*        C  31  12.663  34.946 -25.314
  327   2H5*    C  31          2H5*        C  31  14.054  33.835 -25.191
  328    H4*    C  31           H4*        C  31  13.706  35.663 -23.360
  329    H3*    C  31           H3*        C  31  14.180  32.757 -22.661
  330    H2*    C  31           H2*        C  31  14.265  33.423 -20.365
  331   2HO*    C  31          2HO*        C  31  14.271  35.688 -19.842
  332    H1*    C  31           H1*        C  31  12.169  35.282 -20.651
  333   1H4     C  31          1H4         C  31   9.698  29.917 -18.107
  334   2H4     C  31          2H4         C  31   9.241  29.408 -19.715
  335    H5     C  31           H5         C  31   9.910  30.612 -21.739
  336    H6     C  31           H6         C  31  11.132  32.513 -22.582
  337   1H5*    U  32          1H5*        U  32  17.093  34.543 -20.319
  338   2H5*    U  32          2H5*        U  32  18.654  33.757 -20.677
  339    H4*    U  32           H4*        U  32  18.200  33.747 -18.270
  340    H3*    U  32           H3*        U  32  17.997  31.032 -19.589
  341    H2*    U  32           H2*        U  32  17.679  30.069 -17.431
  342   2HO*    U  32          2HO*        U  32  18.014  31.320 -15.547
  343    H1*    U  32           H1*        U  32  16.034  32.138 -16.527
  344    H3     U  32           H3         U  32  13.552  28.294 -16.832
  345    H5     U  32           H5         U  32  13.503  29.967 -20.692
  346    H6     U  32           H6         U  32  15.172  31.550 -19.952
  347   1H5*    C  33          1H5*        C  33  20.667  30.522 -16.339
  348   2H5*    C  33          2H5*        C  33  22.130  29.678 -16.913
  349    H4*    C  33           H4*        C  33  21.169  28.643 -14.877
  350    H3*    C  33           H3*        C  33  21.039  26.989 -17.406
  351    H2*    C  33           H2*        C  33  20.130  25.199 -16.148
  352   2HO*    C  33          2HO*        C  33  20.198  25.231 -13.860
  353    H1*    C  33           H1*        C  33  18.626  26.827 -14.454
  354   1H4     C  33          1H4         C  33  14.177  24.970 -18.588
  355   2H4     C  33          2H4         C  33  15.281  25.084 -19.940
  356    H5     C  33           H5         C  33  17.609  25.814 -19.696
  357    H6     C  33           H6         C  33  19.270  26.587 -18.120
  358   1H5*    C  34          1H5*        C  34  22.882  24.803 -14.077
  359   2H5*    C  34          2H5*        C  34  23.983  23.536 -14.678
  360    H4*    C  34           H4*        C  34  21.953  22.866 -13.161
  361    H3*    C  34           H3*        C  34  22.518  21.457 -15.781
  362    H2*    C  34           H2*        C  34  20.793  19.915 -15.187
  363   2HO*    C  34          2HO*        C  34  19.949  19.848 -13.103
  364    H1*    C  34           H1*        C  34  19.121  21.921 -14.156
  365   1H4     C  34          1H4         C  34  17.103  20.656 -20.091
  366   2H4     C  34          2H4         C  34  18.236  21.828 -20.729
  367    H5     C  34           H5         C  34  19.909  22.967 -19.322
  368    H6     C  34           H6         C  34  20.748  23.200 -17.087
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   2.010  15.486 -14.578
    2   2H5*    G   1          2H5*        G   1   3.378  15.488 -15.691
    3    H4*    G   1           H4*        G   1   3.469  14.559 -12.812
    4    H3*    G   1           H3*        G   1   4.398  17.140 -14.094
    5    H2*    G   1           H2*        G   1   6.189  17.215 -12.502
    6   2HO*    G   1          2HO*        G   1   6.242  15.840 -10.745
    7    H1*    G   1           H1*        G   1   6.838  14.569 -12.815
    8    H8     G   1           H8         G   1   6.174  15.035 -16.313
    9    H1     G   1           H1         G   1  10.969  18.885 -14.556
   10   1H2     G   1          1H2         G   1  11.059  19.047 -12.352
   11   2H2     G   1          2H2         G   1   9.933  18.208 -11.309
   12   1H5*    G   2          1H5*        G   2   4.471  18.037  -9.936
   13   2H5*    G   2          2H5*        G   2   3.690  19.621  -9.676
   14    H4*    G   2           H4*        G   2   6.005  19.395  -8.697
   15    H3*    G   2           H3*        G   2   5.543  21.518 -10.808
   16    H2*    G   2           H2*        G   2   7.769  22.298 -10.393
   17   2HO*    G   2          2HO*        G   2   8.997  21.382  -8.686
   18    H1*    G   2           H1*        G   2   8.855  19.786 -10.396
   19    H8     G   2           H8         G   2   6.283  19.460 -13.062
   20    H1     G   2           H1         G   2  11.127  23.214 -14.895
   21   1H2     G   2          1H2         G   2  12.372  23.777 -13.153
   22   2H2     G   2          2H2         G   2  12.013  23.216 -11.536
   23   1H5*    A   3          1H5*        A   3   7.485  23.614  -8.130
   24   2H5*    A   3          2H5*        A   3   6.789  25.232  -7.851
   25    H4*    A   3           H4*        A   3   9.232  24.999  -8.788
   26    H3*    A   3           H3*        A   3   7.170  26.832 -10.022
   27    H2*    A   3           H2*        A   3   8.745  27.497 -11.600
   28   2HO*    A   3          2HO*        A   3  11.046  27.229 -11.166
   29    H1*    A   3           H1*        A   3  10.286  25.015 -11.375
   30    H8     A   3           H8         A   3   7.097  23.998 -12.785
   31   1H6     A   3          1H6         A   3   8.759  26.488 -18.226
   32   2H6     A   3          2H6         A   3   7.622  25.425 -17.423
   33    H2     A   3           H2         A   3  11.572  27.981 -15.082
   34   1H5*    G   4          1H5*        G   4  10.751  29.198  -8.751
   35   2H5*    G   4          2H5*        G   4  10.147  30.755  -8.123
   36    H4*    G   4           H4*        G   4  11.986  31.092  -9.712
   37    H3*    G   4           H3*        G   4   9.297  31.915 -10.837
   38    H2*    G   4           H2*        G   4  10.528  32.895 -12.652
   39   2HO*    G   4          2HO*        G   4  12.809  32.994 -12.563
   40    H1*    G   4           H1*        G   4  12.241  30.703 -12.845
   41    H8     G   4           H8         G   4   8.742  29.401 -12.243
   42    H1     G   4           H1         G   4   9.736  31.302 -18.275
   43   1H2     G   4          1H2         G   4  11.643  32.420 -18.418
   44   2H2     G   4          2H2         G   4  12.670  32.684 -17.029
   45   1H5*    G   5          1H5*        G   5  11.987  35.180 -10.989
   46   2H5*    G   5          2H5*        G   5  11.156  36.733 -10.713
   47    H4*    G   5           H4*        G   5  12.550  36.604 -12.820
   48    H3*    G   5           H3*        G   5   9.578  37.072 -13.176
   49    H2*    G   5           H2*        G   5  10.070  37.499 -15.477
   50   2HO*    G   5          2HO*        G   5  12.276  37.702 -16.151
   51    H1*    G   5           H1*        G   5  12.060  35.483 -15.564
   52    H8     G   5           H8         G   5   9.176  33.699 -14.058
   53    H1     G   5           H1         G   5   8.064  35.019 -20.206
   54   1H2     G   5          1H2         G   5   9.525  36.475 -20.984
   55   2H2     G   5          2H2         G   5  10.791  37.154 -19.983
   56   1H5*    A   6          1H5*        A   6  11.425  40.265 -15.299
   57   2H5*    A   6          2H5*        A   6  10.671  41.764 -14.695
   58    H4*    A   6           H4*        A   6  10.657  41.799 -17.109
   59    H3*    A   6           H3*        A   6   7.912  41.163 -15.991
   60    H2*    A   6           H2*        A   6   7.070  41.303 -18.213
   61   2HO*    A   6          2HO*        A   6   8.348  42.133 -19.892
   62    H1*    A   6           H1*        A   6   9.243  39.999 -19.340
   63    H8     A   6           H8         A   6   8.069  38.327 -16.096
   64   1H6     A   6          1H6         A   6   4.068  35.230 -19.689
   65   2H6     A   6          2H6         A   6   4.738  35.377 -18.082
   66    H2     A   6           H2         A   6   6.103  38.401 -22.176
   67   1H5*    C   7          1H5*        C   7   7.637  44.571 -18.805
   68   2H5*    C   7          2H5*        C   7   6.208  45.538 -18.362
   69    H4*    C   7           H4*        C   7   6.294  44.536 -20.741
   70    H3*    C   7           H3*        C   7   3.936  43.935 -18.947
   71    H2*    C   7           H2*        C   7   2.888  43.008 -20.946
   72   2HO*    C   7          2HO*        C   7   4.014  43.130 -22.946
   73    H1*    C   7           H1*        C   7   5.160  41.612 -21.605
   74   1H4     C   7          1H4         C   7   1.643  37.607 -18.123
   75   2H4     C   7          2H4         C   7   2.295  38.282 -16.647
   76    H5     C   7           H5         C   7   3.768  40.212 -16.604
   77    H6     C   7           H6         C   7   4.933  41.854 -17.984
   78   1H5*    A   8          1H5*        A   8   0.546  44.329 -18.419
   79   2H5*    A   8          2H5*        A   8   2.053  43.779 -19.185
   80    H4*    A   8           H4*        A   8   0.552  44.119 -21.385
   81    H3*    A   8           H3*        A   8  -1.438  43.671 -19.198
   82    H2*    A   8           H2*        A   8  -2.563  41.957 -20.433
   83   2HO*    A   8          2HO*        A   8  -1.917  41.520 -22.610
   84    H1*    A   8           H1*        A   8  -0.371  40.634 -21.210
   85    H8     A   8           H8         A   8   0.450  42.295 -17.937
   86   1H6     A   8          1H6         A   8  -2.099  37.364 -15.201
   87   2H6     A   8          2H6         A   8  -1.155  38.812 -14.943
   88    H2     A   8           H2         A   8  -3.006  37.200 -19.597
   89   1H5*    U   9          1H5*        U   9  -3.366  43.191 -23.336
   90   2H5*    U   9          2H5*        U   9  -4.639  44.428 -23.201
   91    H4*    U   9           H4*        U   9  -5.586  42.356 -24.064
   92    H3*    U   9           H3*        U   9  -6.366  42.991 -21.217
   93    H2*    U   9           H2*        U   9  -7.782  41.093 -21.325
   94   2HO*    U   9          2HO*        U   9  -8.633  41.658 -23.433
   95    H1*    U   9           H1*        U   9  -6.089  39.549 -22.930
   96    H3     U   9           H3         U   9  -6.195  36.928 -19.275
   97    H5     U   9           H5         U   9  -4.197  40.379 -17.953
   98    H6     U   9           H6         U   9  -4.639  41.386 -20.109
   99   1H5*    C  10          1H5*        C  10  -9.197  42.494 -21.418
  100   2H5*    C  10          2H5*        C  10 -10.471  43.666 -21.010
  101    H4*    C  10           H4*        C  10 -10.247  43.347 -18.753
  102    H3*    C  10           H3*        C  10  -7.365  43.081 -19.202
  103    H2*    C  10           H2*        C  10  -7.400  40.747 -18.951
  104   2HO*    C  10          2HO*        C  10  -7.322  40.064 -16.806
  105    H1*    C  10           H1*        C  10  -9.976  41.003 -17.373
  106   1H4     C  10          1H4         C  10 -10.557  34.759 -18.336
  107   2H4     C  10          2H4         C  10  -9.412  34.794 -19.658
  108    H5     C  10           H5         C  10  -8.341  36.865 -20.428
  109    H6     C  10           H6         C  10  -8.179  39.239 -20.083
  110   1H5*    C  11          1H5*        C  11  -4.483  43.547 -16.954
  111   2H5*    C  11          2H5*        C  11  -6.090  42.787 -16.897
  112    H4*    C  11           H4*        C  11  -5.126  44.826 -14.888
  113    H3*    C  11           H3*        C  11  -4.173  42.150 -14.948
  114    H2*    C  11           H2*        C  11  -6.309  41.221 -14.398
  115   2HO*    C  11          2HO*        C  11  -4.925  40.705 -12.623
  116    H1*    C  11           H1*        C  11  -6.757  43.655 -12.637
  117   1H4     C  11          1H4         C  11 -12.590  41.226 -11.971
  118   2H4     C  11          2H4         C  11 -12.696  40.874 -13.679
  119    H5     C  11           H5         C  11 -10.846  41.266 -15.234
  120    H6     C  11           H6         C  11  -8.582  42.080 -15.430
  121   1H5*    C  12          1H5*        C  12  -4.014  42.251 -11.079
  122   2H5*    C  12          2H5*        C  12  -2.433  42.430 -10.270
  123    H4*    C  12           H4*        C  12  -3.825  40.414  -9.635
  124    H3*    C  12           H3*        C  12  -0.941  40.381 -10.273
  125    H2*    C  12           H2*        C  12  -1.139  38.436 -11.558
  126   2HO*    C  12          2HO*        C  12  -1.236  36.553 -10.401
  127    H1*    C  12           H1*        C  12  -3.900  37.899 -10.411
  128   1H4     C  12          1H4         C  12  -3.204  34.572 -16.061
  129   2H4     C  12          2H4         C  12  -4.755  35.327 -16.348
  130    H5     C  12           H5         C  12  -5.701  37.025 -14.861
  131    H6     C  12           H6         C  12  -5.340  38.312 -12.856
  132   1H5*    U  13          1H5*        U  13  -4.589  41.985  -6.129
  133   2H5*    U  13          2H5*        U  13  -3.904  40.350  -6.012
  134    H4*    U  13           H4*        U  13  -6.169  41.311  -7.783
  135    H3*    U  13           H3*        U  13  -6.211  39.861  -5.289
  136    H2*    U  13           H2*        U  13  -5.696  37.819  -6.421
  137   2HO*    U  13          2HO*        U  13  -7.953  37.726  -5.669
  138    H1*    U  13           H1*        U  13  -7.194  39.103  -8.724
  139    H3     U  13           H3         U  13  -6.972  35.945 -11.852
  140    H5     U  13           H5         U  13  -3.983  34.713  -9.189
  141    H6     U  13           H6         U  13  -4.409  36.708  -7.867
  142   1H5*    C  14          1H5*        C  14 -11.039  40.999  -6.983
  143   2H5*    C  14          2H5*        C  14 -12.163  39.628  -6.785
  144    H4*    C  14           H4*        C  14 -10.709  40.509  -9.143
  145    H3*    C  14           H3*        C  14 -12.959  38.555  -8.624
  146    H2*    C  14           H2*        C  14 -12.321  37.144 -10.338
  147   2HO*    C  14          2HO*        C  14 -11.427  38.056 -12.292
  148    H1*    C  14           H1*        C  14  -9.692  38.396 -10.798
  149   1H4     C  14          1H4         C  14  -9.108  31.938 -10.054
  150   2H4     C  14          2H4         C  14  -7.997  32.392  -8.786
  151    H5     C  14           H5         C  14  -7.727  34.746  -8.003
  152    H6     C  14           H6         C  14  -8.532  36.966  -8.326
  153   1H5*    A  15          1H5*        A  15 -14.434  40.256 -12.887
  154   2H5*    A  15          2H5*        A  15 -15.860  39.209 -13.096
  155    H4*    A  15           H4*        A  15 -13.202  38.889 -14.160
  156    H3*    A  15           H3*        A  15 -15.616  37.063 -14.302
  157    H2*    A  15           H2*        A  15 -14.165  35.554 -15.500
  158   2HO*    A  15          2HO*        A  15 -12.103  36.305 -16.226
  159    H1*    A  15           H1*        A  15 -11.924  36.307 -13.866
  160    H8     A  15           H8         A  15 -14.758  35.503 -11.624
  161   1H6     A  15          1H6         A  15 -13.326  29.515 -12.403
  162   2H6     A  15          2H6         A  15 -14.293  30.640 -11.473
  163    H2     A  15           H2         A  15 -11.011  31.960 -15.352
  164   1H5*    C  16          1H5*        C  16 -14.402  37.656 -18.549
  165   2H5*    C  16          2H5*        C  16 -15.861  37.435 -19.554
  166    H4*    C  16           H4*        C  16 -13.921  35.889 -20.074
  167    H3*    C  16           H3*        C  16 -16.545  34.645 -19.210
  168    H2*    C  16           H2*        C  16 -15.589  32.521 -19.766
  169   2HO*    C  16          2HO*        C  16 -13.556  32.415 -20.804
  170    H1*    C  16           H1*        C  16 -13.158  33.123 -18.579
  171   1H4     C  16          1H4         C  16 -16.353  30.101 -13.995
  172   2H4     C  16          2H4         C  16 -17.481  31.425 -13.827
  173    H5     C  16           H5         C  16 -17.428  33.412 -15.267
  174    H6     C  16           H6         C  16 -16.248  34.485 -17.101
  175   1H5*    G  17          1H5*        G  17 -15.781  32.678 -23.035
  176   2H5*    G  17          2H5*        G  17 -17.379  32.214 -23.675
  177    H4*    G  17           H4*        G  17 -15.635  30.363 -23.052
  178    H3*    G  17           H3*        G  17 -18.509  30.258 -22.106
  179    H2*    G  17           H2*        G  17 -18.029  28.082 -21.233
  180   2HO*    G  17          2HO*        G  17 -16.049  27.051 -21.736
  181    H1*    G  17           H1*        G  17 -15.511  28.828 -20.280
  182    H8     G  17           H8         G  17 -17.682  31.684 -19.300
  183    H1     G  17           H1         G  17 -18.900  26.468 -15.811
  184   1H2     G  17          1H2         G  17 -17.972  24.684 -16.738
  185   2H2     G  17          2H2         G  17 -17.041  24.786 -18.214
  186   1H5*    G  18          1H5*        G  18 -17.789  26.425 -23.778
  187   2H5*    G  18          2H5*        G  18 -19.071  26.152 -24.988
  188    H4*    G  18           H4*        G  18 -18.872  24.209 -23.534
  189    H3*    G  18           H3*        G  18 -21.346  25.860 -22.964
  190    H2*    G  18           H2*        G  18 -22.031  24.172 -21.437
  191   2HO*    G  18          2HO*        G  18 -20.987  22.141 -21.396
  192    H1*    G  18           H1*        G  18 -19.433  23.695 -20.482
  193    H8     G  18           H8         G  18 -20.112  27.424 -20.728
  194    H1     G  18           H1         G  18 -22.563  24.725 -15.462
  195   1H2     G  18          1H2         G  18 -22.433  22.523 -15.595
  196   2H2     G  18          2H2         G  18 -21.746  21.714 -16.986
  197   1H5*    G  19          1H5*        G  19 -25.678  23.854 -24.133
  198   2H5*    G  19          2H5*        G  19 -25.115  25.239 -23.157
  199    H4*    G  19           H4*        G  19 -25.431  22.385 -22.159
  200    H3*    G  19           H3*        G  19 -27.115  24.865 -21.689
  201    H2*    G  19           H2*        G  19 -27.662  23.975 -19.547
  202   2HO*    G  19          2HO*        G  19 -27.434  21.839 -19.070
  203    H1*    G  19           H1*        G  19 -25.076  22.936 -19.123
  204    H8     G  19           H8         G  19 -24.571  26.437 -20.355
  205    H1     G  19           H1         G  19 -26.622  26.282 -14.299
  206   1H2     G  19          1H2         G  19 -27.306  24.251 -13.773
  207   2H2     G  19          2H2         G  19 -27.267  22.927 -14.915
  208   1H5*    U  20          1H5*        U  20 -30.293  25.134 -20.352
  209   2H5*    U  20          2H5*        U  20 -30.029  24.013 -18.996
  210    H4*    U  20           H4*        U  20 -32.506  24.606 -20.546
  211    H3*    U  20           H3*        U  20 -31.868  23.839 -17.699
  212    H2*    U  20           H2*        U  20 -34.096  23.059 -17.425
  213   2HO*    U  20          2HO*        U  20 -35.230  24.773 -18.384
  214    H1*    U  20           H1*        U  20 -34.312  22.047 -20.047
  215    H3     U  20           H3         U  20 -34.441  19.077 -16.274
  216    H5     U  20           H5         U  20 -30.887  18.530 -18.459
  217    H6     U  20           H6         U  20 -31.377  20.594 -19.655
  218   1H5*    G  21          1H5*        G  21 -30.350  26.450 -15.193
  219   2H5*    G  21          2H5*        G  21 -30.757  25.443 -16.608
  220    H4*    G  21           H4*        G  21 -32.412  24.933 -14.219
  221    H3*    G  21           H3*        G  21 -29.442  24.430 -14.154
  222    H2*    G  21           H2*        G  21 -29.799  22.302 -13.159
  223   2HO*    G  21          2HO*        G  21 -31.833  21.734 -12.314
  224    H1*    G  21           H1*        G  21 -32.034  21.670 -14.666
  225    H8     G  21           H8         G  21 -29.374  23.329 -16.825
  226    H1     G  21           H1         G  21 -28.495  17.051 -16.004
  227   1H2     G  21          1H2         G  21 -29.890  16.273 -14.473
  228   2H2     G  21          2H2         G  21 -31.034  17.303 -13.647
  229   1H5*    A  22          1H5*        A  22 -31.005  23.573 -10.245
  230   2H5*    A  22          2H5*        A  22 -29.850  24.040  -8.964
  231    H4*    A  22           H4*        A  22 -30.500  21.652  -8.823
  232    H3*    A  22           H3*        A  22 -27.620  22.234  -9.556
  233    H2*    A  22           H2*        A  22 -27.170  19.874  -9.505
  234   2HO*    A  22          2HO*        A  22 -28.470  19.347  -7.668
  235    H1*    A  22           H1*        A  22 -29.426  19.194 -10.877
  236    H8     A  22           H8         A  22 -27.710  22.486 -11.984
  237   1H6     A  22          1H6         A  22 -24.692  18.994 -16.085
  238   2H6     A  22          2H6         A  22 -24.988  20.627 -15.531
  239    H2     A  22           H2         A  22 -27.113  16.304 -13.448
  240   1H5*    C  23          1H5*        C  23 -24.117  22.274  -6.884
  241   2H5*    C  23          2H5*        C  23 -24.012  23.569  -8.106
  242    H4*    C  23           H4*        C  23 -24.198  20.588  -8.502
  243    H3*    C  23           H3*        C  23 -22.344  22.764  -9.465
  244    H2*    C  23           H2*        C  23 -21.948  21.565 -11.492
  245   2HO*    C  23          2HO*        C  23 -22.786  19.464 -11.775
  246    H1*    C  23           H1*        C  23 -24.532  21.025 -11.992
  247   1H4     C  23          1H4         C  23 -23.387  26.843 -14.435
  248   2H4     C  23          2H4         C  23 -24.078  27.560 -12.997
  249    H5     C  23           H5         C  23 -24.751  26.235 -11.036
  250    H6     C  23           H6         C  23 -24.865  24.011 -10.117
  251   1H5*    C  24          1H5*        C  24 -20.357  19.278 -10.471
  252   2H5*    C  24          2H5*        C  24 -18.646  19.353  -9.974
  253    H4*    C  24           H4*        C  24 -18.981  18.823 -12.399
  254    H3*    C  24           H3*        C  24 -17.564  21.409 -11.718
  255    H2*    C  24           H2*        C  24 -17.158  21.726 -14.054
  256   2HO*    C  24          2HO*        C  24 -17.656  20.069 -15.547
  257    H1*    C  24           H1*        C  24 -19.702  20.970 -14.815
  258   1H4     C  24          1H4         C  24 -19.671  27.357 -14.142
  259   2H4     C  24          2H4         C  24 -20.469  27.148 -12.602
  260    H5     C  24           H5         C  24 -20.834  24.949 -11.569
  261    H6     C  24           H6         C  24 -20.471  22.586 -11.829
  262   1H5*    G  25          1H5*        G  25 -14.993  19.400 -14.396
  263   2H5*    G  25          2H5*        G  25 -13.278  19.699 -14.002
  264    H4*    G  25           H4*        G  25 -14.157  20.418 -16.331
  265    H3*    G  25           H3*        G  25 -12.656  22.323 -14.517
  266    H2*    G  25           H2*        G  25 -12.749  23.964 -16.240
  267   2HO*    G  25          2HO*        G  25 -13.465  23.405 -18.342
  268    H1*    G  25           H1*        G  25 -15.361  23.384 -16.966
  269    H8     G  25           H8         G  25 -15.369  23.294 -13.224
  270    H1     G  25           H1         G  25 -15.059  29.256 -15.501
  271   1H2     G  25          1H2         G  25 -14.584  29.242 -17.655
  272   2H2     G  25          2H2         G  25 -14.360  27.753 -18.548
  273   1H5*    U  26          1H5*        U  26 -10.851  22.595 -18.366
  274   2H5*    U  26          2H5*        U  26  -9.118  22.990 -18.215
  275    H4*    U  26           H4*        U  26 -10.710  24.659 -19.440
  276    H3*    U  26           H3*        U  26  -8.771  25.510 -17.281
  277    H2*    U  26           H2*        U  26  -9.427  27.775 -17.639
  278   2HO*    U  26          2HO*        U  26 -10.711  28.337 -19.444
  279    H1*    U  26           H1*        U  26 -12.121  27.175 -17.987
  280    H3     U  26           H3         U  26 -11.991  29.549 -14.132
  281    H5     U  26           H5         U  26 -10.559  25.746 -13.045
  282    H6     U  26           H6         U  26 -10.567  25.144 -15.390
  283   1H5*    G  27          1H5*        G  27  -8.415  28.415 -20.239
  284   2H5*    G  27          2H5*        G  27  -6.692  28.567 -20.662
  285    H4*    G  27           H4*        G  27  -7.870  30.732 -20.080
  286    H3*    G  27           H3*        G  27  -5.249  29.930 -19.290
  287    H2*    G  27           H2*        G  27  -5.738  29.890 -16.989
  288   2HO*    G  27          2HO*        G  27  -4.395  31.727 -17.131
  289    H1*    G  27           H1*        G  27  -7.874  32.006 -17.400
  290    H8     G  27           H8         G  27  -7.666  28.460 -15.801
  291    H1     G  27           H1         G  27  -9.822  33.086 -11.938
  292   1H2     G  27          1H2         G  27  -9.757  35.042 -12.961
  293   2H2     G  27          2H2         G  27  -9.179  35.215 -14.605
  294   1H5*    G  28          1H5*        G  28  -4.504  30.654 -23.234
  295   2H5*    G  28          2H5*        G  28  -2.812  30.773 -22.698
  296    H4*    G  28           H4*        G  28  -4.286  32.454 -24.531
  297    H3*    G  28           H3*        G  28  -1.416  32.181 -23.670
  298    H2*    G  28           H2*        G  28  -0.862  34.389 -24.354
  299   2HO*    G  28          2HO*        G  28  -2.392  35.643 -25.549
  300    H1*    G  28           H1*        G  28  -3.061  35.616 -23.366
  301    H8     G  28           H8         G  28  -2.585  32.972 -20.788
  302    H1     G  28           H1         G  28   1.859  37.555 -20.374
  303   1H2     G  28          1H2         G  28   1.829  38.830 -22.179
  304   2H2     G  28          2H2         G  28   0.708  38.551 -23.494
  305   1H5*    U  29          1H5*        U  29  -0.632  34.063 -27.199
  306   2H5*    U  29          2H5*        U  29   0.211  32.898 -28.254
  307    H4*    U  29           H4*        U  29   1.518  34.890 -28.272
  308    H3*    U  29           H3*        U  29   2.704  32.861 -26.364
  309    H2*    U  29           H2*        U  29   4.518  34.348 -25.963
  310   2HO*    U  29          2HO*        U  29   4.746  36.256 -27.200
  311    H1*    U  29           H1*        U  29   2.958  36.572 -25.709
  312    H3     U  29           H3         U  29   4.289  35.581 -21.490
  313    H5     U  29           H5         U  29   1.176  32.853 -22.260
  314    H6     U  29           H6         U  29   1.153  33.634 -24.548
  315   1H5*    C  30          1H5*        C  30   6.006  34.273 -29.000
  316   2H5*    C  30          2H5*        C  30   7.150  32.911 -29.140
  317    H4*    C  30           H4*        C  30   8.105  35.077 -28.215
  318    H3*    C  30           H3*        C  30   8.236  32.598 -26.477
  319    H2*    C  30           H2*        C  30   9.619  33.867 -24.978
  320   2HO*    C  30          2HO*        C  30  10.268  36.006 -25.583
  321    H1*    C  30           H1*        C  30   8.003  36.123 -25.147
  322   1H4     C  30          1H4         C  30   5.952  32.899 -20.028
  323   2H4     C  30          2H4         C  30   4.988  31.855 -21.046
  324    H5     C  30           H5         C  30   5.048  31.962 -23.492
  325    H6     C  30           H6         C  30   6.042  33.077 -25.383
  326   1H5*    C  31          1H5*        C  31  12.226  33.948 -26.768
  327   2H5*    C  31          2H5*        C  31  13.361  32.573 -26.673
  328    H4*    C  31           H4*        C  31  13.568  34.355 -24.856
  329    H3*    C  31           H3*        C  31  13.012  31.496 -24.025
  330    H2*    C  31           H2*        C  31  13.389  32.219 -21.768
  331   2HO*    C  31          2HO*        C  31  14.168  34.350 -21.371
  332    H1*    C  31           H1*        C  31  11.975  34.611 -22.150
  333   1H4     C  31          1H4         C  31   7.940  30.506 -19.368
  334   2H4     C  31          2H4         C  31   7.463  29.907 -20.940
  335    H5     C  31           H5         C  31   8.558  30.609 -23.028
  336    H6     C  31           H6         C  31  10.292  32.010 -23.964
  337   1H5*    U  32          1H5*        U  32  16.373  32.276 -21.785
  338   2H5*    U  32          2H5*        U  32  17.545  30.949 -22.015
  339    H4*    U  32           H4*        U  32  17.085  31.342 -19.633
  340    H3*    U  32           H3*        U  32  15.905  28.751 -20.670
  341    H2*    U  32           H2*        U  32  15.405  28.219 -18.388
  342   2HO*    U  32          2HO*        U  32  16.959  30.544 -17.756
  343    H1*    U  32           H1*        U  32  14.555  30.815 -17.809
  344    H3     U  32           H3         U  32  10.991  27.912 -17.621
  345    H5     U  32           H5         U  32  11.328  29.036 -21.666
  346    H6     U  32           H6         U  32  13.424  30.109 -21.125
  347   1H5*    C  33          1H5*        C  33  18.841  28.071 -17.404
  348   2H5*    C  33          2H5*        C  33  19.411  26.381 -17.415
  349    H4*    C  33           H4*        C  33  18.201  27.378 -15.296
  350    H3*    C  33           H3*        C  33  17.459  24.683 -16.459
  351    H2*    C  33           H2*        C  33  16.033  24.410 -14.557
  352   2HO*    C  33          2HO*        C  33  17.417  26.680 -13.484
  353    H1*    C  33           H1*        C  33  15.311  27.151 -14.513
  354   1H4     C  33          1H4         C  33  10.476  23.599 -16.826
  355   2H4     C  33          2H4         C  33  10.971  24.061 -18.436
  356    H5     C  33           H5         C  33  13.008  25.299 -18.896
  357    H6     C  33           H6         C  33  14.977  26.330 -17.895
  358   1H5*    C  34          1H5*        C  34  18.243  23.794 -12.502
  359   2H5*    C  34          2H5*        C  34  19.161  22.271 -12.365
  360    H4*    C  34           H4*        C  34  16.962  22.337 -11.105
  361    H3*    C  34           H3*        C  34  17.247  20.251 -13.283
  362    H2*    C  34           H2*        C  34  15.174  19.347 -12.507
  363   2HO*    C  34          2HO*        C  34  14.286  20.053 -10.511
  364    H1*    C  34           H1*        C  34  14.087  21.899 -11.960
  365   1H4     C  34          1H4         C  34  11.533  19.642 -17.388
  366   2H4     C  34          2H4         C  34  12.727  20.544 -18.295
  367    H5     C  34           H5         C  34  14.598  21.729 -17.223
  368    H6     C  34           H6         C  34  15.625  22.266 -15.107
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   4.239  15.252 -14.243
    2   2H5*    G   1          2H5*        G   1   5.411  15.438 -15.549
    3    H4*    G   1           H4*        G   1   6.000  14.253 -12.827
    4    H3*    G   1           H3*        G   1   6.601  16.991 -13.969
    5    H2*    G   1           H2*        G   1   8.620  17.020 -12.681
    6   2HO*    G   1          2HO*        G   1   7.737  16.012 -10.773
    7    H1*    G   1           H1*        G   1   9.302  14.432 -13.310
    8    H8     G   1           H8         G   1   8.173  15.156 -16.634
    9    H1     G   1           H1         G   1  13.023  19.067 -15.191
   10   1H2     G   1          1H2         G   1  13.399  19.057 -13.013
   11   2H2     G   1          2H2         G   1  12.447  18.095 -11.906
   12   1H5*    G   2          1H5*        G   2   7.188  17.487  -9.750
   13   2H5*    G   2          2H5*        G   2   6.422  19.014  -9.234
   14    H4*    G   2           H4*        G   2   8.854  18.754  -8.601
   15    H3*    G   2           H3*        G   2   8.051  21.073 -10.376
   16    H2*    G   2           H2*        G   2  10.298  21.880 -10.229
   17   2HO*    G   2          2HO*        G   2  11.797  20.819  -8.837
   18    H1*    G   2           H1*        G   2  11.429  19.426 -10.644
   19    H8     G   2           H8         G   2   8.457  19.315 -12.906
   20    H1     G   2           H1         G   2  12.979  23.271 -15.088
   21   1H2     G   2          1H2         G   2  14.491  23.667 -13.521
   22   2H2     G   2          2H2         G   2  14.390  22.941 -11.931
   23   1H5*    A   3          1H5*        A   3  10.356  22.964  -7.810
   24   2H5*    A   3          2H5*        A   3   9.669  24.519  -7.271
   25    H4*    A   3           H4*        A   3  11.934  24.529  -8.552
   26    H3*    A   3           H3*        A   3   9.619  26.267  -9.420
   27    H2*    A   3           H2*        A   3  10.955  27.153 -11.103
   28   2HO*    A   3          2HO*        A   3  13.146  26.312  -9.463
   29    H1*    A   3           H1*        A   3  12.589  24.753 -11.333
   30    H8     A   3           H8         A   3   9.166  23.746 -12.172
   31   1H6     A   3          1H6         A   3   9.873  26.490 -17.702
   32   2H6     A   3          2H6         A   3   8.878  25.395 -16.762
   33    H2     A   3           H2         A   3  13.218  27.805 -15.036
   34   1H5*    G   4          1H5*        G   4  13.082  28.983  -8.560
   35   2H5*    G   4          2H5*        G   4  12.366  30.455  -7.853
   36    H4*    G   4           H4*        G   4  13.914  30.953  -9.719
   37    H3*    G   4           H3*        G   4  11.009  31.535 -10.358
   38    H2*    G   4           H2*        G   4  11.833  32.641 -12.322
   39   2HO*    G   4          2HO*        G   4  14.072  32.997 -12.586
   40    H1*    G   4           H1*        G   4  13.744  30.641 -12.798
   41    H8     G   4           H8         G   4  10.533  28.913 -11.876
   42    H1     G   4           H1         G   4  10.492  31.259 -17.833
   43   1H2     G   4          1H2         G   4  12.215  32.621 -18.123
   44   2H2     G   4          2H2         G   4  13.372  32.939 -16.854
   45   1H5*    G   5          1H5*        G   5  13.486  35.082 -10.758
   46   2H5*    G   5          2H5*        G   5  12.538  36.543 -10.373
   47    H4*    G   5           H4*        G   5  13.769  36.497 -12.624
   48    H3*    G   5           H3*        G   5  10.772  36.937 -12.621
   49    H2*    G   5           H2*        G   5  11.001  37.457 -14.947
   50   2HO*    G   5          2HO*        G   5  13.098  37.716 -15.860
   51    H1*    G   5           H1*        G   5  12.944  35.442 -15.343
   52    H8     G   5           H8         G   5  10.306  33.599 -13.519
   53    H1     G   5           H1         G   5   8.311  35.176 -19.385
   54   1H2     G   5          1H2         G   5   9.646  36.678 -20.297
   55   2H2     G   5          2H2         G   5  11.049  37.309 -19.459
   56   1H5*    A   6          1H5*        A   6  12.350  40.242 -14.806
   57   2H5*    A   6          2H5*        A   6  11.659  41.705 -14.056
   58    H4*    A   6           H4*        A   6  11.404  41.822 -16.468
   59    H3*    A   6           H3*        A   6   8.784  41.203 -15.073
   60    H2*    A   6           H2*        A   6   7.710  41.465 -17.193
   61   2HO*    A   6          2HO*        A   6   8.895  42.271 -18.985
   62    H1*    A   6           H1*        A   6   9.718  40.130 -18.581
   63    H8     A   6           H8         A   6   8.969  38.280 -15.344
   64   1H6     A   6          1H6         A   6   4.276  35.620 -18.400
   65   2H6     A   6          2H6         A   6   5.226  35.605 -16.934
   66    H2     A   6           H2         A   6   5.951  38.931 -20.944
   67   1H5*    C   7          1H5*        C   7   8.296  44.646 -17.709
   68   2H5*    C   7          2H5*        C   7   7.117  45.761 -16.974
   69    H4*    C   7           H4*        C   7   6.627  44.970 -19.357
   70    H3*    C   7           H3*        C   7   4.579  44.508 -17.173
   71    H2*    C   7           H2*        C   7   3.091  43.698 -18.849
   72   2HO*    C   7          2HO*        C   7   3.640  43.944 -21.083
   73    H1*    C   7           H1*        C   7   5.106  42.381 -20.286
   74   1H4     C   7          1H4         C   7   2.225  37.832 -16.860
   75   2H4     C   7          2H4         C   7   3.021  38.376 -15.403
   76    H5     C   7           H5         C   7   4.447  40.361 -15.331
   77    H6     C   7           H6         C   7   5.372  42.174 -16.642
   78   1H5*    A   8          1H5*        A   8   0.447  47.305 -18.999
   79   2H5*    A   8          2H5*        A   8   0.506  45.779 -18.078
   80    H4*    A   8           H4*        A   8   0.215  46.149 -21.059
   81    H3*    A   8           H3*        A   8  -1.541  45.032 -18.904
   82    H2*    A   8           H2*        A   8  -2.322  43.281 -20.330
   83   2HO*    A   8          2HO*        A   8  -1.703  43.243 -22.546
   84    H1*    A   8           H1*        A   8   0.061  42.539 -21.248
   85    H8     A   8           H8         A   8   0.966  43.876 -17.927
   86   1H6     A   8          1H6         A   8  -1.021  38.545 -15.476
   87   2H6     A   8          2H6         A   8  -0.125  40.015 -15.170
   88    H2     A   8           H2         A   8  -2.407  38.750 -19.736
   89   1H5*    U   9          1H5*        U   9  -3.541  45.466 -22.506
   90   2H5*    U   9          2H5*        U   9  -5.290  45.816 -22.493
   91    H4*    U   9           H4*        U   9  -4.334  43.620 -23.630
   92    H3*    U   9           H3*        U   9  -6.959  44.130 -22.915
   93    H2*    U   9           H2*        U   9  -6.245  43.723 -20.567
   94   2HO*    U   9          2HO*        U   9  -8.110  42.117 -21.752
   95    H1*    U   9           H1*        U   9  -5.439  41.084 -21.703
   96    H3     U   9           H3         U   9  -5.187  39.195 -17.589
   97    H5     U   9           H5         U   9  -3.135  42.832 -17.139
   98    H6     U   9           H6         U   9  -3.778  43.398 -19.385
   99   1H5*    C  10          1H5*        C  10  -7.126  40.260 -21.880
  100   2H5*    C  10          2H5*        C  10  -7.651  39.201 -23.199
  101    H4*    C  10           H4*        C  10  -8.705  38.148 -21.507
  102    H3*    C  10           H3*        C  10 -10.526  39.702 -22.868
  103    H2*    C  10           H2*        C  10 -10.590  41.500 -21.344
  104   2HO*    C  10          2HO*        C  10 -12.347  39.747 -19.968
  105    H1*    C  10           H1*        C  10 -10.394  39.635 -18.998
  106   1H4     C  10          1H4         C  10  -9.341  45.617 -16.664
  107   2H4     C  10          2H4         C  10  -7.673  45.111 -16.555
  108    H5     C  10           H5         C  10  -6.861  43.005 -17.508
  109    H6     C  10           H6         C  10  -7.492  41.026 -18.737
  110   1H5*    C  11          1H5*        C  11  -8.556  35.924 -18.590
  111   2H5*    C  11          2H5*        C  11  -9.981  36.667 -17.809
  112    H4*    C  11           H4*        C  11  -7.604  38.358 -18.536
  113    H3*    C  11           H3*        C  11  -7.742  36.424 -16.248
  114    H2*    C  11           H2*        C  11  -7.838  38.151 -14.689
  115   2HO*    C  11          2HO*        C  11  -6.191  39.669 -14.561
  116    H1*    C  11           H1*        C  11  -7.636  40.261 -16.874
  117   1H4     C  11          1H4         C  11 -11.334  42.594 -11.999
  118   2H4     C  11          2H4         C  11 -12.438  42.854 -13.329
  119    H5     C  11           H5         C  11 -12.033  41.974 -15.586
  120    H6     C  11           H6         C  11 -10.510  40.701 -16.947
  121   1H5*    C  12          1H5*        C  12  -4.273  38.084 -15.983
  122   2H5*    C  12          2H5*        C  12  -2.569  37.658 -15.709
  123    H4*    C  12           H4*        C  12  -4.581  37.914 -13.787
  124    H3*    C  12           H3*        C  12  -1.747  37.362 -13.736
  125    H2*    C  12           H2*        C  12  -2.008  35.099 -13.169
  126   2HO*    C  12          2HO*        C  12  -2.020  34.801 -10.981
  127    H1*    C  12           H1*        C  12  -4.713  35.700 -11.922
  128   1H4     C  12          1H4         C  12  -4.150  29.185 -12.849
  129   2H4     C  12          2H4         C  12  -5.765  29.449 -13.463
  130    H5     C  12           H5         C  12  -6.713  31.683 -13.783
  131    H6     C  12           H6         C  12  -6.301  34.054 -13.578
  132   1H5*    U  13          1H5*        U  13  -4.394  41.145 -10.037
  133   2H5*    U  13          2H5*        U  13  -3.630  39.536 -10.042
  134    H4*    U  13           H4*        U  13  -6.163  39.999 -11.590
  135    H3*    U  13           H3*        U  13  -6.142  40.329  -8.716
  136    H2*    U  13           H2*        U  13  -5.906  37.975  -8.405
  137   2HO*    U  13          2HO*        U  13  -8.048  38.557  -7.649
  138    H1*    U  13           H1*        U  13  -7.478  37.780 -10.993
  139    H3     U  13           H3         U  13  -7.642  33.358 -11.639
  140    H5     U  13           H5         U  13  -4.695  33.714  -8.680
  141    H6     U  13           H6         U  13  -4.919  36.125  -8.820
  142   1H5*    C  14          1H5*        C  14 -11.774  40.721  -8.784
  143   2H5*    C  14          2H5*        C  14 -12.053  38.962  -8.888
  144    H4*    C  14           H4*        C  14 -11.446  40.942 -11.019
  145    H3*    C  14           H3*        C  14 -13.402  38.765 -10.653
  146    H2*    C  14           H2*        C  14 -12.939  37.474 -12.506
  147   2HO*    C  14          2HO*        C  14 -11.893  39.871 -13.633
  148    H1*    C  14           H1*        C  14 -10.285  37.992 -13.015
  149   1H4     C  14          1H4         C  14 -10.588  32.634  -9.336
  150   2H4     C  14          2H4         C  14  -9.424  33.466  -8.335
  151    H5     C  14           H5         C  14  -8.804  35.882  -8.697
  152    H6     C  14           H6         C  14  -9.302  37.800 -10.040
  153   1H5*    A  15          1H5*        A  15 -14.868  40.191 -14.861
  154   2H5*    A  15          2H5*        A  15 -16.362  39.224 -15.011
  155    H4*    A  15           H4*        A  15 -13.800  38.656 -16.087
  156    H3*    A  15           H3*        A  15 -16.204  36.840 -15.799
  157    H2*    A  15           H2*        A  15 -14.827  35.149 -16.830
  158   2HO*    A  15          2HO*        A  15 -12.893  35.701 -17.861
  159    H1*    A  15           H1*        A  15 -12.513  36.083 -15.429
  160    H8     A  15           H8         A  15 -15.342  35.817 -13.028
  161   1H6     A  15          1H6         A  15 -14.113  29.758 -12.631
  162   2H6     A  15          2H6         A  15 -15.027  31.082 -11.942
  163    H2     A  15           H2         A  15 -11.752  31.495 -16.032
  164   1H5*    C  16          1H5*        C  16 -14.810  36.657 -19.858
  165   2H5*    C  16          2H5*        C  16 -16.184  36.542 -20.993
  166    H4*    C  16           H4*        C  16 -14.525  34.773 -21.404
  167    H3*    C  16           H3*        C  16 -17.128  33.777 -20.221
  168    H2*    C  16           H2*        C  16 -16.326  31.551 -20.583
  169   2HO*    C  16          2HO*        C  16 -14.339  31.234 -21.717
  170    H1*    C  16           H1*        C  16 -13.778  32.137 -19.656
  171   1H4     C  16          1H4         C  16 -16.694  29.930 -14.463
  172   2H4     C  16          2H4         C  16 -17.807  31.275 -14.438
  173    H5     C  16           H5         C  16 -17.829  33.016 -16.165
  174    H6     C  16           H6         C  16 -16.753  33.785 -18.201
  175   1H5*    G  17          1H5*        G  17 -16.709  31.489 -23.699
  176   2H5*    G  17          2H5*        G  17 -18.301  31.135 -24.416
  177    H4*    G  17           H4*        G  17 -16.907  29.125 -23.722
  178    H3*    G  17           H3*        G  17 -19.636  29.495 -22.463
  179    H2*    G  17           H2*        G  17 -19.354  27.321 -21.492
  180   2HO*    G  17          2HO*        G  17 -17.559  26.023 -22.101
  181    H1*    G  17           H1*        G  17 -16.700  27.787 -20.811
  182    H8     G  17           H8         G  17 -18.596  30.966 -20.074
  183    H1     G  17           H1         G  17 -19.592  26.402 -15.713
  184   1H2     G  17          1H2         G  17 -18.818  24.458 -16.438
  185   2H2     G  17          2H2         G  17 -18.037  24.294 -17.994
  186   1H5*    G  18          1H5*        G  18 -19.830  25.517 -24.154
  187   2H5*    G  18          2H5*        G  18 -21.327  25.488 -25.125
  188    H4*    G  18           H4*        G  18 -21.263  23.543 -23.677
  189    H3*    G  18           H3*        G  18 -23.219  25.635 -22.687
  190    H2*    G  18           H2*        G  18 -23.928  24.055 -21.047
  191   2HO*    G  18          2HO*        G  18 -23.228  21.883 -21.149
  192    H1*    G  18           H1*        G  18 -21.344  23.164 -20.509
  193    H8     G  18           H8         G  18 -21.416  26.954 -20.892
  194    H1     G  18           H1         G  18 -23.291  24.929 -15.115
  195   1H2     G  18          1H2         G  18 -23.556  22.736 -15.118
  196   2H2     G  18          2H2         G  18 -23.277  21.766 -16.548
  197   1H5*    G  19          1H5*        G  19 -25.506  22.090 -22.973
  198   2H5*    G  19          2H5*        G  19 -27.187  22.478 -23.428
  199    H4*    G  19           H4*        G  19 -26.775  21.279 -21.172
  200    H3*    G  19           H3*        G  19 -28.364  23.860 -21.285
  201    H2*    G  19           H2*        G  19 -28.859  23.539 -18.972
  202   2HO*    G  19          2HO*        G  19 -28.695  21.583 -18.006
  203    H1*    G  19           H1*        G  19 -26.281  22.582 -18.376
  204    H8     G  19           H8         G  19 -25.788  25.629 -20.511
  205    H1     G  19           H1         G  19 -27.536  27.107 -14.542
  206   1H2     G  19          1H2         G  19 -28.241  25.309 -13.480
  207   2H2     G  19          2H2         G  19 -28.286  23.733 -14.238
  208   1H5*    U  20          1H5*        U  20 -33.099  23.715 -22.209
  209   2H5*    U  20          2H5*        U  20 -32.066  25.135 -21.900
  210    H4*    U  20           H4*        U  20 -33.924  25.379 -20.459
  211    H3*    U  20           H3*        U  20 -31.600  24.182 -18.935
  212    H2*    U  20           H2*        U  20 -32.920  24.121 -16.982
  213   2HO*    U  20          2HO*        U  20 -34.897  25.312 -16.865
  214    H1*    U  20           H1*        U  20 -35.350  23.605 -18.282
  215    H3     U  20           H3         U  20 -35.003  19.889 -15.753
  216    H5     U  20           H5         U  20 -31.710  19.586 -18.360
  217    H6     U  20           H6         U  20 -32.274  21.777 -19.225
  218   1H5*    G  21          1H5*        G  21 -33.056  26.976 -16.092
  219   2H5*    G  21          2H5*        G  21 -31.614  27.577 -15.236
  220    H4*    G  21           H4*        G  21 -33.346  26.193 -13.899
  221    H3*    G  21           H3*        G  21 -30.396  25.587 -13.902
  222    H2*    G  21           H2*        G  21 -30.735  23.741 -12.449
  223   2HO*    G  21          2HO*        G  21 -32.273  23.862 -10.983
  224    H1*    G  21           H1*        G  21 -33.105  22.896 -13.604
  225    H8     G  21           H8         G  21 -30.533  23.883 -16.253
  226    H1     G  21           H1         G  21 -29.901  17.893 -14.114
  227   1H2     G  21          1H2         G  21 -31.224  17.553 -12.373
  228   2H2     G  21          2H2         G  21 -32.256  18.808 -11.730
  229   1H5*    A  22          1H5*        A  22 -31.830  25.600  -9.802
  230   2H5*    A  22          2H5*        A  22 -30.609  26.355  -8.739
  231    H4*    A  22           H4*        A  22 -31.269  24.099  -7.955
  232    H3*    A  22           H3*        A  22 -28.435  24.440  -8.948
  233    H2*    A  22           H2*        A  22 -27.962  22.167  -8.387
  234   2HO*    A  22          2HO*        A  22 -29.453  20.942  -7.172
  235    H1*    A  22           H1*        A  22 -30.345  21.181  -9.337
  236    H8     A  22           H8         A  22 -28.607  23.993 -11.367
  237   1H6     A  22          1H6         A  22 -26.132  19.418 -14.692
  238   2H6     A  22          2H6         A  22 -26.305  21.153 -14.540
  239    H2     A  22           H2         A  22 -28.410  17.613 -11.290
  240   1H5*    C  23          1H5*        C  23 -24.600  23.696  -6.437
  241   2H5*    C  23          2H5*        C  23 -25.125  24.735  -7.787
  242    H4*    C  23           H4*        C  23 -25.091  21.707  -7.816
  243    H3*    C  23           H3*        C  23 -23.155  23.728  -8.945
  244    H2*    C  23           H2*        C  23 -22.816  22.337 -10.857
  245   2HO*    C  23          2HO*        C  23 -24.429  20.431  -9.456
  246    H1*    C  23           H1*        C  23 -25.432  21.857 -11.289
  247   1H4     C  23          1H4         C  23 -24.039  27.288 -14.381
  248   2H4     C  23          2H4         C  23 -24.674  28.200 -13.029
  249    H5     C  23           H5         C  23 -25.369  27.148 -10.923
  250    H6     C  23           H6         C  23 -25.588  25.049  -9.753
  251   1H5*    C  24          1H5*        C  24 -21.326  20.027  -9.531
  252   2H5*    C  24          2H5*        C  24 -19.601  20.073  -9.080
  253    H4*    C  24           H4*        C  24 -20.011  19.253 -11.405
  254    H3*    C  24           H3*        C  24 -18.480  21.847 -11.106
  255    H2*    C  24           H2*        C  24 -18.116  21.822 -13.474
  256   2HO*    C  24          2HO*        C  24 -18.788  19.995 -14.709
  257    H1*    C  24           H1*        C  24 -20.711  21.109 -14.070
  258   1H4     C  24          1H4         C  24 -20.402  27.512 -14.221
  259   2H4     C  24          2H4         C  24 -21.083  27.545 -12.613
  260    H5     C  24           H5         C  24 -21.455  25.519 -11.275
  261    H6     C  24           H6         C  24 -21.217  23.126 -11.248
  262   1H5*    G  25          1H5*        G  25 -16.026  19.300 -13.508
  263   2H5*    G  25          2H5*        G  25 -14.295  19.607 -13.191
  264    H4*    G  25           H4*        G  25 -15.138  19.937 -15.596
  265    H3*    G  25           H3*        G  25 -13.705  22.185 -14.157
  266    H2*    G  25           H2*        G  25 -13.732  23.388 -16.236
  267   2HO*    G  25          2HO*        G  25 -14.664  22.338 -18.104
  268    H1*    G  25           H1*        G  25 -16.369  22.845 -16.708
  269    H8     G  25           H8         G  25 -16.192  23.212 -12.978
  270    H1     G  25           H1         G  25 -15.735  28.834 -15.978
  271   1H2     G  25          1H2         G  25 -15.375  28.544 -18.132
  272   2H2     G  25          2H2         G  25 -15.269  26.949 -18.850
  273   1H5*    U  26          1H5*        U  26 -11.871  22.278 -17.563
  274   2H5*    U  26          2H5*        U  26 -10.100  22.422 -17.420
  275    H4*    U  26           H4*        U  26 -11.296  24.290 -18.681
  276    H3*    U  26           H3*        U  26  -9.627  24.980 -16.252
  277    H2*    U  26           H2*        U  26  -9.992  27.285 -16.761
  278   2HO*    U  26          2HO*        U  26 -11.145  26.380 -19.223
  279    H1*    U  26           H1*        U  26 -12.650  26.883 -17.559
  280    H3     U  26           H3         U  26 -12.147  29.591 -13.783
  281    H5     U  26           H5         U  26 -12.933  25.672 -12.449
  282    H6     U  26           H6         U  26 -12.579  24.894 -14.712
  283   1H5*    G  27          1H5*        G  27  -8.611  27.423 -19.585
  284   2H5*    G  27          2H5*        G  27  -6.842  27.508 -19.751
  285    H4*    G  27           H4*        G  27  -8.188  29.710 -19.773
  286    H3*    G  27           H3*        G  27  -5.586  29.148 -18.666
  287    H2*    G  27           H2*        G  27  -6.165  29.771 -16.484
  288   2HO*    G  27          2HO*        G  27  -6.141  32.091 -16.170
  289    H1*    G  27           H1*        G  27  -8.390  31.545 -17.524
  290    H8     G  27           H8         G  27  -8.082  28.513 -15.091
  291    H1     G  27           H1         G  27 -10.687  33.779 -12.539
  292   1H2     G  27          1H2         G  27 -10.679  35.433 -14.003
  293   2H2     G  27          2H2         G  27 -10.028  35.255 -15.618
  294   1H5*    G  28          1H5*        G  28  -3.473  31.368 -21.955
  295   2H5*    G  28          2H5*        G  28  -3.856  32.536 -20.664
  296    H4*    G  28           H4*        G  28  -4.457  33.398 -23.436
  297    H3*    G  28           H3*        G  28  -1.634  32.885 -22.505
  298    H2*    G  28           H2*        G  28  -0.895  34.984 -23.361
  299   2HO*    G  28          2HO*        G  28  -2.350  36.285 -24.605
  300    H1*    G  28           H1*        G  28  -2.977  36.439 -22.414
  301    H8     G  28           H8         G  28  -2.451  33.750 -19.798
  302    H1     G  28           H1         G  28   1.885  38.445 -19.460
  303   1H2     G  28          1H2         G  28   1.773  39.742 -21.243
  304   2H2     G  28          2H2         G  28   0.621  39.458 -22.530
  305   1H5*    U  29          1H5*        U  29  -0.822  34.426 -26.121
  306   2H5*    U  29          2H5*        U  29   0.053  33.235 -27.120
  307    H4*    U  29           H4*        U  29   1.292  35.295 -27.155
  308    H3*    U  29           H3*        U  29   2.557  33.258 -25.306
  309    H2*    U  29           H2*        U  29   4.367  34.770 -24.975
  310   2HO*    U  29          2HO*        U  29   4.425  36.747 -26.212
  311    H1*    U  29           H1*        U  29   2.756  36.988 -24.715
  312    H3     U  29           H3         U  29   4.354  36.185 -20.536
  313    H5     U  29           H5         U  29   1.297  33.335 -21.051
  314    H6     U  29           H6         U  29   1.126  34.031 -23.359
  315   1H5*    C  30          1H5*        C  30   5.640  34.600 -28.176
  316   2H5*    C  30          2H5*        C  30   6.841  33.293 -28.367
  317    H4*    C  30           H4*        C  30   7.723  35.539 -27.540
  318    H3*    C  30           H3*        C  30   8.142  33.086 -25.813
  319    H2*    C  30           H2*        C  30   9.551  34.450 -24.427
  320   2HO*    C  30          2HO*        C  30  10.034  36.614 -25.088
  321    H1*    C  30           H1*        C  30   7.792  36.611 -24.496
  322   1H4     C  30          1H4         C  30   6.341  33.364 -19.184
  323   2H4     C  30          2H4         C  30   5.314  32.294 -20.105
  324    H5     C  30           H5         C  30   5.156  32.377 -22.547
  325    H6     C  30           H6         C  30   5.943  33.504 -24.526
  326   1H5*    C  31          1H5*        C  31  12.021  34.556 -26.402
  327   2H5*    C  31          2H5*        C  31  13.211  33.227 -26.366
  328    H4*    C  31           H4*        C  31  13.345  35.062 -24.543
  329    H3*    C  31           H3*        C  31  13.207  32.137 -23.769
  330    H2*    C  31           H2*        C  31  13.656  32.853 -21.523
  331   2HO*    C  31          2HO*        C  31  14.190  35.070 -21.126
  332    H1*    C  31           H1*        C  31  11.950  35.080 -21.750
  333   1H4     C  31          1H4         C  31   8.714  30.437 -18.735
  334   2H4     C  31          2H4         C  31   8.059  29.925 -20.273
  335    H5     C  31           H5         C  31   8.794  30.865 -22.424
  336    H6     C  31           H6         C  31  10.281  32.462 -23.464
  337   1H5*    U  32          1H5*        U  32  16.518  33.180 -21.662
  338   2H5*    U  32          2H5*        U  32  17.856  32.110 -22.161
  339    H4*    U  32           H4*        U  32  17.675  32.101 -19.745
  340    H3*    U  32           H3*        U  32  16.557  29.551 -20.940
  341    H2*    U  32           H2*        U  32  16.413  28.720 -18.699
  342   2HO*    U  32          2HO*        U  32  17.358  29.896 -16.977
  343    H1*    U  32           H1*        U  32  15.499  31.170 -17.690
  344    H3     U  32           H3         U  32  12.197  27.993 -17.307
  345    H5     U  32           H5         U  32  11.833  29.537 -21.207
  346    H6     U  32           H6         U  32  13.917  30.717 -20.864
  347   1H5*    C  33          1H5*        C  33  20.001  28.785 -18.215
  348   2H5*    C  33          2H5*        C  33  20.697  27.172 -18.528
  349    H4*    C  33           H4*        C  33  19.780  27.780 -16.142
  350    H3*    C  33           H3*        C  33  19.038  25.198 -17.538
  351    H2*    C  33           H2*        C  33  17.939  24.566 -15.517
  352   2HO*    C  33          2HO*        C  33  18.310  25.760 -13.582
  353    H1*    C  33           H1*        C  33  17.100  27.213 -14.952
  354   1H4     C  33          1H4         C  33  12.066  23.738 -16.829
  355   2H4     C  33          2H4         C  33  12.329  24.277 -18.468
  356    H5     C  33           H5         C  33  14.258  25.571 -19.141
  357    H6     C  33           H6         C  33  16.326  26.623 -18.370
  358   1H5*    C  34          1H5*        C  34  20.415  24.059 -13.709
  359   2H5*    C  34          2H5*        C  34  21.370  22.560 -13.856
  360    H4*    C  34           H4*        C  34  19.348  22.502 -12.279
  361    H3*    C  34           H3*        C  34  19.501  20.506 -14.551
  362    H2*    C  34           H2*        C  34  17.586  19.446 -13.599
  363   2HO*    C  34          2HO*        C  34  16.878  19.999 -11.498
  364    H1*    C  34           H1*        C  34  16.394  21.892 -12.852
  365   1H4     C  34          1H4         C  34  13.453  19.752 -18.119
  366   2H4     C  34          2H4         C  34  14.570  20.673 -19.103
  367    H5     C  34           H5         C  34  16.513  21.860 -18.159
  368    H6     C  34           H6         C  34  17.688  22.382 -16.123
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   4.068  15.450 -17.180
    2   2H5*    G   1          2H5*        G   1   5.327  15.858 -18.344
    3    H4*    G   1           H4*        G   1   5.701  14.103 -15.907
    4    H3*    G   1           H3*        G   1   6.426  17.000 -16.395
    5    H2*    G   1           H2*        G   1   8.399  16.692 -15.063
    6   2HO*    G   1          2HO*        G   1   8.699  14.834 -13.848
    7    H1*    G   1           H1*        G   1   9.089  14.328 -16.235
    8    H8     G   1           H8         G   1   7.663  16.106 -19.157
    9    H1     G   1           H1         G   1  13.268  18.637 -17.396
   10   1H2     G   1          1H2         G   1  13.866  17.892 -15.403
   11   2H2     G   1          2H2         G   1  12.877  16.769 -14.493
   12   1H5*    G   2          1H5*        G   2   7.103  16.591 -12.265
   13   2H5*    G   2          2H5*        G   2   5.967  17.693 -11.440
   14    H4*    G   2           H4*        G   2   8.098  18.003 -10.414
   15    H3*    G   2           H3*        G   2   7.572  20.216 -12.418
   16    H2*    G   2           H2*        G   2   9.595  21.267 -11.640
   17   2HO*    G   2          2HO*        G   2  10.799  20.233  -9.956
   18    H1*    G   2           H1*        G   2  11.054  19.020 -11.918
   19    H8     G   2           H8         G   2   8.312  18.801 -14.543
   20    H1     G   2           H1         G   2  13.128  22.676 -16.178
   21   1H2     G   2          1H2         G   2  14.452  23.027 -14.439
   22   2H2     G   2          2H2         G   2  14.151  22.298 -12.880
   23   1H5*    A   3          1H5*        A   3   7.879  22.677  -8.429
   24   2H5*    A   3          2H5*        A   3   7.244  24.256  -8.970
   25    H4*    A   3           H4*        A   3   9.746  23.991  -8.171
   26    H3*    A   3           H3*        A   3   8.951  25.569 -10.650
   27    H2*    A   3           H2*        A   3  11.337  26.224 -10.758
   28   2HO*    A   3          2HO*        A   3  12.731  25.409  -9.161
   29    H1*    A   3           H1*        A   3  12.142  23.699 -10.678
   30    H8     A   3           H8         A   3   8.932  22.863 -12.237
   31   1H6     A   3          1H6         A   3  10.806  25.453 -17.514
   32   2H6     A   3          2H6         A   3   9.613  24.420 -16.761
   33    H2     A   3           H2         A   3  13.635  26.712 -14.281
   34   1H5*    G   4          1H5*        G   4  11.198  28.377  -8.435
   35   2H5*    G   4          2H5*        G   4  10.472  30.005  -8.542
   36    H4*    G   4           H4*        G   4  12.894  29.734  -9.351
   37    H3*    G   4           H3*        G   4  10.765  30.914 -11.150
   38    H2*    G   4           H2*        G   4  12.473  31.348 -12.787
   39   2HO*    G   4          2HO*        G   4  14.672  30.787 -12.261
   40    H1*    G   4           H1*        G   4  13.510  28.837 -12.621
   41    H8     G   4           H8         G   4  10.142  27.690 -12.085
   42    H1     G   4           H1         G   4  10.557  30.450 -17.836
   43   1H2     G   4          1H2         G   4  12.399  31.666 -17.983
   44   2H2     G   4          2H2         G   4  13.536  31.787 -16.658
   45   1H5*    G   5          1H5*        G   5  13.760  33.705 -11.685
   46   2H5*    G   5          2H5*        G   5  13.170  35.235 -10.985
   47    H4*    G   5           H4*        G   5  14.215  35.625 -13.164
   48    H3*    G   5           H3*        G   5  11.198  35.905 -13.240
   49    H2*    G   5           H2*        G   5  11.462  36.769 -15.460
   50   2HO*    G   5          2HO*        G   5  13.615  37.101 -16.279
   51    H1*    G   5           H1*        G   5  13.338  34.837 -16.149
   52    H8     G   5           H8         G   5  10.866  32.873 -14.188
   53    H1     G   5           H1         G   5   8.477  34.622 -19.851
   54   1H2     G   5          1H2         G   5   9.760  36.145 -20.806
   55   2H2     G   5          2H2         G   5  11.210  36.757 -20.037
   56   1H5*    A   6          1H5*        A   6  12.325  39.491 -14.961
   57   2H5*    A   6          2H5*        A   6  11.651  40.788 -13.939
   58    H4*    A   6           H4*        A   6  11.081  41.336 -16.185
   59    H3*    A   6           H3*        A   6   8.696  39.985 -14.890
   60    H2*    A   6           H2*        A   6   7.461  40.589 -16.860
   61   2HO*    A   6          2HO*        A   6   8.444  41.895 -18.459
   62    H1*    A   6           H1*        A   6   9.475  39.784 -18.551
   63    H8     A   6           H8         A   6   9.345  37.358 -15.627
   64   1H6     A   6          1H6         A   6   4.707  34.541 -18.628
   65   2H6     A   6          2H6         A   6   5.822  34.437 -17.282
   66    H2     A   6           H2         A   6   5.627  38.398 -20.729
   67   1H5*    C   7          1H5*        C   7   7.531  43.770 -16.627
   68   2H5*    C   7          2H5*        C   7   6.260  44.509 -15.624
   69    H4*    C   7           H4*        C   7   5.743  44.241 -18.102
   70    H3*    C   7           H3*        C   7   3.884  43.033 -16.029
   71    H2*    C   7           H2*        C   7   2.472  42.288 -17.754
   72   2HO*    C   7          2HO*        C   7   2.639  43.128 -19.865
   73    H1*    C   7           H1*        C   7   4.505  41.749 -19.597
   74   1H4     C   7          1H4         C   7   2.462  36.168 -17.197
   75   2H4     C   7          2H4         C   7   3.647  36.291 -15.917
   76    H5     C   7           H5         C   7   5.043  38.276 -15.586
   77    H6     C   7           H6         C   7   5.556  40.482 -16.423
   78   1H5*    A   8          1H5*        A   8   1.367  45.457 -18.856
   79   2H5*    A   8          2H5*        A   8   0.013  46.058 -17.860
   80    H4*    A   8           H4*        A   8  -0.552  44.642 -19.939
   81    H3*    A   8           H3*        A   8  -1.637  43.904 -17.222
   82    H2*    A   8           H2*        A   8  -2.907  42.188 -18.290
   83   2HO*    A   8          2HO*        A   8  -3.036  42.089 -20.569
   84    H1*    A   8           H1*        A   8  -0.873  41.455 -20.014
   85    H8     A   8           H8         A   8   0.676  42.094 -16.698
   86   1H6     A   8          1H6         A   8  -1.123  36.398 -15.036
   87   2H6     A   8          2H6         A   8  -0.128  37.766 -14.596
   88    H2     A   8           H2         A   8  -3.155  37.480 -18.891
   89   1H5*    U   9          1H5*        U   9  -4.650  44.177 -20.432
   90   2H5*    U   9          2H5*        U   9  -6.287  44.414 -19.769
   91    H4*    U   9           H4*        U   9  -5.442  42.184 -21.144
   92    H3*    U   9           H3*        U   9  -7.747  42.818 -19.440
   93    H2*    U   9           H2*        U   9  -7.549  40.908 -18.122
   94   2HO*    U   9          2HO*        U   9  -7.800  39.536 -20.584
   95    H1*    U   9           H1*        U   9  -5.563  39.661 -20.001
   96    H3     U   9           H3         U   9  -5.592  36.788 -16.307
   97    H5     U   9           H5         U   9  -3.244  40.148 -15.343
   98    H6     U   9           H6         U   9  -4.089  41.218 -17.316
   99   1H5*    C  10          1H5*        C  10  -9.435  41.440 -18.939
  100   2H5*    C  10          2H5*        C  10 -11.136  41.827 -19.251
  101    H4*    C  10           H4*        C  10 -11.166  43.560 -17.734
  102    H3*    C  10           H3*        C  10  -8.748  44.500 -18.604
  103    H2*    C  10           H2*        C  10  -7.541  42.672 -17.544
  104   2HO*    C  10          2HO*        C  10  -6.851  44.896 -16.776
  105    H1*    C  10           H1*        C  10  -9.185  43.254 -15.106
  106   1H4     C  10          1H4         C  10  -5.928  38.334 -12.735
  107   2H4     C  10          2H4         C  10  -6.539  37.288 -13.994
  108    H5     C  10           H5         C  10  -7.908  38.111 -15.852
  109    H6     C  10           H6         C  10  -8.949  40.061 -16.811
  110   1H5*    C  11          1H5*        C  11  -8.776  48.097 -14.160
  111   2H5*    C  11          2H5*        C  11  -8.166  46.953 -12.935
  112    H4*    C  11           H4*        C  11 -10.733  47.616 -12.946
  113    H3*    C  11           H3*        C  11  -9.838  44.723 -12.660
  114    H2*    C  11           H2*        C  11 -12.104  44.188 -12.656
  115   2HO*    C  11          2HO*        C  11 -12.489  46.706 -11.429
  116    H1*    C  11           H1*        C  11 -12.942  46.718 -13.945
  117   1H4     C  11          1H4         C  11 -13.614  41.334 -17.833
  118   2H4     C  11          2H4         C  11 -14.866  42.440 -18.343
  119    H5     C  11           H5         C  11 -15.148  44.654 -17.353
  120    H6     C  11           H6         C  11 -14.309  46.191 -15.706
  121   1H5*    C  12          1H5*        C  12 -11.943  43.447 -10.592
  122   2H5*    C  12          2H5*        C  12 -13.241  44.344  -9.750
  123    H4*    C  12           H4*        C  12 -13.460  42.449  -8.558
  124    H3*    C  12           H3*        C  12 -11.856  44.065  -6.987
  125    H2*    C  12           H2*        C  12  -9.904  43.120  -8.014
  126   2HO*    C  12          2HO*        C  12  -9.220  41.456  -6.234
  127    H1*    C  12           H1*        C  12 -11.300  40.482  -7.451
  128   1H4     C  12          1H4         C  12  -5.688  38.198  -9.730
  129   2H4     C  12          2H4         C  12  -6.315  38.484 -11.337
  130    H5     C  12           H5         C  12  -8.422  39.666 -11.750
  131    H6     C  12           H6         C  12 -10.287  40.786 -10.708
  132   1H5*    U  13          1H5*        U  13 -16.211  40.367  -6.417
  133   2H5*    U  13          2H5*        U  13 -14.945  40.278  -5.159
  134    H4*    U  13           H4*        U  13 -13.791  41.041  -7.636
  135    H3*    U  13           H3*        U  13 -15.876  39.114  -8.093
  136    H2*    U  13           H2*        U  13 -14.583  37.265  -7.612
  137   2HO*    U  13          2HO*        U  13 -13.158  38.128  -9.898
  138    H1*    U  13           H1*        U  13 -11.998  38.791  -8.017
  139    H3     U  13           H3         U  13  -9.848  36.753  -4.357
  140    H5     U  13           H5         U  13 -12.715  34.089  -5.910
  141    H6     U  13           H6         U  13 -13.581  35.898  -7.210
  142   1H5*    C  14          1H5*        C  14 -13.618  41.374 -11.345
  143   2H5*    C  14          2H5*        C  14 -14.688  41.936 -12.659
  144    H4*    C  14           H4*        C  14 -12.674  41.556 -13.759
  145    H3*    C  14           H3*        C  14 -14.132  38.907 -13.909
  146    H2*    C  14           H2*        C  14 -12.375  38.207 -15.393
  147   2HO*    C  14          2HO*        C  14 -11.613  40.962 -15.262
  148    H1*    C  14           H1*        C  14 -10.411  39.240 -13.735
  149   1H4     C  14          1H4         C  14 -11.151  33.144 -11.984
  150   2H4     C  14          2H4         C  14 -12.557  33.549 -11.032
  151    H5     C  14           H5         C  14 -13.537  35.824 -10.981
  152    H6     C  14           H6         C  14 -13.317  38.063 -11.833
  153   1H5*    A  15          1H5*        A  15 -13.672  39.865 -18.167
  154   2H5*    A  15          2H5*        A  15 -15.043  39.104 -19.015
  155    H4*    A  15           H4*        A  15 -12.629  38.359 -19.608
  156    H3*    A  15           H3*        A  15 -14.745  36.329 -18.857
  157    H2*    A  15           H2*        A  15 -13.165  34.627 -19.471
  158   2HO*    A  15          2HO*        A  15 -11.237  35.186 -20.552
  159    H1*    A  15           H1*        A  15 -11.017  36.014 -18.293
  160    H8     A  15           H8         A  15 -13.646  36.396 -15.767
  161   1H6     A  15          1H6         A  15 -12.847  30.479 -14.145
  162   2H6     A  15          2H6         A  15 -13.585  32.001 -13.704
  163    H2     A  15           H2         A  15 -10.693  31.194 -18.014
  164   1H5*    C  16          1H5*        C  16 -13.633  35.187 -22.813
  165   2H5*    C  16          2H5*        C  16 -15.095  34.842 -23.778
  166    H4*    C  16           H4*        C  16 -13.449  32.987 -23.826
  167    H3*    C  16           H3*        C  16 -16.067  32.406 -22.425
  168    H2*    C  16           H2*        C  16 -15.364  30.131 -22.213
  169   2HO*    C  16          2HO*        C  16 -13.446  29.425 -23.265
  170    H1*    C  16           H1*        C  16 -12.765  30.808 -21.506
  171   1H4     C  16          1H4         C  16 -15.565  30.085 -15.853
  172   2H4     C  16          2H4         C  16 -16.622  31.452 -16.134
  173    H5     C  16           H5         C  16 -16.631  32.712 -18.233
  174    H6     C  16           H6         C  16 -15.631  32.895 -20.423
  175   1H5*    G  17          1H5*        G  17 -15.869  29.420 -25.494
  176   2H5*    G  17          2H5*        G  17 -17.509  29.061 -26.094
  177    H4*    G  17           H4*        G  17 -16.278  27.079 -25.171
  178    H3*    G  17           H3*        G  17 -18.804  27.924 -23.730
  179    H2*    G  17           H2*        G  17 -18.602  25.922 -22.422
  180   2HO*    G  17          2HO*        G  17 -16.963  24.385 -22.955
  181    H1*    G  17           H1*        G  17 -15.872  26.234 -22.065
  182    H8     G  17           H8         G  17 -17.454  29.667 -21.827
  183    H1     G  17           H1         G  17 -18.243  26.168 -16.544
  184   1H2     G  17          1H2         G  17 -17.674  24.061 -16.912
  185   2H2     G  17          2H2         G  17 -17.078  23.522 -18.465
  186   1H5*    G  18          1H5*        G  18 -19.406  23.820 -24.663
  187   2H5*    G  18          2H5*        G  18 -20.999  23.667 -25.451
  188    H4*    G  18           H4*        G  18 -20.836  22.022 -23.689
  189    H3*    G  18           H3*        G  18 -22.575  24.358 -22.858
  190    H2*    G  18           H2*        G  18 -23.142  23.091 -20.907
  191   2HO*    G  18          2HO*        G  18 -22.322  20.917 -20.711
  192    H1*    G  18           H1*        G  18 -20.535  22.294 -20.461
  193    H8     G  18           H8         G  18 -20.748  25.906 -21.737
  194    H1     G  18           H1         G  18 -21.663  25.324 -15.431
  195   1H2     G  18          1H2         G  18 -21.850  23.196 -14.868
  196   2H2     G  18          2H2         G  18 -21.737  21.907 -16.048
  197   1H5*    G  19          1H5*        G  19 -24.862  21.037 -22.118
  198   2H5*    G  19          2H5*        G  19 -26.575  21.298 -22.542
  199    H4*    G  19           H4*        G  19 -26.153  20.612 -20.147
  200    H3*    G  19           H3*        G  19 -27.432  23.318 -20.615
  201    H2*    G  19           H2*        G  19 -27.799  23.411 -18.244
  202   2HO*    G  19          2HO*        G  19 -27.458  21.595 -16.947
  203    H1*    G  19           H1*        G  19 -25.256  22.402 -17.666
  204    H8     G  19           H8         G  19 -24.780  24.860 -20.479
  205    H1     G  19           H1         G  19 -25.783  27.733 -14.851
  206   1H2     G  19          1H2         G  19 -26.484  26.272 -13.358
  207   2H2     G  19          2H2         G  19 -26.703  24.578 -13.739
  208   1H5*    U  20          1H5*        U  20 -31.676  24.283 -20.678
  209   2H5*    U  20          2H5*        U  20 -30.623  25.139 -19.519
  210    H4*    U  20           H4*        U  20 -32.917  25.067 -18.705
  211    H3*    U  20           H3*        U  20 -30.997  23.289 -17.200
  212    H2*    U  20           H2*        U  20 -32.732  22.606 -15.745
  213   2HO*    U  20          2HO*        U  20 -33.995  25.005 -16.626
  214    H1*    U  20           H1*        U  20 -34.786  22.846 -17.703
  215    H3     U  20           H3         U  20 -34.698  18.586 -15.867
  216    H5     U  20           H5         U  20 -31.904  18.574 -19.019
  217    H6     U  20           H6         U  20 -32.172  20.976 -19.176
  218   1H5*    G  21          1H5*        G  21 -30.430  28.553 -14.633
  219   2H5*    G  21          2H5*        G  21 -29.894  27.103 -15.524
  220    H4*    G  21           H4*        G  21 -31.698  27.105 -13.078
  221    H3*    G  21           H3*        G  21 -28.760  26.479 -13.384
  222    H2*    G  21           H2*        G  21 -28.965  24.794 -11.718
  223   2HO*    G  21          2HO*        G  21 -30.792  24.684 -10.380
  224    H1*    G  21           H1*        G  21 -31.509  23.962 -12.546
  225    H8     G  21           H8         G  21 -29.200  24.425 -15.519
  226    H1     G  21           H1         G  21 -28.516  18.778 -12.607
  227   1H2     G  21          1H2         G  21 -29.638  18.753 -10.702
  228   2H2     G  21          2H2         G  21 -30.551  20.134 -10.140
  229   1H5*    A  22          1H5*        A  22 -29.610  27.019  -9.299
  230   2H5*    A  22          2H5*        A  22 -28.297  27.790  -8.364
  231    H4*    A  22           H4*        A  22 -28.946  25.585  -7.431
  232    H3*    A  22           H3*        A  22 -26.199  25.793  -8.664
  233    H2*    A  22           H2*        A  22 -25.742  23.547  -7.997
  234   2HO*    A  22          2HO*        A  22 -26.683  23.634  -5.895
  235    H1*    A  22           H1*        A  22 -28.275  22.609  -8.656
  236    H8     A  22           H8         A  22 -26.575  25.105 -11.076
  237   1H6     A  22          1H6         A  22 -24.572  20.096 -14.089
  238   2H6     A  22          2H6         A  22 -24.651  21.843 -14.103
  239    H2     A  22           H2         A  22 -26.668  18.764 -10.364
  240   1H5*    C  23          1H5*        C  23 -22.344  26.192  -6.458
  241   2H5*    C  23          2H5*        C  23 -22.290  26.960  -8.068
  242    H4*    C  23           H4*        C  23 -22.806  24.077  -7.356
  243    H3*    C  23           H3*        C  23 -20.848  25.518  -9.135
  244    H2*    C  23           H2*        C  23 -20.829  23.699 -10.671
  245   2HO*    C  23          2HO*        C  23 -21.869  21.738 -10.166
  246    H1*    C  23           H1*        C  23 -23.492  23.338 -10.740
  247   1H4     C  23          1H4         C  23 -22.196  27.757 -15.184
  248   2H4     C  23          2H4         C  23 -22.594  29.012 -14.034
  249    H5     C  23           H5         C  23 -23.067  28.550 -11.673
  250    H6     C  23           H6         C  23 -23.264  26.811 -10.010
  251   1H5*    C  24          1H5*        C  24 -19.399  21.615  -8.844
  252   2H5*    C  24          2H5*        C  24 -17.621  21.553  -8.708
  253    H4*    C  24           H4*        C  24 -18.535  20.277 -10.659
  254    H3*    C  24           H3*        C  24 -16.762  22.652 -11.280
  255    H2*    C  24           H2*        C  24 -16.847  22.000 -13.589
  256   2HO*    C  24          2HO*        C  24 -17.956  20.044 -14.161
  257    H1*    C  24           H1*        C  24 -19.561  21.563 -13.559
  258   1H4     C  24          1H4         C  24 -18.713  27.663 -15.308
  259   2H4     C  24          2H4         C  24 -18.926  28.150 -13.644
  260    H5     C  24           H5         C  24 -19.121  26.551 -11.803
  261    H6     C  24           H6         C  24 -19.139  24.211 -11.232
  262   1H5*    G  25          1H5*        G  25 -14.813  19.579 -13.511
  263   2H5*    G  25          2H5*        G  25 -13.082  19.661 -13.085
  264    H4*    G  25           H4*        G  25 -13.469  19.732 -15.534
  265    H3*    G  25           H3*        G  25 -12.366  22.273 -14.311
  266    H2*    G  25           H2*        G  25 -12.104  23.116 -16.542
  267   2HO*    G  25          2HO*        G  25 -12.555  21.752 -18.332
  268    H1*    G  25           H1*        G  25 -14.599  22.300 -17.331
  269    H8     G  25           H8         G  25 -14.828  23.363 -13.701
  270    H1     G  25           H1         G  25 -14.801  28.297 -17.766
  271   1H2     G  25          1H2         G  25 -14.259  27.622 -19.795
  272   2H2     G  25          2H2         G  25 -13.920  25.944 -20.162
  273   1H5*    U  26          1H5*        U  26  -9.923  21.648 -17.451
  274   2H5*    U  26          2H5*        U  26  -8.211  21.949 -17.049
  275    H4*    U  26           H4*        U  26  -9.101  23.336 -18.948
  276    H3*    U  26           H3*        U  26  -8.197  24.825 -16.471
  277    H2*    U  26           H2*        U  26  -8.488  26.848 -17.717
  278   2HO*    U  26          2HO*        U  26  -8.871  26.783 -19.955
  279    H1*    U  26           H1*        U  26 -10.854  25.975 -18.908
  280    H3     U  26           H3         U  26 -11.873  29.463 -16.127
  281    H5     U  26           H5         U  26 -11.721  26.075 -13.633
  282    H6     U  26           H6         U  26 -10.824  24.817 -15.501
  283   1H5*    G  27          1H5*        G  27  -6.413  26.586 -19.698
  284   2H5*    G  27          2H5*        G  27  -4.688  26.930 -19.422
  285    H4*    G  27           H4*        G  27  -6.320  28.838 -20.161
  286    H3*    G  27           H3*        G  27  -3.976  28.887 -18.400
  287    H2*    G  27           H2*        G  27  -5.069  29.949 -16.654
  288   2HO*    G  27          2HO*        G  27  -5.437  32.216 -16.963
  289    H1*    G  27           H1*        G  27  -7.266  30.925 -18.500
  290    H8     G  27           H8         G  27  -7.610  28.347 -15.697
  291    H1     G  27           H1         G  27  -9.829  34.138 -14.138
  292   1H2     G  27          1H2         G  27  -9.283  35.619 -15.681
  293   2H2     G  27          2H2         G  27  -8.382  35.181 -17.118
  294   1H5*    G  28          1H5*        G  28  -5.224  31.866 -21.976
  295   2H5*    G  28          2H5*        G  28  -4.894  30.953 -23.474
  296    H4*    G  28           H4*        G  28  -4.625  33.102 -24.245
  297    H3*    G  28           H3*        G  28  -1.917  32.332 -23.140
  298    H2*    G  28           H2*        G  28  -1.069  34.492 -23.716
  299   2HO*    G  28          2HO*        G  28  -2.358  35.944 -24.929
  300    H1*    G  28           H1*        G  28  -3.234  35.865 -22.751
  301    H8     G  28           H8         G  28  -2.863  32.995 -20.366
  302    H1     G  28           H1         G  28   1.538  37.526 -19.416
  303   1H2     G  28          1H2         G  28   1.540  38.971 -21.082
  304   2H2     G  28          2H2         G  28   0.458  38.819 -22.451
  305   1H5*    U  29          1H5*        U  29  -0.739  34.223 -26.519
  306   2H5*    U  29          2H5*        U  29   0.138  33.065 -27.554
  307    H4*    U  29           H4*        U  29   1.472  35.058 -27.356
  308    H3*    U  29           H3*        U  29   2.532  32.851 -25.573
  309    H2*    U  29           H2*        U  29   4.395  34.255 -25.094
  310   2HO*    U  29          2HO*        U  29   3.359  35.956 -27.154
  311    H1*    U  29           H1*        U  29   2.850  36.548 -24.841
  312    H3     U  29           H3         U  29   4.306  35.659 -20.631
  313    H5     U  29           H5         U  29   1.246  32.841 -21.281
  314    H6     U  29           H6         U  29   1.146  33.577 -23.586
  315   1H5*    C  30          1H5*        C  30   5.993  33.687 -28.663
  316   2H5*    C  30          2H5*        C  30   7.019  32.239 -28.465
  317    H4*    C  30           H4*        C  30   8.018  34.594 -27.959
  318    H3*    C  30           H3*        C  30   8.260  32.306 -25.987
  319    H2*    C  30           H2*        C  30   9.712  33.726 -24.703
  320   2HO*    C  30          2HO*        C  30  10.321  35.784 -25.547
  321    H1*    C  30           H1*        C  30   8.059  35.938 -24.994
  322   1H4     C  30          1H4         C  30   6.366  33.090 -19.514
  323   2H4     C  30          2H4         C  30   5.243  32.074 -20.386
  324    H5     C  30           H5         C  30   5.084  32.064 -22.828
  325    H6     C  30           H6         C  30   5.973  33.014 -24.856
  326   1H5*    C  31          1H5*        C  31  12.287  33.430 -26.509
  327   2H5*    C  31          2H5*        C  31  13.336  32.012 -26.234
  328    H4*    C  31           H4*        C  31  13.410  34.076 -24.595
  329    H3*    C  31           H3*        C  31  13.239  31.217 -23.608
  330    H2*    C  31           H2*        C  31  13.536  32.100 -21.402
  331   2HO*    C  31          2HO*        C  31  14.086  34.332 -21.130
  332    H1*    C  31           H1*        C  31  11.907  34.358 -21.937
  333   1H4     C  31          1H4         C  31   8.552  29.898 -18.659
  334   2H4     C  31          2H4         C  31   7.686  29.585 -20.145
  335    H5     C  31           H5         C  31   8.330  30.562 -22.299
  336    H6     C  31           H6         C  31   9.907  32.012 -23.406
  337   1H5*    U  32          1H5*        U  32  16.356  32.634 -21.438
  338   2H5*    U  32          2H5*        U  32  17.805  31.661 -21.802
  339    H4*    U  32           H4*        U  32  17.506  31.950 -19.383
  340    H3*    U  32           H3*        U  32  16.953  29.135 -20.351
  341    H2*    U  32           H2*        U  32  16.799  28.490 -18.054
  342   2HO*    U  32          2HO*        U  32  17.775  31.126 -17.482
  343    H1*    U  32           H1*        U  32  15.404  30.804 -17.326
  344    H3     U  32           H3         U  32  12.953  26.841 -16.979
  345    H5     U  32           H5         U  32  11.989  28.595 -20.677
  346    H6     U  32           H6         U  32  13.843  30.134 -20.360
  347   1H5*    C  33          1H5*        C  33  19.371  28.436 -17.245
  348   2H5*    C  33          2H5*        C  33  20.848  27.620 -17.820
  349    H4*    C  33           H4*        C  33  20.056  26.409 -15.914
  350    H3*    C  33           H3*        C  33  19.241  24.977 -18.453
  351    H2*    C  33           H2*        C  33  18.430  23.209 -17.090
  352   2HO*    C  33          2HO*        C  33  19.780  24.529 -14.932
  353    H1*    C  33           H1*        C  33  17.495  24.917 -15.079
  354   1H4     C  33          1H4         C  33  12.096  23.727 -18.246
  355   2H4     C  33          2H4         C  33  12.938  23.662 -19.776
  356    H5     C  33           H5         C  33  15.354  24.065 -19.993
  357    H6     C  33           H6         C  33  17.360  24.610 -18.781
  358   1H5*    C  34          1H5*        C  34  21.504  22.449 -15.673
  359   2H5*    C  34          2H5*        C  34  22.278  21.082 -16.517
  360    H4*    C  34           H4*        C  34  20.580  20.628 -14.573
  361    H3*    C  34           H3*        C  34  20.429  19.205 -17.239
  362    H2*    C  34           H2*        C  34  18.670  17.877 -16.360
  363   2HO*    C  34          2HO*        C  34  19.541  17.384 -14.318
  364    H1*    C  34           H1*        C  34  17.555  20.003 -14.856
  365   1H4     C  34          1H4         C  34  13.810  19.298 -19.979
  366   2H4     C  34          2H4         C  34  14.922  20.245 -20.941
  367    H5     C  34           H5         C  34  17.091  21.031 -20.083
  368    H6     C  34           H6         C  34  18.542  21.069 -18.166
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   3.356  16.690 -14.585
    2   2H5*    G   1          2H5*        G   1   4.419  16.833 -15.985
    3    H4*    G   1           H4*        G   1   5.094  15.382 -13.417
    4    H3*    G   1           H3*        G   1   5.916  18.113 -14.428
    5    H2*    G   1           H2*        G   1   8.050  17.810 -13.376
    6   2HO*    G   1          2HO*        G   1   6.920  15.410 -12.287
    7    H1*    G   1           H1*        G   1   8.365  15.247 -14.277
    8    H8     G   1           H8         G   1   6.774  16.547 -17.288
    9    H1     G   1           H1         G   1  12.493  19.280 -16.448
   10   1H2     G   1          1H2         G   1  13.240  18.907 -14.402
   11   2H2     G   1          2H2         G   1  12.322  17.987 -13.229
   12   1H5*    G   2          1H5*        G   2   7.232  18.007 -10.517
   13   2H5*    G   2          2H5*        G   2   6.794  19.497  -9.638
   14    H4*    G   2           H4*        G   2   9.240  18.906  -9.562
   15    H3*    G   2           H3*        G   2   8.417  21.527 -10.831
   16    H2*    G   2           H2*        G   2  10.716  22.073 -11.109
   17   2HO*    G   2          2HO*        G   2  12.340  20.820 -10.128
   18    H1*    G   2           H1*        G   2  11.461  19.560 -11.945
   19    H8     G   2           H8         G   2   8.130  20.198 -13.595
   20    H1     G   2           H1         G   2  12.888  23.473 -16.330
   21   1H2     G   2          1H2         G   2  14.701  23.418 -15.070
   22   2H2     G   2          2H2         G   2  14.751  22.552 -13.549
   23   1H5*    A   3          1H5*        A   3  11.400  22.856  -8.320
   24   2H5*    A   3          2H5*        A   3  10.949  24.437  -7.625
   25    H4*    A   3           H4*        A   3  13.034  24.346  -9.140
   26    H3*    A   3           H3*        A   3  10.774  26.258  -9.758
   27    H2*    A   3           H2*        A   3  12.055  27.138 -11.504
   28   2HO*    A   3          2HO*        A   3  14.327  26.719 -11.654
   29    H1*    A   3           H1*        A   3  13.286  24.628 -12.135
   30    H8     A   3           H8         A   3   9.569  24.200 -12.100
   31   1H6     A   3          1H6         A   3   9.589  26.619 -17.825
   32   2H6     A   3          2H6         A   3   8.620  25.779 -16.630
   33    H2     A   3           H2         A   3  13.631  27.245 -15.996
   34   1H5*    G   4          1H5*        G   4  14.482  28.789  -9.381
   35   2H5*    G   4          2H5*        G   4  13.883  30.326  -8.705
   36    H4*    G   4           H4*        G   4  15.212  30.581 -10.812
   37    H3*    G   4           H3*        G   4  12.296  31.376 -11.029
   38    H2*    G   4           H2*        G   4  12.885  32.314 -13.159
   39   2HO*    G   4          2HO*        G   4  15.109  32.409 -13.777
   40    H1*    G   4           H1*        G   4  14.575  30.152 -13.783
   41    H8     G   4           H8         G   4  11.399  28.733 -12.363
   42    H1     G   4           H1         G   4  10.715  30.823 -18.372
   43   1H2     G   4          1H2         G   4  12.476  32.027 -18.968
   44   2H2     G   4          2H2         G   4  13.820  32.303 -17.883
   45   1H5*    G   5          1H5*        G   5  14.931  34.825 -11.939
   46   2H5*    G   5          2H5*        G   5  14.029  36.329 -11.607
   47    H4*    G   5           H4*        G   5  15.022  35.962 -13.980
   48    H3*    G   5           H3*        G   5  12.089  36.647 -13.648
   49    H2*    G   5           H2*        G   5  12.040  36.914 -16.026
   50   2HO*    G   5          2HO*        G   5  14.009  36.920 -17.219
   51    H1*    G   5           H1*        G   5  13.786  34.727 -16.443
   52    H8     G   5           H8         G   5  11.274  33.290 -14.134
   53    H1     G   5           H1         G   5   8.690  34.401 -19.874
   54   1H2     G   5          1H2         G   5   9.997  35.696 -21.097
   55   2H2     G   5          2H2         G   5  11.528  36.302 -20.500
   56   1H5*    A   6          1H5*        A   6  13.627  39.545 -16.376
   57   2H5*    A   6          2H5*        A   6  13.184  41.136 -15.705
   58    H4*    A   6           H4*        A   6  12.607  41.129 -18.035
   59    H3*    A   6           H3*        A   6  10.133  40.707 -16.334
   60    H2*    A   6           H2*        A   6   8.849  40.905 -18.339
   61   2HO*    A   6          2HO*        A   6   9.876  41.520 -20.297
   62    H1*    A   6           H1*        A   6  10.595  39.368 -19.830
   63    H8     A   6           H8         A   6  10.136  37.888 -16.337
   64   1H6     A   6          1H6         A   6   5.081  35.119 -18.625
   65   2H6     A   6          2H6         A   6   6.171  35.222 -17.261
   66    H2     A   6           H2         A   6   6.627  38.040 -21.681
   67   1H5*    C   7          1H5*        C   7   9.414  43.967 -19.140
   68   2H5*    C   7          2H5*        C   7   8.302  45.125 -18.369
   69    H4*    C   7           H4*        C   7   7.571  44.136 -20.612
   70    H3*    C   7           H3*        C   7   5.778  43.851 -18.187
   71    H2*    C   7           H2*        C   7   4.139  42.881 -19.601
   72   2HO*    C   7          2HO*        C   7   4.358  42.979 -21.877
   73    H1*    C   7           H1*        C   7   5.979  41.478 -21.157
   74   1H4     C   7          1H4         C   7   3.384  37.322 -17.049
   75   2H4     C   7          2H4         C   7   4.557  37.777 -15.838
   76    H5     C   7           H5         C   7   6.144  39.587 -16.139
   77    H6     C   7           H6         C   7   6.936  41.299 -17.676
   78   1H5*    A   8          1H5*        A   8   1.334  46.025 -19.205
   79   2H5*    A   8          2H5*        A   8   1.855  44.668 -18.174
   80    H4*    A   8           H4*        A   8   0.836  44.495 -21.021
   81    H3*    A   8           H3*        A   8  -0.435  43.959 -18.375
   82    H2*    A   8           H2*        A   8  -1.275  41.821 -18.961
   83   2HO*    A   8          2HO*        A   8  -1.868  42.624 -21.173
   84    H1*    A   8           H1*        A   8   0.872  40.876 -20.209
   85    H8     A   8           H8         A   8   2.841  42.857 -17.926
   86   1H6     A   8          1H6         A   8   1.224  39.079 -13.293
   87   2H6     A   8          2H6         A   8   2.330  40.337 -13.797
   88    H2     A   8           H2         A   8  -1.489  38.294 -16.770
   89   1H5*    U   9          1H5*        U   9  -3.537  41.878 -20.272
   90   2H5*    U   9          2H5*        U   9  -4.931  42.922 -19.885
   91    H4*    U   9           H4*        U   9  -5.012  40.451 -19.114
   92    H3*    U   9           H3*        U   9  -6.370  42.532 -17.978
   93    H2*    U   9           H2*        U   9  -4.393  43.134 -16.656
   94   2HO*    U   9          2HO*        U   9  -5.996  41.540 -14.953
   95    H1*    U   9           H1*        U   9  -4.418  40.256 -15.861
   96    H3     U   9           H3         U   9  -1.620  41.559 -12.456
   97    H5     U   9           H5         U   9   0.226  42.915 -15.986
   98    H6     U   9           H6         U   9  -1.694  42.189 -17.194
   99   1H5*    C  10          1H5*        C  10  -9.081  43.489 -16.168
  100   2H5*    C  10          2H5*        C  10  -7.310  43.599 -16.178
  101    H4*    C  10           H4*        C  10  -8.708  43.186 -13.572
  102    H3*    C  10           H3*        C  10  -9.638  45.362 -14.986
  103    H2*    C  10           H2*        C  10  -7.381  46.202 -15.361
  104   2HO*    C  10          2HO*        C  10  -8.712  47.863 -14.382
  105    H1*    C  10           H1*        C  10  -7.001  45.623 -12.423
  106   1H4     C  10          1H4         C  10  -1.085  47.794 -13.549
  107   2H4     C  10          2H4         C  10  -0.876  46.638 -14.843
  108    H5     C  10           H5         C  10  -2.674  45.147 -15.596
  109    H6     C  10           H6         C  10  -4.994  44.518 -15.235
  110   1H5*    C  11          1H5*        C  11 -10.223  43.645  -9.329
  111   2H5*    C  11          2H5*        C  11  -9.308  44.994 -10.051
  112    H4*    C  11           H4*        C  11  -9.664  42.851 -11.941
  113    H3*    C  11           H3*        C  11  -9.164  41.720  -9.365
  114    H2*    C  11           H2*        C  11  -6.988  42.398  -9.140
  115   2HO*    C  11          2HO*        C  11  -6.817  40.128  -9.652
  116    H1*    C  11           H1*        C  11  -6.423  42.459 -12.080
  117   1H4     C  11          1H4         C  11  -2.964  46.987  -8.613
  118   2H4     C  11          2H4         C  11  -1.927  46.494  -9.932
  119    H5     C  11           H5         C  11  -2.610  44.830 -11.608
  120    H6     C  11           H6         C  11  -4.386  43.360 -12.304
  121   1H5*    C  12          1H5*        C  12 -13.041  40.514 -11.630
  122   2H5*    C  12          2H5*        C  12 -13.282  42.075 -10.817
  123    H4*    C  12           H4*        C  12 -13.869  39.810  -9.630
  124    H3*    C  12           H3*        C  12 -13.525  42.316  -8.562
  125    H2*    C  12           H2*        C  12 -11.191  41.988  -8.382
  126   2HO*    C  12          2HO*        C  12 -10.865  41.470  -6.015
  127    H1*    C  12           H1*        C  12 -11.972  39.285  -7.180
  128   1H4     C  12          1H4         C  12  -5.479  38.934  -6.706
  129   2H4     C  12          2H4         C  12  -5.541  38.103  -8.242
  130    H5     C  12           H5         C  12  -7.592  37.923  -9.574
  131    H6     C  12           H6         C  12  -9.934  38.500  -9.665
  132   1H5*    U  13          1H5*        U  13 -17.972  40.534  -9.027
  133   2H5*    U  13          2H5*        U  13 -17.323  39.711  -7.606
  134    H4*    U  13           H4*        U  13 -15.692  40.123 -10.068
  135    H3*    U  13           H3*        U  13 -17.946  38.634 -10.345
  136    H2*    U  13           H2*        U  13 -17.502  37.060  -8.669
  137   2HO*    U  13          2HO*        U  13 -17.528  35.899 -10.680
  138    H1*    U  13           H1*        U  13 -14.582  36.949  -9.333
  139    H3     U  13           H3         U  13 -16.923  36.782  -4.531
  140    H5     U  13           H5         U  13 -13.602  34.481  -5.571
  141    H6     U  13           H6         U  13 -13.607  35.542  -7.775
  142   1H5*    C  14          1H5*        C  14 -15.070  39.923 -12.169
  143   2H5*    C  14          2H5*        C  14 -15.508  41.341 -13.154
  144    H4*    C  14           H4*        C  14 -13.759  40.930 -14.469
  145    H3*    C  14           H3*        C  14 -15.032  38.222 -14.953
  146    H2*    C  14           H2*        C  14 -13.066  37.671 -16.228
  147   2HO*    C  14          2HO*        C  14 -12.118  40.299 -15.636
  148    H1*    C  14           H1*        C  14 -11.386  38.527 -14.251
  149   1H4     C  14          1H4         C  14 -12.815  32.428 -12.882
  150   2H4     C  14          2H4         C  14 -14.159  32.952 -11.897
  151    H5     C  14           H5         C  14 -14.872  35.324 -11.742
  152    H6     C  14           H6         C  14 -14.393  37.552 -12.518
  153   1H5*    A  15          1H5*        A  15 -14.118  39.313 -19.158
  154   2H5*    A  15          2H5*        A  15 -15.476  38.631 -20.094
  155    H4*    A  15           H4*        A  15 -13.121  37.784 -20.651
  156    H3*    A  15           H3*        A  15 -15.287  35.817 -19.871
  157    H2*    A  15           H2*        A  15 -13.753  34.054 -20.431
  158   2HO*    A  15          2HO*        A  15 -11.754  34.559 -21.435
  159    H1*    A  15           H1*        A  15 -11.607  35.328 -19.189
  160    H8     A  15           H8         A  15 -14.308  36.048 -16.829
  161   1H6     A  15          1H6         A  15 -14.137  30.156 -14.929
  162   2H6     A  15          2H6         A  15 -14.754  31.756 -14.583
  163    H2     A  15           H2         A  15 -11.728  30.506 -18.697
  164   1H5*    C  16          1H5*        C  16 -14.046  34.412 -23.620
  165   2H5*    C  16          2H5*        C  16 -15.462  34.081 -24.657
  166    H4*    C  16           H4*        C  16 -13.927  32.148 -24.513
  167    H3*    C  16           H3*        C  16 -16.605  31.747 -23.159
  168    H2*    C  16           H2*        C  16 -15.993  29.449 -22.871
  169   2HO*    C  16          2HO*        C  16 -14.069  28.652 -23.834
  170    H1*    C  16           H1*        C  16 -13.409  30.076 -22.076
  171   1H4     C  16          1H4         C  16 -16.615  29.574 -16.603
  172   2H4     C  16          2H4         C  16 -17.483  31.061 -16.918
  173    H5     C  16           H5         C  16 -17.228  32.334 -18.994
  174    H6     C  16           H6         C  16 -16.091  32.412 -21.131
  175   1H5*    G  17          1H5*        G  17 -16.574  28.559 -26.163
  176   2H5*    G  17          2H5*        G  17 -18.273  28.234 -26.592
  177    H4*    G  17           H4*        G  17 -16.921  26.309 -25.569
  178    H3*    G  17           H3*        G  17 -19.514  27.182 -24.269
  179    H2*    G  17           H2*        G  17 -19.303  25.271 -22.834
  180   2HO*    G  17          2HO*        G  17 -17.700  23.706 -23.228
  181    H1*    G  17           H1*        G  17 -16.589  25.670 -22.429
  182    H8     G  17           H8         G  17 -18.286  29.061 -22.407
  183    H1     G  17           H1         G  17 -19.080  25.814 -16.966
  184   1H2     G  17          1H2         G  17 -18.432  23.711 -17.214
  185   2H2     G  17          2H2         G  17 -17.783  23.115 -18.724
  186   1H5*    G  18          1H5*        G  18 -19.863  22.953 -24.996
  187   2H5*    G  18          2H5*        G  18 -21.479  22.647 -25.685
  188    H4*    G  18           H4*        G  18 -21.028  21.157 -23.788
  189    H3*    G  18           H3*        G  18 -23.091  23.294 -23.195
  190    H2*    G  18           H2*        G  18 -23.497  22.172 -21.119
  191   2HO*    G  18          2HO*        G  18 -22.457  20.157 -20.696
  192    H1*    G  18           H1*        G  18 -20.810  21.788 -20.599
  193    H8     G  18           H8         G  18 -21.378  25.198 -22.213
  194    H1     G  18           H1         G  18 -22.610  25.113 -15.936
  195   1H2     G  18          1H2         G  18 -22.615  23.039 -15.175
  196   2H2     G  18          2H2         G  18 -22.294  21.666 -16.212
  197   1H5*    G  19          1H5*        G  19 -24.964  19.937 -21.938
  198   2H5*    G  19          2H5*        G  19 -26.655  19.900 -22.506
  199    H4*    G  19           H4*        G  19 -26.420  19.694 -20.024
  200    H3*    G  19           H3*        G  19 -27.789  22.213 -21.011
  201    H2*    G  19           H2*        G  19 -28.332  22.668 -18.727
  202   2HO*    G  19          2HO*        G  19 -28.184  21.098 -17.157
  203    H1*    G  19           H1*        G  19 -25.828  21.764 -17.797
  204    H8     G  19           H8         G  19 -25.202  23.974 -20.789
  205    H1     G  19           H1         G  19 -26.614  27.311 -15.520
  206   1H2     G  19          1H2         G  19 -27.367  25.969 -13.941
  207   2H2     G  19          2H2         G  19 -27.527  24.243 -14.178
  208   1H5*    U  20          1H5*        U  20 -30.627  23.292 -20.678
  209   2H5*    U  20          2H5*        U  20 -30.481  22.083 -19.377
  210    H4*    U  20           H4*        U  20 -33.053  23.131 -20.589
  211    H3*    U  20           H3*        U  20 -31.728  23.600 -17.917
  212    H2*    U  20           H2*        U  20 -33.871  23.708 -16.883
  213   2HO*    U  20          2HO*        U  20 -34.849  25.019 -18.563
  214    H1*    U  20           H1*        U  20 -34.991  21.663 -18.451
  215    H3     U  20           H3         U  20 -34.331  20.880 -13.792
  216    H5     U  20           H5         U  20 -31.460  18.735 -16.005
  217    H6     U  20           H6         U  20 -32.112  20.013 -17.967
  218   1H5*    G  21          1H5*        G  21 -31.980  27.984 -15.716
  219   2H5*    G  21          2H5*        G  21 -30.491  27.049 -16.026
  220    H4*    G  21           H4*        G  21 -32.621  26.649 -13.979
  221    H3*    G  21           H3*        G  21 -29.645  26.127 -14.108
  222    H2*    G  21           H2*        G  21 -29.881  24.629 -12.275
  223   2HO*    G  21          2HO*        G  21 -32.508  25.737 -11.989
  224    H1*    G  21           H1*        G  21 -32.375  23.649 -13.134
  225    H8     G  21           H8         G  21 -29.915  23.766 -16.007
  226    H1     G  21           H1         G  21 -29.286  18.582 -12.323
  227   1H2     G  21          1H2         G  21 -30.499  18.793 -10.486
  228   2H2     G  21          2H2         G  21 -31.463  20.215 -10.165
  229   1H5*    A  22          1H5*        A  22 -30.537  27.403 -10.088
  230   2H5*    A  22          2H5*        A  22 -29.171  28.241  -9.297
  231    H4*    A  22           H4*        A  22 -29.911  26.212  -8.059
  232    H3*    A  22           H3*        A  22 -27.155  26.121  -9.302
  233    H2*    A  22           H2*        A  22 -26.811  23.992  -8.230
  234   2HO*    A  22          2HO*        A  22 -27.796  24.460  -6.208
  235    H1*    A  22           H1*        A  22 -29.355  23.077  -8.828
  236    H8     A  22           H8         A  22 -27.607  25.113 -11.604
  237   1H6     A  22          1H6         A  22 -25.497  19.679 -13.649
  238   2H6     A  22          2H6         A  22 -25.600  21.394 -13.975
  239    H2     A  22           H2         A  22 -27.632  18.997  -9.772
  240   1H5*    C  23          1H5*        C  23 -23.301  26.478  -7.011
  241   2H5*    C  23          2H5*        C  23 -23.102  27.128  -8.662
  242    H4*    C  23           H4*        C  23 -23.933  24.369  -7.786
  243    H3*    C  23           H3*        C  23 -21.823  25.488  -9.622
  244    H2*    C  23           H2*        C  23 -21.969  23.580 -11.043
  245   2HO*    C  23          2HO*        C  23 -23.238  21.779 -10.435
  246    H1*    C  23           H1*        C  23 -24.660  23.494 -11.136
  247   1H4     C  23          1H4         C  23 -22.878  27.489 -15.801
  248   2H4     C  23          2H4         C  23 -23.175  28.840 -14.735
  249    H5     C  23           H5         C  23 -23.730  28.569 -12.369
  250    H6     C  23           H6         C  23 -24.117  26.959 -10.608
  251   1H5*    C  24          1H5*        C  24 -20.699  21.563  -9.243
  252   2H5*    C  24          2H5*        C  24 -18.952  21.390  -8.929
  253    H4*    C  24           H4*        C  24 -19.694  20.130 -10.934
  254    H3*    C  24           H3*        C  24 -17.843  22.472 -11.447
  255    H2*    C  24           H2*        C  24 -17.751  21.795 -13.746
  256   2HO*    C  24          2HO*        C  24 -18.708  19.836 -14.407
  257    H1*    C  24           H1*        C  24 -20.466  21.374 -13.928
  258   1H4     C  24          1H4         C  24 -19.422  27.433 -15.711
  259   2H4     C  24          2H4         C  24 -19.776  27.953 -14.082
  260    H5     C  24           H5         C  24 -20.139  26.385 -12.228
  261    H6     C  24           H6         C  24 -20.226  24.058 -11.624
  262   1H5*    G  25          1H5*        G  25 -15.705  19.326 -13.462
  263   2H5*    G  25          2H5*        G  25 -14.033  19.415 -12.843
  264    H4*    G  25           H4*        G  25 -14.111  19.438 -15.311
  265    H3*    G  25           H3*        G  25 -13.223  22.040 -14.037
  266    H2*    G  25           H2*        G  25 -12.713  22.837 -16.241
  267   2HO*    G  25          2HO*        G  25 -12.930  21.395 -18.036
  268    H1*    G  25           H1*        G  25 -15.065  21.895 -17.316
  269    H8     G  25           H8         G  25 -15.563  23.157 -13.738
  270    H1     G  25           H1         G  25 -15.785  27.755 -18.178
  271   1H2     G  25          1H2         G  25 -15.139  26.961 -20.135
  272   2H2     G  25          2H2         G  25 -14.670  25.289 -20.355
  273   1H5*    U  26          1H5*        U  26 -10.383  21.243 -16.960
  274   2H5*    U  26          2H5*        U  26  -8.746  21.478 -16.294
  275    H4*    U  26           H4*        U  26  -9.080  22.759 -18.373
  276    H3*    U  26           H3*        U  26  -8.894  24.482 -15.889
  277    H2*    U  26           H2*        U  26  -8.806  26.372 -17.360
  278   2HO*    U  26          2HO*        U  26  -8.677  26.027 -19.641
  279    H1*    U  26           H1*        U  26 -10.811  25.375 -19.017
  280    H3     U  26           H3         U  26 -12.879  28.850 -16.976
  281    H5     U  26           H5         U  26 -12.451  25.993 -13.903
  282    H6     U  26           H6         U  26 -11.162  24.635 -15.433
  283   1H5*    G  27          1H5*        G  27  -6.003  25.758 -18.622
  284   2H5*    G  27          2H5*        G  27  -4.501  26.316 -17.839
  285    H4*    G  27           H4*        G  27  -5.802  27.909 -19.432
  286    H3*    G  27           H3*        G  27  -4.186  28.478 -17.122
  287    H2*    G  27           H2*        G  27  -5.815  29.542 -15.883
  288   2HO*    G  27          2HO*        G  27  -4.701  31.381 -16.664
  289    H1*    G  27           H1*        G  27  -7.510  30.212 -18.292
  290    H8     G  27           H8         G  27  -8.352  27.625 -15.598
  291    H1     G  27           H1         G  27 -11.314  33.233 -14.813
  292   1H2     G  27          1H2         G  27 -10.506  34.736 -16.221
  293   2H2     G  27          2H2         G  27  -9.240  34.351 -17.366
  294   1H5*    G  28          1H5*        G  28  -4.776  32.671 -18.870
  295   2H5*    G  28          2H5*        G  28  -4.938  31.588 -20.277
  296    H4*    G  28           H4*        G  28  -5.002  33.582 -21.376
  297    H3*    G  28           H3*        G  28  -2.059  33.000 -21.044
  298    H2*    G  28           H2*        G  28  -1.462  35.132 -21.932
  299   2HO*    G  28          2HO*        G  28  -4.252  35.378 -22.545
  300    H1*    G  28           H1*        G  28  -3.254  36.557 -20.478
  301    H8     G  28           H8         G  28  -2.540  33.898 -17.991
  302    H1     G  28           H1         G  28   2.505  37.743 -18.822
  303   1H2     G  28          1H2         G  28   2.253  38.977 -20.643
  304   2H2     G  28          2H2         G  28   0.828  38.861 -21.652
  305   1H5*    U  29          1H5*        U  29  -1.746  34.434 -25.080
  306   2H5*    U  29          2H5*        U  29  -1.068  33.038 -25.964
  307    H4*    U  29           H4*        U  29   0.260  35.059 -26.365
  308    H3*    U  29           H3*        U  29   1.649  33.007 -24.621
  309    H2*    U  29           H2*        U  29   3.614  34.359 -24.757
  310   2HO*    U  29          2HO*        U  29   2.127  35.909 -26.654
  311    H1*    U  29           H1*        U  29   2.246  36.710 -24.307
  312    H3     U  29           H3         U  29   4.682  35.647 -20.562
  313    H5     U  29           H5         U  29   1.052  33.546 -20.172
  314    H6     U  29           H6         U  29   0.512  34.191 -22.439
  315   1H5*    C  30          1H5*        C  30   4.468  33.596 -28.174
  316   2H5*    C  30          2H5*        C  30   5.461  32.112 -28.172
  317    H4*    C  30           H4*        C  30   6.597  34.444 -27.810
  318    H3*    C  30           H3*        C  30   7.144  32.087 -25.987
  319    H2*    C  30           H2*        C  30   8.843  33.432 -24.952
  320   2HO*    C  30          2HO*        C  30   9.381  35.482 -25.857
  321    H1*    C  30           H1*        C  30   7.243  35.723 -24.941
  322   1H4     C  30          1H4         C  30   6.583  32.955 -19.194
  323   2H4     C  30          2H4         C  30   5.213  32.055 -19.799
  324    H5     C  30           H5         C  30   4.543  32.078 -22.153
  325    H6     C  30           H6         C  30   5.056  32.970 -24.331
  326   1H5*    C  31          1H5*        C  31  11.058  33.194 -27.435
  327   2H5*    C  31          2H5*        C  31  12.114  31.757 -27.352
  328    H4*    C  31           H4*        C  31  12.621  33.848 -25.853
  329    H3*    C  31           H3*        C  31  12.549  31.036 -24.732
  330    H2*    C  31           H2*        C  31  13.335  31.964 -22.670
  331   2HO*    C  31          2HO*        C  31  14.091  34.108 -22.575
  332    H1*    C  31           H1*        C  31  11.716  34.265 -22.914
  333   1H4     C  31          1H4         C  31   8.860  30.137 -18.881
  334   2H4     C  31          2H4         C  31   7.823  29.646 -20.201
  335    H5     C  31           H5         C  31   8.157  30.394 -22.513
  336    H6     C  31           H6         C  31   9.532  31.751 -23.960
  337   1H5*    U  32          1H5*        U  32  16.152  32.224 -23.266
  338   2H5*    U  32          2H5*        U  32  17.391  31.056 -23.795
  339    H4*    U  32           H4*        U  32  17.500  31.377 -21.378
  340    H3*    U  32           H3*        U  32  16.333  28.694 -22.162
  341    H2*    U  32           H2*        U  32  16.376  28.104 -19.848
  342   2HO*    U  32          2HO*        U  32  17.470  29.438 -18.338
  343    H1*    U  32           H1*        U  32  15.579  30.660 -19.001
  344    H3     U  32           H3         U  32  12.367  27.531 -17.949
  345    H5     U  32           H5         U  32  11.493  28.803 -21.862
  346    H6     U  32           H6         U  32  13.620  29.961 -21.889
  347   1H5*    C  33          1H5*        C  33  19.643  28.006 -19.511
  348   2H5*    C  33          2H5*        C  33  20.632  26.663 -20.142
  349    H4*    C  33           H4*        C  33  20.021  26.418 -17.732
  350    H3*    C  33           H3*        C  33  18.882  24.354 -19.631
  351    H2*    C  33           H2*        C  33  18.012  23.203 -17.740
  352   2HO*    C  33          2HO*        C  33  18.745  23.666 -15.648
  353    H1*    C  33           H1*        C  33  17.431  25.544 -16.309
  354   1H4     C  33          1H4         C  33  11.682  23.965 -18.495
  355   2H4     C  33          2H4         C  33  12.317  23.531 -20.066
  356    H5     C  33           H5         C  33  14.689  23.717 -20.638
  357    H6     C  33           H6         C  33  16.871  24.365 -19.810
  358   1H5*    C  34          1H5*        C  34  21.083  22.525 -16.315
  359   2H5*    C  34          2H5*        C  34  21.714  20.921 -16.775
  360    H4*    C  34           H4*        C  34  20.097  21.110 -14.735
  361    H3*    C  34           H3*        C  34  19.625  19.120 -16.963
  362    H2*    C  34           H2*        C  34  17.814  18.250 -15.700
  363   2HO*    C  34          2HO*        C  34  18.976  19.724 -13.537
  364    H1*    C  34           H1*        C  34  17.048  20.792 -14.690
  365   1H4     C  34          1H4         C  34  12.794  19.306 -19.210
  366   2H4     C  34          2H4         C  34  13.895  19.863 -20.451
  367    H5     C  34           H5         C  34  16.199  20.580 -19.964
  368    H6     C  34           H6         C  34  17.817  20.911 -18.221
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   4.188  17.481 -13.777
    2   2H5*    G   1          2H5*        G   1   5.018  17.562 -15.331
    3    H4*    G   1           H4*        G   1   6.019  16.080 -12.890
    4    H3*    G   1           H3*        G   1   6.830  18.751 -14.058
    5    H2*    G   1           H2*        G   1   9.073  18.322 -13.333
    6   2HO*    G   1          2HO*        G   1   9.530  16.515 -12.016
    7    H1*    G   1           H1*        G   1   9.071  15.706 -14.193
    8    H8     G   1           H8         G   1   7.245  17.041 -17.032
    9    H1     G   1           H1         G   1  13.171  19.448 -16.936
   10   1H2     G   1          1H2         G   1  14.120  19.093 -14.974
   11   2H2     G   1          2H2         G   1  13.295  18.260 -13.673
   12   1H5*    G   2          1H5*        G   2   8.343  18.795 -10.008
   13   2H5*    G   2          2H5*        G   2   8.226  20.439  -9.323
   14    H4*    G   2           H4*        G   2  10.547  19.408  -9.352
   15    H3*    G   2           H3*        G   2  10.064  22.022 -10.803
   16    H2*    G   2           H2*        G   2  12.416  22.130 -11.252
   17   2HO*    G   2          2HO*        G   2  13.823  20.567 -10.350
   18    H1*    G   2           H1*        G   2  12.577  19.528 -12.062
   19    H8     G   2           H8         G   2   9.217  20.401 -13.369
   20    H1     G   2           H1         G   2  13.810  23.444 -16.599
   21   1H2     G   2          1H2         G   2  15.742  23.329 -15.522
   22   2H2     G   2          2H2         G   2  15.902  22.486 -13.997
   23   1H5*    A   3          1H5*        A   3  13.430  22.832  -9.003
   24   2H5*    A   3          2H5*        A   3  13.406  24.393  -8.139
   25    H4*    A   3           H4*        A   3  15.217  24.131  -9.904
   26    H3*    A   3           H3*        A   3  13.192  26.352 -10.247
   27    H2*    A   3           H2*        A   3  14.469  27.136 -12.065
   28   2HO*    A   3          2HO*        A   3  16.603  26.309 -12.448
   29    H1*    A   3           H1*        A   3  15.157  24.509 -12.939
   30    H8     A   3           H8         A   3  11.480  24.484 -12.470
   31   1H6     A   3          1H6         A   3  11.027  27.465 -17.899
   32   2H6     A   3          2H6         A   3  10.142  26.596 -16.663
   33    H2     A   3           H2         A   3  15.309  27.565 -16.588
   34   1H5*    G   4          1H5*        G   4  16.874  28.419 -10.275
   35   2H5*    G   4          2H5*        G   4  16.707  29.858  -9.239
   36    H4*    G   4           H4*        G   4  17.558  30.511 -11.415
   37    H3*    G   4           H3*        G   4  14.632  31.255 -11.140
   38    H2*    G   4           H2*        G   4  14.929  32.497 -13.170
   39   2HO*    G   4          2HO*        G   4  17.078  32.709 -14.048
   40    H1*    G   4           H1*        G   4  16.577  30.493 -14.292
   41    H8     G   4           H8         G   4  13.542  28.893 -12.707
   42    H1     G   4           H1         G   4  12.335  31.563 -18.401
   43   1H2     G   4          1H2         G   4  14.055  32.805 -19.029
   44   2H2     G   4          2H2         G   4  15.491  32.969 -18.051
   45   1H5*    G   5          1H5*        G   5  16.849  34.862 -12.042
   46   2H5*    G   5          2H5*        G   5  16.150  36.182 -11.068
   47    H4*    G   5           H4*        G   5  16.331  36.769 -13.467
   48    H3*    G   5           H3*        G   5  13.472  36.411 -12.525
   49    H2*    G   5           H2*        G   5  12.835  37.350 -14.636
   50   2HO*    G   5          2HO*        G   5  14.425  38.273 -16.008
   51    H1*    G   5           H1*        G   5  14.867  35.960 -16.010
   52    H8     G   5           H8         G   5  13.040  33.664 -13.580
   53    H1     G   5           H1         G   5   9.886  34.578 -19.073
   54   1H2     G   5          1H2         G   5  10.823  36.202 -20.242
   55   2H2     G   5          2H2         G   5  12.237  37.064 -19.672
   56   1H5*    A   6          1H5*        A   6  13.973  40.398 -14.197
   57   2H5*    A   6          2H5*        A   6  12.965  41.526 -13.254
   58    H4*    A   6           H4*        A   6  12.569  41.675 -15.706
   59    H3*    A   6           H3*        A   6  10.233  40.585 -14.111
   60    H2*    A   6           H2*        A   6   8.949  40.824 -16.131
   61   2HO*    A   6          2HO*        A   6   9.878  41.842 -17.958
   62    H1*    A   6           H1*        A   6  10.978  39.770 -17.703
   63    H8     A   6           H8         A   6  10.914  37.711 -14.549
   64   1H6     A   6          1H6         A   6   6.063  34.688 -16.954
   65   2H6     A   6          2H6         A   6   7.257  34.698 -15.671
   66    H2     A   6           H2         A   6   6.897  38.277 -19.500
   67   1H5*    C   7          1H5*        C   7   9.091  44.041 -16.397
   68   2H5*    C   7          2H5*        C   7   7.893  45.007 -15.503
   69    H4*    C   7           H4*        C   7   7.305  44.346 -17.900
   70    H3*    C   7           H3*        C   7   5.420  43.652 -15.626
   71    H2*    C   7           H2*        C   7   3.887  42.818 -17.223
   72   2HO*    C   7          2HO*        C   7   4.205  43.209 -19.460
   73    H1*    C   7           H1*        C   7   5.827  41.653 -18.844
   74   1H4     C   7          1H4         C   7   3.308  37.064 -15.134
   75   2H4     C   7          2H4         C   7   4.694  37.216 -14.078
   76    H5     C   7           H5         C   7   6.384  38.970 -14.333
   77    H6     C   7           H6         C   7   7.059  40.878 -15.662
   78   1H5*    A   8          1H5*        A   8   1.047  45.882 -15.611
   79   2H5*    A   8          2H5*        A   8   1.824  44.400 -14.988
   80    H4*    A   8           H4*        A   8   0.278  44.708 -17.576
   81    H3*    A   8           H3*        A   8  -0.281  43.206 -15.010
   82    H2*    A   8           H2*        A   8  -1.409  41.528 -16.285
   83   2HO*    A   8          2HO*        A   8  -0.841  43.174 -18.547
   84    H1*    A   8           H1*        A   8   0.563  41.208 -18.000
   85    H8     A   8           H8         A   8   2.808  42.122 -15.387
   86   1H6     A   8          1H6         A   8   1.300  36.981 -12.253
   87   2H6     A   8          2H6         A   8   2.461  38.282 -12.381
   88    H2     A   8           H2         A   8  -1.760  37.675 -15.486
   89   1H5*    U   9          1H5*        U   9  -5.291  43.265 -14.511
   90   2H5*    U   9          2H5*        U   9  -4.531  42.698 -13.006
   91    H4*    U   9           H4*        U   9  -5.611  40.762 -13.517
   92    H3*    U   9           H3*        U   9  -3.183  40.242 -13.921
   93    H2*    U   9           H2*        U   9  -3.081  41.211 -16.127
   94   2HO*    U   9          2HO*        U   9  -2.106  39.239 -16.440
   95    H1*    U   9           H1*        U   9  -5.554  39.716 -16.982
   96    H3     U   9           H3         U   9  -6.486  42.378 -20.572
   97    H5     U   9           H5         U   9  -3.194  44.215 -18.680
   98    H6     U   9           H6         U   9  -3.441  42.634 -16.903
   99   1H5*    C  10          1H5*        C  10  -7.128  35.983 -13.583
  100   2H5*    C  10          2H5*        C  10  -6.561  37.261 -14.689
  101    H4*    C  10           H4*        C  10  -6.534  38.162 -11.944
  102    H3*    C  10           H3*        C  10  -8.698  36.500 -12.175
  103    H2*    C  10           H2*        C  10  -9.514  37.580 -14.134
  104   2HO*    C  10          2HO*        C  10 -11.362  38.666 -13.539
  105    H1*    C  10           H1*        C  10  -8.940  40.223 -12.770
  106   1H4     C  10          1H4         C  10 -10.573  41.452 -19.084
  107   2H4     C  10          2H4         C  10  -9.352  42.669 -18.792
  108    H5     C  10           H5         C  10  -8.006  42.742 -16.739
  109    H6     C  10           H6         C  10  -7.608  41.668 -14.620
  110   1H5*    C  11          1H5*        C  11  -9.004  39.424  -7.106
  111   2H5*    C  11          2H5*        C  11  -9.835  39.254  -8.673
  112    H4*    C  11           H4*        C  11  -9.030  41.626  -7.621
  113    H3*    C  11           H3*        C  11  -9.922  40.814 -10.280
  114    H2*    C  11           H2*        C  11  -7.768  41.115 -11.195
  115   2HO*    C  11          2HO*        C  11  -8.548  43.834 -10.975
  116    H1*    C  11           H1*        C  11  -7.370  43.247  -9.081
  117   1H4     C  11          1H4         C  11  -1.492  43.445 -11.591
  118   2H4     C  11          2H4         C  11  -1.287  41.730 -11.319
  119    H5     C  11           H5         C  11  -3.079  40.295 -10.459
  120    H6     C  11           H6         C  11  -5.352  40.245  -9.698
  121   1H5*    C  12          1H5*        C  12 -11.676  42.114 -13.733
  122   2H5*    C  12          2H5*        C  12 -12.456  43.469 -12.868
  123    H4*    C  12           H4*        C  12 -13.590  41.014 -13.361
  124    H3*    C  12           H3*        C  12 -14.400  43.344 -11.876
  125    H2*    C  12           H2*        C  12 -14.026  42.318  -9.783
  126   2HO*    C  12          2HO*        C  12 -15.918  41.432  -9.010
  127    H1*    C  12           H1*        C  12 -14.637  39.655 -11.077
  128   1H4     C  12          1H4         C  12 -12.377  38.332  -5.042
  129   2H4     C  12          2H4         C  12 -11.293  37.328  -5.974
  130    H5     C  12           H5         C  12 -11.180  37.410  -8.414
  131    H6     C  12           H6         C  12 -12.057  38.454 -10.399
  132   1H5*    U  13          1H5*        U  13 -19.286  40.245 -12.286
  133   2H5*    U  13          2H5*        U  13 -17.901  40.704 -11.262
  134    H4*    U  13           H4*        U  13 -16.962  40.185 -13.905
  135    H3*    U  13           H3*        U  13 -19.154  38.455 -13.472
  136    H2*    U  13           H2*        U  13 -18.098  37.233 -11.751
  137   2HO*    U  13          2HO*        U  13 -17.104  35.392 -12.613
  138    H1*    U  13           H1*        U  13 -15.457  37.646 -13.155
  139    H3     U  13           H3         U  13 -13.302  35.183 -10.047
  140    H5     U  13           H5         U  13 -15.870  37.601  -7.782
  141    H6     U  13           H6         U  13 -16.787  38.469  -9.832
  142   1H5*    C  14          1H5*        C  14 -15.893  39.803 -15.523
  143   2H5*    C  14          2H5*        C  14 -16.266  41.154 -16.625
  144    H4*    C  14           H4*        C  14 -14.464  40.678 -17.847
  145    H3*    C  14           H3*        C  14 -15.570  37.858 -18.032
  146    H2*    C  14           H2*        C  14 -13.491  37.225 -19.063
  147   2HO*    C  14          2HO*        C  14 -12.541  39.875 -18.716
  148    H1*    C  14           H1*        C  14 -12.011  38.371 -17.104
  149   1H4     C  14          1H4         C  14 -13.702  32.502 -15.085
  150   2H4     C  14          2H4         C  14 -14.903  33.238 -14.049
  151    H5     C  14           H5         C  14 -15.428  35.644 -14.117
  152    H6     C  14           H6         C  14 -14.880  37.759 -15.199
  153   1H5*    A  15          1H5*        A  15 -14.286  38.167 -22.342
  154   2H5*    A  15          2H5*        A  15 -15.732  37.493 -23.142
  155    H4*    A  15           H4*        A  15 -13.571  36.322 -23.692
  156    H3*    A  15           H3*        A  15 -15.707  34.696 -22.289
  157    H2*    A  15           H2*        A  15 -14.332  32.758 -22.695
  158   2HO*    A  15          2HO*        A  15 -12.602  34.546 -24.128
  159    H1*    A  15           H1*        A  15 -12.053  34.047 -21.836
  160    H8     A  15           H8         A  15 -14.560  35.503 -19.585
  161   1H6     A  15          1H6         A  15 -14.703  30.168 -16.442
  162   2H6     A  15          2H6         A  15 -15.190  31.850 -16.436
  163    H2     A  15           H2         A  15 -12.492  29.491 -20.278
  164   1H5*    C  16          1H5*        C  16 -14.951  32.483 -25.761
  165   2H5*    C  16          2H5*        C  16 -16.485  32.034 -26.559
  166    H4*    C  16           H4*        C  16 -14.994  30.088 -26.162
  167    H3*    C  16           H3*        C  16 -17.566  30.109 -24.562
  168    H2*    C  16           H2*        C  16 -17.018  27.887 -23.849
  169   2HO*    C  16          2HO*        C  16 -15.220  26.803 -24.771
  170    H1*    C  16           H1*        C  16 -14.351  28.512 -23.401
  171   1H4     C  16          1H4         C  16 -17.137  29.263 -17.724
  172   2H4     C  16          2H4         C  16 -17.883  30.759 -18.242
  173    H5     C  16           H5         C  16 -17.687  31.619 -20.527
  174    H6     C  16           H6         C  16 -16.746  31.201 -22.715
  175   1H5*    G  17          1H5*        G  17 -17.829  26.363 -26.911
  176   2H5*    G  17          2H5*        G  17 -19.565  26.020 -27.129
  177    H4*    G  17           H4*        G  17 -18.184  24.257 -25.896
  178    H3*    G  17           H3*        G  17 -20.595  25.478 -24.533
  179    H2*    G  17           H2*        G  17 -20.289  23.866 -22.781
  180   2HO*    G  17          2HO*        G  17 -18.748  22.199 -23.017
  181    H1*    G  17           H1*        G  17 -17.549  24.224 -22.699
  182    H8     G  17           H8         G  17 -19.121  27.622 -23.264
  183    H1     G  17           H1         G  17 -19.539  25.636 -17.209
  184   1H2     G  17          1H2         G  17 -18.989  23.496 -17.054
  185   2H2     G  17          2H2         G  17 -18.502  22.562 -18.450
  186   1H5*    G  18          1H5*        G  18 -21.213  21.267 -24.223
  187   2H5*    G  18          2H5*        G  18 -22.873  20.940 -24.793
  188    H4*    G  18           H4*        G  18 -22.507  19.875 -22.633
  189    H3*    G  18           H3*        G  18 -24.285  22.320 -22.450
  190    H2*    G  18           H2*        G  18 -24.674  21.752 -20.166
  191   2HO*    G  18          2HO*        G  18 -23.871  19.750 -19.333
  192    H1*    G  18           H1*        G  18 -22.026  21.090 -19.676
  193    H8     G  18           H8         G  18 -22.275  24.178 -21.901
  194    H1     G  18           H1         G  18 -23.045  25.442 -15.675
  195   1H2     G  18          1H2         G  18 -23.244  23.570 -14.523
  196   2H2     G  18          2H2         G  18 -23.179  21.995 -15.284
  197   1H5*    G  19          1H5*        G  19 -26.526  19.374 -20.587
  198   2H5*    G  19          2H5*        G  19 -28.263  19.571 -20.939
  199    H4*    G  19           H4*        G  19 -27.583  19.677 -18.482
  200    H3*    G  19           H3*        G  19 -28.995  22.066 -19.703
  201    H2*    G  19           H2*        G  19 -29.125  22.978 -17.498
  202   2HO*    G  19          2HO*        G  19 -28.872  21.728 -15.702
  203    H1*    G  19           H1*        G  19 -26.542  22.086 -16.807
  204    H8     G  19           H8         G  19 -26.351  23.631 -20.249
  205    H1     G  19           H1         G  19 -26.624  27.999 -15.586
  206   1H2     G  19          1H2         G  19 -27.157  27.045 -13.672
  207   2H2     G  19          2H2         G  19 -27.442  25.325 -13.532
  208   1H5*    U  20          1H5*        U  20 -31.758  23.239 -19.265
  209   2H5*    U  20          2H5*        U  20 -31.526  22.170 -17.858
  210    H4*    U  20           H4*        U  20 -34.194  23.097 -18.963
  211    H3*    U  20           H3*        U  20 -32.602  23.961 -16.544
  212    H2*    U  20           H2*        U  20 -34.621  24.232 -15.316
  213   2HO*    U  20          2HO*        U  20 -35.712  25.340 -17.113
  214    H1*    U  20           H1*        U  20 -35.942  22.063 -16.533
  215    H3     U  20           H3         U  20 -35.431  19.320 -13.024
  216    H5     U  20           H5         U  20 -32.144  21.916 -12.685
  217    H6     U  20           H6         U  20 -32.809  22.942 -14.780
  218   1H5*    G  21          1H5*        G  21 -32.076  28.919 -15.621
  219   2H5*    G  21          2H5*        G  21 -30.797  27.701 -15.869
  220    H4*    G  21           H4*        G  21 -32.643  28.102 -13.540
  221    H3*    G  21           H3*        G  21 -29.719  27.404 -13.863
  222    H2*    G  21           H2*        G  21 -29.755  26.436 -11.690
  223   2HO*    G  21          2HO*        G  21 -30.854  27.727 -10.345
  224    H1*    G  21           H1*        G  21 -32.358  25.407 -11.952
  225    H8     G  21           H8         G  21 -30.313  24.645 -15.044
  226    H1     G  21           H1         G  21 -29.266  20.568 -10.233
  227   1H2     G  21          1H2         G  21 -30.221  21.309  -8.377
  228   2H2     G  21          2H2         G  21 -31.105  22.815  -8.323
  229   1H5*    A  22          1H5*        A  22 -30.128  30.011 -10.343
  230   2H5*    A  22          2H5*        A  22 -28.661  30.976 -10.014
  231    H4*    A  22           H4*        A  22 -29.285  29.597  -8.070
  232    H3*    A  22           H3*        A  22 -26.772  28.722  -9.510
  233    H2*    A  22           H2*        A  22 -26.417  27.121  -7.734
  234   2HO*    A  22          2HO*        A  22 -27.178  28.505  -6.001
  235    H1*    A  22           H1*        A  22 -29.033  26.290  -7.756
  236    H8     A  22           H8         A  22 -27.543  27.202 -11.202
  237   1H6     A  22          1H6         A  22 -26.008  21.234 -11.627
  238   2H6     A  22          2H6         A  22 -26.053  22.767 -12.466
  239    H2     A  22           H2         A  22 -27.696  21.973  -7.545
  240   1H5*    C  23          1H5*        C  23 -22.559  28.461  -7.142
  241   2H5*    C  23          2H5*        C  23 -22.972  28.987  -8.796
  242    H4*    C  23           H4*        C  23 -23.693  26.329  -7.532
  243    H3*    C  23           H3*        C  23 -21.618  27.089  -9.589
  244    H2*    C  23           H2*        C  23 -21.975  25.009 -10.705
  245   2HO*    C  23          2HO*        C  23 -23.278  23.400  -9.773
  246    H1*    C  23           H1*        C  23 -24.689  25.123 -10.582
  247   1H4     C  23          1H4         C  23 -23.076  27.974 -16.066
  248   2H4     C  23          2H4         C  23 -23.086  29.523 -15.255
  249    H5     C  23           H5         C  23 -23.384  29.754 -12.835
  250    H6     C  23           H6         C  23 -23.727  28.550 -10.771
  251   1H5*    C  24          1H5*        C  24 -20.780  23.148  -8.683
  252   2H5*    C  24          2H5*        C  24 -19.041  22.904  -8.372
  253    H4*    C  24           H4*        C  24 -19.889  21.350 -10.087
  254    H3*    C  24           H3*        C  24 -17.998  23.480 -11.115
  255    H2*    C  24           H2*        C  24 -18.030  22.362 -13.236
  256   2HO*    C  24          2HO*        C  24 -19.135  20.352 -13.444
  257    H1*    C  24           H1*        C  24 -20.766  21.997 -13.210
  258   1H4     C  24          1H4         C  24 -19.700  27.503 -16.288
  259   2H4     C  24          2H4         C  24 -19.908  28.366 -14.783
  260    H5     C  24           H5         C  24 -20.181  27.239 -12.618
  261    H6     C  24           H6         C  24 -20.283  25.095 -11.529
  262   1H5*    G  25          1H5*        G  25 -16.025  19.933 -12.528
  263   2H5*    G  25          2H5*        G  25 -14.330  20.082 -11.983
  264    H4*    G  25           H4*        G  25 -14.453  19.616 -14.390
  265    H3*    G  25           H3*        G  25 -13.547  22.430 -13.720
  266    H2*    G  25           H2*        G  25 -13.093  22.742 -16.054
  267   2HO*    G  25          2HO*        G  25 -13.326  20.950 -17.496
  268    H1*    G  25           H1*        G  25 -15.458  21.567 -16.850
  269    H8     G  25           H8         G  25 -15.814  23.632 -13.631
  270    H1     G  25           H1         G  25 -16.401  27.030 -19.018
  271   1H2     G  25          1H2         G  25 -15.857  25.791 -20.766
  272   2H2     G  25          2H2         G  25 -15.361  24.120 -20.608
  273   1H5*    U  26          1H5*        U  26 -10.785  21.063 -16.480
  274   2H5*    U  26          2H5*        U  26  -9.134  21.388 -15.889
  275    H4*    U  26           H4*        U  26  -9.436  22.252 -18.161
  276    H3*    U  26           H3*        U  26  -9.290  24.435 -16.068
  277    H2*    U  26           H2*        U  26  -9.202  26.000 -17.874
  278   2HO*    U  26          2HO*        U  26  -9.033  25.217 -20.046
  279    H1*    U  26           H1*        U  26 -11.160  24.666 -19.346
  280    H3     U  26           H3         U  26 -13.430  28.374 -18.139
  281    H5     U  26           H5         U  26 -12.779  26.388 -14.470
  282    H6     U  26           H6         U  26 -11.451  24.760 -15.664
  283   1H5*    G  27          1H5*        G  27  -6.328  25.195 -18.923
  284   2H5*    G  27          2H5*        G  27  -4.862  25.930 -18.222
  285    H4*    G  27           H4*        G  27  -6.139  27.167 -20.118
  286    H3*    G  27           H3*        G  27  -4.579  28.198 -17.964
  287    H2*    G  27           H2*        G  27  -6.305  29.283 -16.849
  288   2HO*    G  27          2HO*        G  27  -5.260  31.074 -17.721
  289    H1*    G  27           H1*        G  27  -7.941  29.630 -19.370
  290    H8     G  27           H8         G  27  -8.709  27.479 -16.267
  291    H1     G  27           H1         G  27 -12.098  32.886 -16.686
  292   1H2     G  27          1H2         G  27 -11.345  34.129 -18.356
  293   2H2     G  27          2H2         G  27 -10.019  33.619 -19.371
  294   1H5*    G  28          1H5*        G  28  -4.010  32.178 -18.811
  295   2H5*    G  28          2H5*        G  28  -5.268  32.065 -20.069
  296    H4*    G  28           H4*        G  28  -4.486  33.852 -21.200
  297    H3*    G  28           H3*        G  28  -1.689  33.002 -20.404
  298    H2*    G  28           H2*        G  28  -0.933  35.222 -20.911
  299   2HO*    G  28          2HO*        G  28  -2.393  36.739 -21.824
  300    H1*    G  28           H1*        G  28  -2.985  36.434 -19.572
  301    H8     G  28           H8         G  28  -2.523  33.570 -17.315
  302    H1     G  28           H1         G  28   2.499  37.542 -17.090
  303   1H2     G  28          1H2         G  28   2.427  38.962 -18.790
  304   2H2     G  28          2H2         G  28   1.150  38.919 -19.982
  305   1H5*    U  29          1H5*        U  29  -1.031  35.213 -23.816
  306   2H5*    U  29          2H5*        U  29  -0.258  34.158 -25.029
  307    H4*    U  29           H4*        U  29   0.920  36.282 -24.906
  308    H3*    U  29           H3*        U  29   2.460  34.026 -23.600
  309    H2*    U  29           H2*        U  29   4.299  35.546 -23.407
  310   2HO*    U  29          2HO*        U  29   4.175  37.621 -24.374
  311    H1*    U  29           H1*        U  29   2.693  37.633 -22.546
  312    H3     U  29           H3         U  29   5.373  35.971 -19.142
  313    H5     U  29           H5         U  29   1.747  33.833 -18.961
  314    H6     U  29           H6         U  29   1.136  34.818 -21.083
  315   1H5*    C  30          1H5*        C  30   4.919  35.669 -26.781
  316   2H5*    C  30          2H5*        C  30   5.953  34.398 -27.489
  317    H4*    C  30           H4*        C  30   7.167  36.445 -26.624
  318    H3*    C  30           H3*        C  30   7.832  33.774 -25.359
  319    H2*    C  30           H2*        C  30   9.634  34.899 -24.240
  320   2HO*    C  30          2HO*        C  30  10.142  37.064 -24.776
  321    H1*    C  30           H1*        C  30   8.063  37.132 -23.643
  322   1H4     C  30          1H4         C  30   7.979  33.291 -18.504
  323   2H4     C  30          2H4         C  30   6.480  32.597 -19.079
  324    H5     C  30           H5         C  30   5.520  33.126 -21.277
  325    H6     C  30           H6         C  30   5.832  34.406 -23.297
  326   1H5*    C  31          1H5*        C  31  11.450  35.212 -26.768
  327   2H5*    C  31          2H5*        C  31  12.493  33.914 -27.410
  328    H4*    C  31           H4*        C  31  13.533  35.247 -25.563
  329    H3*    C  31           H3*        C  31  13.010  32.324 -24.964
  330    H2*    C  31           H2*        C  31  14.296  32.646 -22.963
  331   2HO*    C  31          2HO*        C  31  15.402  34.627 -22.624
  332    H1*    C  31           H1*        C  31  13.098  35.114 -22.423
  333   1H4     C  31          1H4         C  31  10.065  30.699 -18.943
  334   2H4     C  31          2H4         C  31   8.842  30.581 -20.191
  335    H5     C  31           H5         C  31   9.033  31.724 -22.359
  336    H6     C  31           H6         C  31  10.437  33.172 -23.705
  337   1H5*    U  32          1H5*        U  32  17.145  32.589 -24.249
  338   2H5*    U  32          2H5*        U  32  17.933  31.248 -25.124
  339    H4*    U  32           H4*        U  32  18.632  31.270 -22.785
  340    H3*    U  32           H3*        U  32  16.721  28.998 -23.386
  341    H2*    U  32           H2*        U  32  17.232  28.173 -21.197
  342   2HO*    U  32          2HO*        U  32  19.243  30.213 -21.133
  343    H1*    U  32           H1*        U  32  17.173  30.728 -20.057
  344    H3     U  32           H3         U  32  13.665  28.337 -18.352
  345    H5     U  32           H5         U  32  12.325  29.716 -22.099
  346    H6     U  32           H6         U  32  14.574  30.488 -22.545
  347   1H5*    C  33          1H5*        C  33  20.638  27.467 -21.934
  348   2H5*    C  33          2H5*        C  33  20.834  25.766 -22.435
  349    H4*    C  33           H4*        C  33  20.908  26.412 -19.890
  350    H3*    C  33           H3*        C  33  19.197  24.129 -20.899
  351    H2*    C  33           H2*        C  33  18.798  23.609 -18.607
  352   2HO*    C  33          2HO*        C  33  20.833  25.525 -17.987
  353    H1*    C  33           H1*        C  33  18.679  26.325 -17.852
  354   1H4     C  33          1H4         C  33  12.789  23.790 -18.053
  355   2H4     C  33          2H4         C  33  12.550  24.617 -19.571
  356    H5     C  33           H5         C  33  14.302  25.780 -20.726
  357    H6     C  33           H6         C  33  16.672  26.391 -20.684
  358   1H5*    C  34          1H5*        C  34  21.673  22.570 -17.812
  359   2H5*    C  34          2H5*        C  34  21.932  20.821 -18.042
  360    H4*    C  34           H4*        C  34  20.676  21.741 -15.917
  361    H3*    C  34           H3*        C  34  19.857  19.332 -17.545
  362    H2*    C  34           H2*        C  34  17.909  19.027 -16.225
  363   2HO*    C  34          2HO*        C  34  17.730  20.003 -14.164
  364    H1*    C  34           H1*        C  34  17.468  21.757 -15.690
  365   1H4     C  34          1H4         C  34  13.104  19.845 -19.977
  366   2H4     C  34          2H4         C  34  14.158  20.398 -21.261
  367    H5     C  34           H5         C  34  16.466  21.185 -20.848
  368    H6     C  34           H6         C  34  18.109  21.596 -19.151
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   4.427  17.515 -15.215
    2   2H5*    G   1          2H5*        G   1   5.349  17.854 -16.680
    3    H4*    G   1           H4*        G   1   6.221  15.991 -14.459
    4    H3*    G   1           H3*        G   1   7.080  18.818 -15.128
    5    H2*    G   1           H2*        G   1   9.261  18.270 -14.307
    6   2HO*    G   1          2HO*        G   1   9.639  16.384 -13.164
    7    H1*    G   1           H1*        G   1   9.328  15.805 -15.558
    8    H8     G   1           H8         G   1   7.788  17.613 -18.303
    9    H1     G   1           H1         G   1  13.681  19.864 -17.252
   10   1H2     G   1          1H2         G   1  14.436  19.165 -15.297
   11   2H2     G   1          2H2         G   1  13.484  18.150 -14.237
   12   1H5*    G   2          1H5*        G   2   8.363  18.405 -10.966
   13   2H5*    G   2          2H5*        G   2   8.116  19.987 -10.176
   14    H4*    G   2           H4*        G   2  10.489  19.064 -10.138
   15    H3*    G   2           H3*        G   2   9.955  21.771 -11.384
   16    H2*    G   2           H2*        G   2  12.321  22.034 -11.654
   17   2HO*    G   2          2HO*        G   2  13.755  20.491 -10.761
   18    H1*    G   2           H1*        G   2  12.690  19.485 -12.615
   19    H8     G   2           H8         G   2   9.445  20.339 -14.170
   20    H1     G   2           H1         G   2  14.208  23.731 -16.752
   21   1H2     G   2          1H2         G   2  16.029  23.592 -15.501
   22   2H2     G   2          2H2         G   2  16.073  22.648 -14.029
   23   1H5*    A   3          1H5*        A   3  13.125  22.610  -9.067
   24   2H5*    A   3          2H5*        A   3  12.898  24.131  -8.162
   25    H4*    A   3           H4*        A   3  14.923  24.030  -9.706
   26    H3*    A   3           H3*        A   3  12.844  26.176 -10.189
   27    H2*    A   3           H2*        A   3  14.315  27.112 -11.794
   28   2HO*    A   3          2HO*        A   3  16.494  26.374 -11.958
   29    H1*    A   3           H1*        A   3  15.142  24.573 -12.752
   30    H8     A   3           H8         A   3  11.471  24.292 -12.621
   31   1H6     A   3          1H6         A   3  11.239  27.759 -17.761
   32   2H6     A   3          2H6         A   3  10.324  26.715 -16.694
   33    H2     A   3           H2         A   3  15.380  28.018 -16.064
   34   1H5*    G   4          1H5*        G   4  16.304  28.864  -9.394
   35   2H5*    G   4          2H5*        G   4  15.530  30.177  -8.468
   36    H4*    G   4           H4*        G   4  16.723  30.910 -10.562
   37    H3*    G   4           H3*        G   4  13.728  31.379 -10.504
   38    H2*    G   4           H2*        G   4  14.061  32.694 -12.481
   39   2HO*    G   4          2HO*        G   4  16.158  33.253 -13.159
   40    H1*    G   4           H1*        G   4  15.953  30.878 -13.521
   41    H8     G   4           H8         G   4  12.984  28.962 -12.171
   42    H1     G   4           H1         G   4  11.883  31.635 -17.887
   43   1H2     G   4          1H2         G   4  13.516  33.040 -18.394
   44   2H2     G   4          2H2         G   4  14.866  33.324 -17.322
   45   1H5*    G   5          1H5*        G   5  15.755  35.387 -10.899
   46   2H5*    G   5          2H5*        G   5  14.542  36.610 -10.429
   47    H4*    G   5           H4*        G   5  15.549  36.589 -12.865
   48    H3*    G   5           H3*        G   5  12.568  36.819 -12.364
   49    H2*    G   5           H2*        G   5  12.362  37.249 -14.711
   50   2HO*    G   5          2HO*        G   5  14.270  37.568 -15.979
   51    H1*    G   5           H1*        G   5  14.326  35.344 -15.374
   52    H8     G   5           H8         G   5  12.021  33.723 -12.873
   53    H1     G   5           H1         G   5   9.388  34.171 -18.683
   54   1H2     G   5          1H2         G   5  10.575  35.519 -19.972
   55   2H2     G   5          2H2         G   5  12.035  36.301 -19.407
   56   1H5*    A   6          1H5*        A   6  13.784  40.042 -14.999
   57   2H5*    A   6          2H5*        A   6  12.839  41.484 -14.542
   58    H4*    A   6           H4*        A   6  12.694  40.856 -16.973
   59    H3*    A   6           H3*        A   6  10.124  40.781 -15.370
   60    H2*    A   6           H2*        A   6   8.967  40.423 -17.437
   61   2HO*    A   6          2HO*        A   6  11.514  40.887 -18.676
   62    H1*    A   6           H1*        A   6  10.811  38.593 -18.362
   63    H8     A   6           H8         A   6  10.338  37.922 -14.665
   64   1H6     A   6          1H6         A   6   5.197  34.825 -16.265
   65   2H6     A   6          2H6         A   6   6.309  35.177 -14.957
   66    H2     A   6           H2         A   6   6.703  37.043 -19.856
   67   1H5*    C   7          1H5*        C   7   9.508  43.050 -18.964
   68   2H5*    C   7          2H5*        C   7   8.490  44.459 -18.579
   69    H4*    C   7           H4*        C   7   7.705  42.946 -20.490
   70    H3*    C   7           H3*        C   7   5.887  43.513 -18.141
   71    H2*    C   7           H2*        C   7   4.164  42.311 -19.261
   72   2HO*    C   7          2HO*        C   7   4.369  41.755 -21.464
   73    H1*    C   7           H1*        C   7   5.898  40.374 -20.313
   74   1H4     C   7          1H4         C   7   3.005  37.642 -15.322
   75   2H4     C   7          2H4         C   7   4.225  38.298 -14.250
   76    H5     C   7           H5         C   7   5.974  39.860 -15.010
   77    H6     C   7           H6         C   7   6.840  41.063 -16.919
   78   1H5*    A   8          1H5*        A   8   2.287  45.134 -17.959
   79   2H5*    A   8          2H5*        A   8   3.246  43.638 -18.098
   80    H4*    A   8           H4*        A   8   1.278  43.952 -20.242
   81    H3*    A   8           H3*        A   8   0.333  43.903 -17.382
   82    H2*    A   8           H2*        A   8  -1.347  42.323 -17.939
   83   2HO*    A   8          2HO*        A   8  -1.615  43.338 -20.150
   84    H1*    A   8           H1*        A   8   0.283  40.659 -19.208
   85    H8     A   8           H8         A   8   2.447  42.501 -16.784
   86   1H6     A   8          1H6         A   8   0.569  38.480 -12.459
   87   2H6     A   8          2H6         A   8   1.707  39.755 -12.829
   88    H2     A   8           H2         A   8  -1.972  37.927 -16.117
   89   1H5*    U   9          1H5*        U   9  -3.794  43.393 -18.405
   90   2H5*    U   9          2H5*        U   9  -4.282  45.037 -17.972
   91    H4*    U   9           H4*        U   9  -5.191  44.426 -16.056
   92    H3*    U   9           H3*        U   9  -3.153  43.798 -14.882
   93    H2*    U   9           H2*        U   9  -2.633  42.273 -16.787
   94   2HO*    U   9          2HO*        U   9  -2.991  40.716 -14.443
   95    H1*    U   9           H1*        U   9  -4.984  40.636 -15.824
   96    H3     U   9           H3         U   9  -4.995  37.618 -19.214
   97    H5     U   9           H5         U   9  -2.340  40.609 -20.528
   98    H6     U   9           H6         U   9  -2.933  41.864 -18.560
   99   1H5*    C  10          1H5*        C  10  -9.155  43.302 -13.596
  100   2H5*    C  10          2H5*        C  10  -8.019  43.172 -12.242
  101    H4*    C  10           H4*        C  10  -9.215  41.110 -12.396
  102    H3*    C  10           H3*        C  10  -6.404  41.064 -12.547
  103    H2*    C  10           H2*        C  10  -6.390  40.635 -14.889
  104   2HO*    C  10          2HO*        C  10  -6.666  38.065 -13.717
  105    H1*    C  10           H1*        C  10  -8.786  38.868 -14.437
  106   1H4     C  10          1H4         C  10  -9.307  38.635 -20.767
  107   2H4     C  10          2H4         C  10  -8.212  39.983 -20.967
  108    H5     C  10           H5         C  10  -7.211  41.180 -19.068
  109    H6     C  10           H6         C  10  -7.093  41.279 -16.669
  110   1H5*    C  11          1H5*        C  11  -7.262  38.741  -8.040
  111   2H5*    C  11          2H5*        C  11  -8.443  39.060  -9.340
  112    H4*    C  11           H4*        C  11  -8.454  40.573  -7.222
  113    H3*    C  11           H3*        C  11  -9.366  41.159  -9.764
  114    H2*    C  11           H2*        C  11  -7.249  42.053 -10.469
  115   2HO*    C  11          2HO*        C  11  -8.727  44.247  -9.433
  116    H1*    C  11           H1*        C  11  -7.186  43.495  -7.800
  117   1H4     C  11          1H4         C  11  -1.340  45.290  -9.582
  118   2H4     C  11          2H4         C  11  -1.099  43.827 -10.508
  119    H5     C  11           H5         C  11  -2.807  42.076 -10.696
  120    H6     C  11           H6         C  11  -5.029  41.417 -10.035
  121   1H5*    C  12          1H5*        C  12 -13.155  41.414 -10.944
  122   2H5*    C  12          2H5*        C  12 -13.523  42.316  -9.442
  123    H4*    C  12           H4*        C  12 -14.246  40.148  -8.960
  124    H3*    C  12           H3*        C  12 -12.166  40.923  -7.366
  125    H2*    C  12           H2*        C  12 -10.644  39.985  -8.991
  126   2HO*    C  12          2HO*        C  12 -10.297  37.725  -7.643
  127    H1*    C  12           H1*        C  12 -12.428  37.567  -8.742
  128   1H4     C  12          1H4         C  12  -7.990  34.883 -12.517
  129   2H4     C  12          2H4         C  12  -8.511  35.923 -13.823
  130    H5     C  12           H5         C  12 -10.149  37.721 -13.516
  131    H6     C  12           H6         C  12 -11.568  38.836 -11.915
  132   1H5*    U  13          1H5*        U  13 -16.698  40.107  -8.321
  133   2H5*    U  13          2H5*        U  13 -17.477  38.514  -8.470
  134    H4*    U  13           H4*        U  13 -15.492  39.843 -10.189
  135    H3*    U  13           H3*        U  13 -17.891  38.282 -10.586
  136    H2*    U  13           H2*        U  13 -16.896  36.325 -11.221
  137   2HO*    U  13          2HO*        U  13 -15.864  37.938 -13.297
  138    H1*    U  13           H1*        U  13 -14.138  37.472 -11.652
  139    H3     U  13           H3         U  13 -12.534  33.294 -11.338
  140    H5     U  13           H5         U  13 -15.368  33.499  -8.237
  141    H6     U  13           H6         U  13 -15.896  35.737  -8.957
  142   1H5*    C  14          1H5*        C  14 -15.773  41.119 -15.240
  143   2H5*    C  14          2H5*        C  14 -16.759  39.842 -15.999
  144    H4*    C  14           H4*        C  14 -14.246  40.592 -16.812
  145    H3*    C  14           H3*        C  14 -15.525  37.852 -17.074
  146    H2*    C  14           H2*        C  14 -13.561  37.232 -18.331
  147   2HO*    C  14          2HO*        C  14 -11.912  38.826 -18.643
  148    H1*    C  14           H1*        C  14 -11.904  38.211 -16.402
  149   1H4     C  14          1H4         C  14 -13.395  32.198 -14.706
  150   2H4     C  14          2H4         C  14 -14.671  32.820 -13.690
  151    H5     C  14           H5         C  14 -15.311  35.181 -13.649
  152    H6     C  14           H6         C  14 -14.819  37.361 -14.555
  153   1H5*    A  15          1H5*        A  15 -14.317  38.412 -21.176
  154   2H5*    A  15          2H5*        A  15 -15.691  37.816 -22.147
  155    H4*    A  15           H4*        A  15 -13.509  36.673 -22.632
  156    H3*    A  15           H3*        A  15 -15.708  34.939 -21.476
  157    H2*    A  15           H2*        A  15 -14.292  33.047 -21.964
  158   2HO*    A  15          2HO*        A  15 -12.326  33.366 -23.078
  159    H1*    A  15           H1*        A  15 -12.083  34.279 -20.869
  160    H8     A  15           H8         A  15 -14.809  35.491 -18.690
  161   1H6     A  15          1H6         A  15 -14.904  29.932 -15.967
  162   2H6     A  15          2H6         A  15 -15.476  31.582 -15.874
  163    H2     A  15           H2         A  15 -12.375  29.658 -19.661
  164   1H5*    C  16          1H5*        C  16 -14.705  32.902 -24.922
  165   2H5*    C  16          2H5*        C  16 -16.168  32.533 -25.876
  166    H4*    C  16           H4*        C  16 -14.765  30.530 -25.453
  167    H3*    C  16           H3*        C  16 -17.471  30.545 -24.089
  168    H2*    C  16           H2*        C  16 -17.045  28.282 -23.424
  169   2HO*    C  16          2HO*        C  16 -15.213  27.177 -24.229
  170    H1*    C  16           H1*        C  16 -14.420  28.808 -22.702
  171   1H4     C  16          1H4         C  16 -17.613  29.529 -17.250
  172   2H4     C  16          2H4         C  16 -18.401  30.976 -17.840
  173    H5     C  16           H5         C  16 -18.089  31.823 -20.119
  174    H6     C  16           H6         C  16 -16.947  31.442 -22.223
  175   1H5*    G  17          1H5*        G  17 -17.734  26.860 -26.770
  176   2H5*    G  17          2H5*        G  17 -19.491  26.609 -26.948
  177    H4*    G  17           H4*        G  17 -18.063  24.768 -25.795
  178    H3*    G  17           H3*        G  17 -20.573  25.874 -24.512
  179    H2*    G  17           H2*        G  17 -20.319  24.205 -22.807
  180   2HO*    G  17          2HO*        G  17 -18.671  22.608 -23.023
  181    H1*    G  17           H1*        G  17 -17.603  24.618 -22.554
  182    H8     G  17           H8         G  17 -19.317  27.972 -23.118
  183    H1     G  17           H1         G  17 -19.758  25.857 -17.111
  184   1H2     G  17          1H2         G  17 -19.093  23.749 -16.981
  185   2H2     G  17          2H2         G  17 -18.520  22.871 -18.380
  186   1H5*    G  18          1H5*        G  18 -21.000  21.635 -24.468
  187   2H5*    G  18          2H5*        G  18 -22.666  21.221 -24.956
  188    H4*    G  18           H4*        G  18 -22.015  20.169 -22.810
  189    H3*    G  18           H3*        G  18 -24.151  22.304 -22.600
  190    H2*    G  18           H2*        G  18 -24.406  21.687 -20.307
  191   2HO*    G  18          2HO*        G  18 -23.322  19.834 -19.488
  192    H1*    G  18           H1*        G  18 -21.676  21.444 -19.871
  193    H8     G  18           H8         G  18 -22.295  24.483 -22.046
  194    H1     G  18           H1         G  18 -23.543  25.535 -15.860
  195   1H2     G  18          1H2         G  18 -23.550  23.633 -14.742
  196   2H2     G  18          2H2         G  18 -23.233  22.095 -15.513
  197   1H5*    G  19          1H5*        G  19 -25.844  19.326 -20.473
  198   2H5*    G  19          2H5*        G  19 -27.549  19.111 -20.949
  199    H4*    G  19           H4*        G  19 -27.224  19.567 -18.505
  200    H3*    G  19           H3*        G  19 -28.708  21.698 -20.072
  201    H2*    G  19           H2*        G  19 -29.179  22.751 -17.984
  202   2HO*    G  19          2HO*        G  19 -29.195  21.642 -16.124
  203    H1*    G  19           H1*        G  19 -26.640  22.139 -16.920
  204    H8     G  19           H8         G  19 -26.200  23.531 -20.415
  205    H1     G  19           H1         G  19 -27.328  28.066 -16.045
  206   1H2     G  19          1H2         G  19 -27.966  27.154 -14.143
  207   2H2     G  19          2H2         G  19 -28.116  25.423 -13.939
  208   1H5*    U  20          1H5*        U  20 -31.485  22.748 -19.762
  209   2H5*    U  20          2H5*        U  20 -31.389  21.877 -18.211
  210    H4*    U  20           H4*        U  20 -33.943  22.583 -19.681
  211    H3*    U  20           H3*        U  20 -32.594  23.863 -17.303
  212    H2*    U  20           H2*        U  20 -34.726  24.299 -16.338
  213   2HO*    U  20          2HO*        U  20 -35.708  25.042 -18.334
  214    H1*    U  20           H1*        U  20 -35.877  21.879 -17.218
  215    H3     U  20           H3         U  20 -35.241  22.620 -12.531
  216    H5     U  20           H5         U  20 -32.473  19.767 -13.924
  217    H6     U  20           H6         U  20 -33.080  20.382 -16.196
  218   1H5*    G  21          1H5*        G  21 -32.888  28.687 -16.553
  219   2H5*    G  21          2H5*        G  21 -31.368  27.756 -16.590
  220    H4*    G  21           H4*        G  21 -33.401  28.015 -14.451
  221    H3*    G  21           H3*        G  21 -30.453  27.366 -14.550
  222    H2*    G  21           H2*        G  21 -30.611  26.476 -12.350
  223   2HO*    G  21          2HO*        G  21 -33.193  27.711 -12.273
  224    H1*    G  21           H1*        G  21 -33.140  25.344 -12.739
  225    H8     G  21           H8         G  21 -30.852  24.631 -15.685
  226    H1     G  21           H1         G  21 -30.049  20.617 -10.776
  227   1H2     G  21          1H2         G  21 -31.161  21.338  -9.005
  228   2H2     G  21          2H2         G  21 -32.099  22.811  -9.030
  229   1H5*    A  22          1H5*        A  22 -31.135  30.008 -11.010
  230   2H5*    A  22          2H5*        A  22 -29.659  30.959 -10.681
  231    H4*    A  22           H4*        A  22 -30.396  29.649  -8.710
  232    H3*    A  22           H3*        A  22 -27.785  28.783  -9.980
  233    H2*    A  22           H2*        A  22 -27.503  27.230  -8.161
  234   2HO*    A  22          2HO*        A  22 -28.937  27.261  -6.403
  235    H1*    A  22           H1*        A  22 -30.076  26.332  -8.290
  236    H8     A  22           H8         A  22 -28.539  27.208 -11.723
  237   1H6     A  22          1H6         A  22 -26.702  21.318 -11.923
  238   2H6     A  22          2H6         A  22 -26.806  22.822 -12.811
  239    H2     A  22           H2         A  22 -28.493  22.098  -7.896
  240   1H5*    C  23          1H5*        C  23 -24.486  28.309  -7.210
  241   2H5*    C  23          2H5*        C  23 -23.579  28.769  -8.676
  242    H4*    C  23           H4*        C  23 -24.947  26.242  -7.991
  243    H3*    C  23           H3*        C  23 -22.661  27.041  -9.795
  244    H2*    C  23           H2*        C  23 -22.917  25.001 -11.014
  245   2HO*    C  23          2HO*        C  23 -24.399  23.409 -10.287
  246    H1*    C  23           H1*        C  23 -25.617  25.178 -11.210
  247   1H4     C  23          1H4         C  23 -23.353  28.326 -16.282
  248   2H4     C  23          2H4         C  23 -23.383  29.819 -15.369
  249    H5     C  23           H5         C  23 -23.915  29.901 -12.971
  250    H6     C  23           H6         C  23 -24.525  28.580 -11.051
  251   1H5*    C  24          1H5*        C  24 -21.769  23.083  -8.891
  252   2H5*    C  24          2H5*        C  24 -20.072  22.922  -8.364
  253    H4*    C  24           H4*        C  24 -20.610  21.373 -10.206
  254    H3*    C  24           H3*        C  24 -18.711  23.618 -10.927
  255    H2*    C  24           H2*        C  24 -18.423  22.592 -13.073
  256   2HO*    C  24          2HO*        C  24 -19.377  20.540 -13.489
  257    H1*    C  24           H1*        C  24 -21.113  22.091 -13.412
  258   1H4     C  24          1H4         C  24 -19.929  27.778 -16.101
  259   2H4     C  24          2H4         C  24 -20.464  28.556 -14.632
  260    H5     C  24           H5         C  24 -21.021  27.317 -12.584
  261    H6     C  24           H6         C  24 -21.134  25.121 -11.599
  262   1H5*    G  25          1H5*        G  25 -16.491  20.088 -12.044
  263   2H5*    G  25          2H5*        G  25 -14.803  20.316 -11.513
  264    H4*    G  25           H4*        G  25 -15.030  19.776 -13.943
  265    H3*    G  25           H3*        G  25 -13.911  22.504 -13.250
  266    H2*    G  25           H2*        G  25 -13.490  22.839 -15.581
  267   2HO*    G  25          2HO*        G  25 -13.862  21.081 -17.056
  268    H1*    G  25           H1*        G  25 -15.914  21.770 -16.376
  269    H8     G  25           H8         G  25 -16.192  23.889 -13.191
  270    H1     G  25           H1         G  25 -16.515  27.261 -18.619
  271   1H2     G  25          1H2         G  25 -16.004  25.985 -20.345
  272   2H2     G  25          2H2         G  25 -15.601  24.290 -20.170
  273   1H5*    U  26          1H5*        U  26 -11.252  20.876 -16.165
  274   2H5*    U  26          2H5*        U  26  -9.600  21.077 -15.523
  275    H4*    U  26           H4*        U  26  -9.735  21.950 -17.796
  276    H3*    U  26           H3*        U  26  -9.564  24.139 -15.711
  277    H2*    U  26           H2*        U  26  -9.310  25.689 -17.517
  278   2HO*    U  26          2HO*        U  26  -9.131  24.868 -19.685
  279    H1*    U  26           H1*        U  26 -11.294  24.492 -19.050
  280    H3     U  26           H3         U  26 -13.436  28.273 -17.828
  281    H5     U  26           H5         U  26 -12.947  26.207 -14.180
  282    H6     U  26           H6         U  26 -11.666  24.538 -15.373
  283   1H5*    G  27          1H5*        G  27  -6.432  24.779 -18.392
  284   2H5*    G  27          2H5*        G  27  -4.962  25.396 -17.591
  285    H4*    G  27           H4*        G  27  -6.031  26.779 -19.501
  286    H3*    G  27           H3*        G  27  -4.580  27.638 -17.210
  287    H2*    G  27           H2*        G  27  -6.302  28.774 -16.166
  288   2HO*    G  27          2HO*        G  27  -5.110  30.531 -16.916
  289    H1*    G  27           H1*        G  27  -7.757  29.308 -18.771
  290    H8     G  27           H8         G  27  -8.826  27.071 -15.822
  291    H1     G  27           H1         G  27 -11.954  32.634 -16.203
  292   1H2     G  27          1H2         G  27 -11.050  33.922 -17.760
  293   2H2     G  27          2H2         G  27  -9.681  33.401 -18.716
  294   1H5*    G  28          1H5*        G  28  -4.216  31.804 -18.182
  295   2H5*    G  28          2H5*        G  28  -5.243  31.253 -19.531
  296    H4*    G  28           H4*        G  28  -4.821  33.094 -20.707
  297    H3*    G  28           H3*        G  28  -1.898  32.637 -20.057
  298    H2*    G  28           H2*        G  28  -1.428  34.874 -20.777
  299   2HO*    G  28          2HO*        G  28  -3.116  36.146 -21.695
  300    H1*    G  28           H1*        G  28  -3.525  35.975 -19.410
  301    H8     G  28           H8         G  28  -2.761  33.533 -16.846
  302    H1     G  28           H1         G  28   2.171  37.564 -17.577
  303   1H2     G  28          1H2         G  28   1.972  38.680 -19.478
  304   2H2     G  28          2H2         G  28   0.619  38.439 -20.560
  305   1H5*    U  29          1H5*        U  29  -1.438  34.643 -23.498
  306   2H5*    U  29          2H5*        U  29  -0.703  33.557 -24.707
  307    H4*    U  29           H4*        U  29   0.493  35.656 -24.713
  308    H3*    U  29           H3*        U  29   2.042  33.467 -23.303
  309    H2*    U  29           H2*        U  29   3.884  34.986 -23.156
  310   2HO*    U  29          2HO*        U  29   3.780  37.018 -24.200
  311    H1*    U  29           H1*        U  29   2.323  37.098 -22.354
  312    H3     U  29           H3         U  29   4.832  35.538 -18.828
  313    H5     U  29           H5         U  29   1.270  33.301 -18.769
  314    H6     U  29           H6         U  29   0.709  34.259 -20.920
  315   1H5*    C  30          1H5*        C  30   4.543  35.222 -26.390
  316   2H5*    C  30          2H5*        C  30   5.578  33.963 -27.117
  317    H4*    C  30           H4*        C  30   6.798  35.994 -26.243
  318    H3*    C  30           H3*        C  30   7.458  33.317 -24.987
  319    H2*    C  30           H2*        C  30   9.257  34.430 -23.850
  320   2HO*    C  30          2HO*        C  30   9.692  36.651 -24.336
  321    H1*    C  30           H1*        C  30   7.691  36.624 -23.188
  322   1H4     C  30          1H4         C  30   7.477  32.610 -18.207
  323   2H4     C  30          2H4         C  30   6.021  31.894 -18.862
  324    H5     C  30           H5         C  30   5.127  32.478 -21.073
  325    H6     C  30           H6         C  30   5.473  33.843 -23.032
  326   1H5*    C  31          1H5*        C  31  11.145  34.880 -26.509
  327   2H5*    C  31          2H5*        C  31  12.219  33.555 -27.033
  328    H4*    C  31           H4*        C  31  13.160  35.106 -25.258
  329    H3*    C  31           H3*        C  31  12.886  32.166 -24.584
  330    H2*    C  31           H2*        C  31  14.095  32.634 -22.573
  331   2HO*    C  31          2HO*        C  31  15.047  34.696 -22.258
  332    H1*    C  31           H1*        C  31  12.728  35.024 -22.109
  333   1H4     C  31          1H4         C  31   9.931  30.495 -18.552
  334   2H4     C  31          2H4         C  31   8.771  30.233 -19.834
  335    H5     C  31           H5         C  31   8.940  31.309 -22.032
  336    H6     C  31           H6         C  31  10.258  32.821 -23.386
  337   1H5*    U  32          1H5*        U  32  17.151  33.120 -24.064
  338   2H5*    U  32          2H5*        U  32  18.078  31.702 -24.624
  339    H4*    U  32           H4*        U  32  18.665  32.427 -22.309
  340    H3*    U  32           H3*        U  32  17.359  29.705 -22.545
  341    H2*    U  32           H2*        U  32  17.863  29.396 -20.222
  342   2HO*    U  32          2HO*        U  32  19.124  30.981 -19.117
  343    H1*    U  32           H1*        U  32  17.072  31.968 -19.542
  344    H3     U  32           H3         U  32  13.992  29.024 -17.834
  345    H5     U  32           H5         U  32  12.841  29.630 -21.839
  346    H6     U  32           H6         U  32  14.908  30.834 -22.184
  347   1H5*    C  33          1H5*        C  33  21.078  28.920 -20.494
  348   2H5*    C  33          2H5*        C  33  21.680  27.334 -21.052
  349    H4*    C  33           H4*        C  33  21.301  27.624 -18.531
  350    H3*    C  33           H3*        C  33  19.865  25.392 -19.983
  351    H2*    C  33           H2*        C  33  19.160  24.618 -17.835
  352   2HO*    C  33          2HO*        C  33  20.103  25.498 -15.928
  353    H1*    C  33           H1*        C  33  18.787  27.227 -16.834
  354   1H4     C  33          1H4         C  33  13.165  24.457 -18.314
  355   2H4     C  33          2H4         C  33  13.051  25.605 -19.625
  356    H5     C  33           H5         C  33  14.865  27.076 -20.254
  357    H6     C  33           H6         C  33  17.160  27.733 -19.763
  358   1H5*    C  34          1H5*        C  34  21.589  23.403 -16.822
  359   2H5*    C  34          2H5*        C  34  22.612  22.107 -17.493
  360    H4*    C  34           H4*        C  34  21.278  21.112 -15.777
  361    H3*    C  34           H3*        C  34  19.871  20.525 -18.404
  362    H2*    C  34           H2*        C  34  18.622  18.932 -17.097
  363   2HO*    C  34          2HO*        C  34  20.418  18.422 -15.610
  364    H1*    C  34           H1*        C  34  18.055  20.879 -15.250
  365   1H4     C  34          1H4         C  34  13.610  21.506 -19.828
  366   2H4     C  34          2H4         C  34  14.677  22.554 -20.737
  367    H5     C  34           H5         C  34  17.023  22.991 -20.052
  368    H6     C  34           H6         C  34  18.679  22.524 -18.399
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   4.754  16.132 -18.476
    2   2H5*    G   1          2H5*        G   1   6.049  16.666 -19.547
    3    H4*    G   1           H4*        G   1   6.366  14.720 -17.254
    4    H3*    G   1           H3*        G   1   7.064  17.658 -17.460
    5    H2*    G   1           H2*        G   1   8.960  17.252 -16.046
    6   2HO*    G   1          2HO*        G   1   7.897  14.604 -15.764
    7    H1*    G   1           H1*        G   1   9.736  14.994 -17.377
    8    H8     G   1           H8         G   1   8.490  17.035 -20.204
    9    H1     G   1           H1         G   1  13.967  19.380 -17.878
   10   1H2     G   1          1H2         G   1  14.437  18.463 -15.925
   11   2H2     G   1          2H2         G   1  13.396  17.266 -15.183
   12   1H5*    G   2          1H5*        G   2   7.513  16.839 -13.381
   13   2H5*    G   2          2H5*        G   2   6.406  17.908 -12.478
   14    H4*    G   2           H4*        G   2   8.554  17.996 -11.409
   15    H3*    G   2           H3*        G   2   8.090  20.461 -13.113
   16    H2*    G   2           H2*        G   2  10.131  21.347 -12.192
   17   2HO*    G   2          2HO*        G   2  11.288  20.094 -10.640
   18    H1*    G   2           H1*        G   2  11.533  19.109 -12.744
   19    H8     G   2           H8         G   2   8.850  19.291 -15.423
   20    H1     G   2           H1         G   2  13.720  23.302 -16.457
   21   1H2     G   2          1H2         G   2  15.013  23.426 -14.665
   22   2H2     G   2          2H2         G   2  14.683  22.503 -13.216
   23   1H5*    A   3          1H5*        A   3   8.488  22.280  -8.808
   24   2H5*    A   3          2H5*        A   3   7.924  23.951  -9.082
   25    H4*    A   3           H4*        A   3  10.413  23.442  -8.346
   26    H3*    A   3           H3*        A   3   9.683  25.463 -10.504
   27    H2*    A   3           H2*        A   3  12.098  26.028 -10.508
   28   2HO*    A   3          2HO*        A   3  13.444  24.776  -9.119
   29    H1*    A   3           H1*        A   3  12.788  23.499 -10.907
   30    H8     A   3           H8         A   3   9.556  23.014 -12.530
   31   1H6     A   3          1H6         A   3  11.376  26.436 -17.320
   32   2H6     A   3          2H6         A   3  10.184  25.305 -16.725
   33    H2     A   3           H2         A   3  14.264  27.119 -13.966
   34   1H5*    G   4          1H5*        G   4  12.267  27.718  -8.329
   35   2H5*    G   4          2H5*        G   4  11.488  29.252  -7.854
   36    H4*    G   4           H4*        G   4  13.670  29.572  -9.011
   37    H3*    G   4           H3*        G   4  11.202  30.596 -10.436
   38    H2*    G   4           H2*        G   4  12.650  31.567 -12.096
   39   2HO*    G   4          2HO*        G   4  14.910  31.452 -11.834
   40    H1*    G   4           H1*        G   4  14.066  29.280 -12.432
   41    H8     G   4           H8         G   4  10.760  27.817 -11.631
   42    H1     G   4           H1         G   4  10.814  30.601 -17.383
   43   1H2     G   4          1H2         G   4  12.612  31.873 -17.611
   44   2H2     G   4          2H2         G   4  13.804  32.023 -16.339
   45   1H5*    G   5          1H5*        G   5  13.723  33.732 -10.802
   46   2H5*    G   5          2H5*        G   5  12.980  35.190 -10.093
   47    H4*    G   5           H4*        G   5  13.901  35.613 -12.346
   48    H3*    G   5           H3*        G   5  10.872  35.673 -12.249
   49    H2*    G   5           H2*        G   5  10.973  36.547 -14.477
   50   2HO*    G   5          2HO*        G   5  13.018  37.142 -15.374
   51    H1*    G   5           H1*        G   5  13.088  34.834 -15.199
   52    H8     G   5           H8         G   5  10.613  32.657 -13.411
   53    H1     G   5           H1         G   5   8.578  34.262 -19.252
   54   1H2     G   5          1H2         G   5   9.827  35.867 -20.110
   55   2H2     G   5          2H2         G   5  11.174  36.567 -19.235
   56   1H5*    A   6          1H5*        A   6  11.914  39.294 -14.044
   57   2H5*    A   6          2H5*        A   6  11.138  40.591 -13.099
   58    H4*    A   6           H4*        A   6  10.665  41.038 -15.392
   59    H3*    A   6           H3*        A   6   8.263  39.646 -14.173
   60    H2*    A   6           H2*        A   6   7.117  40.161 -16.217
   61   2HO*    A   6          2HO*        A   6   8.148  41.469 -17.797
   62    H1*    A   6           H1*        A   6   9.280  39.437 -17.784
   63    H8     A   6           H8         A   6   8.937  36.993 -14.880
   64   1H6     A   6          1H6         A   6   4.689  34.067 -18.325
   65   2H6     A   6          2H6         A   6   5.667  33.989 -16.875
   66    H2     A   6           H2         A   6   5.729  37.950 -20.331
   67   1H5*    C   7          1H5*        C   7   7.063  43.430 -16.015
   68   2H5*    C   7          2H5*        C   7   5.660  44.069 -15.126
   69    H4*    C   7           H4*        C   7   5.413  43.731 -17.658
   70    H3*    C   7           H3*        C   7   3.417  42.521 -15.720
   71    H2*    C   7           H2*        C   7   2.196  41.677 -17.540
   72   2HO*    C   7          2HO*        C   7   2.568  42.459 -19.668
   73    H1*    C   7           H1*        C   7   4.406  41.194 -19.185
   74   1H4     C   7          1H4         C   7   2.246  35.599 -16.932
   75   2H4     C   7          2H4         C   7   3.336  35.733 -15.572
   76    H5     C   7           H5         C   7   4.675  37.727 -15.138
   77    H6     C   7           H6         C   7   5.232  39.944 -15.942
   78   1H5*    A   8          1H5*        A   8   1.115  44.693 -19.014
   79   2H5*    A   8          2H5*        A   8  -0.336  45.281 -18.162
   80    H4*    A   8           H4*        A   8  -0.643  43.754 -20.235
   81    H3*    A   8           H3*        A   8  -2.024  43.181 -17.614
   82    H2*    A   8           H2*        A   8  -3.148  41.362 -18.676
   83   2HO*    A   8          2HO*        A   8  -2.030  42.390 -21.103
   84    H1*    A   8           H1*        A   8  -0.933  40.477 -20.030
   85    H8     A   8           H8         A   8   0.316  41.536 -16.699
   86   1H6     A   8          1H6         A   8  -1.720  36.106 -14.509
   87   2H6     A   8          2H6         A   8  -0.742  37.512 -14.157
   88    H2     A   8           H2         A   8  -3.383  36.710 -18.637
   89   1H5*    U   9          1H5*        U   9  -4.791  43.108 -21.140
   90   2H5*    U   9          2H5*        U   9  -6.460  43.367 -20.568
   91    H4*    U   9           H4*        U   9  -5.496  41.043 -21.712
   92    H3*    U   9           H3*        U   9  -7.931  41.771 -20.246
   93    H2*    U   9           H2*        U   9  -7.825  39.977 -18.775
   94   2HO*    U   9          2HO*        U   9  -7.930  37.820 -19.789
   95    H1*    U   9           H1*        U   9  -5.672  38.619 -20.343
   96    H3     U   9           H3         U   9  -6.113  36.161 -16.363
   97    H5     U   9           H5         U   9  -3.785  39.578 -15.558
   98    H6     U   9           H6         U   9  -4.418  40.433 -17.711
   99   1H5*    C  10          1H5*        C  10  -9.767  40.392 -19.693
  100   2H5*    C  10          2H5*        C  10 -11.420  40.903 -20.098
  101    H4*    C  10           H4*        C  10 -11.303  42.803 -18.798
  102    H3*    C  10           H3*        C  10  -8.770  43.360 -19.751
  103    H2*    C  10           H2*        C  10  -7.739  41.689 -18.348
  104   2HO*    C  10          2HO*        C  10  -6.767  43.779 -17.950
  105    H1*    C  10           H1*        C  10  -9.496  42.735 -16.132
  106   1H4     C  10          1H4         C  10  -6.758  38.075 -12.795
  107   2H4     C  10          2H4         C  10  -7.196  36.895 -14.009
  108    H5     C  10           H5         C  10  -8.287  37.506 -16.118
  109    H6     C  10           H6         C  10  -9.156  39.336 -17.421
  110   1H5*    C  11          1H5*        C  11  -7.351  45.390 -15.343
  111   2H5*    C  11          2H5*        C  11  -8.679  44.502 -16.123
  112    H4*    C  11           H4*        C  11  -8.839  47.245 -14.873
  113    H3*    C  11           H3*        C  11  -9.041  44.858 -13.475
  114    H2*    C  11           H2*        C  11 -10.828  43.997 -14.759
  115   2HO*    C  11          2HO*        C  11 -12.107  45.547 -12.754
  116    H1*    C  11           H1*        C  11 -12.118  46.745 -14.769
  117   1H4     C  11          1H4         C  11 -15.524  44.631 -19.753
  118   2H4     C  11          2H4         C  11 -14.981  42.998 -19.449
  119    H5     C  11           H5         C  11 -13.306  42.451 -17.745
  120    H6     C  11           H6         C  11 -11.869  43.355 -16.033
  121   1H5*    C  12          1H5*        C  12  -9.820  43.788 -11.920
  122   2H5*    C  12          2H5*        C  12 -10.612  44.852 -10.728
  123    H4*    C  12           H4*        C  12 -10.224  42.932  -9.493
  124    H3*    C  12           H3*        C  12  -8.386  45.085  -8.825
  125    H2*    C  12           H2*        C  12  -6.562  43.811  -9.594
  126   2HO*    C  12          2HO*        C  12  -5.966  42.307  -7.658
  127    H1*    C  12           H1*        C  12  -8.196  41.408  -8.678
  128   1H4     C  12          1H4         C  12  -2.852  38.393 -10.753
  129   2H4     C  12          2H4         C  12  -3.420  38.638 -12.389
  130    H5     C  12           H5         C  12  -5.383  40.001 -12.920
  131    H6     C  12           H6         C  12  -7.159  41.361 -11.985
  132   1H5*    U  13          1H5*        U  13 -11.238  41.170  -6.349
  133   2H5*    U  13          2H5*        U  13  -9.877  41.622  -7.402
  134    H4*    U  13           H4*        U  13 -12.155  41.287  -9.036
  135    H3*    U  13           H3*        U  13 -12.679  39.629  -6.907
  136    H2*    U  13           H2*        U  13 -10.465  38.644  -7.043
  137   2HO*    U  13          2HO*        U  13 -10.781  36.528  -7.817
  138    H1*    U  13           H1*        U  13 -11.113  38.423  -9.950
  139    H3     U  13           H3         U  13  -6.189  38.199  -7.824
  140    H5     U  13           H5         U  13  -7.256  36.444 -11.482
  141    H6     U  13           H6         U  13  -9.498  37.338 -11.148
  142   1H5*    C  14          1H5*        C  14 -13.324  41.916 -10.442
  143   2H5*    C  14          2H5*        C  14 -14.693  42.130 -11.562
  144    H4*    C  14           H4*        C  14 -12.628  41.977 -12.832
  145    H3*    C  14           H3*        C  14 -14.271  39.439 -13.027
  146    H2*    C  14           H2*        C  14 -12.699  38.675 -14.675
  147   2HO*    C  14          2HO*        C  14 -11.059  40.080 -15.427
  148    H1*    C  14           H1*        C  14 -10.507  39.471 -13.210
  149   1H4     C  14          1H4         C  14 -11.519  33.414 -11.367
  150   2H4     C  14          2H4         C  14 -12.918  33.904 -10.429
  151    H5     C  14           H5         C  14 -13.759  36.235 -10.421
  152    H6     C  14           H6         C  14 -13.444  38.421 -11.244
  153   1H5*    A  15          1H5*        A  15 -13.848  40.507 -17.279
  154   2H5*    A  15          2H5*        A  15 -15.241  39.747 -18.094
  155    H4*    A  15           H4*        A  15 -12.779  38.952 -18.614
  156    H3*    A  15           H3*        A  15 -15.031  37.008 -18.046
  157    H2*    A  15           H2*        A  15 -13.492  35.254 -18.630
  158   2HO*    A  15          2HO*        A  15 -11.515  35.738 -19.628
  159    H1*    A  15           H1*        A  15 -11.342  36.540 -17.317
  160    H8     A  15           H8         A  15 -14.095  36.873 -14.916
  161   1H6     A  15          1H6         A  15 -13.406  30.903 -13.437
  162   2H6     A  15          2H6         A  15 -14.161  32.416 -12.983
  163    H2     A  15           H2         A  15 -11.053  31.727 -17.167
  164   1H5*    C  16          1H5*        C  16 -13.925  35.805 -22.067
  165   2H5*    C  16          2H5*        C  16 -15.443  35.474 -22.948
  166    H4*    C  16           H4*        C  16 -13.800  33.563 -22.888
  167    H3*    C  16           H3*        C  16 -16.504  33.134 -21.593
  168    H2*    C  16           H2*        C  16 -15.899  30.836 -21.319
  169   2HO*    C  16          2HO*        C  16 -13.965  30.043 -22.290
  170    H1*    C  16           H1*        C  16 -13.282  31.443 -20.560
  171   1H4     C  16          1H4         C  16 -16.252  30.695 -14.997
  172   2H4     C  16          2H4         C  16 -17.287  32.075 -15.293
  173    H5     C  16           H5         C  16 -17.220  33.363 -17.374
  174    H6     C  16           H6         C  16 -16.143  33.565 -19.536
  175   1H5*    G  17          1H5*        G  17 -16.248  30.078 -24.773
  176   2H5*    G  17          2H5*        G  17 -17.903  29.739 -25.342
  177    H4*    G  17           H4*        G  17 -16.543  27.766 -24.431
  178    H3*    G  17           H3*        G  17 -19.235  28.424 -23.209
  179    H2*    G  17           H2*        G  17 -19.039  26.393 -21.951
  180   2HO*    G  17          2HO*        G  17 -17.271  24.964 -22.385
  181    H1*    G  17           H1*        G  17 -16.356  26.821 -21.363
  182    H8     G  17           H8         G  17 -18.051  30.168 -21.043
  183    H1     G  17           H1         G  17 -19.300  26.286 -16.127
  184   1H2     G  17          1H2         G  17 -18.658  24.217 -16.587
  185   2H2     G  17          2H2         G  17 -17.906  23.799 -18.109
  186   1H5*    G  18          1H5*        G  18 -19.553  24.224 -24.386
  187   2H5*    G  18          2H5*        G  18 -21.075  24.123 -25.312
  188    H4*    G  18           H4*        G  18 -21.017  22.358 -23.647
  189    H3*    G  18           H3*        G  18 -22.902  24.597 -22.872
  190    H2*    G  18           H2*        G  18 -23.620  23.219 -21.052
  191   2HO*    G  18          2HO*        G  18 -22.872  21.056 -20.890
  192    H1*    G  18           H1*        G  18 -21.050  22.449 -20.389
  193    H8     G  18           H8         G  18 -21.224  26.119 -21.489
  194    H1     G  18           H1         G  18 -22.747  25.182 -15.343
  195   1H2     G  18          1H2         G  18 -22.936  23.024 -14.910
  196   2H2     G  18          2H2         G  18 -22.678  21.803 -16.138
  197   1H5*    G  19          1H5*        G  19 -25.266  21.093 -22.713
  198   2H5*    G  19          2H5*        G  19 -26.948  21.462 -23.175
  199    H4*    G  19           H4*        G  19 -26.566  20.493 -20.836
  200    H3*    G  19           H3*        G  19 -27.995  23.149 -21.137
  201    H2*    G  19           H2*        G  19 -28.445  23.053 -18.786
  202   2HO*    G  19          2HO*        G  19 -28.227  21.174 -17.629
  203    H1*    G  19           H1*        G  19 -25.899  22.060 -18.164
  204    H8     G  19           H8         G  19 -25.410  24.827 -20.680
  205    H1     G  19           H1         G  19 -26.720  27.040 -14.822
  206   1H2     G  19          1H2         G  19 -27.419  25.404 -13.521
  207   2H2     G  19          2H2         G  19 -27.559  23.755 -14.087
  208   1H5*    U  20          1H5*        U  20 -30.286  24.274 -19.802
  209   2H5*    U  20          2H5*        U  20 -30.325  22.501 -19.659
  210    H4*    U  20           H4*        U  20 -32.806  23.876 -20.576
  211    H3*    U  20           H3*        U  20 -31.775  23.968 -17.739
  212    H2*    U  20           H2*        U  20 -33.970  23.580 -16.929
  213   2HO*    U  20          2HO*        U  20 -35.781  23.797 -18.282
  214    H1*    U  20           H1*        U  20 -34.676  21.787 -18.972
  215    H3     U  20           H3         U  20 -34.246  20.205 -14.474
  216    H5     U  20           H5         U  20 -31.083  18.738 -16.836
  217    H6     U  20           H6         U  20 -31.724  20.326 -18.565
  218   1H5*    G  21          1H5*        G  21 -31.863  27.668 -14.795
  219   2H5*    G  21          2H5*        G  21 -30.501  26.703 -15.427
  220    H4*    G  21           H4*        G  21 -32.683  25.906 -13.512
  221    H3*    G  21           H3*        G  21 -29.680  25.565 -13.577
  222    H2*    G  21           H2*        G  21 -29.918  23.696 -12.123
  223   2HO*    G  21          2HO*        G  21 -31.975  23.290 -11.115
  224    H1*    G  21           H1*        G  21 -32.326  22.834 -13.309
  225    H8     G  21           H8         G  21 -29.755  23.603 -15.966
  226    H1     G  21           H1         G  21 -29.024  17.828 -13.323
  227   1H2     G  21          1H2         G  21 -30.321  17.629 -11.541
  228   2H2     G  21          2H2         G  21 -31.362  18.924 -10.999
  229   1H5*    A  22          1H5*        A  22 -30.852  26.163  -9.551
  230   2H5*    A  22          2H5*        A  22 -29.671  26.906  -8.436
  231    H4*    A  22           H4*        A  22 -30.330  24.645  -7.696
  232    H3*    A  22           H3*        A  22 -27.489  24.937  -8.681
  233    H2*    A  22           H2*        A  22 -27.077  22.662  -8.062
  234   2HO*    A  22          2HO*        A  22 -28.216  22.666  -6.056
  235    H1*    A  22           H1*        A  22 -29.530  21.753  -9.003
  236    H8     A  22           H8         A  22 -27.666  24.366 -11.159
  237   1H6     A  22          1H6         A  22 -25.263  19.518 -14.140
  238   2H6     A  22          2H6         A  22 -25.382  21.262 -14.098
  239    H2     A  22           H2         A  22 -27.664  18.002 -10.676
  240   1H5*    C  23          1H5*        C  23 -23.818  25.448  -6.288
  241   2H5*    C  23          2H5*        C  23 -23.739  26.322  -7.842
  242    H4*    C  23           H4*        C  23 -24.189  23.382  -7.339
  243    H3*    C  23           H3*        C  23 -22.224  24.985  -8.971
  244    H2*    C  23           H2*        C  23 -22.081  23.220 -10.568
  245   2HO*    C  23          2HO*        C  23 -23.064  21.211 -10.172
  246    H1*    C  23           H1*        C  23 -24.740  22.787 -10.735
  247   1H4     C  23          1H4         C  23 -23.420  27.348 -15.027
  248   2H4     C  23          2H4         C  23 -23.871  28.560 -13.853
  249    H5     C  23           H5         C  23 -24.400  28.029 -11.527
  250    H6     C  23           H6         C  23 -24.607  26.244  -9.910
  251   1H5*    C  24          1H5*        C  24 -20.597  21.182  -8.834
  252   2H5*    C  24          2H5*        C  24 -18.825  21.198  -8.631
  253    H4*    C  24           H4*        C  24 -19.583  20.009 -10.693
  254    H3*    C  24           H3*        C  24 -17.959  22.534 -11.109
  255    H2*    C  24           H2*        C  24 -17.919  22.007 -13.451
  256   2HO*    C  24          2HO*        C  24 -18.751  20.032 -14.199
  257    H1*    C  24           H1*        C  24 -20.598  21.423 -13.545
  258   1H4     C  24          1H4         C  24 -20.009  27.665 -14.849
  259   2H4     C  24          2H4         C  24 -20.316  28.026 -13.168
  260    H5     C  24           H5         C  24 -20.497  26.297 -11.446
  261    H6     C  24           H6         C  24 -20.414  23.925 -11.032
  262   1H5*    G  25          1H5*        G  25 -15.987  19.851 -13.496
  263   2H5*    G  25          2H5*        G  25 -14.247  19.848 -13.108
  264    H4*    G  25           H4*        G  25 -14.709  20.156 -15.534
  265    H3*    G  25           H3*        G  25 -13.462  22.526 -14.119
  266    H2*    G  25           H2*        G  25 -13.211  23.543 -16.279
  267   2HO*    G  25          2HO*        G  25 -13.775  22.345 -18.164
  268    H1*    G  25           H1*        G  25 -15.760  22.876 -17.074
  269    H8     G  25           H8         G  25 -15.990  23.705 -13.404
  270    H1     G  25           H1         G  25 -15.523  28.913 -17.082
  271   1H2     G  25          1H2         G  25 -14.956  28.360 -19.141
  272   2H2     G  25          2H2         G  25 -14.709  26.694 -19.623
  273   1H5*    U  26          1H5*        U  26 -11.112  22.049 -17.347
  274   2H5*    U  26          2H5*        U  26  -9.378  22.150 -16.943
  275    H4*    U  26           H4*        U  26 -10.118  23.760 -18.716
  276    H3*    U  26           H3*        U  26  -9.124  24.973 -16.125
  277    H2*    U  26           H2*        U  26  -9.224  27.102 -17.218
  278   2HO*    U  26          2HO*        U  26  -9.639  27.206 -19.478
  279    H1*    U  26           H1*        U  26 -11.627  26.505 -18.520
  280    H3     U  26           H3         U  26 -12.353  29.921 -15.546
  281    H5     U  26           H5         U  26 -12.681  26.376 -13.293
  282    H6     U  26           H6         U  26 -11.848  25.155 -15.210
  283   1H5*    G  27          1H5*        G  27  -7.138  26.682 -19.309
  284   2H5*    G  27          2H5*        G  27  -5.396  26.889 -19.006
  285    H4*    G  27           H4*        G  27  -6.875  28.926 -19.737
  286    H3*    G  27           H3*        G  27  -4.526  28.777 -18.000
  287    H2*    G  27           H2*        G  27  -5.538  29.879 -16.223
  288   2HO*    G  27          2HO*        G  27  -5.698  32.172 -16.473
  289    H1*    G  27           H1*        G  27  -7.649  31.074 -18.040
  290    H8     G  27           H8         G  27  -8.140  28.487 -15.249
  291    H1     G  27           H1         G  27 -10.051  34.380 -13.634
  292   1H2     G  27          1H2         G  27  -9.441  35.841 -15.170
  293   2H2     G  27          2H2         G  27  -8.567  35.373 -16.614
  294   1H5*    G  28          1H5*        G  28  -5.530  31.512 -22.209
  295   2H5*    G  28          2H5*        G  28  -4.698  30.446 -23.375
  296    H4*    G  28           H4*        G  28  -4.549  32.662 -24.240
  297    H3*    G  28           H3*        G  28  -1.965  31.826 -22.901
  298    H2*    G  28           H2*        G  28  -0.980  33.922 -23.498
  299   2HO*    G  28          2HO*        G  28  -2.151  35.391 -24.829
  300    H1*    G  28           H1*        G  28  -3.122  35.414 -22.722
  301    H8     G  28           H8         G  28  -3.027  32.538 -20.279
  302    H1     G  28           H1         G  28   1.383  36.987 -19.050
  303   1H2     G  28          1H2         G  28   1.527  38.423 -20.719
  304   2H2     G  28          2H2         G  28   0.538  38.281 -22.158
  305   1H5*    U  29          1H5*        U  29  -0.583  33.725 -26.247
  306   2H5*    U  29          2H5*        U  29   0.355  32.555 -27.211
  307    H4*    U  29           H4*        U  29   1.641  34.590 -26.979
  308    H3*    U  29           H3*        U  29   2.677  32.388 -25.174
  309    H2*    U  29           H2*        U  29   4.505  33.815 -24.628
  310   2HO*    U  29          2HO*        U  29   4.780  35.807 -25.756
  311    H1*    U  29           H1*        U  29   2.934  36.077 -24.391
  312    H3     U  29           H3         U  29   4.322  35.069 -20.179
  313    H5     U  29           H5         U  29   1.170  32.375 -20.921
  314    H6     U  29           H6         U  29   1.139  33.145 -23.217
  315   1H5*    C  30          1H5*        C  30   6.122  33.511 -28.104
  316   2H5*    C  30          2H5*        C  30   7.222  32.106 -28.038
  317    H4*    C  30           H4*        C  30   8.153  34.435 -27.393
  318    H3*    C  30           H3*        C  30   8.461  32.066 -25.528
  319    H2*    C  30           H2*        C  30   9.861  33.462 -24.166
  320   2HO*    C  30          2HO*        C  30   9.655  35.363 -26.300
  321    H1*    C  30           H1*        C  30   8.169  35.655 -24.382
  322   1H4     C  30          1H4         C  30   6.516  32.589 -19.008
  323   2H4     C  30          2H4         C  30   5.387  31.613 -19.916
  324    H5     C  30           H5         C  30   5.222  31.698 -22.358
  325    H6     C  30           H6         C  30   6.109  32.722 -24.347
  326   1H5*    C  31          1H5*        C  31  12.453  33.528 -26.162
  327   2H5*    C  31          2H5*        C  31  13.618  32.201 -25.906
  328    H4*    C  31           H4*        C  31  13.611  34.294 -24.312
  329    H3*    C  31           H3*        C  31  13.691  31.451 -23.274
  330    H2*    C  31           H2*        C  31  13.983  32.380 -21.088
  331   2HO*    C  31          2HO*        C  31  14.397  34.633 -20.844
  332    H1*    C  31           H1*        C  31  12.186  34.506 -21.584
  333   1H4     C  31          1H4         C  31   9.214  29.888 -18.173
  334   2H4     C  31          2H4         C  31   8.409  29.415 -19.649
  335    H5     C  31           H5         C  31   8.973  30.353 -21.838
  336    H6     C  31           H6         C  31  10.409  31.903 -23.002
  337   1H5*    U  32          1H5*        U  32  16.850  33.161 -21.284
  338   2H5*    U  32          2H5*        U  32  18.329  32.219 -21.614
  339    H4*    U  32           H4*        U  32  18.039  32.609 -19.208
  340    H3*    U  32           H3*        U  32  17.595  29.740 -20.071
  341    H2*    U  32           H2*        U  32  17.427  29.154 -17.759
  342   2HO*    U  32          2HO*        U  32  17.968  30.648 -16.143
  343    H1*    U  32           H1*        U  32  15.890  31.375 -17.117
  344    H3     U  32           H3         U  32  13.453  27.445 -16.845
  345    H5     U  32           H5         U  32  12.914  28.913 -20.750
  346    H6     U  32           H6         U  32  14.673  30.525 -20.318
  347   1H5*    C  33          1H5*        C  33  19.965  29.109 -16.950
  348   2H5*    C  33          2H5*        C  33  21.464  28.309 -17.495
  349    H4*    C  33           H4*        C  33  20.609  27.071 -15.625
  350    H3*    C  33           H3*        C  33  19.951  25.673 -18.226
  351    H2*    C  33           H2*        C  33  19.080  23.867 -16.951
  352   2HO*    C  33          2HO*        C  33  19.466  23.761 -14.689
  353    H1*    C  33           H1*        C  33  17.994  25.510 -14.969
  354   1H4     C  33          1H4         C  33  12.839  24.401 -18.547
  355   2H4     C  33          2H4         C  33  13.787  24.382 -20.015
  356    H5     C  33           H5         C  33  16.209  24.797 -20.046
  357    H6     C  33           H6         C  33  18.122  25.313 -18.680
  358   1H5*    C  34          1H5*        C  34  22.053  23.093 -15.385
  359   2H5*    C  34          2H5*        C  34  22.887  21.753 -16.215
  360    H4*    C  34           H4*        C  34  21.063  21.240 -14.404
  361    H3*    C  34           H3*        C  34  21.107  19.897 -17.116
  362    H2*    C  34           H2*        C  34  19.285  18.546 -16.416
  363   2HO*    C  34          2HO*        C  34  20.013  17.990 -14.330
  364    H1*    C  34           H1*        C  34  18.057  20.619 -14.928
  365   1H4     C  34          1H4         C  34  14.708  20.118 -20.340
  366   2H4     C  34          2H4         C  34  15.898  21.081 -21.186
  367    H5     C  34           H5         C  34  18.002  21.817 -20.142
  368    H6     C  34           H6         C  34  19.302  21.783 -18.121
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   5.493  21.971 -12.407
    2   2H5*    G   1          2H5*        G   1   6.814  21.757 -13.557
    3    H4*    G   1           H4*        G   1   4.092  20.444 -13.777
    4    H3*    G   1           H3*        G   1   6.751  19.313 -12.842
    5    H2*    G   1           H2*        G   1   6.231  17.280 -13.944
    6   2HO*    G   1          2HO*        G   1   4.073  16.692 -14.357
    7    H1*    G   1           H1*        G   1   4.466  18.559 -15.851
    8    H8     G   1           H8         G   1   5.442  17.627 -18.061
    9    H1     G   1           H1         G   1  11.484  17.979 -16.005
   10   1H2     G   1          1H2         G   1  11.575  18.797 -13.965
   11   2H2     G   1          2H2         G   1  10.136  19.269 -13.084
   12   1H5*    G   2          1H5*        G   2   7.471  18.410  -9.880
   13   2H5*    G   2          2H5*        G   2   7.124  19.539  -8.541
   14    H4*    G   2           H4*        G   2   9.515  19.358  -8.796
   15    H3*    G   2           H3*        G   2   8.461  21.954  -9.955
   16    H2*    G   2           H2*        G   2  10.725  22.613 -10.322
   17   2HO*    G   2          2HO*        G   2  12.442  21.378  -9.473
   18    H1*    G   2           H1*        G   2  11.503  20.128 -11.257
   19    H8     G   2           H8         G   2   8.087  20.729 -12.740
   20    H1     G   2           H1         G   2  12.629  24.178 -15.608
   21   1H2     G   2          1H2         G   2  14.497  24.146 -14.441
   22   2H2     G   2          2H2         G   2  14.647  23.252 -12.944
   23   1H5*    A   3          1H5*        A   3  11.417  23.499  -7.550
   24   2H5*    A   3          2H5*        A   3  10.874  25.056  -6.868
   25    H4*    A   3           H4*        A   3  12.899  25.078  -8.472
   26    H3*    A   3           H3*        A   3  10.493  26.825  -9.042
   27    H2*    A   3           H2*        A   3  11.712  27.782 -10.811
   28   2HO*    A   3          2HO*        A   3  14.010  27.380 -11.003
   29    H1*    A   3           H1*        A   3  13.027  25.330 -11.465
   30    H8     A   3           H8         A   3   9.328  24.744 -11.302
   31   1H6     A   3          1H6         A   3   9.082  27.124 -17.046
   32   2H6     A   3          2H6         A   3   8.178  26.258 -15.820
   33    H2     A   3           H2         A   3  13.146  27.905 -15.344
   34   1H5*    G   4          1H5*        G   4  14.096  29.517  -8.735
   35   2H5*    G   4          2H5*        G   4  13.452  31.044  -8.078
   36    H4*    G   4           H4*        G   4  14.781  31.305 -10.188
   37    H3*    G   4           H3*        G   4  11.846  32.026 -10.427
   38    H2*    G   4           H2*        G   4  12.437  32.970 -12.555
   39   2HO*    G   4          2HO*        G   4  14.655  33.133 -13.149
   40    H1*    G   4           H1*        G   4  14.187  30.837 -13.140
   41    H8     G   4           H8         G   4  10.985  29.405 -11.760
   42    H1     G   4           H1         G   4  10.472  31.347 -17.842
   43   1H2     G   4          1H2         G   4  12.253  32.538 -18.409
   44   2H2     G   4          2H2         G   4  13.557  32.846 -17.289
   45   1H5*    G   5          1H5*        G   5  14.376  35.485 -11.410
   46   2H5*    G   5          2H5*        G   5  13.508  36.967 -10.928
   47    H4*    G   5           H4*        G   5  14.355  36.886 -13.328
   48    H3*    G   5           H3*        G   5  11.369  37.205 -12.920
   49    H2*    G   5           H2*        G   5  11.262  37.661 -15.269
   50   2HO*    G   5          2HO*        G   5  13.221  37.962 -16.460
   51    H1*    G   5           H1*        G   5  13.242  35.725 -15.862
   52    H8     G   5           H8         G   5  10.808  33.980 -13.615
   53    H1     G   5           H1         G   5   8.374  34.922 -19.457
   54   1H2     G   5          1H2         G   5   9.615  36.346 -20.605
   55   2H2     G   5          2H2         G   5  11.057  37.075 -19.932
   56   1H5*    A   6          1H5*        A   6  12.645  40.527 -15.396
   57   2H5*    A   6          2H5*        A   6  11.925  41.975 -14.648
   58    H4*    A   6           H4*        A   6  11.497  41.986 -17.039
   59    H3*    A   6           H3*        A   6   9.015  41.270 -15.452
   60    H2*    A   6           H2*        A   6   7.798  41.435 -17.512
   61   2HO*    A   6          2HO*        A   6   8.901  42.185 -19.409
   62    H1*    A   6           H1*        A   6   9.768  40.128 -18.972
   63    H8     A   6           H8         A   6   9.338  38.374 -15.629
   64   1H6     A   6          1H6         A   6   4.536  35.417 -18.208
   65   2H6     A   6          2H6         A   6   5.600  35.491 -16.821
   66    H2     A   6           H2         A   6   5.865  38.681 -20.993
   67   1H5*    C   7          1H5*        C   7   8.241  44.645 -18.105
   68   2H5*    C   7          2H5*        C   7   7.092  45.752 -17.313
   69    H4*    C   7           H4*        C   7   6.469  44.980 -19.648
   70    H3*    C   7           H3*        C   7   4.563  44.452 -17.350
   71    H2*    C   7           H2*        C   7   3.016  43.534 -18.882
   72   2HO*    C   7          2HO*        C   7   3.316  43.811 -21.149
   73    H1*    C   7           H1*        C   7   4.944  42.319 -20.505
   74   1H4     C   7          1H4         C   7   2.525  37.680 -16.847
   75   2H4     C   7          2H4         C   7   3.640  38.096 -15.566
   76    H5     C   7           H5         C   7   5.119  40.033 -15.671
   77    H6     C   7           H6         C   7   5.822  41.906 -17.032
   78   1H5*    A   8          1H5*        A   8   0.215  47.206 -18.298
   79   2H5*    A   8          2H5*        A   8   0.564  45.848 -17.194
   80    H4*    A   8           H4*        A   8  -0.539  45.770 -19.994
   81    H3*    A   8           H3*        A   8  -1.430  44.670 -17.337
   82    H2*    A   8           H2*        A   8  -2.514  42.864 -18.442
   83   2HO*    A   8          2HO*        A   8  -2.148  44.501 -20.747
   84    H1*    A   8           H1*        A   8  -0.520  42.481 -20.314
   85    H8     A   8           H8         A   8   1.404  43.100 -17.266
   86   1H6     A   8          1H6         A   8   0.053  37.315 -15.463
   87   2H6     A   8          2H6         A   8   1.067  38.706 -15.158
   88    H2     A   8           H2         A   8  -2.575  38.394 -18.934
   89   1H5*    U   9          1H5*        U   9  -5.233  46.046 -19.003
   90   2H5*    U   9          2H5*        U   9  -6.526  46.359 -17.811
   91    H4*    U   9           H4*        U   9  -6.664  44.183 -19.196
   92    H3*    U   9           H3*        U   9  -7.619  44.628 -16.606
   93    H2*    U   9           H2*        U   9  -5.977  43.341 -15.514
   94   2HO*    U   9          2HO*        U   9  -7.955  42.142 -15.328
   95    H1*    U   9           H1*        U   9  -5.751  41.473 -17.860
   96    H3     U   9           H3         U   9  -2.634  39.206 -15.579
   97    H5     U   9           H5         U   9  -1.453  43.194 -15.141
   98    H6     U   9           H6         U   9  -3.489  43.859 -16.284
   99   1H5*    C  10          1H5*        C  10 -11.716  41.399 -18.504
  100   2H5*    C  10          2H5*        C  10 -10.292  41.680 -17.475
  101    H4*    C  10           H4*        C  10 -10.685  39.800 -19.663
  102    H3*    C  10           H3*        C  10  -9.225  39.835 -17.163
  103    H2*    C  10           H2*        C  10  -7.208  40.505 -18.199
  104   2HO*    C  10          2HO*        C  10  -5.963  38.760 -18.776
  105    H1*    C  10           H1*        C  10  -8.198  39.136 -20.700
  106   1H4     C  10          1H4         C  10  -3.224  41.920 -23.536
  107   2H4     C  10          2H4         C  10  -3.311  43.304 -22.472
  108    H5     C  10           H5         C  10  -4.965  43.493 -20.661
  109    H6     C  10           H6         C  10  -6.823  42.380 -19.582
  110   1H5*    C  11          1H5*        C  11  -7.690  36.488 -15.165
  111   2H5*    C  11          2H5*        C  11  -8.760  37.278 -13.976
  112    H4*    C  11           H4*        C  11  -6.464  38.645 -15.396
  113    H3*    C  11           H3*        C  11  -6.547  37.189 -12.778
  114    H2*    C  11           H2*        C  11  -6.082  39.119 -11.586
  115   2HO*    C  11          2HO*        C  11  -4.230  40.262 -11.939
  116    H1*    C  11           H1*        C  11  -6.029  40.846 -14.072
  117   1H4     C  11          1H4         C  11  -8.699  44.142  -9.061
  118   2H4     C  11          2H4         C  11  -9.976  44.370 -10.232
  119    H5     C  11           H5         C  11 -10.029  43.198 -12.390
  120    H6     C  11           H6         C  11  -8.862  41.614 -13.795
  121   1H5*    C  12          1H5*        C  12  -5.275  37.423 -11.022
  122   2H5*    C  12          2H5*        C  12  -4.136  36.242 -10.324
  123    H4*    C  12           H4*        C  12  -5.888  34.815  -9.634
  124    H3*    C  12           H3*        C  12  -7.384  35.410 -11.831
  125    H2*    C  12           H2*        C  12  -7.681  37.692 -11.062
  126   2HO*    C  12          2HO*        C  12  -9.702  36.648 -11.664
  127    H1*    C  12           H1*        C  12  -8.465  36.381  -8.423
  128   1H4     C  12          1H4         C  12  -7.764  42.438  -6.131
  129   2H4     C  12          2H4         C  12  -8.911  42.867  -7.378
  130    H5     C  12           H5         C  12  -9.633  41.297  -9.117
  131    H6     C  12           H6         C  12  -9.389  39.050  -9.961
  132   1H5*    U  13          1H5*        U  13 -10.197  35.707  -8.850
  133   2H5*    U  13          2H5*        U  13 -11.395  34.400  -8.718
  134    H4*    U  13           H4*        U  13 -12.711  36.256 -10.265
  135    H3*    U  13           H3*        U  13 -10.937  38.003  -9.597
  136    H2*    U  13           H2*        U  13 -10.558  37.291  -7.390
  137   2HO*    U  13          2HO*        U  13 -11.399  38.789  -5.985
  138    H1*    U  13           H1*        U  13 -13.392  37.031  -6.535
  139    H3     U  13           H3         U  13  -9.633  34.775  -4.178
  140    H5     U  13           H5         U  13 -12.459  32.180  -5.924
  141    H6     U  13           H6         U  13 -13.345  34.053  -7.111
  142   1H5*    C  14          1H5*        C  14 -15.275  39.547 -12.243
  143   2H5*    C  14          2H5*        C  14 -14.378  38.343 -11.281
  144    H4*    C  14           H4*        C  14 -12.932  40.134 -13.220
  145    H3*    C  14           H3*        C  14 -14.337  37.535 -13.906
  146    H2*    C  14           H2*        C  14 -12.597  37.180 -15.538
  147   2HO*    C  14          2HO*        C  14 -11.589  39.726 -14.694
  148    H1*    C  14           H1*        C  14 -10.626  37.683 -13.713
  149   1H4     C  14          1H4         C  14 -12.022  31.488 -12.971
  150   2H4     C  14          2H4         C  14 -13.360  31.885 -11.919
  151    H5     C  14           H5         C  14 -14.061  34.198 -11.488
  152    H6     C  14           H6         C  14 -13.628  36.502 -11.971
  153   1H5*    A  15          1H5*        A  15 -14.220  39.287 -18.142
  154   2H5*    A  15          2H5*        A  15 -15.638  38.496 -18.885
  155    H4*    A  15           H4*        A  15 -13.207  38.005 -19.777
  156    H3*    A  15           H3*        A  15 -15.284  35.865 -19.255
  157    H2*    A  15           H2*        A  15 -13.727  34.230 -20.090
  158   2HO*    A  15          2HO*        A  15 -11.741  34.939 -21.032
  159    H1*    A  15           H1*        A  15 -11.569  35.320 -18.739
  160    H8     A  15           H8         A  15 -14.298  35.728 -16.301
  161   1H6     A  15          1H6         A  15 -13.936  29.677 -15.074
  162   2H6     A  15          2H6         A  15 -14.609  31.204 -14.555
  163    H2     A  15           H2         A  15 -11.515  30.528 -18.755
  164   1H5*    C  16          1H5*        C  16 -14.112  34.855 -23.171
  165   2H5*    C  16          2H5*        C  16 -15.587  34.597 -24.145
  166    H4*    C  16           H4*        C  16 -14.026  32.657 -24.188
  167    H3*    C  16           H3*        C  16 -16.692  32.176 -22.833
  168    H2*    C  16           H2*        C  16 -16.095  29.858 -22.706
  169   2HO*    C  16          2HO*        C  16 -14.185  29.117 -23.745
  170    H1*    C  16           H1*        C  16 -13.494  30.405 -21.908
  171   1H4     C  16          1H4         C  16 -16.568  29.603 -16.402
  172   2H4     C  16          2H4         C  16 -17.500  31.062 -16.646
  173    H5     C  16           H5         C  16 -17.337  32.419 -18.676
  174    H6     C  16           H6         C  16 -16.231  32.632 -20.820
  175   1H5*    G  17          1H5*        G  17 -16.817  29.135 -26.130
  176   2H5*    G  17          2H5*        G  17 -18.558  28.877 -26.418
  177    H4*    G  17           H4*        G  17 -17.160  26.865 -25.629
  178    H3*    G  17           H3*        G  17 -19.629  27.703 -24.088
  179    H2*    G  17           H2*        G  17 -19.352  25.708 -22.782
  180   2HO*    G  17          2HO*        G  17 -17.739  24.183 -23.364
  181    H1*    G  17           H1*        G  17 -16.627  26.064 -22.513
  182    H8     G  17           H8         G  17 -18.188  29.495 -22.282
  183    H1     G  17           H1         G  17 -18.918  26.062 -16.946
  184   1H2     G  17          1H2         G  17 -18.372  23.945 -17.305
  185   2H2     G  17          2H2         G  17 -17.809  23.387 -18.863
  186   1H5*    G  18          1H5*        G  18 -20.199  23.499 -24.821
  187   2H5*    G  18          2H5*        G  18 -21.828  23.352 -25.534
  188    H4*    G  18           H4*        G  18 -21.564  21.758 -23.710
  189    H3*    G  18           H3*        G  18 -23.352  24.090 -22.968
  190    H2*    G  18           H2*        G  18 -23.852  22.923 -20.945
  191   2HO*    G  18          2HO*        G  18 -23.015  20.762 -20.660
  192    H1*    G  18           H1*        G  18 -21.223  22.134 -20.532
  193    H8     G  18           H8         G  18 -21.274  25.704 -21.817
  194    H1     G  18           H1         G  18 -22.604  25.239 -15.575
  195   1H2     G  18          1H2         G  18 -22.917  23.126 -15.010
  196   2H2     G  18          2H2         G  18 -22.805  21.824 -16.176
  197   1H5*    G  19          1H5*        G  19 -25.685  20.789 -21.994
  198   2H5*    G  19          2H5*        G  19 -27.390  21.108 -22.411
  199    H4*    G  19           H4*        G  19 -26.892  20.575 -19.962
  200    H3*    G  19           H3*        G  19 -28.217  23.218 -20.647
  201    H2*    G  19           H2*        G  19 -28.502  23.562 -18.303
  202   2HO*    G  19          2HO*        G  19 -28.449  21.910 -16.868
  203    H1*    G  19           H1*        G  19 -25.993  22.455 -17.662
  204    H8     G  19           H8         G  19 -25.417  24.807 -20.535
  205    H1     G  19           H1         G  19 -26.352  27.895 -15.015
  206   1H2     G  19          1H2         G  19 -27.098  26.505 -13.476
  207   2H2     G  19          2H2         G  19 -27.373  24.809 -13.802
  208   1H5*    U  20          1H5*        U  20 -32.956  23.550 -21.114
  209   2H5*    U  20          2H5*        U  20 -31.722  24.837 -21.154
  210    H4*    U  20           H4*        U  20 -33.453  25.599 -19.712
  211    H3*    U  20           H3*        U  20 -31.122  24.521 -18.114
  212    H2*    U  20           H2*        U  20 -32.261  25.038 -16.112
  213   2HO*    U  20          2HO*        U  20 -34.102  26.433 -16.139
  214    H1*    U  20           H1*        U  20 -34.834  24.503 -17.089
  215    H3     U  20           H3         U  20 -34.546  21.430 -13.800
  216    H5     U  20           H5         U  20 -31.600  20.190 -16.539
  217    H6     U  20           H6         U  20 -32.052  22.186 -17.833
  218   1H5*    G  21          1H5*        G  21 -32.003  28.002 -15.931
  219   2H5*    G  21          2H5*        G  21 -30.445  28.643 -15.351
  220    H4*    G  21           H4*        G  21 -32.134  27.806 -13.590
  221    H3*    G  21           H3*        G  21 -29.274  26.864 -13.681
  222    H2*    G  21           H2*        G  21 -29.642  25.463 -11.799
  223   2HO*    G  21          2HO*        G  21 -31.541  25.677 -10.542
  224    H1*    G  21           H1*        G  21 -32.192  24.669 -12.530
  225    H8     G  21           H8         G  21 -29.867  24.673 -15.551
  226    H1     G  21           H1         G  21 -29.493  19.369 -12.006
  227   1H2     G  21          1H2         G  21 -30.620  19.623 -10.119
  228   2H2     G  21          2H2         G  21 -31.463  21.103  -9.731
  229   1H5*    A  22          1H5*        A  22 -30.185  27.973  -9.622
  230   2H5*    A  22          2H5*        A  22 -28.782  28.782  -8.867
  231    H4*    A  22           H4*        A  22 -29.566  26.822  -7.560
  232    H3*    A  22           H3*        A  22 -26.833  26.635  -8.839
  233    H2*    A  22           H2*        A  22 -26.508  24.498  -7.845
  234   2HO*    A  22          2HO*        A  22 -27.456  25.057  -5.777
  235    H1*    A  22           H1*        A  22 -29.070  23.605  -8.338
  236    H8     A  22           H8         A  22 -27.349  25.691 -11.112
  237   1H6     A  22          1H6         A  22 -25.609  20.258 -13.473
  238   2H6     A  22          2H6         A  22 -25.634  21.990 -13.721
  239    H2     A  22           H2         A  22 -27.622  19.509  -9.546
  240   1H5*    C  23          1H5*        C  23 -22.817  26.045  -6.694
  241   2H5*    C  23          2H5*        C  23 -23.456  26.830  -8.162
  242    H4*    C  23           H4*        C  23 -23.651  23.870  -7.547
  243    H3*    C  23           H3*        C  23 -21.714  25.403  -9.284
  244    H2*    C  23           H2*        C  23 -21.727  23.611 -10.864
  245   2HO*    C  23          2HO*        C  23 -22.802  21.664 -10.396
  246    H1*    C  23           H1*        C  23 -24.411  23.317 -10.887
  247   1H4     C  23          1H4         C  23 -23.044  27.731 -15.314
  248   2H4     C  23          2H4         C  23 -23.368  28.990 -14.143
  249    H5     C  23           H5         C  23 -23.816  28.523 -11.777
  250    H6     C  23           H6         C  23 -24.044  26.776 -10.125
  251   1H5*    C  24          1H5*        C  24 -20.309  21.395  -9.269
  252   2H5*    C  24          2H5*        C  24 -18.537  21.394  -9.058
  253    H4*    C  24           H4*        C  24 -19.355  20.133 -11.074
  254    H3*    C  24           H3*        C  24 -17.560  22.525 -11.543
  255    H2*    C  24           H2*        C  24 -17.523  21.943 -13.868
  256   2HO*    C  24          2HO*        C  24 -18.531  19.988 -14.564
  257    H1*    C  24           H1*        C  24 -20.232  21.439 -13.989
  258   1H4     C  24          1H4         C  24 -19.355  27.569 -15.656
  259   2H4     C  24          2H4         C  24 -19.809  28.034 -14.035
  260    H5     C  24           H5         C  24 -20.179  26.411 -12.230
  261    H6     C  24           H6         C  24 -20.161  24.071 -11.674
  262   1H5*    G  25          1H5*        G  25 -15.333  19.292 -13.546
  263   2H5*    G  25          2H5*        G  25 -13.626  19.533 -13.083
  264    H4*    G  25           H4*        G  25 -14.000  19.414 -15.554
  265    H3*    G  25           H3*        G  25 -12.950  22.027 -14.442
  266    H2*    G  25           H2*        G  25 -12.711  22.803 -16.697
  267   2HO*    G  25          2HO*        G  25 -13.084  21.369 -18.446
  268    H1*    G  25           H1*        G  25 -15.170  21.871 -17.490
  269    H8     G  25           H8         G  25 -15.479  23.095 -13.909
  270    H1     G  25           H1         G  25 -15.597  27.824 -18.208
  271   1H2     G  25          1H2         G  25 -15.011  27.071 -20.198
  272   2H2     G  25          2H2         G  25 -14.608  25.390 -20.479
  273   1H5*    U  26          1H5*        U  26 -10.242  21.040 -17.635
  274   2H5*    U  26          2H5*        U  26  -8.586  21.255 -17.007
  275    H4*    U  26           H4*        U  26  -8.878  22.465 -19.118
  276    H3*    U  26           H3*        U  26  -8.716  24.301 -16.713
  277    H2*    U  26           H2*        U  26  -8.605  26.124 -18.274
  278   2HO*    U  26          2HO*        U  26  -8.452  25.711 -20.510
  279    H1*    U  26           H1*        U  26 -10.666  25.135 -19.815
  280    H3     U  26           H3         U  26 -12.528  28.642 -17.587
  281    H5     U  26           H5         U  26 -12.263  25.602 -14.685
  282    H6     U  26           H6         U  26 -11.023  24.274 -16.280
  283   1H5*    G  27          1H5*        G  27  -5.689  25.467 -19.418
  284   2H5*    G  27          2H5*        G  27  -4.222  26.053 -18.586
  285    H4*    G  27           H4*        G  27  -5.445  27.589 -20.290
  286    H3*    G  27           H3*        G  27  -3.901  28.226 -17.982
  287    H2*    G  27           H2*        G  27  -5.522  29.299 -16.752
  288   2HO*    G  27          2HO*        G  27  -4.452  31.137 -17.594
  289    H1*    G  27           H1*        G  27  -7.311  29.953 -19.071
  290    H8     G  27           H8         G  27  -8.043  27.112 -16.656
  291    H1     G  27           H1         G  27 -10.833  32.612 -15.000
  292   1H2     G  27          1H2         G  27 -10.054  34.271 -16.233
  293   2H2     G  27          2H2         G  27  -8.850  34.022 -17.478
  294   1H5*    G  28          1H5*        G  28  -4.678  32.386 -19.859
  295   2H5*    G  28          2H5*        G  28  -4.722  31.236 -21.220
  296    H4*    G  28           H4*        G  28  -4.852  33.149 -22.441
  297    H3*    G  28           H3*        G  28  -1.902  32.837 -21.907
  298    H2*    G  28           H2*        G  28  -1.409  34.986 -22.811
  299   2HO*    G  28          2HO*        G  28  -3.027  36.190 -23.882
  300    H1*    G  28           H1*        G  28  -3.403  36.312 -21.548
  301    H8     G  28           H8         G  28  -2.659  33.695 -19.009
  302    H1     G  28           H1         G  28   1.964  38.115 -19.309
  303   1H2     G  28          1H2         G  28   1.716  39.372 -21.107
  304   2H2     G  28          2H2         G  28   0.412  39.119 -22.248
  305   1H5*    U  29          1H5*        U  29  -1.390  34.477 -25.522
  306   2H5*    U  29          2H5*        U  29  -0.632  33.255 -26.578
  307    H4*    U  29           H4*        U  29   0.682  35.268 -26.693
  308    H3*    U  29           H3*        U  29   1.999  33.202 -24.911
  309    H2*    U  29           H2*        U  29   3.892  34.652 -24.791
  310   2HO*    U  29          2HO*        U  29   2.527  36.285 -26.707
  311    H1*    U  29           H1*        U  29   2.364  36.912 -24.390
  312    H3     U  29           H3         U  29   4.387  35.965 -20.407
  313    H5     U  29           H5         U  29   1.061  33.385 -20.566
  314    H6     U  29           H6         U  29   0.704  34.091 -22.850
  315   1H5*    C  30          1H5*        C  30   4.928  34.266 -28.051
  316   2H5*    C  30          2H5*        C  30   6.040  32.884 -28.255
  317    H4*    C  30           H4*        C  30   7.074  35.129 -27.579
  318    H3*    C  30           H3*        C  30   7.528  32.706 -25.818
  319    H2*    C  30           H2*        C  30   9.106  34.048 -24.603
  320   2HO*    C  30          2HO*        C  30   9.602  36.182 -25.391
  321    H1*    C  30           H1*        C  30   7.444  36.300 -24.643
  322   1H4     C  30          1H4         C  30   6.444  33.380 -19.033
  323   2H4     C  30          2H4         C  30   5.211  32.384 -19.771
  324    H5     C  30           H5         C  30   4.751  32.403 -22.178
  325    H6     C  30           H6         C  30   5.385  33.376 -24.291
  326   1H5*    C  31          1H5*        C  31  11.438  33.940 -26.807
  327   2H5*    C  31          2H5*        C  31  12.542  32.538 -26.785
  328    H4*    C  31           H4*        C  31  12.920  34.460 -25.080
  329    H3*    C  31           H3*        C  31  12.697  31.590 -24.141
  330    H2*    C  31           H2*        C  31  13.361  32.395 -21.982
  331   2HO*    C  31          2HO*        C  31  14.105  34.560 -21.746
  332    H1*    C  31           H1*        C  31  11.807  34.751 -22.244
  333   1H4     C  31          1H4         C  31   8.589  30.644 -18.509
  334   2H4     C  31          2H4         C  31   7.697  30.113 -19.917
  335    H5     C  31           H5         C  31   8.238  30.846 -22.199
  336    H6     C  31           H6         C  31   9.734  32.208 -23.526
  337   1H5*    U  32          1H5*        U  32  16.319  32.403 -22.358
  338   2H5*    U  32          2H5*        U  32  17.476  31.218 -23.027
  339    H4*    U  32           H4*        U  32  17.628  31.151 -20.626
  340    H3*    U  32           H3*        U  32  16.007  28.802 -21.642
  341    H2*    U  32           H2*        U  32  16.037  27.963 -19.405
  342   2HO*    U  32          2HO*        U  32  17.421  28.852 -17.849
  343    H1*    U  32           H1*        U  32  15.726  30.526 -18.275
  344    H3     U  32           H3         U  32  12.087  27.932 -17.228
  345    H5     U  32           H5         U  32  11.279  29.497 -21.046
  346    H6     U  32           H6         U  32  13.555  30.323 -21.118
  347   1H5*    C  33          1H5*        C  33  19.549  27.397 -19.392
  348   2H5*    C  33          2H5*        C  33  19.967  25.736 -19.895
  349    H4*    C  33           H4*        C  33  19.404  26.245 -17.385
  350    H3*    C  33           H3*        C  33  18.141  23.939 -18.885
  351    H2*    C  33           H2*        C  33  17.212  23.249 -16.798
  352   2HO*    C  33          2HO*        C  33  17.864  24.348 -14.858
  353    H1*    C  33           H1*        C  33  16.675  25.890 -15.987
  354   1H4     C  33          1H4         C  33  10.954  24.256 -18.163
  355   2H4     C  33          2H4         C  33  11.621  23.503 -19.595
  356    H5     C  33           H5         C  33  14.022  23.434 -20.058
  357    H6     C  33           H6         C  33  16.210  24.086 -19.232
  358   1H5*    C  34          1H5*        C  34  19.768  22.521 -15.144
  359   2H5*    C  34          2H5*        C  34  20.378  20.863 -15.376
  360    H4*    C  34           H4*        C  34  18.563  21.345 -13.540
  361    H3*    C  34           H3*        C  34  18.288  19.074 -15.523
  362    H2*    C  34           H2*        C  34  16.371  18.369 -14.290
  363   2HO*    C  34          2HO*        C  34  17.422  18.802 -12.181
  364    H1*    C  34           H1*        C  34  15.495  21.010 -13.807
  365   1H4     C  34          1H4         C  34  11.952  18.558 -18.555
  366   2H4     C  34          2H4         C  34  13.069  19.243 -19.715
  367    H5     C  34           H5         C  34  15.174  20.336 -19.057
  368    H6     C  34           H6         C  34  16.557  20.964 -17.186
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1   0.684  18.651 -10.770
    2   2H5*    G   1          2H5*        G   1   1.544  18.455 -12.297
    3    H4*    G   1           H4*        G   1   2.433  17.331  -9.632
    4    H3*    G   1           H3*        G   1   3.381  19.753 -11.180
    5    H2*    G   1           H2*        G   1   5.590  19.354 -10.345
    6   2HO*    G   1          2HO*        G   1   5.968  17.871  -8.709
    7    H1*    G   1           H1*        G   1   5.497  16.645 -10.802
    8    H8     G   1           H8         G   1   3.775  17.539 -13.852
    9    H1     G   1           H1         G   1   9.722  19.890 -13.980
   10   1H2     G   1          1H2         G   1  10.617  19.840 -11.958
   11   2H2     G   1          2H2         G   1   9.746  19.232 -10.568
   12   1H5*    G   2          1H5*        G   2   5.001  20.335  -7.255
   13   2H5*    G   2          2H5*        G   2   4.723  22.026  -6.759
   14    H4*    G   2           H4*        G   2   7.105  21.298  -6.564
   15    H3*    G   2           H3*        G   2   6.498  23.497  -8.558
   16    H2*    G   2           H2*        G   2   8.855  23.728  -8.905
   17   2HO*    G   2          2HO*        G   2  10.312  22.469  -7.626
   18    H1*    G   2           H1*        G   2   9.290  21.043  -9.112
   19    H8     G   2           H8         G   2   5.931  21.500 -10.735
   20    H1     G   2           H1         G   2  10.712  23.680 -14.373
   21   1H2     G   2          1H2         G   2  12.587  23.812 -13.201
   22   2H2     G   2          2H2         G   2  12.661  23.343 -11.517
   23   1H5*    A   3          1H5*        A   3   9.647  25.029  -6.737
   24   2H5*    A   3          2H5*        A   3   9.456  26.761  -6.362
   25    H4*    A   3           H4*        A   3  11.390  26.075  -7.930
   26    H3*    A   3           H3*        A   3   9.360  28.133  -8.819
   27    H2*    A   3           H2*        A   3  10.612  28.451 -10.766
   28   2HO*    A   3          2HO*        A   3  12.807  27.834 -10.913
   29    H1*    A   3           H1*        A   3  11.535  25.715 -10.843
   30    H8     A   3           H8         A   3   7.846  25.583 -10.817
   31   1H6     A   3          1H6         A   3   7.950  27.170 -16.822
   32   2H6     A   3          2H6         A   3   6.954  26.557 -15.519
   33    H2     A   3           H2         A   3  12.038  27.837 -15.110
   34   1H5*    G   4          1H5*        G   4  13.251  30.004  -9.222
   35   2H5*    G   4          2H5*        G   4  13.088  31.652  -8.565
   36    H4*    G   4           H4*        G   4  14.142  31.753 -10.745
   37    H3*    G   4           H3*        G   4  11.244  32.622 -10.927
   38    H2*    G   4           H2*        G   4  11.788  33.361 -13.147
   39   2HO*    G   4          2HO*        G   4  13.976  33.319 -13.854
   40    H1*    G   4           H1*        G   4  13.316  31.070 -13.661
   41    H8     G   4           H8         G   4  10.142  30.052 -11.870
   42    H1     G   4           H1         G   4   9.294  31.321 -18.092
   43   1H2     G   4          1H2         G   4  11.109  32.290 -18.916
   44   2H2     G   4          2H2         G   4  12.518  32.609 -17.937
   45   1H5*    G   5          1H5*        G   5  13.929  35.941 -12.195
   46   2H5*    G   5          2H5*        G   5  13.032  37.476 -12.033
   47    H4*    G   5           H4*        G   5  14.001  36.773 -14.362
   48    H3*    G   5           H3*        G   5  11.114  37.642 -14.074
   49    H2*    G   5           H2*        G   5  11.040  37.635 -16.467
   50   2HO*    G   5          2HO*        G   5  12.979  37.417 -17.676
   51    H1*    G   5           H1*        G   5  12.674  35.328 -16.637
   52    H8     G   5           H8         G   5  10.116  34.297 -14.170
   53    H1     G   5           H1         G   5   7.534  34.893 -19.992
   54   1H2     G   5          1H2         G   5   8.903  35.962 -21.354
   55   2H2     G   5          2H2         G   5  10.471  36.543 -20.833
   56   1H5*    A   6          1H5*        A   6  12.637  40.063 -17.128
   57   2H5*    A   6          2H5*        A   6  12.365  41.754 -16.635
   58    H4*    A   6           H4*        A   6  11.649  41.574 -18.901
   59    H3*    A   6           H3*        A   6   9.229  41.411 -17.082
   60    H2*    A   6           H2*        A   6   7.884  41.511 -19.059
   61   2HO*    A   6          2HO*        A   6   8.885  41.883 -21.096
   62    H1*    A   6           H1*        A   6   9.485  39.749 -20.450
   63    H8     A   6           H8         A   6   9.095  38.641 -16.809
   64   1H6     A   6          1H6         A   6   3.826  35.931 -18.659
   65   2H6     A   6          2H6         A   6   4.963  36.110 -17.341
   66    H2     A   6           H2         A   6   5.416  38.446 -22.033
   67   1H5*    C   7          1H5*        C   7   8.570  44.359 -20.145
   68   2H5*    C   7          2H5*        C   7   7.604  45.693 -19.470
   69    H4*    C   7           H4*        C   7   6.674  44.592 -21.563
   70    H3*    C   7           H3*        C   7   4.979  44.579 -19.053
   71    H2*    C   7           H2*        C   7   3.205  43.707 -20.393
   72   2HO*    C   7          2HO*        C   7   3.500  43.551 -22.692
   73    H1*    C   7           H1*        C   7   4.861  41.990 -21.811
   74   1H4     C   7          1H4         C   7   2.073  38.572 -17.183
   75   2H4     C   7          2H4         C   7   3.363  38.994 -16.085
   76    H5     C   7           H5         C   7   5.121  40.579 -16.649
   77    H6     C   7           H6         C   7   5.995  42.039 -18.391
   78   1H5*    A   8          1H5*        A   8   2.459  46.186 -22.285
   79   2H5*    A   8          2H5*        A   8   1.395  47.394 -21.517
   80    H4*    A   8           H4*        A   8   0.263  45.449 -22.736
   81    H3*    A   8           H3*        A   8  -0.376  46.031 -19.852
   82    H2*    A   8           H2*        A   8  -2.003  44.283 -19.908
   83   2HO*    A   8          2HO*        A   8  -2.666  43.360 -21.865
   84    H1*    A   8           H1*        A   8  -0.457  42.559 -21.423
   85    H8     A   8           H8         A   8   1.839  44.125 -18.945
   86   1H6     A   8          1H6         A   8  -0.198  39.970 -14.822
   87   2H6     A   8          2H6         A   8   1.017  41.184 -15.150
   88    H2     A   8           H2         A   8  -2.884  39.849 -18.413
   89   1H5*    U   9          1H5*        U   9  -3.864  46.039 -22.192
   90   2H5*    U   9          2H5*        U   9  -5.234  47.049 -21.661
   91    H4*    U   9           H4*        U   9  -5.636  44.508 -21.824
   92    H3*    U   9           H3*        U   9  -6.860  46.299 -20.029
   93    H2*    U   9           H2*        U   9  -5.433  45.681 -18.245
   94   2HO*    U   9          2HO*        U   9  -7.273  43.575 -17.983
   95    H1*    U   9           H1*        U   9  -5.628  42.851 -19.207
   96    H3     U   9           H3         U   9  -3.743  41.424 -15.380
   97    H5     U   9           H5         U   9  -1.235  44.545 -16.593
   98    H6     U   9           H6         U   9  -2.717  44.990 -18.403
   99   1H5*    C  10          1H5*        C  10  -9.391  41.390 -18.982
  100   2H5*    C  10          2H5*        C  10  -9.109  43.031 -18.352
  101    H4*    C  10           H4*        C  10  -7.738  40.588 -17.269
  102    H3*    C  10           H3*        C  10 -10.514  41.205 -16.799
  103    H2*    C  10           H2*        C  10 -10.026  42.928 -15.228
  104   2HO*    C  10          2HO*        C  10  -9.716  42.039 -13.112
  105    H1*    C  10           H1*        C  10  -7.420  41.481 -14.615
  106   1H4     C  10          1H4         C  10  -6.742  47.273 -11.683
  107   2H4     C  10          2H4         C  10  -5.583  47.559 -12.959
  108    H5     C  10           H5         C  10  -5.306  46.040 -14.875
  109    H6     C  10           H6         C  10  -6.102  44.004 -15.892
  110   1H5*    C  11          1H5*        C  11  -6.249  36.902 -16.409
  111   2H5*    C  11          2H5*        C  11  -7.350  37.485 -15.131
  112    H4*    C  11           H4*        C  11  -5.010  39.065 -16.235
  113    H3*    C  11           H3*        C  11  -5.197  37.169 -13.900
  114    H2*    C  11           H2*        C  11  -4.689  38.810 -12.358
  115   2HO*    C  11          2HO*        C  11  -2.951  40.343 -12.809
  116    H1*    C  11           H1*        C  11  -4.664  41.042 -14.319
  117   1H4     C  11          1H4         C  11  -7.619  43.415  -9.176
  118   2H4     C  11          2H4         C  11  -8.992  42.373  -9.474
  119    H5     C  11           H5         C  11  -9.011  40.673 -11.257
  120    H6     C  11           H6         C  11  -7.716  39.679 -13.032
  121   1H5*    C  12          1H5*        C  12  -3.117  38.023 -11.687
  122   2H5*    C  12          2H5*        C  12  -1.680  36.984 -11.605
  123    H4*    C  12           H4*        C  12  -3.976  37.065  -9.895
  124    H3*    C  12           H3*        C  12  -1.389  36.526  -9.389
  125    H2*    C  12           H2*        C  12  -1.491  34.640 -10.919
  126   2HO*    C  12          2HO*        C  12  -1.346  32.765  -9.422
  127    H1*    C  12           H1*        C  12  -3.911  33.735  -9.311
  128   1H4     C  12          1H4         C  12  -3.194  29.126 -13.849
  129   2H4     C  12          2H4         C  12  -4.272  30.092 -14.830
  130    H5     C  12           H5         C  12  -4.998  32.344 -14.187
  131    H6     C  12           H6         C  12  -4.826  34.062 -12.498
  132   1H5*    U  13          1H5*        U  13  -5.901  36.964  -9.973
  133   2H5*    U  13          2H5*        U  13  -5.733  38.294  -8.798
  134    H4*    U  13           H4*        U  13  -8.058  37.917  -9.148
  135    H3*    U  13           H3*        U  13  -6.968  37.256  -6.512
  136    H2*    U  13           H2*        U  13  -8.071  35.224  -6.396
  137   2HO*    U  13          2HO*        U  13  -9.551  36.565  -5.181
  138    H1*    U  13           H1*        U  13  -9.974  36.117  -8.549
  139    H3     U  13           H3         U  13 -11.687  32.133  -9.554
  140    H5     U  13           H5         U  13  -8.138  31.096  -7.569
  141    H6     U  13           H6         U  13  -7.601  33.476  -7.389
  142   1H5*    C  14          1H5*        C  14 -12.067  39.146  -9.359
  143   2H5*    C  14          2H5*        C  14 -12.333  37.384  -9.459
  144    H4*    C  14           H4*        C  14 -10.423  39.122 -10.994
  145    H3*    C  14           H3*        C  14 -12.274  36.840 -11.763
  146    H2*    C  14           H2*        C  14 -10.856  36.497 -13.682
  147   2HO*    C  14          2HO*        C  14  -9.264  38.067 -14.207
  148    H1*    C  14           H1*        C  14  -8.481  37.131 -12.283
  149   1H4     C  14          1H4         C  14  -9.839  30.584 -12.091
  150   2H4     C  14          2H4         C  14  -8.242  30.697 -11.394
  151    H5     C  14           H5         C  14  -7.136  32.891 -10.929
  152    H6     C  14           H6         C  14  -7.430  35.302 -11.058
  153   1H5*    A  15          1H5*        A  15 -12.650  39.140 -15.615
  154   2H5*    A  15          2H5*        A  15 -14.252  38.628 -16.218
  155    H4*    A  15           H4*        A  15 -11.951  37.938 -17.429
  156    H3*    A  15           H3*        A  15 -14.376  36.144 -17.110
  157    H2*    A  15           H2*        A  15 -13.188  34.485 -18.401
  158   2HO*    A  15          2HO*        A  15 -11.143  35.033 -19.320
  159    H1*    A  15           H1*        A  15 -10.832  34.875 -17.010
  160    H8     A  15           H8         A  15 -13.319  35.271 -14.345
  161   1H6     A  15          1H6         A  15 -14.181  29.127 -14.411
  162   2H6     A  15          2H6         A  15 -14.510  30.606 -13.536
  163    H2     A  15           H2         A  15 -11.770  30.285 -18.017
  164   1H5*    C  16          1H5*        C  16 -13.471  35.746 -21.534
  165   2H5*    C  16          2H5*        C  16 -15.119  35.739 -22.220
  166    H4*    C  16           H4*        C  16 -13.608  33.734 -22.766
  167    H3*    C  16           H3*        C  16 -16.312  33.273 -21.481
  168    H2*    C  16           H2*        C  16 -15.955  30.925 -21.817
  169   2HO*    C  16          2HO*        C  16 -14.107  30.216 -22.995
  170    H1*    C  16           H1*        C  16 -13.327  31.030 -20.953
  171   1H4     C  16          1H4         C  16 -16.628  29.544 -15.722
  172   2H4     C  16          2H4         C  16 -17.235  31.180 -15.586
  173    H5     C  16           H5         C  16 -16.764  32.918 -17.262
  174    H6     C  16           H6         C  16 -15.625  33.374 -19.354
  175   1H5*    G  17          1H5*        G  17 -16.537  30.925 -25.481
  176   2H5*    G  17          2H5*        G  17 -18.296  30.715 -25.694
  177    H4*    G  17           H4*        G  17 -16.751  28.616 -25.416
  178    H3*    G  17           H3*        G  17 -19.315  28.986 -23.843
  179    H2*    G  17           H2*        G  17 -18.985  26.780 -22.963
  180   2HO*    G  17          2HO*        G  17 -17.253  25.487 -23.768
  181    H1*    G  17           H1*        G  17 -16.303  27.167 -22.489
  182    H8     G  17           H8         G  17 -18.036  30.428 -21.679
  183    H1     G  17           H1         G  17 -18.789  26.001 -17.139
  184   1H2     G  17          1H2         G  17 -18.127  24.020 -17.873
  185   2H2     G  17          2H2         G  17 -17.480  23.799 -19.482
  186   1H5*    G  18          1H5*        G  18 -19.502  24.953 -25.538
  187   2H5*    G  18          2H5*        G  18 -21.162  24.779 -26.170
  188    H4*    G  18           H4*        G  18 -20.476  22.927 -24.641
  189    H3*    G  18           H3*        G  18 -22.739  24.707 -23.702
  190    H2*    G  18           H2*        G  18 -23.024  23.248 -21.839
  191   2HO*    G  18          2HO*        G  18 -21.868  21.260 -21.744
  192    H1*    G  18           H1*        G  18 -20.309  22.944 -21.382
  193    H8     G  18           H8         G  18 -20.999  26.557 -22.290
  194    H1     G  18           H1         G  18 -22.461  25.175 -16.222
  195   1H2     G  18          1H2         G  18 -22.417  22.994 -15.887
  196   2H2     G  18          2H2         G  18 -22.011  21.865 -17.163
  197   1H5*    G  19          1H5*        G  19 -24.343  21.030 -22.918
  198   2H5*    G  19          2H5*        G  19 -26.022  20.999 -23.522
  199    H4*    G  19           H4*        G  19 -25.807  20.510 -21.065
  200    H3*    G  19           H3*        G  19 -27.295  23.047 -21.797
  201    H2*    G  19           H2*        G  19 -27.873  23.230 -19.488
  202   2HO*    G  19          2HO*        G  19 -27.716  21.505 -18.097
  203    H1*    G  19           H1*        G  19 -25.357  22.286 -18.618
  204    H8     G  19           H8         G  19 -25.163  24.977 -21.350
  205    H1     G  19           H1         G  19 -25.709  27.310 -15.417
  206   1H2     G  19          1H2         G  19 -26.138  25.684 -13.990
  207   2H2     G  19          2H2         G  19 -26.282  24.013 -14.491
  208   1H5*    U  20          1H5*        U  20 -29.726  23.995 -21.141
  209   2H5*    U  20          2H5*        U  20 -29.753  22.562 -20.086
  210    H4*    U  20           H4*        U  20 -32.186  24.113 -21.014
  211    H3*    U  20           H3*        U  20 -30.687  24.106 -18.394
  212    H2*    U  20           H2*        U  20 -32.741  24.334 -17.218
  213   2HO*    U  20          2HO*        U  20 -33.625  25.972 -18.634
  214    H1*    U  20           H1*        U  20 -34.213  22.691 -18.971
  215    H3     U  20           H3         U  20 -33.598  21.252 -14.476
  216    H5     U  20           H5         U  20 -31.111  19.002 -17.020
  217    H6     U  20           H6         U  20 -31.592  20.591 -18.793
  218   1H5*    G  21          1H5*        G  21 -31.154  28.287 -15.642
  219   2H5*    G  21          2H5*        G  21 -29.583  27.506 -15.966
  220    H4*    G  21           H4*        G  21 -31.698  26.805 -14.030
  221    H3*    G  21           H3*        G  21 -28.752  26.179 -14.295
  222    H2*    G  21           H2*        G  21 -29.031  24.465 -12.669
  223   2HO*    G  21          2HO*        G  21 -30.918  24.360 -11.394
  224    H1*    G  21           H1*        G  21 -31.596  23.738 -13.576
  225    H8     G  21           H8         G  21 -29.124  24.069 -16.439
  226    H1     G  21           H1         G  21 -28.863  18.412 -13.474
  227   1H2     G  21          1H2         G  21 -30.064  18.461 -11.618
  228   2H2     G  21          2H2         G  21 -30.932  19.890 -11.107
  229   1H5*    A  22          1H5*        A  22 -29.400  27.529 -10.079
  230   2H5*    A  22          2H5*        A  22 -27.911  28.227  -9.378
  231    H4*    A  22           H4*        A  22 -28.749  26.327  -8.043
  232    H3*    A  22           H3*        A  22 -26.155  25.836  -9.526
  233    H2*    A  22           H2*        A  22 -26.007  23.707  -8.423
  234   2HO*    A  22          2HO*        A  22 -26.798  24.473  -6.349
  235    H1*    A  22           H1*        A  22 -28.665  23.109  -8.797
  236    H8     A  22           H8         A  22 -26.960  24.927 -11.750
  237   1H6     A  22          1H6         A  22 -25.642  19.289 -13.893
  238   2H6     A  22          2H6         A  22 -25.588  21.005 -14.232
  239    H2     A  22           H2         A  22 -27.463  18.855  -9.830
  240   1H5*    C  23          1H5*        C  23 -22.209  24.412  -7.128
  241   2H5*    C  23          2H5*        C  23 -22.418  25.578  -8.460
  242    H4*    C  23           H4*        C  23 -23.407  22.714  -8.398
  243    H3*    C  23           H3*        C  23 -21.155  24.052  -9.900
  244    H2*    C  23           H2*        C  23 -21.554  22.604 -11.759
  245   2HO*    C  23          2HO*        C  23 -23.027  20.874 -11.582
  246    H1*    C  23           H1*        C  23 -24.264  22.882 -11.702
  247   1H4     C  23          1H4         C  23 -22.133  27.502 -15.564
  248   2H4     C  23          2H4         C  23 -22.093  28.605 -14.209
  249    H5     C  23           H5         C  23 -22.525  27.897 -11.907
  250    H6     C  23           H6         C  23 -23.074  26.017 -10.497
  251   1H5*    C  24          1H5*        C  24 -20.434  20.103 -10.649
  252   2H5*    C  24          2H5*        C  24 -18.723  19.682 -10.372
  253    H4*    C  24           H4*        C  24 -19.448  19.069 -12.642
  254    H3*    C  24           H3*        C  24 -17.498  21.385 -12.522
  255    H2*    C  24           H2*        C  24 -17.390  21.301 -14.917
  256   2HO*    C  24          2HO*        C  24 -18.480  19.615 -16.042
  257    H1*    C  24           H1*        C  24 -20.122  21.048 -15.209
  258   1H4     C  24          1H4         C  24 -18.819  27.306 -15.480
  259   2H4     C  24          2H4         C  24 -19.157  27.432 -13.770
  260    H5     C  24           H5         C  24 -19.606  25.480 -12.345
  261    H6     C  24           H6         C  24 -19.786  23.079 -12.318
  262   1H5*    G  25          1H5*        G  25 -15.239  18.623 -15.125
  263   2H5*    G  25          2H5*        G  25 -13.570  18.718 -14.500
  264    H4*    G  25           H4*        G  25 -13.784  19.224 -16.946
  265    H3*    G  25           H3*        G  25 -12.808  21.468 -15.158
  266    H2*    G  25           H2*        G  25 -12.384  22.738 -17.145
  267   2HO*    G  25          2HO*        G  25 -12.622  21.746 -19.204
  268    H1*    G  25           H1*        G  25 -14.769  22.014 -18.336
  269    H8     G  25           H8         G  25 -15.187  22.581 -14.572
  270    H1     G  25           H1         G  25 -15.430  27.951 -18.046
  271   1H2     G  25          1H2         G  25 -14.827  27.535 -20.134
  272   2H2     G  25          2H2         G  25 -14.380  25.933 -20.679
  273   1H5*    U  26          1H5*        U  26  -9.700  21.033 -18.169
  274   2H5*    U  26          2H5*        U  26  -8.127  21.315 -17.376
  275    H4*    U  26           H4*        U  26  -8.532  22.809 -19.333
  276    H3*    U  26           H3*        U  26  -8.402  24.197 -16.642
  277    H2*    U  26           H2*        U  26  -8.386  26.265 -17.868
  278   2HO*    U  26          2HO*        U  26  -8.380  26.168 -20.196
  279    H1*    U  26           H1*        U  26 -10.438  25.464 -19.530
  280    H3     U  26           H3         U  26 -12.336  28.493 -16.699
  281    H5     U  26           H5         U  26 -12.006  24.987 -14.394
  282    H6     U  26           H6         U  26 -10.746  23.992 -16.201
  283   1H5*    G  27          1H5*        G  27  -5.321  25.936 -19.074
  284   2H5*    G  27          2H5*        G  27  -3.933  26.450 -18.079
  285    H4*    G  27           H4*        G  27  -5.195  28.182 -19.554
  286    H3*    G  27           H3*        G  27  -3.803  28.507 -17.063
  287    H2*    G  27           H2*        G  27  -5.524  29.338 -15.811
  288   2HO*    G  27          2HO*        G  27  -5.938  31.502 -16.053
  289    H1*    G  27           H1*        G  27  -7.198  30.204 -18.135
  290    H8     G  27           H8         G  27  -7.960  27.044 -16.189
  291    H1     G  27           H1         G  27 -11.052  32.125 -13.910
  292   1H2     G  27          1H2         G  27 -10.294  33.980 -14.816
  293   2H2     G  27          2H2         G  27  -9.015  33.977 -16.014
  294   1H5*    G  28          1H5*        G  28  -5.453  33.420 -18.860
  295   2H5*    G  28          2H5*        G  28  -6.355  32.485 -20.079
  296    H4*    G  28           H4*        G  28  -6.082  34.122 -21.563
  297    H3*    G  28           H3*        G  28  -3.139  33.684 -21.063
  298    H2*    G  28           H2*        G  28  -2.597  35.758 -22.111
  299   2HO*    G  28          2HO*        G  28  -4.244  36.975 -23.165
  300    H1*    G  28           H1*        G  28  -4.533  37.217 -20.877
  301    H8     G  28           H8         G  28  -3.879  35.059 -18.024
  302    H1     G  28           H1         G  28   1.261  38.664 -19.289
  303   1H2     G  28          1H2         G  28   1.093  39.582 -21.294
  304   2H2     G  28          2H2         G  28  -0.289  39.298 -22.331
  305   1H5*    U  29          1H5*        U  29  -2.865  35.053 -24.885
  306   2H5*    U  29          2H5*        U  29  -2.372  33.682 -25.916
  307    H4*    U  29           H4*        U  29  -0.982  35.515 -26.526
  308    H3*    U  29           H3*        U  29   0.484  33.653 -24.643
  309    H2*    U  29           H2*        U  29   2.442  34.990 -24.922
  310   2HO*    U  29          2HO*        U  29   0.910  36.424 -26.873
  311    H1*    U  29           H1*        U  29   1.138  37.352 -24.568
  312    H3     U  29           H3         U  29   3.452  36.389 -20.734
  313    H5     U  29           H5         U  29  -0.228  34.387 -20.330
  314    H6     U  29           H6         U  29  -0.713  34.959 -22.629
  315   1H5*    C  30          1H5*        C  30   3.095  34.177 -27.969
  316   2H5*    C  30          2H5*        C  30   4.015  32.680 -28.279
  317    H4*    C  30           H4*        C  30   5.418  34.728 -27.824
  318    H3*    C  30           H3*        C  30   5.670  32.422 -25.876
  319    H2*    C  30           H2*        C  30   7.531  33.609 -24.922
  320   2HO*    C  30          2HO*        C  30   8.260  35.560 -25.934
  321    H1*    C  30           H1*        C  30   6.195  36.055 -25.006
  322   1H4     C  30          1H4         C  30   5.260  33.620 -19.155
  323   2H4     C  30          2H4         C  30   3.815  32.817 -19.724
  324    H5     C  30           H5         C  30   3.146  32.798 -22.083
  325    H6     C  30           H6         C  30   3.739  33.546 -24.299
  326   1H5*    C  31          1H5*        C  31   9.595  33.037 -27.302
  327   2H5*    C  31          2H5*        C  31  10.522  31.512 -27.251
  328    H4*    C  31           H4*        C  31  11.329  33.495 -25.798
  329    H3*    C  31           H3*        C  31  10.824  30.789 -24.535
  330    H2*    C  31           H2*        C  31  11.823  31.686 -22.551
  331   2HO*    C  31          2HO*        C  31  12.535  33.940 -24.171
  332    H1*    C  31           H1*        C  31  10.564  34.189 -22.886
  333   1H4     C  31          1H4         C  31   7.282  30.802 -18.524
  334   2H4     C  31          2H4         C  31   6.144  30.366 -19.779
  335    H5     C  31           H5         C  31   6.491  30.913 -22.149
  336    H6     C  31           H6         C  31   8.001  31.955 -23.729
  337   1H5*    U  32          1H5*        U  32  14.496  31.498 -23.160
  338   2H5*    U  32          2H5*        U  32  15.590  30.190 -23.681
  339    H4*    U  32           H4*        U  32  15.879  30.500 -21.317
  340    H3*    U  32           H3*        U  32  14.120  28.088 -21.824
  341    H2*    U  32           H2*        U  32  14.306  27.632 -19.482
  342   2HO*    U  32          2HO*        U  32  15.760  28.899 -18.197
  343    H1*    U  32           H1*        U  32  14.075  30.342 -18.788
  344    H3     U  32           H3         U  32  10.455  27.994 -17.200
  345    H5     U  32           H5         U  32   9.495  28.994 -21.173
  346    H6     U  32           H6         U  32  11.775  29.759 -21.462
  347   1H5*    C  33          1H5*        C  33  17.778  27.076 -19.624
  348   2H5*    C  33          2H5*        C  33  18.234  25.370 -19.880
  349    H4*    C  33           H4*        C  33  17.970  26.180 -17.456
  350    H3*    C  33           H3*        C  33  16.342  23.809 -18.403
  351    H2*    C  33           H2*        C  33  15.674  23.529 -16.132
  352   2HO*    C  33          2HO*        C  33  17.812  25.343 -15.545
  353    H1*    C  33           H1*        C  33  15.604  26.311 -15.634
  354   1H4     C  33          1H4         C  33   9.630  24.046 -15.969
  355   2H4     C  33          2H4         C  33   9.580  24.494 -17.656
  356    H5     C  33           H5         C  33  11.502  25.315 -18.863
  357    H6     C  33           H6         C  33  13.880  25.865 -18.699
  358   1H5*    C  34          1H5*        C  34  18.406  22.563 -14.885
  359   2H5*    C  34          2H5*        C  34  18.800  20.829 -15.020
  360    H4*    C  34           H4*        C  34  17.307  21.618 -13.047
  361    H3*    C  34           H3*        C  34  16.464  19.348 -14.864
  362    H2*    C  34           H2*        C  34  14.571  19.016 -13.475
  363   2HO*    C  34          2HO*        C  34  15.550  19.096 -11.435
  364    H1*    C  34           H1*        C  34  14.261  21.784 -12.893
  365   1H4     C  34          1H4         C  34   9.617  20.116 -16.967
  366   2H4     C  34          2H4         C  34  10.664  20.518 -18.312
  367    H5     C  34           H5         C  34  13.034  21.127 -18.020
  368    H6     C  34           H6         C  34  14.780  21.474 -16.399
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1   5.324  17.781 -24.176
    2   2H5*    G   1          2H5*        G   1   6.458  18.795 -25.068
    3    H4*    G   1           H4*        G   1   7.144  16.170 -23.728
    4    H3*    G   1           H3*        G   1   7.683  19.022 -22.867
    5    H2*    G   1           H2*        G   1   9.700  18.235 -21.837
    6   2HO*    G   1          2HO*        G   1  10.147  15.992 -21.769
    7    H1*    G   1           H1*        G   1  10.428  16.715 -24.004
    8    H8     G   1           H8         G   1   8.822  19.730 -25.568
    9    H1     G   1           H1         G   1  14.611  21.049 -23.208
   10   1H2     G   1          1H2         G   1  15.342  19.387 -21.957
   11   2H2     G   1          2H2         G   1  14.395  17.941 -21.682
   12   1H5*    G   2          1H5*        G   2   8.400  16.686 -19.420
   13   2H5*    G   2          2H5*        G   2   7.770  17.513 -17.970
   14    H4*    G   2           H4*        G   2  10.198  16.908 -17.832
   15    H3*    G   2           H3*        G   2   9.521  19.861 -17.791
   16    H2*    G   2           H2*        G   2  11.830  20.279 -17.302
   17   2HO*    G   2          2HO*        G   2  13.243  18.538 -16.874
   18    H1*    G   2           H1*        G   2  12.733  18.471 -19.191
   19    H8     G   2           H8         G   2   9.900  19.951 -21.014
   20    H1     G   2           H1         G   2  14.626  24.198 -20.297
   21   1H2     G   2          1H2         G   2  16.088  23.472 -18.806
   22   2H2     G   2          2H2         G   2  15.895  21.942 -17.980
   23   1H5*    A   3          1H5*        A   3  11.775  19.119 -14.183
   24   2H5*    A   3          2H5*        A   3  11.210  20.207 -12.884
   25    H4*    A   3           H4*        A   3  13.688  20.342 -13.553
   26    H3*    A   3           H3*        A   3  11.960  22.828 -13.609
   27    H2*    A   3           H2*        A   3  13.963  24.083 -14.057
   28   2HO*    A   3          2HO*        A   3  16.001  22.971 -14.055
   29    H1*    A   3           H1*        A   3  14.864  22.272 -15.946
   30    H8     A   3           H8         A   3  11.368  22.158 -16.892
   31   1H6     A   3          1H6         A   3  11.771  27.918 -19.115
   32   2H6     A   3          2H6         A   3  10.816  26.453 -19.074
   33    H2     A   3           H2         A   3  15.377  27.154 -16.562
   34   1H5*    G   4          1H5*        G   4  15.092  24.144 -10.886
   35   2H5*    G   4          2H5*        G   4  14.210  24.775  -9.467
   36    H4*    G   4           H4*        G   4  15.881  26.379 -10.351
   37    H3*    G   4           H3*        G   4  12.988  27.215 -10.681
   38    H2*    G   4           H2*        G   4  13.805  29.351 -11.402
   39   2HO*    G   4          2HO*        G   4  16.379  28.353 -10.618
   40    H1*    G   4           H1*        G   4  15.780  28.231 -13.002
   41    H8     G   4           H8         G   4  12.750  26.042 -13.435
   42    H1     G   4           H1         G   4  12.234  31.617 -16.535
   43   1H2     G   4          1H2         G   4  13.835  33.000 -15.889
   44   2H2     G   4          2H2         G   4  15.030  32.549 -14.695
   45   1H5*    G   5          1H5*        G   5  14.965  30.469  -8.273
   46   2H5*    G   5          2H5*        G   5  13.685  31.074  -7.184
   47    H4*    G   5           H4*        G   5  14.837  32.811  -8.651
   48    H3*    G   5           H3*        G   5  11.837  32.467  -8.902
   49    H2*    G   5           H2*        G   5  11.853  34.417 -10.296
   50   2HO*    G   5          2HO*        G   5  13.753  35.654 -10.523
   51    H1*    G   5           H1*        G   5  14.114  33.603 -11.687
   52    H8     G   5           H8         G   5  12.019  30.524 -11.147
   53    H1     G   5           H1         G   5   9.709  34.294 -15.763
   54   1H2     G   5          1H2         G   5  10.725  36.256 -15.725
   55   2H2     G   5          2H2         G   5  11.984  36.636 -14.572
   56   1H5*    A   6          1H5*        A   6  12.352  36.793  -7.813
   57   2H5*    A   6          2H5*        A   6  10.853  37.212  -6.939
   58    H4*    A   6           H4*        A   6  11.398  38.540  -9.074
   59    H3*    A   6           H3*        A   6   8.732  37.127  -8.787
   60    H2*    A   6           H2*        A   6   8.063  38.168 -10.836
   61   2HO*    A   6          2HO*        A   6   9.392  39.752 -11.809
   62    H1*    A   6           H1*        A   6  10.469  37.674 -12.096
   63    H8     A   6           H8         A   6   9.928  34.534 -10.179
   64   1H6     A   6          1H6         A   6   5.726  32.874 -14.416
   65   2H6     A   6          2H6         A   6   6.700  32.334 -13.066
   66    H2     A   6           H2         A   6   6.691  37.211 -15.012
   67   1H5*    C   7          1H5*        C   7   7.694  41.371  -9.591
   68   2H5*    C   7          2H5*        C   7   6.121  41.666  -8.805
   69    H4*    C   7           H4*        C   7   6.355  41.961 -11.392
   70    H3*    C   7           H3*        C   7   4.084  40.433 -10.092
   71    H2*    C   7           H2*        C   7   3.135  40.072 -12.247
   72   2HO*    C   7          2HO*        C   7   5.123  41.918 -13.169
   73    H1*    C   7           H1*        C   7   5.538  39.479 -13.470
   74   1H4     C   7          1H4         C   7   2.908  33.944 -11.526
   75   2H4     C   7          2H4         C   7   4.066  33.925 -10.216
   76    H5     C   7           H5         C   7   5.563  35.809  -9.725
   77    H6     C   7           H6         C   7   6.192  38.029 -10.396
   78   1H5*    A   8          1H5*        A   8   2.267  42.919 -12.808
   79   2H5*    A   8          2H5*        A   8   0.834  43.742 -12.135
   80    H4*    A   8           H4*        A   8   0.446  42.430 -14.245
   81    H3*    A   8           H3*        A   8  -1.127  41.940 -11.754
   82    H2*    A   8           H2*        A   8  -2.099  39.971 -12.483
   83   2HO*    A   8          2HO*        A   8  -2.879  41.086 -14.430
   84    H1*    A   8           H1*        A   8  -0.145  39.224 -14.396
   85    H8     A   8           H8         A   8   1.330  39.761 -11.037
   86   1H6     A   8          1H6         A   8  -0.267  33.902  -9.773
   87   2H6     A   8          2H6         A   8   0.663  35.273  -9.216
   88    H2     A   8           H2         A   8  -2.259  35.174 -13.597
   89   1H5*    U   9          1H5*        U   9   0.572  42.159 -17.079
   90   2H5*    U   9          2H5*        U   9  -0.787  43.242 -17.450
   91    H4*    U   9           H4*        U   9  -0.537  40.927 -18.718
   92    H3*    U   9           H3*        U   9  -2.925  42.449 -18.015
   93    H2*    U   9           H2*        U   9  -4.004  40.630 -17.139
   94   2HO*    U   9          2HO*        U   9  -4.702  39.024 -18.649
   95    H1*    U   9           H1*        U   9  -2.045  38.672 -18.326
   96    H3     U   9           H3         U   9  -2.661  35.386 -15.277
   97    H5     U   9           H5         U   9  -5.152  38.507 -13.962
   98    H6     U   9           H6         U   9  -4.193  39.884 -15.665
   99   1H5*    C  10          1H5*        C  10  -4.431  45.103 -20.296
  100   2H5*    C  10          2H5*        C  10  -3.622  44.095 -19.072
  101    H4*    C  10           H4*        C  10  -5.069  42.474 -20.979
  102    H3*    C  10           H3*        C  10  -6.561  44.845 -20.083
  103    H2*    C  10           H2*        C  10  -7.401  43.791 -18.173
  104   2HO*    C  10          2HO*        C  10  -9.158  43.446 -19.709
  105    H1*    C  10           H1*        C  10  -6.716  41.074 -19.336
  106   1H4     C  10          1H4         C  10  -6.339  41.042 -12.658
  107   2H4     C  10          2H4         C  10  -7.126  39.542 -13.088
  108    H5     C  10           H5         C  10  -7.649  38.932 -15.407
  109    H6     C  10           H6         C  10  -7.520  39.647 -17.701
  110   1H5*    C  11          1H5*        C  11 -10.623  45.255 -22.807
  111   2H5*    C  11          2H5*        C  11 -11.330  45.366 -21.173
  112    H4*    C  11           H4*        C  11 -12.049  43.465 -22.918
  113    H3*    C  11           H3*        C  11 -11.882  43.367 -19.928
  114    H2*    C  11           H2*        C  11 -11.375  41.091 -19.962
  115   2HO*    C  11          2HO*        C  11 -13.559  40.797 -21.744
  116    H1*    C  11           H1*        C  11 -11.627  40.990 -22.995
  117   1H4     C  11          1H4         C  11  -6.949  36.701 -22.637
  118   2H4     C  11          2H4         C  11  -6.599  37.124 -20.978
  119    H5     C  11           H5         C  11  -7.783  38.909 -19.789
  120    H6     C  11           H6         C  11  -9.494  40.592 -19.963
  121   1H5*    C  12          1H5*        C  12 -15.679  42.386 -21.209
  122   2H5*    C  12          2H5*        C  12 -17.288  43.095 -21.513
  123    H4*    C  12           H4*        C  12 -17.371  42.044 -19.380
  124    H3*    C  12           H3*        C  12 -17.884  44.825 -19.502
  125    H2*    C  12           H2*        C  12 -15.829  45.375 -18.478
  126   2HO*    C  12          2HO*        C  12 -16.215  45.885 -16.333
  127    H1*    C  12           H1*        C  12 -16.305  42.895 -16.801
  128   1H4     C  12          1H4         C  12 -10.256  45.159 -15.170
  129   2H4     C  12          2H4         C  12 -10.027  43.429 -15.068
  130    H5     C  12           H5         C  12 -11.731  41.819 -15.774
  131    H6     C  12           H6         C  12 -13.937  41.568 -16.715
  132   1H5*    U  13          1H5*        U  13 -20.947  40.336 -17.352
  133   2H5*    U  13          2H5*        U  13 -20.763  41.839 -16.407
  134    H4*    U  13           H4*        U  13 -18.373  41.291 -17.925
  135    H3*    U  13           H3*        U  13 -19.484  38.896 -16.610
  136    H2*    U  13           H2*        U  13 -18.205  39.162 -14.695
  137   2HO*    U  13          2HO*        U  13 -16.025  38.760 -14.848
  138    H1*    U  13           H1*        U  13 -16.468  41.274 -15.988
  139    H3     U  13           H3         U  13 -15.378  43.409 -12.135
  140    H5     U  13           H5         U  13 -18.467  40.787 -11.009
  141    H6     U  13           H6         U  13 -18.682  40.164 -13.305
  142   1H5*    C  14          1H5*        C  14 -16.874  40.158 -19.399
  143   2H5*    C  14          2H5*        C  14 -17.110  40.498 -21.128
  144    H4*    C  14           H4*        C  14 -15.094  39.615 -21.471
  145    H3*    C  14           H3*        C  14 -16.348  37.045 -20.486
  146    H2*    C  14           H2*        C  14 -14.186  36.051 -20.821
  147   2HO*    C  14          2HO*        C  14 -12.504  37.285 -21.773
  148    H1*    C  14           H1*        C  14 -12.875  38.185 -19.621
  149   1H4     C  14          1H4         C  14 -13.925  33.801 -15.062
  150   2H4     C  14          2H4         C  14 -15.426  34.598 -14.649
  151    H5     C  14           H5         C  14 -16.345  36.487 -15.951
  152    H6     C  14           H6         C  14 -15.959  37.909 -17.859
  153   1H5*    A  15          1H5*        A  15 -14.522  35.898 -24.120
  154   2H5*    A  15          2H5*        A  15 -15.573  34.774 -25.026
  155    H4*    A  15           H4*        A  15 -13.308  33.856 -24.613
  156    H3*    A  15           H3*        A  15 -15.541  32.449 -23.129
  157    H2*    A  15           H2*        A  15 -13.920  30.787 -22.519
  158   2HO*    A  15          2HO*        A  15 -11.843  30.813 -23.464
  159    H1*    A  15           H1*        A  15 -11.956  32.715 -21.998
  160    H8     A  15           H8         A  15 -14.985  34.219 -20.519
  161   1H6     A  15          1H6         A  15 -14.533  30.238 -15.810
  162   2H6     A  15          2H6         A  15 -15.311  31.694 -16.394
  163    H2     A  15           H2         A  15 -11.769  28.885 -19.064
  164   1H5*    C  16          1H5*        C  16 -13.814  29.403 -25.398
  165   2H5*    C  16          2H5*        C  16 -15.076  28.476 -26.255
  166    H4*    C  16           H4*        C  16 -13.589  26.988 -24.999
  167    H3*    C  16           H3*        C  16 -16.357  27.234 -23.798
  168    H2*    C  16           H2*        C  16 -15.745  25.463 -22.306
  169   2HO*    C  16          2HO*        C  16 -13.737  24.374 -22.601
  170    H1*    C  16           H1*        C  16 -13.214  26.522 -21.841
  171   1H4     C  16          1H4         C  16 -16.679  28.800 -17.023
  172   2H4     C  16          2H4         C  16 -17.626  29.801 -18.103
  173    H5     C  16           H5         C  16 -17.332  29.778 -20.533
  174    H6     C  16           H6         C  16 -16.079  28.802 -22.359
  175   1H5*    G  17          1H5*        G  17 -16.121  23.026 -24.618
  176   2H5*    G  17          2H5*        G  17 -17.748  22.447 -25.062
  177    H4*    G  17           H4*        G  17 -16.749  21.312 -23.062
  178    H3*    G  17           H3*        G  17 -19.258  22.940 -22.580
  179    H2*    G  17           H2*        G  17 -19.290  22.007 -20.370
  180   2HO*    G  17          2HO*        G  17 -17.864  20.319 -19.814
  181    H1*    G  17           H1*        G  17 -16.540  22.302 -20.040
  182    H8     G  17           H8         G  17 -17.837  25.409 -21.768
  183    H1     G  17           H1         G  17 -19.104  25.307 -15.509
  184   1H2     G  17          1H2         G  17 -18.697  23.300 -14.667
  185   2H2     G  17          2H2         G  17 -18.100  21.986 -15.655
  186   1H5*    G  18          1H5*        G  18 -20.172  19.058 -21.152
  187   2H5*    G  18          2H5*        G  18 -21.781  18.584 -21.759
  188    H4*    G  18           H4*        G  18 -21.656  18.255 -19.346
  189    H3*    G  18           H3*        G  18 -23.347  20.654 -20.096
  190    H2*    G  18           H2*        G  18 -23.982  20.771 -17.793
  191   2HO*    G  18          2HO*        G  18 -23.331  19.085 -16.348
  192    H1*    G  18           H1*        G  18 -21.403  20.226 -16.882
  193    H8     G  18           H8         G  18 -21.398  22.645 -19.847
  194    H1     G  18           H1         G  18 -22.572  25.457 -14.217
  195   1H2     G  18          1H2         G  18 -22.902  23.934 -12.651
  196   2H2     G  18          2H2         G  18 -22.822  22.219 -12.989
  197   1H5*    G  19          1H5*        G  19 -25.816  18.591 -17.585
  198   2H5*    G  19          2H5*        G  19 -27.456  18.499 -18.276
  199    H4*    G  19           H4*        G  19 -27.427  19.468 -15.988
  200    H3*    G  19           H3*        G  19 -28.195  21.408 -18.184
  201    H2*    G  19           H2*        G  19 -28.768  22.953 -16.446
  202   2HO*    G  19          2HO*        G  19 -29.013  22.296 -14.332
  203    H1*    G  19           H1*        G  19 -26.544  22.240 -14.872
  204    H8     G  19           H8         G  19 -25.421  22.657 -18.468
  205    H1     G  19           H1         G  19 -26.227  28.226 -15.418
  206   1H2     G  19          1H2         G  19 -27.250  27.903 -13.495
  207   2H2     G  19          2H2         G  19 -27.739  26.313 -12.953
  208   1H5*    U  20          1H5*        U  20 -32.665  22.152 -19.361
  209   2H5*    U  20          2H5*        U  20 -31.318  23.279 -19.665
  210    H4*    U  20           H4*        U  20 -33.253  24.503 -18.845
  211    H3*    U  20           H3*        U  20 -31.010  24.254 -16.830
  212    H2*    U  20           H2*        U  20 -32.268  25.520 -15.288
  213   2HO*    U  20          2HO*        U  20 -34.104  26.732 -15.983
  214    H1*    U  20           H1*        U  20 -34.779  24.551 -16.102
  215    H3     U  20           H3         U  20 -34.724  23.160 -11.815
  216    H5     U  20           H5         U  20 -31.605  20.955 -13.585
  217    H6     U  20           H6         U  20 -31.955  22.214 -15.623
  218   1H5*    G  21          1H5*        G  21 -31.863  28.341 -16.456
  219   2H5*    G  21          2H5*        G  21 -30.333  29.171 -16.071
  220    H4*    G  21           H4*        G  21 -32.167  29.155 -14.265
  221    H3*    G  21           H3*        G  21 -29.355  28.220 -13.719
  222    H2*    G  21           H2*        G  21 -29.919  27.727 -11.468
  223   2HO*    G  21          2HO*        G  21 -31.311  28.997 -10.479
  224    H1*    G  21           H1*        G  21 -32.476  26.784 -12.025
  225    H8     G  21           H8         G  21 -29.888  25.451 -14.496
  226    H1     G  21           H1         G  21 -30.308  22.062  -9.095
  227   1H2     G  21          1H2         G  21 -31.577  23.115  -7.622
  228   2H2     G  21          2H2         G  21 -32.329  24.654  -7.970
  229   1H5*    A  22          1H5*        A  22 -30.381  30.914 -10.730
  230   2H5*    A  22          2H5*        A  22 -29.067  31.991 -10.182
  231    H4*    A  22           H4*        A  22 -30.011  30.648  -8.324
  232    H3*    A  22           H3*        A  22 -27.175  30.063  -9.162
  233    H2*    A  22           H2*        A  22 -26.971  28.432  -7.459
  234   2HO*    A  22          2HO*        A  22 -28.046  29.689  -5.802
  235    H1*    A  22           H1*        A  22 -29.560  27.424  -7.768
  236    H8     A  22           H8         A  22 -27.399  28.249 -10.878
  237   1H6     A  22          1H6         A  22 -25.972  22.238 -10.888
  238   2H6     A  22          2H6         A  22 -25.799  23.756 -11.741
  239    H2     A  22           H2         A  22 -28.441  23.097  -7.256
  240   1H5*    C  23          1H5*        C  23 -23.315  30.541  -6.922
  241   2H5*    C  23          2H5*        C  23 -24.016  30.569  -8.561
  242    H4*    C  23           H4*        C  23 -24.179  28.163  -6.741
  243    H3*    C  23           H3*        C  23 -22.057  28.855  -8.778
  244    H2*    C  23           H2*        C  23 -21.927  26.543  -9.371
  245   2HO*    C  23          2HO*        C  23 -22.990  24.968  -8.161
  246    H1*    C  23           H1*        C  23 -24.617  26.176  -9.472
  247   1H4     C  23          1H4         C  23 -22.874  27.967 -15.355
  248   2H4     C  23          2H4         C  23 -23.130  29.644 -14.925
  249    H5     C  23           H5         C  23 -23.675  30.365 -12.632
  250    H6     C  23           H6         C  23 -24.084  29.603 -10.386
  251   1H5*    C  24          1H5*        C  24 -20.806  25.443  -6.599
  252   2H5*    C  24          2H5*        C  24 -19.050  25.445  -6.286
  253    H4*    C  24           H4*        C  24 -19.864  23.380  -7.435
  254    H3*    C  24           H3*        C  24 -17.969  25.140  -9.011
  255    H2*    C  24           H2*        C  24 -17.897  23.399 -10.663
  256   2HO*    C  24          2HO*        C  24 -18.904  21.398 -10.268
  257    H1*    C  24           H1*        C  24 -20.626  23.018 -10.625
  258   1H4     C  24          1H4         C  24 -19.472  27.310 -15.226
  259   2H4     C  24          2H4         C  24 -19.705  28.600 -14.070
  260    H5     C  24           H5         C  24 -20.031  28.198 -11.668
  261    H6     C  24           H6         C  24 -20.171  26.498  -9.972
  262   1H5*    G  25          1H5*        G  25 -15.859  21.392  -9.244
  263   2H5*    G  25          2H5*        G  25 -14.209  21.770  -8.679
  264    H4*    G  25           H4*        G  25 -14.146  20.613 -10.833
  265    H3*    G  25           H3*        G  25 -13.414  23.549 -11.014
  266    H2*    G  25           H2*        G  25 -12.806  23.150 -13.301
  267   2HO*    G  25          2HO*        G  25 -12.864  21.001 -14.130
  268    H1*    G  25           H1*        G  25 -15.073  21.683 -13.823
  269    H8     G  25           H8         G  25 -15.859  24.514 -11.389
  270    H1     G  25           H1         G  25 -15.759  26.343 -17.515
  271   1H2     G  25          1H2         G  25 -14.946  24.730 -18.784
  272   2H2     G  25          2H2         G  25 -14.444  23.188 -18.126
  273   1H5*    U  26          1H5*        U  26 -10.461  21.810 -13.089
  274   2H5*    U  26          2H5*        U  26  -8.863  22.401 -12.563
  275    H4*    U  26           H4*        U  26  -9.182  22.652 -14.996
  276    H3*    U  26           H3*        U  26  -9.155  25.275 -13.481
  277    H2*    U  26           H2*        U  26  -9.112  26.365 -15.613
  278   2HO*    U  26          2HO*        U  26  -8.806  23.757 -16.758
  279    H1*    U  26           H1*        U  26 -10.961  24.600 -16.737
  280    H3     U  26           H3         U  26 -13.231  28.518 -16.569
  281    H5     U  26           H5         U  26 -13.023  27.292 -12.541
  282    H6     U  26           H6         U  26 -11.580  25.477 -13.233
  283   1H5*    G  27          1H5*        G  27  -6.395  25.536 -16.530
  284   2H5*    G  27          2H5*        G  27  -4.906  26.379 -16.035
  285    H4*    G  27           H4*        G  27  -6.244  27.232 -18.092
  286    H3*    G  27           H3*        G  27  -4.732  28.707 -16.086
  287    H2*    G  27           H2*        G  27  -6.457  30.119 -15.502
  288   2HO*    G  27          2HO*        G  27  -6.020  31.060 -18.151
  289    H1*    G  27           H1*        G  27  -7.924  29.587 -18.108
  290    H8     G  27           H8         G  27  -8.961  28.676 -14.515
  291    H1     G  27           H1         G  27 -12.206  33.581 -17.025
  292   1H2     G  27          1H2         G  27 -11.322  34.176 -18.962
  293   2H2     G  27          2H2         G  27  -9.935  33.357 -19.643
  294   1H5*    G  28          1H5*        G  28  -0.743  30.004 -18.592
  295   2H5*    G  28          2H5*        G  28  -1.998  29.759 -17.352
  296    H4*    G  28           H4*        G  28  -3.035  31.452 -19.428
  297    H3*    G  28           H3*        G  28  -0.258  32.149 -18.553
  298    H2*    G  28           H2*        G  28  -0.792  34.342 -17.836
  299   2HO*    G  28          2HO*        G  28  -2.768  35.312 -18.369
  300    H1*    G  28           H1*        G  28  -3.080  33.790 -16.537
  301    H8     G  28           H8         G  28  -1.905  30.669 -15.442
  302    H1     G  28           H1         G  28   2.251  35.092 -13.433
  303   1H2     G  28          1H2         G  28   1.955  36.984 -14.533
  304   2H2     G  28          2H2         G  28   0.734  37.154 -15.776
  305   1H5*    U  29          1H5*        U  29  -0.764  35.741 -20.317
  306   2H5*    U  29          2H5*        U  29   0.347  35.816 -21.711
  307    H4*    U  29           H4*        U  29   0.619  37.759 -20.215
  308    H3*    U  29           H3*        U  29   2.937  35.818 -20.330
  309    H2*    U  29           H2*        U  29   4.184  37.246 -18.867
  310   2HO*    U  29          2HO*        U  29   3.305  39.271 -18.228
  311    H1*    U  29           H1*        U  29   2.160  37.565 -17.089
  312    H3     U  29           H3         U  29   5.374  34.458 -15.770
  313    H5     U  29           H5         U  29   2.085  32.319 -17.302
  314    H6     U  29           H6         U  29   1.208  34.405 -18.136
  315   1H5*    C  30          1H5*        C  30   4.998  39.565 -21.180
  316   2H5*    C  30          2H5*        C  30   6.214  39.192 -22.432
  317    H4*    C  30           H4*        C  30   7.134  40.170 -20.296
  318    H3*    C  30           H3*        C  30   8.058  37.387 -21.067
  319    H2*    C  30           H2*        C  30   9.660  37.557 -19.277
  320   2HO*    C  30          2HO*        C  30   8.706  40.238 -18.946
  321    H1*    C  30           H1*        C  30   7.787  38.536 -17.501
  322   1H4     C  30          1H4         C  30   7.822  32.193 -16.810
  323   2H4     C  30          2H4         C  30   6.489  32.067 -17.941
  324    H5     C  30           H5         C  30   5.629  33.997 -19.207
  325    H6     C  30           H6         C  30   5.904  36.365 -19.596
  326   1H5*    C  31          1H5*        C  31  11.956  39.628 -21.159
  327   2H5*    C  31          2H5*        C  31  12.937  38.734 -22.354
  328    H4*    C  31           H4*        C  31  13.842  38.885 -19.956
  329    H3*    C  31           H3*        C  31  13.435  36.155 -21.209
  330    H2*    C  31           H2*        C  31  14.619  35.277 -19.311
  331   2HO*    C  31          2HO*        C  31  15.045  38.008 -18.566
  332    H1*    C  31           H1*        C  31  13.217  36.871 -17.528
  333   1H4     C  31          1H4         C  31  10.236  31.218 -17.813
  334   2H4     C  31          2H4         C  31   9.168  31.857 -19.041
  335    H5     C  31           H5         C  31   9.463  34.076 -20.047
  336    H6     C  31           H6         C  31  10.843  36.067 -20.053
  337   1H5*    U  32          1H5*        U  32  17.691  36.183 -20.117
  338   2H5*    U  32          2H5*        U  32  18.499  35.104 -21.287
  339    H4*    U  32           H4*        U  32  18.607  34.520 -18.756
  340    H3*    U  32           H3*        U  32  17.676  32.460 -20.776
  341    H2*    U  32           H2*        U  32  17.761  30.876 -18.981
  342   2HO*    U  32          2HO*        U  32  18.980  32.968 -17.455
  343    H1*    U  32           H1*        U  32  16.653  32.665 -17.147
  344    H3     U  32           H3         U  32  13.917  29.025 -18.143
  345    H5     U  32           H5         U  32  12.780  32.157 -20.715
  346    H6     U  32           H6         U  32  14.760  33.370 -20.011
  347   1H5*    C  33          1H5*        C  33  20.704  30.522 -18.452
  348   2H5*    C  33          2H5*        C  33  21.803  29.741 -19.619
  349    H4*    C  33           H4*        C  33  20.993  28.220 -17.797
  350    H3*    C  33           H3*        C  33  20.110  27.511 -20.605
  351    H2*    C  33           H2*        C  33  19.308  25.440 -19.672
  352   2HO*    C  33          2HO*        C  33  19.744  24.928 -17.493
  353    H1*    C  33           H1*        C  33  18.130  26.718 -17.508
  354   1H4     C  33          1H4         C  33  13.800  25.986 -22.195
  355   2H4     C  33          2H4         C  33  13.725  27.734 -22.253
  356    H5     C  33           H5         C  33  15.272  29.165 -21.020
  357    H6     C  33           H6         C  33  17.185  29.189 -19.526
  358   1H5*    C  34          1H5*        C  34  22.582  23.750 -19.751
  359   2H5*    C  34          2H5*        C  34  23.370  23.560 -21.341
  360    H4*    C  34           H4*        C  34  22.098  21.532 -20.557
  361    H3*    C  34           H3*        C  34  20.926  22.840 -23.035
  362    H2*    C  34           H2*        C  34  19.703  20.762 -23.248
  363   2HO*    C  34          2HO*        C  34  21.514  19.423 -22.415
  364    H1*    C  34           H1*        C  34  19.044  20.839 -20.558
  365   1H4     C  34          1H4         C  34  14.287  23.758 -23.682
  366   2H4     C  34          2H4         C  34  15.171  25.270 -23.646
  367    H5     C  34           H5         C  34  17.469  25.454 -22.787
  368    H6     C  34           H6         C  34  19.311  24.214 -21.827
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1   6.960  14.504 -16.415
    2   2H5*    G   1          2H5*        G   1   8.062  14.948 -17.718
    3    H4*    G   1           H4*        G   1   8.867  13.583 -15.139
    4    H3*    G   1           H3*        G   1   9.141  16.469 -16.013
    5    H2*    G   1           H2*        G   1  11.177  16.584 -14.761
    6   2HO*    G   1          2HO*        G   1  11.754  14.964 -13.319
    7    H1*    G   1           H1*        G   1  12.069  14.099 -15.587
    8    H8     G   1           H8         G   1  10.922  15.079 -18.847
    9    H1     G   1           H1         G   1  15.553  19.068 -16.965
   10   1H2     G   1          1H2         G   1  15.913  18.870 -14.794
   11   2H2     G   1          2H2         G   1  15.003  17.757 -13.796
   12   1H5*    G   2          1H5*        G   2   9.886  16.390 -11.852
   13   2H5*    G   2          2H5*        G   2   9.069  17.747 -11.032
   14    H4*    G   2           H4*        G   2  11.573  17.505 -10.611
   15    H3*    G   2           H3*        G   2  10.440  20.079 -11.729
   16    H2*    G   2           H2*        G   2  12.614  21.045 -11.650
   17   2HO*    G   2          2HO*        G   2  14.343  19.890 -10.640
   18    H1*    G   2           H1*        G   2  13.906  18.826 -12.623
   19    H8     G   2           H8         G   2  10.781  18.917 -14.676
   20    H1     G   2           H1         G   2  14.830  23.591 -16.293
   21   1H2     G   2          1H2         G   2  16.419  23.811 -14.776
   22   2H2     G   2          2H2         G   2  16.497  22.789 -13.355
   23   1H5*    A   3          1H5*        A   3  12.778  21.677  -8.834
   24   2H5*    A   3          2H5*        A   3  11.942  23.033  -8.028
   25    H4*    A   3           H4*        A   3  14.108  23.548  -9.350
   26    H3*    A   3           H3*        A   3  11.540  25.037  -9.929
   27    H2*    A   3           H2*        A   3  12.690  26.358 -11.466
   28   2HO*    A   3          2HO*        A   3  15.034  26.398 -11.481
   29    H1*    A   3           H1*        A   3  14.496  24.256 -12.234
   30    H8     A   3           H8         A   3  11.000  23.047 -12.673
   31   1H6     A   3          1H6         A   3  10.938  26.232 -18.013
   32   2H6     A   3          2H6         A   3  10.092  25.033 -17.056
   33    H2     A   3           H2         A   3  14.544  27.456 -15.660
   34   1H5*    G   4          1H5*        G   4  14.627  28.321  -8.716
   35   2H5*    G   4          2H5*        G   4  13.538  29.576  -8.069
   36    H4*    G   4           H4*        G   4  15.129  30.287  -9.935
   37    H3*    G   4           H3*        G   4  12.155  30.628 -10.416
   38    H2*    G   4           H2*        G   4  12.783  31.897 -12.352
   39   2HO*    G   4          2HO*        G   4  14.983  32.463 -12.685
   40    H1*    G   4           H1*        G   4  14.886  30.132 -12.984
   41    H8     G   4           H8         G   4  11.910  28.011 -12.156
   42    H1     G   4           H1         G   4  11.413  30.813 -17.889
   43   1H2     G   4          1H2         G   4  12.962  32.383 -18.108
   44   2H2     G   4          2H2         G   4  14.120  32.724 -16.845
   45   1H5*    G   5          1H5*        G   5  14.163  34.681 -10.615
   46   2H5*    G   5          2H5*        G   5  12.886  35.875 -10.256
   47    H4*    G   5           H4*        G   5  14.204  36.018 -12.516
   48    H3*    G   5           H3*        G   5  11.175  36.103 -12.456
   49    H2*    G   5           H2*        G   5  11.293  36.651 -14.782
   50   2HO*    G   5          2HO*        G   5  13.269  37.230 -15.742
   51    H1*    G   5           H1*        G   5  13.455  34.889 -15.233
   52    H8     G   5           H8         G   5  11.079  32.761 -13.352
   53    H1     G   5           H1         G   5   8.847  34.035 -19.206
   54   1H2     G   5          1H2         G   5   9.993  35.670 -20.152
   55   2H2     G   5          2H2         G   5  11.320  36.469 -19.334
   56   1H5*    A   6          1H5*        A   6  12.425  39.695 -14.633
   57   2H5*    A   6          2H5*        A   6  11.497  41.017 -13.876
   58    H4*    A   6           H4*        A   6  11.315  41.126 -16.309
   59    H3*    A   6           H3*        A   6   8.760  40.199 -14.967
   60    H2*    A   6           H2*        A   6   7.701  40.319 -17.103
   61   2HO*    A   6          2HO*        A   6   8.843  41.235 -18.890
   62    H1*    A   6           H1*        A   6   9.867  39.235 -18.460
   63    H8     A   6           H8         A   6   9.301  37.347 -15.201
   64   1H6     A   6          1H6         A   6   5.053  34.050 -18.286
   65   2H6     A   6          2H6         A   6   5.972  34.184 -16.801
   66    H2     A   6           H2         A   6   6.335  37.493 -20.871
   67   1H5*    C   7          1H5*        C   7   7.870  43.723 -17.574
   68   2H5*    C   7          2H5*        C   7   6.435  44.526 -16.888
   69    H4*    C   7           H4*        C   7   6.304  43.704 -19.327
   70    H3*    C   7           H3*        C   7   4.212  42.883 -17.292
   71    H2*    C   7           H2*        C   7   3.031  41.782 -19.038
   72   2HO*    C   7          2HO*        C   7   3.581  42.137 -21.217
   73    H1*    C   7           H1*        C   7   5.312  40.835 -20.312
   74   1H4     C   7          1H4         C   7   2.977  35.992 -16.875
   75   2H4     C   7          2H4         C   7   3.776  36.593 -15.441
   76    H5     C   7           H5         C   7   4.980  38.722 -15.390
   77    H6     C   7           H6         C   7   5.649  40.639 -16.705
   78   1H5*    A   8          1H5*        A   8   2.137  44.096 -21.091
   79   2H5*    A   8          2H5*        A   8   0.672  44.931 -20.511
   80    H4*    A   8           H4*        A   8   0.550  42.744 -22.037
   81    H3*    A   8           H3*        A   8  -1.227  43.383 -19.702
   82    H2*    A   8           H2*        A   8  -2.456  41.361 -20.098
   83   2HO*    A   8          2HO*        A   8  -2.085  40.107 -21.954
   84    H1*    A   8           H1*        A   8  -0.195  39.858 -20.630
   85    H8     A   8           H8         A   8   0.430  42.261 -17.807
   86   1H6     A   8          1H6         A   8  -1.906  37.875 -14.096
   87   2H6     A   8          2H6         A   8  -1.059  39.404 -14.139
   88    H2     A   8           H2         A   8  -2.681  36.713 -18.366
   89   1H5*    U   9          1H5*        U   9  -4.763  43.624 -22.348
   90   2H5*    U   9          2H5*        U   9  -3.714  42.738 -21.225
   91    H4*    U   9           H4*        U   9  -5.486  41.292 -23.193
   92    H3*    U   9           H3*        U   9  -6.249  42.344 -20.470
   93    H2*    U   9           H2*        U   9  -7.511  40.375 -20.207
   94   2HO*    U   9          2HO*        U   9  -8.554  40.380 -22.228
   95    H1*    U   9           H1*        U   9  -5.737  38.673 -21.506
   96    H3     U   9           H3         U   9  -5.667  36.998 -17.305
   97    H5     U   9           H5         U   9  -3.782  40.733 -16.953
   98    H6     U   9           H6         U   9  -4.336  41.167 -19.263
   99   1H5*    C  10          1H5*        C  10  -6.956  45.610 -19.479
  100   2H5*    C  10          2H5*        C  10  -6.134  44.038 -19.601
  101    H4*    C  10           H4*        C  10  -7.862  45.107 -17.500
  102    H3*    C  10           H3*        C  10  -5.464  43.757 -17.466
  103    H2*    C  10           H2*        C  10  -6.314  41.672 -18.179
  104   2HO*    C  10          2HO*        C  10  -5.472  41.395 -16.006
  105    H1*    C  10           H1*        C  10  -8.792  42.005 -16.506
  106   1H4     C  10          1H4         C  10 -10.806  38.146 -21.454
  107   2H4     C  10          2H4         C  10  -9.870  36.987 -20.540
  108    H5     C  10           H5         C  10  -8.463  37.619 -18.639
  109    H6     C  10           H6         C  10  -7.711  39.443 -17.277
  110   1H5*    C  11          1H5*        C  11  -5.678  41.877 -12.457
  111   2H5*    C  11          2H5*        C  11  -6.628  41.908 -13.966
  112    H4*    C  11           H4*        C  11  -7.505  43.292 -11.449
  113    H3*    C  11           H3*        C  11  -7.471  40.458 -11.715
  114    H2*    C  11           H2*        C  11  -9.184  40.316 -13.285
  115   2HO*    C  11          2HO*        C  11 -11.267  40.859 -11.754
  116    H1*    C  11           H1*        C  11 -10.521  42.782 -12.177
  117   1H4     C  11          1H4         C  11 -13.389  43.172 -17.858
  118   2H4     C  11          2H4         C  11 -12.630  41.686 -18.380
  119    H5     C  11           H5         C  11 -10.984  40.488 -17.018
  120    H6     C  11           H6         C  11  -9.762  40.498 -14.938
  121   1H5*    C  12          1H5*        C  12 -11.191  41.599  -9.887
  122   2H5*    C  12          2H5*        C  12 -12.087  42.626  -8.740
  123    H4*    C  12           H4*        C  12 -12.538  40.687  -7.702
  124    H3*    C  12           H3*        C  12 -10.366  41.684  -6.336
  125    H2*    C  12           H2*        C  12  -8.910  40.469  -7.841
  126   2HO*    C  12          2HO*        C  12  -8.238  38.566  -6.385
  127    H1*    C  12           H1*        C  12 -10.750  38.130  -7.205
  128   1H4     C  12          1H4         C  12  -6.213  35.144 -10.758
  129   2H4     C  12          2H4         C  12  -7.115  35.659 -12.164
  130    H5     C  12           H5         C  12  -9.014  37.199 -12.030
  131    H6     C  12           H6         C  12 -10.381  38.506 -10.532
  132   1H5*    U  13          1H5*        U  13 -13.922  37.909  -6.340
  133   2H5*    U  13          2H5*        U  13 -12.568  38.669  -7.198
  134    H4*    U  13           H4*        U  13 -14.020  39.486  -8.921
  135    H3*    U  13           H3*        U  13 -16.071  39.818  -7.363
  136    H2*    U  13           H2*        U  13 -16.024  37.619  -6.434
  137   2HO*    U  13          2HO*        U  13 -17.964  37.636  -8.492
  138    H1*    U  13           H1*        U  13 -16.041  36.258  -9.071
  139    H3     U  13           H3         U  13 -12.154  33.728  -7.284
  140    H5     U  13           H5         U  13 -15.567  33.753  -4.833
  141    H6     U  13           H6         U  13 -16.447  35.517  -6.188
  142   1H5*    C  14          1H5*        C  14 -14.505  40.900 -10.102
  143   2H5*    C  14          2H5*        C  14 -14.810  42.436 -10.949
  144    H4*    C  14           H4*        C  14 -13.800  41.639 -12.770
  145    H3*    C  14           H3*        C  14 -15.644  39.241 -12.602
  146    H2*    C  14           H2*        C  14 -14.387  38.381 -14.457
  147   2HO*    C  14          2HO*        C  14 -12.816  39.724 -15.473
  148    H1*    C  14           H1*        C  14 -11.957  39.271 -13.359
  149   1H4     C  14          1H4         C  14 -12.060  33.121 -11.685
  150   2H4     C  14          2H4         C  14 -13.579  33.297 -10.845
  151    H5     C  14           H5         C  14 -14.821  35.437 -10.760
  152    H6     C  14           H6         C  14 -14.810  37.743 -11.432
  153   1H5*    A  15          1H5*        A  15 -15.541  40.685 -16.906
  154   2H5*    A  15          2H5*        A  15 -16.867  39.846 -17.756
  155    H4*    A  15           H4*        A  15 -14.326  39.395 -18.379
  156    H3*    A  15           H3*        A  15 -16.372  37.184 -18.048
  157    H2*    A  15           H2*        A  15 -14.667  35.665 -18.820
  158   2HO*    A  15          2HO*        A  15 -12.666  36.537 -19.616
  159    H1*    A  15           H1*        A  15 -12.656  36.973 -17.330
  160    H8     A  15           H8         A  15 -15.587  36.775 -15.079
  161   1H6     A  15          1H6         A  15 -14.186  30.853 -14.015
  162   2H6     A  15          2H6         A  15 -15.172  32.204 -13.510
  163    H2     A  15           H2         A  15 -11.724  32.304 -17.472
  164   1H5*    C  16          1H5*        C  16 -15.086  36.453 -21.994
  165   2H5*    C  16          2H5*        C  16 -16.492  36.014 -23.004
  166    H4*    C  16           H4*        C  16 -14.697  34.270 -22.933
  167    H3*    C  16           H3*        C  16 -17.387  33.523 -21.763
  168    H2*    C  16           H2*        C  16 -16.566  31.295 -21.514
  169   2HO*    C  16          2HO*        C  16 -14.526  30.722 -22.409
  170    H1*    C  16           H1*        C  16 -14.082  32.114 -20.595
  171   1H4     C  16          1H4         C  16 -17.270  31.118 -15.196
  172   2H4     C  16          2H4         C  16 -18.459  32.339 -15.593
  173    H5     C  16           H5         C  16 -18.432  33.583 -17.701
  174    H6     C  16           H6         C  16 -17.245  33.899 -19.789
  175   1H5*    G  17          1H5*        G  17 -16.559  30.474 -24.621
  176   2H5*    G  17          2H5*        G  17 -18.091  29.833 -25.270
  177    H4*    G  17           H4*        G  17 -16.517  28.232 -23.974
  178    H3*    G  17           H3*        G  17 -19.438  28.501 -23.225
  179    H2*    G  17           H2*        G  17 -19.105  26.682 -21.703
  180   2HO*    G  17          2HO*        G  17 -17.148  25.493 -21.747
  181    H1*    G  17           H1*        G  17 -16.605  27.616 -20.869
  182    H8     G  17           H8         G  17 -18.890  30.607 -21.044
  183    H1     G  17           H1         G  17 -20.001  26.941 -15.930
  184   1H2     G  17          1H2         G  17 -18.957  24.999 -16.128
  185   2H2     G  17          2H2         G  17 -17.969  24.616 -17.518
  186   1H5*    G  18          1H5*        G  18 -18.817  24.411 -23.679
  187   2H5*    G  18          2H5*        G  18 -20.074  23.738 -24.752
  188    H4*    G  18           H4*        G  18 -19.928  22.412 -22.720
  189    H3*    G  18           H3*        G  18 -22.388  24.177 -22.779
  190    H2*    G  18           H2*        G  18 -23.106  23.096 -20.786
  191   2HO*    G  18          2HO*        G  18 -21.981  21.206 -20.037
  192    H1*    G  18           H1*        G  18 -20.513  22.932 -19.707
  193    H8     G  18           H8         G  18 -21.334  26.371 -21.186
  194    H1     G  18           H1         G  18 -23.477  25.533 -15.205
  195   1H2     G  18          1H2         G  18 -23.255  23.420 -14.598
  196   2H2     G  18          2H2         G  18 -22.565  22.212 -15.661
  197   1H5*    G  19          1H5*        G  19 -26.167  23.743 -22.720
  198   2H5*    G  19          2H5*        G  19 -24.564  24.091 -22.020
  199    H4*    G  19           H4*        G  19 -25.659  21.872 -20.606
  200    H3*    G  19           H3*        G  19 -27.569  24.215 -20.847
  201    H2*    G  19           H2*        G  19 -28.213  23.777 -18.581
  202   2HO*    G  19          2HO*        G  19 -27.847  21.856 -17.647
  203    H1*    G  19           H1*        G  19 -25.590  23.394 -17.749
  204    H8     G  19           H8         G  19 -25.167  26.265 -20.036
  205    H1     G  19           H1         G  19 -28.390  27.951 -14.778
  206   1H2     G  19          1H2         G  19 -29.039  26.159 -13.670
  207   2H2     G  19          2H2         G  19 -28.686  24.538 -14.226
  208   1H5*    U  20          1H5*        U  20 -30.508  24.779 -20.921
  209   2H5*    U  20          2H5*        U  20 -30.083  23.405 -19.870
  210    H4*    U  20           H4*        U  20 -32.809  24.132 -20.966
  211    H3*    U  20           H3*        U  20 -31.680  23.948 -18.167
  212    H2*    U  20           H2*        U  20 -33.835  23.304 -17.381
  213   2HO*    U  20          2HO*        U  20 -34.985  24.950 -18.595
  214    H1*    U  20           H1*        U  20 -34.486  21.841 -19.734
  215    H3     U  20           H3         U  20 -34.254  19.496 -15.583
  216    H5     U  20           H5         U  20 -30.782  18.706 -17.839
  217    H6     U  20           H6         U  20 -31.429  20.503 -19.340
  218   1H5*    G  21          1H5*        G  21 -33.671  26.529 -16.659
  219   2H5*    G  21          2H5*        G  21 -32.800  27.652 -15.583
  220    H4*    G  21           H4*        G  21 -33.993  25.776 -14.404
  221    H3*    G  21           H3*        G  21 -30.991  25.967 -14.149
  222    H2*    G  21           H2*        G  21 -31.017  24.114 -12.665
  223   2HO*    G  21          2HO*        G  21 -32.709  24.630 -11.298
  224    H1*    G  21           H1*        G  21 -33.107  22.780 -13.995
  225    H8     G  21           H8         G  21 -30.297  24.125 -16.237
  226    H1     G  21           H1         G  21 -29.290  18.222 -14.002
  227   1H2     G  21          1H2         G  21 -30.827  17.694 -12.503
  228   2H2     G  21          2H2         G  21 -32.104  18.796 -12.049
  229   1H5*    A  22          1H5*        A  22 -32.637  26.456 -10.126
  230   2H5*    A  22          2H5*        A  22 -31.574  27.407  -9.050
  231    H4*    A  22           H4*        A  22 -31.993  25.127  -8.180
  232    H3*    A  22           H3*        A  22 -29.164  25.704  -9.087
  233    H2*    A  22           H2*        A  22 -28.526  23.537  -8.257
  234   2HO*    A  22          2HO*        A  22 -29.863  23.630  -6.331
  235    H1*    A  22           H1*        A  22 -30.752  22.277  -9.282
  236    H8     A  22           H8         A  22 -29.081  25.045 -11.424
  237   1H6     A  22          1H6         A  22 -25.995  20.437 -14.134
  238   2H6     A  22          2H6         A  22 -26.312  22.157 -14.149
  239    H2     A  22           H2         A  22 -28.400  18.731 -10.767
  240   1H5*    C  23          1H5*        C  23 -25.355  25.801  -6.485
  241   2H5*    C  23          2H5*        C  23 -26.016  26.565  -7.955
  242    H4*    C  23           H4*        C  23 -25.702  23.576  -7.634
  243    H3*    C  23           H3*        C  23 -23.766  25.581  -8.798
  244    H2*    C  23           H2*        C  23 -23.163  23.981 -10.469
  245   2HO*    C  23          2HO*        C  23 -23.925  21.846 -10.356
  246    H1*    C  23           H1*        C  23 -25.723  23.244 -11.025
  247   1H4     C  23          1H4         C  23 -24.399  28.072 -14.989
  248   2H4     C  23          2H4         C  23 -25.063  29.202 -13.830
  249    H5     C  23           H5         C  23 -25.777  28.531 -11.575
  250    H6     C  23           H6         C  23 -25.990  26.671 -10.054
  251   1H5*    C  24          1H5*        C  24 -21.759  21.892  -8.618
  252   2H5*    C  24          2H5*        C  24 -20.073  22.081  -8.066
  253    H4*    C  24           H4*        C  24 -20.285  20.871 -10.241
  254    H3*    C  24           H3*        C  24 -18.866  23.545 -10.290
  255    H2*    C  24           H2*        C  24 -18.327  23.136 -12.586
  256   2HO*    C  24          2HO*        C  24 -18.772  21.095 -13.525
  257    H1*    C  24           H1*        C  24 -20.837  22.154 -13.211
  258   1H4     C  24          1H4         C  24 -20.879  28.378 -14.693
  259   2H4     C  24          2H4         C  24 -21.533  28.733 -13.112
  260    H5     C  24           H5         C  24 -21.797  27.031 -11.359
  261    H6     C  24           H6         C  24 -21.463  24.709 -10.824
  262   1H5*    G  25          1H5*        G  25 -16.274  20.799 -12.108
  263   2H5*    G  25          2H5*        G  25 -14.571  21.087 -11.660
  264    H4*    G  25           H4*        G  25 -15.128  21.098 -14.155
  265    H3*    G  25           H3*        G  25 -13.802  23.500 -12.878
  266    H2*    G  25           H2*        G  25 -13.608  24.468 -15.055
  267   2HO*    G  25          2HO*        G  25 -14.079  23.239 -16.914
  268    H1*    G  25           H1*        G  25 -16.146  23.698 -15.850
  269    H8     G  25           H8         G  25 -16.312  24.834 -12.239
  270    H1     G  25           H1         G  25 -16.208  29.688 -16.395
  271   1H2     G  25          1H2         G  25 -15.700  28.974 -18.418
  272   2H2     G  25          2H2         G  25 -15.401  27.281 -18.757
  273   1H5*    U  26          1H5*        U  26 -11.519  22.257 -16.303
  274   2H5*    U  26          2H5*        U  26  -9.794  22.669 -16.114
  275    H4*    U  26           H4*        U  26 -11.056  23.678 -18.120
  276    H3*    U  26           H3*        U  26  -9.573  25.464 -16.176
  277    H2*    U  26           H2*        U  26 -10.045  27.296 -17.646
  278   2HO*    U  26          2HO*        U  26 -11.056  26.876 -19.685
  279    H1*    U  26           H1*        U  26 -12.652  26.501 -18.100
  280    H3     U  26           H3         U  26 -13.220  30.202 -15.582
  281    H5     U  26           H5         U  26 -11.728  27.360 -12.848
  282    H6     U  26           H6         U  26 -11.400  25.842 -14.710
  283   1H5*    G  27          1H5*        G  27  -8.516  26.903 -19.638
  284   2H5*    G  27          2H5*        G  27  -6.753  27.072 -19.818
  285    H4*    G  27           H4*        G  27  -8.214  29.156 -20.202
  286    H3*    G  27           H3*        G  27  -5.612  28.960 -18.966
  287    H2*    G  27           H2*        G  27  -6.299  29.908 -16.939
  288   2HO*    G  27          2HO*        G  27  -6.425  32.224 -18.587
  289    H1*    G  27           H1*        G  27  -8.608  31.309 -18.323
  290    H8     G  27           H8         G  27  -8.429  28.691 -15.476
  291    H1     G  27           H1         G  27 -10.739  34.391 -13.690
  292   1H2     G  27          1H2         G  27 -10.574  35.848 -15.335
  293   2H2     G  27          2H2         G  27  -9.906  35.425 -16.898
  294   1H5*    G  28          1H5*        G  28  -3.499  30.060 -22.491
  295   2H5*    G  28          2H5*        G  28  -3.895  31.154 -21.138
  296    H4*    G  28           H4*        G  28  -4.002  32.338 -23.847
  297    H3*    G  28           H3*        G  28  -1.396  31.446 -22.594
  298    H2*    G  28           H2*        G  28  -0.374  33.457 -23.391
  299   2HO*    G  28          2HO*        G  28  -1.544  34.866 -24.772
  300    H1*    G  28           H1*        G  28  -2.453  35.072 -22.613
  301    H8     G  28           H8         G  28  -1.961  32.227 -20.072
  302    H1     G  28           H1         G  28   1.980  37.192 -19.255
  303   1H2     G  28          1H2         G  28   1.846  38.584 -20.961
  304   2H2     G  28          2H2         G  28   0.770  38.302 -22.312
  305   1H5*    U  29          1H5*        U  29  -0.269  32.818 -26.291
  306   2H5*    U  29          2H5*        U  29   0.782  31.643 -27.127
  307    H4*    U  29           H4*        U  29   1.821  33.865 -27.044
  308    H3*    U  29           H3*        U  29   3.144  31.813 -25.252
  309    H2*    U  29           H2*        U  29   4.853  33.418 -24.827
  310   2HO*    U  29          2HO*        U  29   4.939  35.364 -26.027
  311    H1*    U  29           H1*        U  29   3.071  35.539 -24.592
  312    H3     U  29           H3         U  29   4.775  34.854 -20.420
  313    H5     U  29           H5         U  29   1.870  31.841 -20.891
  314    H6     U  29           H6         U  29   1.649  32.503 -23.207
  315   1H5*    C  30          1H5*        C  30   6.200  33.395 -28.151
  316   2H5*    C  30          2H5*        C  30   7.509  32.186 -28.265
  317    H4*    C  30           H4*        C  30   8.108  34.569 -27.464
  318    H3*    C  30           H3*        C  30   8.872  32.152 -25.807
  319    H2*    C  30           H2*        C  30  10.109  33.646 -24.399
  320   2HO*    C  30          2HO*        C  30  10.417  35.824 -25.015
  321    H1*    C  30           H1*        C  30   8.115  35.609 -24.445
  322   1H4     C  30          1H4         C  30   7.197  32.233 -19.079
  323   2H4     C  30          2H4         C  30   6.210  31.096 -19.965
  324    H5     C  30           H5         C  30   5.939  31.181 -22.396
  325    H6     C  30           H6         C  30   6.552  32.372 -24.399
  326   1H5*    C  31          1H5*        C  31  12.620  34.168 -26.561
  327   2H5*    C  31          2H5*        C  31  13.942  32.975 -26.432
  328    H4*    C  31           H4*        C  31  13.791  34.944 -24.714
  329    H3*    C  31           H3*        C  31  14.148  32.069 -23.836
  330    H2*    C  31           H2*        C  31  14.437  32.909 -21.612
  331   2HO*    C  31          2HO*        C  31  14.685  35.150 -21.245
  332    H1*    C  31           H1*        C  31  12.419  34.860 -21.928
  333   1H4     C  31          1H4         C  31   9.914  29.876 -18.728
  334   2H4     C  31          2H4         C  31   9.277  29.276 -20.241
  335    H5     C  31           H5         C  31   9.821  30.278 -22.412
  336    H6     C  31           H6         C  31  11.067  32.027 -23.513
  337   1H5*    U  32          1H5*        U  32  17.110  33.686 -21.708
  338   2H5*    U  32          2H5*        U  32  18.646  32.884 -22.137
  339    H4*    U  32           H4*        U  32  18.366  32.850 -19.731
  340    H3*    U  32           H3*        U  32  17.812  30.139 -20.964
  341    H2*    U  32           H2*        U  32  17.668  29.271 -18.745
  342   2HO*    U  32          2HO*        U  32  18.254  30.637 -16.957
  343    H1*    U  32           H1*        U  32  16.326  31.538 -17.767
  344    H3     U  32           H3         U  32  13.640  27.807 -17.501
  345    H5     U  32           H5         U  32  13.013  29.399 -21.340
  346    H6     U  32           H6         U  32  14.887  30.892 -20.955
  347   1H5*    C  33          1H5*        C  33  20.833  29.699 -17.974
  348   2H5*    C  33          2H5*        C  33  22.120  28.611 -18.559
  349    H4*    C  33           H4*        C  33  21.220  28.034 -16.287
  350    H3*    C  33           H3*        C  33  20.819  25.996 -18.489
  351    H2*    C  33           H2*        C  33  19.952  24.512 -16.843
  352   2HO*    C  33          2HO*        C  33  20.206  24.990 -14.609
  353    H1*    C  33           H1*        C  33  18.686  26.544 -15.379
  354   1H4     C  33          1H4         C  33  13.777  24.111 -18.593
  355   2H4     C  33          2H4         C  33  14.720  23.947 -20.056
  356    H5     C  33           H5         C  33  17.067  24.630 -20.208
  357    H6     C  33           H6         C  33  18.916  25.607 -18.988
  358   1H5*    C  34          1H5*        C  34  22.843  24.313 -14.999
  359   2H5*    C  34          2H5*        C  34  23.848  22.910 -15.448
  360    H4*    C  34           H4*        C  34  21.937  22.609 -13.685
  361    H3*    C  34           H3*        C  34  22.231  20.745 -16.054
  362    H2*    C  34           H2*        C  34  20.501  19.418 -15.089
  363   2HO*    C  34          2HO*        C  34  19.801  19.787 -12.954
  364    H1*    C  34           H1*        C  34  19.012  21.655 -14.242
  365   1H4     C  34          1H4         C  34  16.315  19.515 -19.629
  366   2H4     C  34          2H4         C  34  17.397  20.518 -20.570
  367    H5     C  34           H5         C  34  19.245  21.795 -19.560
  368    H6     C  34           H6         C  34  20.339  22.352 -17.497
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1   0.810  17.307 -10.144
    2   2H5*    G   1          2H5*        G   1   1.943  17.066 -11.473
    3    H4*    G   1           H4*        G   1   2.576  16.669  -8.541
    4    H3*    G   1           H3*        G   1   3.253  18.949 -10.415
    5    H2*    G   1           H2*        G   1   5.309  19.239  -9.208
    6   2HO*    G   1          2HO*        G   1   5.705  18.023  -7.320
    7    H1*    G   1           H1*        G   1   5.909  16.580  -9.209
    8    H8     G   1           H8         G   1   4.302  16.753 -12.509
    9    H1     G   1           H1         G   1   9.796  20.027 -12.507
   10   1H2     G   1          1H2         G   1  10.506  20.352 -10.437
   11   2H2     G   1          2H2         G   1   9.624  19.756  -9.048
   12   1H5*    G   2          1H5*        G   2   4.231  20.515  -6.718
   13   2H5*    G   2          2H5*        G   2   3.394  22.074  -6.492
   14    H4*    G   2           H4*        G   2   5.785  22.281  -6.000
   15    H3*    G   2           H3*        G   2   4.956  23.649  -8.574
   16    H2*    G   2           H2*        G   2   7.164  24.576  -8.664
   17   2HO*    G   2          2HO*        G   2   8.606  24.262  -6.913
   18    H1*    G   2           H1*        G   2   8.374  22.188  -8.008
   19    H8     G   2           H8         G   2   5.662  21.014 -10.233
   20    H1     G   2           H1         G   2  10.174  24.201 -13.458
   21   1H2     G   2          1H2         G   2  11.500  25.264 -12.044
   22   2H2     G   2          2H2         G   2  11.269  25.199 -10.313
   23   1H5*    A   3          1H5*        A   3   6.989  26.546  -6.139
   24   2H5*    A   3          2H5*        A   3   6.275  28.161  -6.394
   25    H4*    A   3           H4*        A   3   8.810  27.853  -6.822
   26    H3*    A   3           H3*        A   3   7.030  29.032  -8.969
   27    H2*    A   3           H2*        A   3   9.015  29.517 -10.188
   28   2HO*    A   3          2HO*        A   3  11.071  29.319  -9.195
   29    H1*    A   3           H1*        A   3  10.262  27.082  -9.403
   30    H8     A   3           H8         A   3   7.029  25.807 -10.480
   31   1H6     A   3          1H6         A   3   8.603  26.854 -16.372
   32   2H6     A   3          2H6         A   3   7.478  26.050 -15.304
   33    H2     A   3           H2         A   3  11.497  29.054 -13.736
   34   1H5*    G   4          1H5*        G   4  10.065  32.120  -8.052
   35   2H5*    G   4          2H5*        G   4   9.287  33.709  -8.285
   36    H4*    G   4           H4*        G   4  11.436  33.252  -9.605
   37    H3*    G   4           H3*        G   4   8.910  34.006 -11.099
   38    H2*    G   4           H2*        G   4  10.270  34.172 -13.069
   39   2HO*    G   4          2HO*        G   4  12.568  33.957 -12.873
   40    H1*    G   4           H1*        G   4  11.697  31.850 -12.463
   41    H8     G   4           H8         G   4   8.114  31.109 -11.621
   42    H1     G   4           H1         G   4   9.221  31.084 -17.925
   43   1H2     G   4          1H2         G   4  11.215  31.940 -18.358
   44   2H2     G   4          2H2         G   4  12.267  32.529 -17.090
   45   1H5*    G   5          1H5*        G   5  11.888  36.900 -12.199
   46   2H5*    G   5          2H5*        G   5  11.151  38.525 -12.225
   47    H4*    G   5           H4*        G   5  12.426  37.825 -14.317
   48    H3*    G   5           H3*        G   5   9.501  38.572 -14.565
   49    H2*    G   5           H2*        G   5   9.778  38.435 -16.939
   50   2HO*    G   5          2HO*        G   5  11.876  38.128 -17.829
   51    H1*    G   5           H1*        G   5  11.303  36.120 -16.808
   52    H8     G   5           H8         G   5   8.217  36.616 -14.499
   53    H1     G   5           H1         G   5   7.103  33.404 -19.915
   54   1H2     G   5          1H2         G   5   8.904  33.397 -21.189
   55   2H2     G   5          2H2         G   5  10.397  34.166 -20.692
   56   1H5*    A   6          1H5*        A   6  11.748  40.926 -17.379
   57   2H5*    A   6          2H5*        A   6  10.914  42.472 -17.687
   58    H4*    A   6           H4*        A   6  11.284  40.968 -19.709
   59    H3*    A   6           H3*        A   6   8.454  41.746 -18.972
   60    H2*    A   6           H2*        A   6   7.744  40.717 -21.015
   61   2HO*    A   6          2HO*        A   6   9.343  39.991 -22.529
   62    H1*    A   6           H1*        A   6   9.524  38.569 -20.747
   63    H8     A   6           H8         A   6   7.846  39.391 -17.427
   64   1H6     A   6          1H6         A   6   3.157  35.795 -19.267
   65   2H6     A   6          2H6         A   6   3.847  36.687 -17.928
   66    H2     A   6           H2         A   6   5.922  36.357 -22.734
   67   1H5*    C   7          1H5*        C   7   8.358  42.433 -22.756
   68   2H5*    C   7          2H5*        C   7   7.876  44.108 -23.116
   69    H4*    C   7           H4*        C   7   6.436  42.655 -24.357
   70    H3*    C   7           H3*        C   7   5.058  43.766 -21.896
   71    H2*    C   7           H2*        C   7   3.072  42.668 -22.560
   72   2HO*    C   7          2HO*        C   7   2.823  41.857 -24.668
   73    H1*    C   7           H1*        C   7   4.346  40.407 -23.591
   74   1H4     C   7          1H4         C   7   2.055  38.453 -18.055
   75   2H4     C   7          2H4         C   7   3.107  39.523 -17.150
   76    H5     C   7           H5         C   7   4.631  41.127 -18.239
   77    H6     C   7           H6         C   7   5.442  41.922 -20.404
   78   1H5*    A   8          1H5*        A   8   1.580  46.095 -21.667
   79   2H5*    A   8          2H5*        A   8   2.244  44.461 -21.392
   80    H4*    A   8           H4*        A   8   0.026  44.887 -23.373
   81    H3*    A   8           H3*        A   8  -0.313  44.559 -20.388
   82    H2*    A   8           H2*        A   8  -2.337  43.343 -20.870
   83   2HO*    A   8          2HO*        A   8  -3.033  43.126 -23.033
   84    H1*    A   8           H1*        A   8  -1.110  41.766 -22.704
   85    H8     A   8           H8         A   8   1.214  42.990 -19.927
   86   1H6     A   8          1H6         A   8  -0.478  37.840 -16.908
   87   2H6     A   8          2H6         A   8   0.605  39.213 -16.889
   88    H2     A   8           H2         A   8  -2.997  38.250 -20.602
   89   1H5*    U   9          1H5*        U   9  -3.662  45.683 -22.799
   90   2H5*    U   9          2H5*        U   9  -4.641  46.956 -22.032
   91    H4*    U   9           H4*        U   9  -6.099  45.330 -23.054
   92    H3*    U   9           H3*        U   9  -6.028  45.283 -20.037
   93    H2*    U   9           H2*        U   9  -7.349  43.375 -19.986
   94   2HO*    U   9          2HO*        U   9  -8.996  44.569 -21.294
   95    H1*    U   9           H1*        U   9  -6.820  42.486 -22.668
   96    H3     U   9           H3         U   9  -6.233  38.548 -20.589
   97    H5     U   9           H5         U   9  -3.420  41.069 -18.733
   98    H6     U   9           H6         U   9  -4.324  42.915 -20.023
   99   1H5*    C  10          1H5*        C  10  -8.967  44.554 -19.401
  100   2H5*    C  10          2H5*        C  10  -9.826  45.590 -18.239
  101    H4*    C  10           H4*        C  10  -8.798  44.660 -16.427
  102    H3*    C  10           H3*        C  10  -6.348  44.584 -18.000
  103    H2*    C  10           H2*        C  10  -6.475  42.272 -18.400
  104   2HO*    C  10          2HO*        C  10  -4.909  42.448 -16.638
  105    H1*    C  10           H1*        C  10  -8.220  41.944 -15.955
  106   1H4     C  10          1H4         C  10  -9.643  36.295 -18.457
  107   2H4     C  10          2H4         C  10  -9.230  36.831 -20.068
  108    H5     C  10           H5         C  10  -8.459  39.111 -20.548
  109    H6     C  10           H6         C  10  -7.947  41.256 -19.587
  110   1H5*    C  11          1H5*        C  11  -4.030  43.553 -13.137
  111   2H5*    C  11          2H5*        C  11  -5.616  43.263 -13.903
  112    H4*    C  11           H4*        C  11  -5.075  44.979 -11.459
  113    H3*    C  11           H3*        C  11  -5.319  42.291 -11.282
  114    H2*    C  11           H2*        C  11  -7.247  42.169 -12.674
  115   2HO*    C  11          2HO*        C  11  -9.016  41.718 -11.276
  116    H1*    C  11           H1*        C  11  -8.533  44.381 -11.056
  117   1H4     C  11          1H4         C  11 -12.387  45.138 -16.111
  118   2H4     C  11          2H4         C  11 -11.977  43.523 -16.639
  119    H5     C  11           H5         C  11 -10.252  42.168 -15.549
  120    H6     C  11           H6         C  11  -8.605  42.122 -13.787
  121   1H5*    C  12          1H5*        C  12  -6.398  39.289  -8.616
  122   2H5*    C  12          2H5*        C  12  -5.343  40.194  -7.498
  123    H4*    C  12           H4*        C  12  -4.056  38.389  -8.314
  124    H3*    C  12           H3*        C  12  -3.129  40.977  -8.900
  125    H2*    C  12           H2*        C  12  -3.739  40.843 -11.207
  126   2HO*    C  12          2HO*        C  12  -1.399  41.046 -11.086
  127    H1*    C  12           H1*        C  12  -2.883  37.944 -11.148
  128   1H4     C  12          1H4         C  12  -5.282  38.088 -17.059
  129   2H4     C  12          2H4         C  12  -6.815  38.670 -16.449
  130    H5     C  12           H5         C  12  -7.181  39.239 -14.085
  131    H6     C  12           H6         C  12  -6.134  39.345 -11.908
  132   1H5*    U  13          1H5*        U  13  -0.686  35.851  -7.716
  133   2H5*    U  13          2H5*        U  13  -1.000  37.079  -8.970
  134    H4*    U  13           H4*        U  13  -3.290  36.960  -7.305
  135    H3*    U  13           H3*        U  13  -2.110  34.287  -7.573
  136    H2*    U  13           H2*        U  13  -3.242  33.794  -9.525
  137   2HO*    U  13          2HO*        U  13  -5.547  34.073  -7.906
  138    H1*    U  13           H1*        U  13  -5.199  36.050  -8.992
  139    H3     U  13           H3         U  13  -6.895  36.412 -13.133
  140    H5     U  13           H5         U  13  -3.360  34.238 -13.778
  141    H6     U  13           H6         U  13  -2.863  34.470 -11.414
  142   1H5*    C  14          1H5*        C  14  -7.670  36.372  -5.123
  143   2H5*    C  14          2H5*        C  14  -8.248  34.684  -5.089
  144    H4*    C  14           H4*        C  14  -7.751  36.499  -7.404
  145    H3*    C  14           H3*        C  14  -9.741  34.266  -6.849
  146    H2*    C  14           H2*        C  14  -9.867  33.849  -9.179
  147   2HO*    C  14          2HO*        C  14  -9.353  35.575 -10.673
  148    H1*    C  14           H1*        C  14  -7.315  35.154  -9.721
  149   1H4     C  14          1H4         C  14  -7.076  28.530 -10.505
  150   2H4     C  14          2H4         C  14  -5.801  29.178 -11.512
  151    H5     C  14           H5         C  14  -5.270  31.581 -11.624
  152    H6     C  14           H6         C  14  -5.877  33.738 -10.802
  153   1H5*    A  15          1H5*        A  15 -12.459  37.589  -9.101
  154   2H5*    A  15          2H5*        A  15 -13.965  36.675  -9.403
  155    H4*    A  15           H4*        A  15 -11.779  37.166 -11.187
  156    H3*    A  15           H3*        A  15 -14.193  35.356 -11.491
  157    H2*    A  15           H2*        A  15 -13.245  34.755 -13.626
  158   2HO*    A  15          2HO*        A  15 -11.537  35.963 -14.509
  159    H1*    A  15           H1*        A  15 -10.604  34.802 -12.551
  160    H8     A  15           H8         A  15 -12.678  32.894 -10.135
  161   1H6     A  15          1H6         A  15 -12.273  28.025 -13.925
  162   2H6     A  15          2H6         A  15 -12.742  28.572 -12.332
  163    H2     A  15           H2         A  15 -10.767  31.663 -16.094
  164   1H5*    C  16          1H5*        C  16 -13.983  37.514 -15.116
  165   2H5*    C  16          2H5*        C  16 -15.626  37.958 -15.651
  166    H4*    C  16           H4*        C  16 -14.343  36.739 -17.391
  167    H3*    C  16           H3*        C  16 -16.695  35.207 -16.252
  168    H2*    C  16           H2*        C  16 -16.326  33.611 -17.999
  169   2HO*    C  16          2HO*        C  16 -14.910  34.056 -19.700
  170    H1*    C  16           H1*        C  16 -13.547  33.711 -17.700
  171   1H4     C  16          1H4         C  16 -15.202  28.611 -14.289
  172   2H4     C  16          2H4         C  16 -16.115  29.586 -13.159
  173    H5     C  16           H5         C  16 -16.395  32.004 -13.418
  174    H6     C  16           H6         C  16 -15.832  33.922 -14.790
  175   1H5*    G  17          1H5*        G  17 -17.532  35.446 -20.463
  176   2H5*    G  17          2H5*        G  17 -19.298  35.457 -20.696
  177    H4*    G  17           H4*        G  17 -18.026  33.553 -21.804
  178    H3*    G  17           H3*        G  17 -20.162  32.852 -19.774
  179    H2*    G  17           H2*        G  17 -19.874  30.574 -20.452
  180   2HO*    G  17          2HO*        G  17 -18.637  30.061 -22.290
  181    H1*    G  17           H1*        G  17 -17.090  30.809 -20.621
  182    H8     G  17           H8         G  17 -18.018  32.528 -17.436
  183    H1     G  17           H1         G  17 -18.522  26.172 -16.989
  184   1H2     G  17          1H2         G  17 -18.426  25.246 -19.000
  185   2H2     G  17          2H2         G  17 -18.221  26.202 -20.450
  186   1H5*    G  18          1H5*        G  18 -21.304  30.805 -23.425
  187   2H5*    G  18          2H5*        G  18 -23.031  31.171 -23.681
  188    H4*    G  18           H4*        G  18 -22.670  28.785 -23.920
  189    H3*    G  18           H3*        G  18 -23.991  29.452 -21.275
  190    H2*    G  18           H2*        G  18 -24.290  27.095 -20.975
  191   2HO*    G  18          2HO*        G  18 -23.878  25.648 -22.658
  192    H1*    G  18           H1*        G  18 -21.734  26.493 -21.859
  193    H8     G  18           H8         G  18 -21.713  29.665 -19.738
  194    H1     G  18           H1         G  18 -21.773  24.271 -16.293
  195   1H2     G  18          1H2         G  18 -22.153  22.530 -17.600
  196   2H2     G  18          2H2         G  18 -22.377  22.694 -19.328
  197   1H5*    G  19          1H5*        G  19 -26.471  26.547 -22.849
  198   2H5*    G  19          2H5*        G  19 -28.175  27.006 -22.593
  199    H4*    G  19           H4*        G  19 -27.593  24.759 -21.666
  200    H3*    G  19           H3*        G  19 -28.357  26.868 -19.629
  201    H2*    G  19           H2*        G  19 -28.366  25.105 -17.998
  202   2HO*    G  19          2HO*        G  19 -28.519  23.013 -18.573
  203    H1*    G  19           H1*        G  19 -26.020  23.963 -19.004
  204    H8     G  19           H8         G  19 -25.552  27.719 -19.011
  205    H1     G  19           H1         G  19 -24.942  25.132 -13.190
  206   1H2     G  19          1H2         G  19 -25.625  23.038 -13.208
  207   2H2     G  19          2H2         G  19 -26.234  22.267 -14.655
  208   1H5*    U  20          1H5*        U  20 -32.933  27.364 -18.329
  209   2H5*    U  20          2H5*        U  20 -31.516  28.072 -17.512
  210    H4*    U  20           H4*        U  20 -32.965  27.094 -15.847
  211    H3*    U  20           H3*        U  20 -30.500  25.423 -16.381
  212    H2*    U  20           H2*        U  20 -31.209  23.880 -14.747
  213   2HO*    U  20          2HO*        U  20 -32.773  24.426 -13.192
  214    H1*    U  20           H1*        U  20 -33.965  24.207 -15.226
  215    H3     U  20           H3         U  20 -33.520  19.826 -16.186
  216    H5     U  20           H5         U  20 -31.171  21.699 -19.135
  217    H6     U  20           H6         U  20 -31.592  23.817 -18.037
  218   1H5*    G  21          1H5*        G  21 -30.534  25.437 -12.145
  219   2H5*    G  21          2H5*        G  21 -28.830  25.364 -11.625
  220    H4*    G  21           H4*        G  21 -30.338  23.343 -11.089
  221    H3*    G  21           H3*        G  21 -27.691  23.074 -12.503
  222    H2*    G  21           H2*        G  21 -27.970  20.727 -12.672
  223   2HO*    G  21          2HO*        G  21 -29.540  19.637 -11.444
  224    H1*    G  21           H1*        G  21 -30.709  20.796 -13.147
  225    H8     G  21           H8         G  21 -28.811  23.440 -15.159
  226    H1     G  21           H1         G  21 -29.035  17.696 -17.948
  227   1H2     G  21          1H2         G  21 -29.863  16.193 -16.553
  228   2H2     G  21          2H2         G  21 -30.365  16.605 -14.931
  229   1H5*    A  22          1H5*        A  22 -27.799  20.291  -9.372
  230   2H5*    A  22          2H5*        A  22 -26.251  20.078  -8.508
  231    H4*    A  22           H4*        A  22 -27.096  17.937  -9.406
  232    H3*    A  22           H3*        A  22 -24.597  19.064 -10.655
  233    H2*    A  22           H2*        A  22 -24.425  17.188 -12.100
  234   2HO*    A  22          2HO*        A  22 -24.973  15.599 -10.463
  235    H1*    A  22           H1*        A  22 -27.162  17.000 -12.593
  236    H8     A  22           H8         A  22 -25.415  20.464 -12.538
  237   1H6     A  22          1H6         A  22 -25.163  19.894 -18.683
  238   2H6     A  22          2H6         A  22 -24.848  20.951 -17.325
  239    H2     A  22           H2         A  22 -26.815  16.099 -16.982
  240   1H5*    C  23          1H5*        C  23 -20.380  17.461 -10.688
  241   2H5*    C  23          2H5*        C  23 -21.298  18.991 -10.684
  242    H4*    C  23           H4*        C  23 -21.558  16.875 -12.829
  243    H3*    C  23           H3*        C  23 -19.805  19.335 -12.752
  244    H2*    C  23           H2*        C  23 -20.184  19.621 -15.100
  245   2HO*    C  23          2HO*        C  23 -21.345  18.045 -16.274
  246    H1*    C  23           H1*        C  23 -22.862  19.237 -14.937
  247   1H4     C  23          1H4         C  23 -21.918  25.493 -13.992
  248   2H4     C  23          2H4         C  23 -21.840  25.220 -12.265
  249    H5     C  23           H5         C  23 -21.861  22.967 -11.269
  250    H6     C  23           H6         C  23 -21.967  20.612 -11.756
  251   1H5*    C  24          1H5*        C  24 -18.719  17.123 -16.132
  252   2H5*    C  24          2H5*        C  24 -16.956  17.115 -16.402
  253    H4*    C  24           H4*        C  24 -18.256  17.920 -18.372
  254    H3*    C  24           H3*        C  24 -16.474  19.969 -17.033
  255    H2*    C  24           H2*        C  24 -16.965  21.426 -18.883
  256   2HO*    C  24          2HO*        C  24 -18.220  20.650 -20.635
  257    H1*    C  24           H1*        C  24 -19.658  20.897 -18.786
  258   1H4     C  24          1H4         C  24 -18.618  25.963 -15.004
  259   2H4     C  24          2H4         C  24 -18.519  24.889 -13.628
  260    H5     C  24           H5         C  24 -18.545  22.444 -13.834
  261    H6     C  24           H6         C  24 -18.653  20.613 -15.392
  262   1H5*    G  25          1H5*        G  25 -15.164  20.031 -20.985
  263   2H5*    G  25          2H5*        G  25 -13.381  20.101 -21.056
  264    H4*    G  25           H4*        G  25 -14.524  21.944 -22.304
  265    H3*    G  25           H3*        G  25 -12.852  22.775 -19.917
  266    H2*    G  25           H2*        G  25 -13.175  25.040 -20.649
  267   2HO*    G  25          2HO*        G  25 -14.310  25.441 -22.612
  268    H1*    G  25           H1*        G  25 -15.866  24.683 -21.051
  269    H8     G  25           H8         G  25 -15.160  22.591 -18.033
  270    H1     G  25           H1         G  25 -15.009  28.841 -16.700
  271   1H2     G  25          1H2         G  25 -14.960  30.028 -18.561
  272   2H2     G  25          2H2         G  25 -14.986  29.279 -20.144
  273   1H5*    U  26          1H5*        U  26 -11.464  25.173 -22.745
  274   2H5*    U  26          2H5*        U  26  -9.697  25.405 -22.666
  275    H4*    U  26           H4*        U  26 -11.174  27.486 -22.394
  276    H3*    U  26           H3*        U  26  -9.185  26.784 -20.220
  277    H2*    U  26           H2*        U  26  -9.696  28.919 -19.254
  278   2HO*    U  26          2HO*        U  26 -10.984  30.414 -20.383
  279    H1*    U  26           H1*        U  26 -12.419  28.648 -19.713
  280    H3     U  26           H3         U  26 -11.059  28.523 -15.229
  281    H5     U  26           H5         U  26 -11.694  24.559 -16.512
  282    H6     U  26           H6         U  26 -11.820  25.383 -18.787
  283   1H5*    G  27          1H5*        G  27  -8.677  30.606 -20.667
  284   2H5*    G  27          2H5*        G  27  -7.001  30.999 -21.094
  285    H4*    G  27           H4*        G  27  -8.038  32.306 -19.174
  286    H3*    G  27           H3*        G  27  -5.362  31.116 -19.290
  287    H2*    G  27           H2*        G  27  -5.569  30.051 -17.232
  288   2HO*    G  27          2HO*        G  27  -5.565  32.741 -16.308
  289    H1*    G  27           H1*        G  27  -7.828  31.913 -16.441
  290    H8     G  27           H8         G  27  -7.372  28.071 -16.887
  291    H1     G  27           H1         G  27  -9.297  29.926 -11.076
  292   1H2     G  27          1H2         G  27  -9.370  32.129 -10.939
  293   2H2     G  27          2H2         G  27  -8.951  33.155 -12.297
  294   1H5*    G  28          1H5*        G  28  -6.735  32.965 -22.266
  295   2H5*    G  28          2H5*        G  28  -5.690  31.541 -22.465
  296    H4*    G  28           H4*        G  28  -5.596  33.375 -24.262
  297    H3*    G  28           H3*        G  28  -3.103  32.372 -22.865
  298    H2*    G  28           H2*        G  28  -1.798  33.759 -24.319
  299   2HO*    G  28          2HO*        G  28  -2.811  34.899 -26.024
  300    H1*    G  28           H1*        G  28  -3.400  35.953 -23.994
  301    H8     G  28           H8         G  28  -3.063  33.684 -20.863
  302    H1     G  28           H1         G  28   1.338  38.303 -21.372
  303   1H2     G  28          1H2         G  28   1.135  39.324 -23.327
  304   2H2     G  28          2H2         G  28  -0.081  38.876 -24.500
  305   1H5*    U  29          1H5*        U  29  -2.053  32.192 -26.820
  306   2H5*    U  29          2H5*        U  29  -1.092  30.735 -27.186
  307    H4*    U  29           H4*        U  29   0.079  32.887 -27.704
  308    H3*    U  29           H3*        U  29   1.305  31.184 -25.519
  309    H2*    U  29           H2*        U  29   3.156  32.692 -25.532
  310   2HO*    U  29          2HO*        U  29   3.307  34.306 -27.177
  311    H1*    U  29           H1*        U  29   1.530  34.958 -25.841
  312    H3     U  29           H3         U  29   3.218  35.572 -21.695
  313    H5     U  29           H5         U  29   0.626  32.285 -21.229
  314    H6     U  29           H6         U  29   0.286  32.295 -23.627
  315   1H5*    C  30          1H5*        C  30   4.335  31.940 -28.402
  316   2H5*    C  30          2H5*        C  30   5.344  30.487 -28.634
  317    H4*    C  30           H4*        C  30   6.663  32.521 -28.080
  318    H3*    C  30           H3*        C  30   6.683  30.338 -25.981
  319    H2*    C  30           H2*        C  30   8.365  31.603 -24.835
  320   2HO*    C  30          2HO*        C  30   8.385  33.260 -27.173
  321    H1*    C  30           H1*        C  30   7.073  34.034 -25.272
  322   1H4     C  30          1H4         C  30   5.200  32.281 -19.446
  323   2H4     C  30          2H4         C  30   4.056  31.138 -20.117
  324    H5     C  30           H5         C  30   3.895  30.673 -22.531
  325    H6     C  30           H6         C  30   4.787  31.241 -24.703
  326   1H5*    C  31          1H5*        C  31  10.685  31.137 -26.940
  327   2H5*    C  31          2H5*        C  31  11.645  29.636 -27.038
  328    H4*    C  31           H4*        C  31  12.658  31.282 -25.506
  329    H3*    C  31           H3*        C  31  11.504  28.846 -24.124
  330    H2*    C  31           H2*        C  31  12.531  29.651 -22.116
  331   2HO*    C  31          2HO*        C  31  13.934  31.479 -22.209
  332    H1*    C  31           H1*        C  31  11.814  32.294 -22.610
  333   1H4     C  31          1H4         C  31   7.380  29.947 -18.646
  334   2H4     C  31          2H4         C  31   6.474  29.335 -20.010
  335    H5     C  31           H5         C  31   7.309  29.426 -22.320
  336    H6     C  31           H6         C  31   9.150  30.129 -23.716
  337   1H5*    U  32          1H5*        U  32  15.580  29.217 -23.005
  338   2H5*    U  32          2H5*        U  32  16.317  27.629 -22.665
  339    H4*    U  32           H4*        U  32  16.345  29.352 -20.771
  340    H3*    U  32           H3*        U  32  15.037  26.661 -20.303
  341    H2*    U  32           H2*        U  32  14.830  27.285 -18.005
  342   2HO*    U  32          2HO*        U  32  15.877  29.186 -17.236
  343    H1*    U  32           H1*        U  32  14.173  29.947 -18.614
  344    H3     U  32           H3         U  32  10.642  27.837 -16.520
  345    H5     U  32           H5         U  32  10.188  27.057 -20.632
  346    H6     U  32           H6         U  32  12.404  27.977 -20.986
  347   1H5*    C  33          1H5*        C  33  17.584  27.207 -17.086
  348   2H5*    C  33          2H5*        C  33  18.679  25.804 -16.989
  349    H4*    C  33           H4*        C  33  17.720  26.294 -14.799
  350    H3*    C  33           H3*        C  33  16.592  23.791 -16.077
  351    H2*    C  33           H2*        C  33  15.429  23.370 -14.027
  352   2HO*    C  33          2HO*        C  33  15.912  24.573 -12.158
  353    H1*    C  33           H1*        C  33  14.750  26.041 -13.631
  354   1H4     C  33          1H4         C  33   9.603  23.282 -16.141
  355   2H4     C  33          2H4         C  33  10.229  23.530 -17.759
  356    H5     C  33           H5         C  33  12.489  24.431 -18.190
  357    H6     C  33           H6         C  33  14.514  25.236 -17.143
  358   1H5*    C  34          1H5*        C  34  18.244  22.725 -12.291
  359   2H5*    C  34          2H5*        C  34  18.943  21.083 -12.303
  360    H4*    C  34           H4*        C  34  17.190  21.429 -10.548
  361    H3*    C  34           H3*        C  34  16.497  19.458 -12.742
  362    H2*    C  34           H2*        C  34  14.544  18.915 -11.499
  363   2HO*    C  34          2HO*        C  34  15.790  18.822  -9.439
  364    H1*    C  34           H1*        C  34  14.257  21.581 -10.504
  365   1H4     C  34          1H4         C  34   9.572  21.202 -14.770
  366   2H4     C  34          2H4         C  34  10.676  20.719 -16.036
  367    H5     C  34           H5         C  34  13.061  20.392 -15.672
  368    H6     C  34           H6         C  34  14.837  20.471 -14.019
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1   9.699  13.024 -14.315
    2   2H5*    G   1          2H5*        G   1   9.367  13.595 -15.948
    3    H4*    G   1           H4*        G   1  11.680  14.516 -14.225
    4    H3*    G   1           H3*        G   1   9.061  15.868 -14.900
    5    H2*    G   1           H2*        G   1  10.139  17.909 -14.896
    6   2HO*    G   1          2HO*        G   1  12.103  18.243 -13.780
    7    H1*    G   1           H1*        G   1  12.724  16.715 -15.586
    8    H8     G   1           H8         G   1   9.435  16.903 -17.696
    9    H1     G   1           H1         G   1  14.243  20.721 -19.503
   10   1H2     G   1          1H2         G   1  15.942  20.503 -18.105
   11   2H2     G   1          2H2         G   1  15.882  19.428 -16.730
   12   1H5*    G   2          1H5*        G   2  10.414  17.187 -10.157
   13   2H5*    G   2          2H5*        G   2   9.293  18.548  -9.894
   14    H4*    G   2           H4*        G   2  11.896  18.891  -9.658
   15    H3*    G   2           H3*        G   2  10.204  20.828 -11.264
   16    H2*    G   2           H2*        G   2  12.185  22.163 -11.423
   17   2HO*    G   2          2HO*        G   2  13.993  21.718 -10.091
   18    H1*    G   2           H1*        G   2  13.866  19.860 -11.556
   19    H8     G   2           H8         G   2  11.002  19.664 -14.033
   20    H1     G   2           H1         G   2  15.742  23.382 -16.161
   21   1H2     G   2          1H2         G   2  17.207  23.778 -14.564
   22   2H2     G   2          2H2         G   2  17.029  23.129 -12.947
   23   1H5*    A   3          1H5*        A   3  12.505  22.842  -8.219
   24   2H5*    A   3          2H5*        A   3  11.810  24.433  -7.813
   25    H4*    A   3           H4*        A   3  14.234  24.223  -8.878
   26    H3*    A   3           H3*        A   3  12.178  26.239  -9.806
   27    H2*    A   3           H2*        A   3  13.872  27.172 -11.186
   28   2HO*    A   3          2HO*        A   3  15.711  25.476  -9.780
   29    H1*    A   3           H1*        A   3  14.944  24.609 -11.844
   30    H8     A   3           H8         A   3  11.376  24.072 -12.406
   31   1H6     A   3          1H6         A   3  11.785  27.391 -17.623
   32   2H6     A   3          2H6         A   3  10.795  26.287 -16.691
   33    H2     A   3           H2         A   3  15.511  28.094 -15.232
   34   1H5*    G   4          1H5*        G   4  15.383  28.778  -8.945
   35   2H5*    G   4          2H5*        G   4  14.759  30.077  -7.896
   36    H4*    G   4           H4*        G   4  15.926  31.069  -9.764
   37    H3*    G   4           H3*        G   4  12.928  31.266 -10.163
   38    H2*    G   4           H2*        G   4  13.418  32.695 -12.021
   39   2HO*    G   4          2HO*        G   4  15.557  33.432 -12.370
   40    H1*    G   4           H1*        G   4  15.591  31.114 -12.843
   41    H8     G   4           H8         G   4  12.684  28.862 -11.951
   42    H1     G   4           H1         G   4  12.109  31.648 -17.688
   43   1H2     G   4          1H2         G   4  13.642  33.229 -17.912
   44   2H2     G   4          2H2         G   4  14.797  33.591 -16.654
   45   1H5*    G   5          1H5*        G   5  14.626  35.308 -10.332
   46   2H5*    G   5          2H5*        G   5  13.437  36.413  -9.593
   47    H4*    G   5           H4*        G   5  14.223  37.082 -11.892
   48    H3*    G   5           H3*        G   5  11.274  36.436 -11.624
   49    H2*    G   5           H2*        G   5  11.035  37.316 -13.837
   50   2HO*    G   5          2HO*        G   5  13.737  38.216 -13.534
   51    H1*    G   5           H1*        G   5  13.453  36.165 -14.709
   52    H8     G   5           H8         G   5  11.571  33.530 -12.794
   53    H1     G   5           H1         G   5   9.153  34.525 -18.638
   54   1H2     G   5          1H2         G   5  10.020  36.358 -19.522
   55   2H2     G   5          2H2         G   5  11.198  37.334 -18.674
   56   1H5*    A   6          1H5*        A   6  11.728  40.545 -13.179
   57   2H5*    A   6          2H5*        A   6  10.442  41.522 -12.421
   58    H4*    A   6           H4*        A   6  10.531  41.754 -14.900
   59    H3*    A   6           H3*        A   6   8.040  40.411 -13.813
   60    H2*    A   6           H2*        A   6   7.145  40.572 -16.036
   61   2HO*    A   6          2HO*        A   6   8.256  41.745 -17.639
   62    H1*    A   6           H1*        A   6   9.522  39.759 -17.215
   63    H8     A   6           H8         A   6   9.161  37.612 -14.160
   64   1H6     A   6          1H6         A   6   5.078  34.196 -17.329
   65   2H6     A   6          2H6         A   6   6.059  34.291 -15.881
   66    H2     A   6           H2         A   6   5.890  37.941 -19.654
   67   1H5*    C   7          1H5*        C   7   6.792  44.026 -16.101
   68   2H5*    C   7          2H5*        C   7   5.292  44.628 -15.348
   69    H4*    C   7           H4*        C   7   5.285  44.072 -17.880
   70    H3*    C   7           H3*        C   7   3.172  42.973 -16.003
   71    H2*    C   7           H2*        C   7   2.069  42.052 -17.908
   72   2HO*    C   7          2HO*        C   7   2.767  42.589 -20.018
   73    H1*    C   7           H1*        C   7   4.419  41.176 -19.101
   74   1H4     C   7          1H4         C   7   1.940  36.293 -15.752
   75   2H4     C   7          2H4         C   7   3.141  36.598 -14.516
   76    H5     C   7           H5         C   7   4.622  38.548 -14.553
   77    H6     C   7           H6         C   7   5.232  40.531 -15.791
   78   1H5*    A   8          1H5*        A   8  -1.431  44.935 -16.673
   79   2H5*    A   8          2H5*        A   8  -0.748  43.449 -15.956
   80    H4*    A   8           H4*        A   8  -1.837  43.842 -18.750
   81    H3*    A   8           H3*        A   8  -2.658  42.132 -16.401
   82    H2*    A   8           H2*        A   8  -3.354  40.378 -17.883
   83   2HO*    A   8          2HO*        A   8  -3.219  40.714 -20.153
   84    H1*    A   8           H1*        A   8  -1.103  40.387 -19.313
   85    H8     A   8           H8         A   8   0.563  41.480 -16.357
   86   1H6     A   8          1H6         A   8  -0.377  35.914 -13.795
   87   2H6     A   8          2H6         A   8   0.526  37.407 -13.674
   88    H2     A   8           H2         A   8  -3.056  36.336 -17.364
   89   1H5*    U   9          1H5*        U   9  -7.099  42.523 -17.005
   90   2H5*    U   9          2H5*        U   9  -7.522  43.088 -15.369
   91    H4*    U   9           H4*        U   9  -8.082  41.022 -14.715
   92    H3*    U   9           H3*        U   9  -5.726  40.371 -14.421
   93    H2*    U   9           H2*        U   9  -5.249  40.646 -16.814
   94   2HO*    U   9          2HO*        U   9  -4.445  38.640 -17.451
   95    H1*    U   9           H1*        U   9  -7.314  38.516 -17.404
   96    H3     U   9           H3         U   9  -7.768  39.422 -21.850
   97    H5     U   9           H5         U   9  -5.130  42.367 -20.408
   98    H6     U   9           H6         U   9  -5.557  41.546 -18.191
   99   1H5*    C  10          1H5*        C  10  -4.379  38.267 -12.005
  100   2H5*    C  10          2H5*        C  10  -4.895  38.278 -13.708
  101    H4*    C  10           H4*        C  10  -6.073  36.277 -11.824
  102    H3*    C  10           H3*        C  10  -3.324  36.272 -11.989
  103    H2*    C  10           H2*        C  10  -3.313  36.159 -14.379
  104   2HO*    C  10          2HO*        C  10  -2.940  33.886 -14.911
  105    H1*    C  10           H1*        C  10  -5.502  34.087 -14.159
  106   1H4     C  10          1H4         C  10  -4.844  34.653 -20.547
  107   2H4     C  10          2H4         C  10  -5.868  36.068 -20.472
  108    H5     C  10           H5         C  10  -6.592  37.066 -18.369
  109    H6     C  10           H6         C  10  -6.494  36.895 -15.954
  110   1H5*    C  11          1H5*        C  11  -5.208  35.058  -7.653
  111   2H5*    C  11          2H5*        C  11  -6.867  35.026  -8.302
  112    H4*    C  11           H4*        C  11  -6.759  36.951  -6.929
  113    H3*    C  11           H3*        C  11  -7.269  37.419  -9.665
  114    H2*    C  11           H2*        C  11  -4.967  38.087 -10.050
  115   2HO*    C  11          2HO*        C  11  -6.501  39.890 -10.533
  116    H1*    C  11           H1*        C  11  -5.246  39.554  -7.411
  117   1H4     C  11          1H4         C  11   1.086  40.448  -7.456
  118   2H4     C  11          2H4         C  11   1.131  40.095  -9.167
  119    H5     C  11           H5         C  11  -0.829  39.329 -10.416
  120    H6     C  11           H6         C  11  -3.162  38.766 -10.270
  121   1H5*    C  12          1H5*        C  12 -10.630  40.919 -10.132
  122   2H5*    C  12          2H5*        C  12 -11.765  40.769  -8.759
  123    H4*    C  12           H4*        C  12 -12.335  39.474 -10.863
  124    H3*    C  12           H3*        C  12 -12.475  38.452  -8.108
  125    H2*    C  12           H2*        C  12 -11.359  36.471  -8.634
  126   2HO*    C  12          2HO*        C  12 -12.607  34.926  -9.759
  127    H1*    C  12           H1*        C  12 -11.953  36.934 -11.563
  128   1H4     C  12          1H4         C  12  -6.497  33.143 -10.804
  129   2H4     C  12          2H4         C  12  -7.066  32.835 -12.429
  130    H5     C  12           H5         C  12  -9.021  33.959 -13.386
  131    H6     C  12           H6         C  12 -10.770  35.559 -12.954
  132   1H5*    U  13          1H5*        U  13 -16.212  41.279 -11.216
  133   2H5*    U  13          2H5*        U  13 -15.484  39.732 -11.731
  134    H4*    U  13           H4*        U  13 -14.250  42.481 -12.030
  135    H3*    U  13           H3*        U  13 -15.813  40.788 -13.913
  136    H2*    U  13           H2*        U  13 -14.086  40.448 -15.368
  137   2HO*    U  13          2HO*        U  13 -14.294  42.622 -16.097
  138    H1*    U  13           H1*        U  13 -11.937  41.731 -13.834
  139    H3     U  13           H3         U  13  -9.632  38.469 -15.997
  140    H5     U  13           H5         U  13 -12.479  36.392 -13.686
  141    H6     U  13           H6         U  13 -13.422  38.524 -13.061
  142   1H5*    C  14          1H5*        C  14 -17.263  41.870 -17.946
  143   2H5*    C  14          2H5*        C  14 -16.697  40.739 -16.690
  144    H4*    C  14           H4*        C  14 -14.945  41.955 -18.856
  145    H3*    C  14           H3*        C  14 -16.132  39.170 -18.642
  146    H2*    C  14           H2*        C  14 -14.203  38.396 -19.877
  147   2HO*    C  14          2HO*        C  14 -13.371  41.136 -19.869
  148    H1*    C  14           H1*        C  14 -12.509  39.583 -18.140
  149   1H4     C  14          1H4         C  14 -14.191  34.064 -15.352
  150   2H4     C  14          2H4         C  14 -15.594  34.831 -14.634
  151    H5     C  14           H5         C  14 -16.223  37.163 -15.126
  152    H6     C  14           H6         C  14 -15.659  39.125 -16.392
  153   1H5*    A  15          1H5*        A  15 -15.202  39.037 -23.013
  154   2H5*    A  15          2H5*        A  15 -16.534  38.021 -23.629
  155    H4*    A  15           H4*        A  15 -14.096  37.164 -23.883
  156    H3*    A  15           H3*        A  15 -16.246  35.435 -22.633
  157    H2*    A  15           H2*        A  15 -14.644  33.635 -22.602
  158   2HO*    A  15          2HO*        A  15 -12.588  33.940 -23.597
  159    H1*    A  15           H1*        A  15 -12.609  35.263 -21.658
  160    H8     A  15           H8         A  15 -15.501  36.604 -19.865
  161   1H6     A  15          1H6         A  15 -15.442  31.618 -16.192
  162   2H6     A  15          2H6         A  15 -16.107  33.219 -16.418
  163    H2     A  15           H2         A  15 -12.711  30.858 -19.666
  164   1H5*    C  16          1H5*        C  16 -14.884  32.848 -25.714
  165   2H5*    C  16          2H5*        C  16 -16.323  32.178 -26.531
  166    H4*    C  16           H4*        C  16 -14.745  30.442 -25.656
  167    H3*    C  16           H3*        C  16 -17.502  30.520 -24.403
  168    H2*    C  16           H2*        C  16 -16.927  28.487 -23.271
  169   2HO*    C  16          2HO*        C  16 -14.930  27.442 -23.765
  170    H1*    C  16           H1*        C  16 -14.388  29.385 -22.607
  171   1H4     C  16          1H4         C  16 -17.886  30.880 -17.510
  172   2H4     C  16          2H4         C  16 -18.749  32.116 -18.399
  173    H5     C  16           H5         C  16 -18.391  32.528 -20.787
  174    H6     C  16           H6         C  16 -17.134  31.839 -22.739
  175   1H5*    G  17          1H5*        G  17 -17.156  26.409 -26.039
  176   2H5*    G  17          2H5*        G  17 -18.822  25.850 -26.344
  177    H4*    G  17           H4*        G  17 -17.396  24.525 -24.656
  178    H3*    G  17           H3*        G  17 -20.103  25.613 -23.839
  179    H2*    G  17           H2*        G  17 -19.851  24.369 -21.801
  180   2HO*    G  17          2HO*        G  17 -18.104  22.928 -21.544
  181    H1*    G  17           H1*        G  17 -17.224  25.139 -21.463
  182    H8     G  17           H8         G  17 -19.053  28.151 -22.821
  183    H1     G  17           H1         G  17 -20.247  27.103 -16.634
  184   1H2     G  17          1H2         G  17 -19.510  25.105 -16.030
  185   2H2     G  17          2H2         G  17 -18.708  24.034 -17.156
  186   1H5*    G  18          1H5*        G  18 -20.189  21.273 -23.187
  187   2H5*    G  18          2H5*        G  18 -21.872  20.701 -23.351
  188    H4*    G  18           H4*        G  18 -20.706  20.245 -21.120
  189    H3*    G  18           H3*        G  18 -23.303  21.805 -21.147
  190    H2*    G  18           H2*        G  18 -23.281  21.649 -18.753
  191   2HO*    G  18          2HO*        G  18 -21.644  20.415 -17.711
  192    H1*    G  18           H1*        G  18 -20.633  22.341 -18.567
  193    H8     G  18           H8         G  18 -21.852  24.450 -21.389
  194    H1     G  18           H1         G  18 -24.126  26.456 -15.768
  195   1H2     G  18          1H2         G  18 -23.785  24.932 -14.206
  196   2H2     G  18          2H2         G  18 -22.974  23.418 -14.548
  197   1H5*    G  19          1H5*        G  19 -24.013  19.632 -18.066
  198   2H5*    G  19          2H5*        G  19 -25.429  18.595 -18.371
  199    H4*    G  19           H4*        G  19 -25.607  19.827 -16.235
  200    H3*    G  19           H3*        G  19 -27.560  20.721 -18.376
  201    H2*    G  19           H2*        G  19 -28.611  22.075 -16.713
  202   2HO*    G  19          2HO*        G  19 -28.663  21.278 -14.739
  203    H1*    G  19           H1*        G  19 -26.166  22.820 -15.538
  204    H8     G  19           H8         G  19 -26.434  22.907 -19.412
  205    H1     G  19           H1         G  19 -27.984  28.387 -16.504
  206   1H2     G  19          1H2         G  19 -27.997  28.130 -14.317
  207   2H2     G  19          2H2         G  19 -27.631  26.600 -13.556
  208   1H5*    U  20          1H5*        U  20 -31.026  19.286 -19.870
  209   2H5*    U  20          2H5*        U  20 -30.432  20.968 -19.845
  210    H4*    U  20           H4*        U  20 -32.912  20.801 -19.815
  211    H3*    U  20           H3*        U  20 -31.589  21.961 -17.362
  212    H2*    U  20           H2*        U  20 -33.743  22.367 -16.426
  213   2HO*    U  20          2HO*        U  20 -35.606  22.355 -17.712
  214    H1*    U  20           H1*        U  20 -34.910  20.034 -17.556
  215    H3     U  20           H3         U  20 -34.819  20.418 -12.817
  216    H5     U  20           H5         U  20 -31.735  17.823 -14.042
  217    H6     U  20           H6         U  20 -32.127  18.541 -16.324
  218   1H5*    G  21          1H5*        G  21 -32.794  25.805 -17.900
  219   2H5*    G  21          2H5*        G  21 -31.334  26.828 -17.830
  220    H4*    G  21           H4*        G  21 -32.749  27.177 -15.860
  221    H3*    G  21           H3*        G  21 -30.225  25.640 -15.242
  222    H2*    G  21           H2*        G  21 -30.779  25.919 -12.906
  223   2HO*    G  21          2HO*        G  21 -31.743  27.954 -12.844
  224    H1*    G  21           H1*        G  21 -33.339  25.080 -13.315
  225    H8     G  21           H8         G  21 -31.037  23.273 -15.758
  226    H1     G  21           H1         G  21 -31.128  20.659  -9.926
  227   1H2     G  21          1H2         G  21 -32.211  21.971  -8.512
  228   2H2     G  21          2H2         G  21 -32.915  23.492  -9.005
  229   1H5*    A  22          1H5*        A  22 -32.339  30.245 -12.621
  230   2H5*    A  22          2H5*        A  22 -30.811  31.172 -12.563
  231    H4*    A  22           H4*        A  22 -31.815  30.450 -10.313
  232    H3*    A  22           H3*        A  22 -28.997  29.706 -11.100
  233    H2*    A  22           H2*        A  22 -28.688  28.650  -8.967
  234   2HO*    A  22          2HO*        A  22 -29.818  30.285  -7.730
  235    H1*    A  22           H1*        A  22 -31.185  27.459  -8.960
  236    H8     A  22           H8         A  22 -29.189  27.661 -12.281
  237   1H6     A  22          1H6         A  22 -27.350  21.909 -11.001
  238   2H6     A  22          2H6         A  22 -27.316  23.198 -12.183
  239    H2     A  22           H2         A  22 -29.720  23.432  -7.531
  240   1H5*    C  23          1H5*        C  23 -25.403  30.879  -7.878
  241   2H5*    C  23          2H5*        C  23 -25.425  30.976  -9.659
  242    H4*    C  23           H4*        C  23 -26.019  28.545  -7.953
  243    H3*    C  23           H3*        C  23 -23.747  29.237  -9.823
  244    H2*    C  23           H2*        C  23 -23.567  26.924 -10.411
  245   2HO*    C  23          2HO*        C  23 -24.777  25.352  -9.311
  246    H1*    C  23           H1*        C  23 -26.230  26.569 -10.764
  247   1H4     C  23          1H4         C  23 -23.993  28.554 -16.407
  248   2H4     C  23          2H4         C  23 -24.382  30.200 -15.974
  249    H5     C  23           H5         C  23 -25.180  30.836 -13.761
  250    H6     C  23           H6         C  23 -25.746  30.016 -11.556
  251   1H5*    C  24          1H5*        C  24 -22.466  25.800  -7.960
  252   2H5*    C  24          2H5*        C  24 -20.743  25.900  -7.513
  253    H4*    C  24           H4*        C  24 -21.293  23.967  -9.003
  254    H3*    C  24           H3*        C  24 -19.437  26.075 -10.132
  255    H2*    C  24           H2*        C  24 -19.103  24.637 -12.024
  256   2HO*    C  24          2HO*        C  24 -20.599  22.724 -10.505
  257    H1*    C  24           H1*        C  24 -21.785  24.045 -12.278
  258   1H4     C  24          1H4         C  24 -20.621  29.100 -16.038
  259   2H4     C  24          2H4         C  24 -21.181  30.149 -14.759
  260    H5     C  24           H5         C  24 -21.739  29.335 -12.506
  261    H6     C  24           H6         C  24 -21.855  27.380 -11.106
  262   1H5*    G  25          1H5*        G  25 -17.159  22.524 -10.637
  263   2H5*    G  25          2H5*        G  25 -15.494  22.846 -10.083
  264    H4*    G  25           H4*        G  25 -15.598  21.950 -12.402
  265    H3*    G  25           H3*        G  25 -14.598  24.796 -12.124
  266    H2*    G  25           H2*        G  25 -14.068  24.739 -14.460
  267   2HO*    G  25          2HO*        G  25 -14.250  22.783 -15.630
  268    H1*    G  25           H1*        G  25 -16.440  23.503 -15.151
  269    H8     G  25           H8         G  25 -17.045  26.047 -12.378
  270    H1     G  25           H1         G  25 -16.777  28.632 -18.222
  271   1H2     G  25          1H2         G  25 -16.048  27.147 -19.686
  272   2H2     G  25          2H2         G  25 -15.644  25.507 -19.229
  273   1H5*    U  26          1H5*        U  26 -11.811  22.800 -14.610
  274   2H5*    U  26          2H5*        U  26 -10.194  23.071 -13.910
  275    H4*    U  26           H4*        U  26 -10.101  23.559 -16.272
  276    H3*    U  26           H3*        U  26 -10.195  26.114 -14.650
  277    H2*    U  26           H2*        U  26  -9.745  27.279 -16.704
  278   2HO*    U  26          2HO*        U  26  -9.331  26.070 -18.618
  279    H1*    U  26           H1*        U  26 -11.595  25.794 -18.121
  280    H3     U  26           H3         U  26 -13.743  29.754 -17.710
  281    H5     U  26           H5         U  26 -13.750  28.210 -13.786
  282    H6     U  26           H6         U  26 -12.367  26.388 -14.569
  283   1H5*    G  27          1H5*        G  27  -6.973  26.268 -17.250
  284   2H5*    G  27          2H5*        G  27  -5.522  26.970 -16.488
  285    H4*    G  27           H4*        G  27  -6.325  27.972 -18.706
  286    H3*    G  27           H3*        G  27  -5.004  29.226 -16.587
  287    H2*    G  27           H2*        G  27  -6.864  30.368 -15.731
  288   2HO*    G  27          2HO*        G  27  -5.429  31.988 -16.691
  289    H1*    G  27           H1*        G  27  -8.031  30.749 -18.494
  290    H8     G  27           H8         G  27  -9.378  28.925 -15.353
  291    H1     G  27           H1         G  27 -12.492  34.294 -16.893
  292   1H2     G  27          1H2         G  27 -11.470  35.324 -18.565
  293   2H2     G  27          2H2         G  27 -10.025  34.678 -19.310
  294   1H5*    G  28          1H5*        G  28  -5.147  30.633 -21.037
  295   2H5*    G  28          2H5*        G  28  -4.024  29.725 -22.083
  296    H4*    G  28           H4*        G  28  -4.330  31.977 -22.945
  297    H3*    G  28           H3*        G  28  -1.621  31.500 -21.676
  298    H2*    G  28           H2*        G  28  -0.966  33.710 -22.346
  299   2HO*    G  28          2HO*        G  28  -2.465  34.990 -23.580
  300    H1*    G  28           H1*        G  28  -3.243  34.886 -21.438
  301    H8     G  28           H8         G  28  -2.800  32.129 -18.959
  302    H1     G  28           H1         G  28   1.452  36.831 -18.122
  303   1H2     G  28          1H2         G  28   1.433  38.206 -19.857
  304   2H2     G  28          2H2         G  28   0.377  37.955 -21.228
  305   1H5*    U  29          1H5*        U  29  -0.760  33.408 -25.222
  306   2H5*    U  29          2H5*        U  29   0.467  32.495 -26.140
  307    H4*    U  29           H4*        U  29   1.070  34.877 -25.898
  308    H3*    U  29           H3*        U  29   2.825  32.961 -24.342
  309    H2*    U  29           H2*        U  29   4.240  34.827 -23.855
  310   2HO*    U  29          2HO*        U  29   3.818  36.866 -24.840
  311    H1*    U  29           H1*        U  29   2.122  36.523 -23.316
  312    H3     U  29           H3         U  29   4.555  35.362 -19.514
  313    H5     U  29           H5         U  29   1.363  32.623 -19.813
  314    H6     U  29           H6         U  29   0.920  33.486 -22.023
  315   1H5*    C  30          1H5*        C  30   5.277  35.460 -26.687
  316   2H5*    C  30          2H5*        C  30   6.618  34.541 -27.420
  317    H4*    C  30           H4*        C  30   7.341  36.581 -26.161
  318    H3*    C  30           H3*        C  30   8.276  33.914 -25.071
  319    H2*    C  30           H2*        C  30   9.682  35.157 -23.567
  320   2HO*    C  30          2HO*        C  30   9.795  37.448 -23.756
  321    H1*    C  30           H1*        C  30   7.670  36.935 -22.909
  322   1H4     C  30          1H4         C  30   7.501  32.217 -18.591
  323   2H4     C  30          2H4         C  30   6.202  31.470 -19.494
  324    H5     C  30           H5         C  30   5.460  32.292 -21.693
  325    H6     C  30           H6         C  30   5.846  33.960 -23.393
  326   1H5*    C  31          1H5*        C  31  11.763  36.066 -25.663
  327   2H5*    C  31          2H5*        C  31  13.064  35.049 -26.340
  328    H4*    C  31           H4*        C  31  13.693  36.199 -24.217
  329    H3*    C  31           H3*        C  31  13.525  33.179 -24.066
  330    H2*    C  31           H2*        C  31  14.521  33.369 -21.893
  331   2HO*    C  31          2HO*        C  31  15.313  35.386 -21.166
  332    H1*    C  31           H1*        C  31  12.941  35.561 -21.199
  333   1H4     C  31          1H4         C  31  10.225  30.318 -18.751
  334   2H4     C  31          2H4         C  31   9.139  30.266 -20.123
  335    H5     C  31           H5         C  31   9.371  31.759 -22.064
  336    H6     C  31           H6         C  31  10.692  33.554 -23.022
  337   1H5*    U  32          1H5*        U  32  17.341  34.098 -22.645
  338   2H5*    U  32          2H5*        U  32  18.531  33.052 -23.464
  339    H4*    U  32           H4*        U  32  18.840  32.988 -21.037
  340    H3*    U  32           H3*        U  32  17.635  30.429 -22.117
  341    H2*    U  32           H2*        U  32  17.982  29.508 -19.937
  342   2HO*    U  32          2HO*        U  32  19.184  30.700 -18.372
  343    H1*    U  32           H1*        U  32  17.204  31.879 -18.648
  344    H3     U  32           H3         U  32  14.142  28.639 -17.589
  345    H5     U  32           H5         U  32  13.018  30.001 -21.416
  346    H6     U  32           H6         U  32  15.067  31.284 -21.493
  347   1H5*    C  33          1H5*        C  33  21.283  29.539 -20.074
  348   2H5*    C  33          2H5*        C  33  22.088  28.105 -20.764
  349    H4*    C  33           H4*        C  33  21.509  28.088 -18.245
  350    H3*    C  33           H3*        C  33  20.514  25.842 -20.011
  351    H2*    C  33           H2*        C  33  19.855  24.751 -17.981
  352   2HO*    C  33          2HO*        C  33  20.583  25.582 -15.948
  353    H1*    C  33           H1*        C  33  19.116  27.250 -16.765
  354   1H4     C  33          1H4         C  33  13.821  23.979 -18.381
  355   2H4     C  33          2H4         C  33  13.591  25.151 -19.657
  356    H5     C  33           H5         C  33  15.265  26.830 -20.233
  357    H6     C  33           H6         C  33  17.468  27.688 -19.691
  358   1H5*    C  34          1H5*        C  34  22.658  22.721 -18.354
  359   2H5*    C  34          2H5*        C  34  23.595  22.160 -19.767
  360    H4*    C  34           H4*        C  34  22.129  20.379 -18.936
  361    H3*    C  34           H3*        C  34  21.016  21.552 -21.506
  362    H2*    C  34           H2*        C  34  19.538  19.661 -21.481
  363   2HO*    C  34          2HO*        C  34  19.916  17.946 -19.988
  364    H1*    C  34           H1*        C  34  19.299  19.781 -18.659
  365   1H4     C  34          1H4         C  34  13.885  22.130 -21.068
  366   2H4     C  34          2H4         C  34  14.644  23.688 -21.335
  367    H5     C  34           H5         C  34  17.058  24.082 -20.951
  368    H6     C  34           H6         C  34  19.138  23.030 -20.232
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1   3.883  17.782 -10.950
    2   2H5*    G   1          2H5*        G   1   4.650  17.603 -12.528
    3    H4*    G   1           H4*        G   1   5.762  16.552  -9.917
    4    H3*    G   1           H3*        G   1   6.485  19.004 -11.538
    5    H2*    G   1           H2*        G   1   8.771  18.711 -10.877
    6   2HO*    G   1          2HO*        G   1   9.331  17.168  -9.311
    7    H1*    G   1           H1*        G   1   8.781  16.011 -11.337
    8    H8     G   1           H8         G   1   6.747  16.759 -14.220
    9    H1     G   1           H1         G   1  12.469  19.538 -14.883
   10   1H2     G   1          1H2         G   1  13.541  19.571 -12.951
   11   2H2     G   1          2H2         G   1  12.846  18.914 -11.485
   12   1H5*    G   2          1H5*        G   2   8.311  19.660  -7.750
   13   2H5*    G   2          2H5*        G   2   8.083  21.350  -7.223
   14    H4*    G   2           H4*        G   2  10.476  20.578  -7.264
   15    H3*    G   2           H3*        G   2   9.682  22.873  -9.073
   16    H2*    G   2           H2*        G   2  11.989  23.119  -9.664
   17   2HO*    G   2          2HO*        G   2  13.578  21.842  -8.608
   18    H1*    G   2           H1*        G   2  12.383  20.451 -10.057
   19    H8     G   2           H8         G   2   8.878  20.892 -11.283
   20    H1     G   2           H1         G   2  13.141  23.488 -15.272
   21   1H2     G   2          1H2         G   2  15.126  23.639 -14.305
   22   2H2     G   2          2H2         G   2  15.407  23.079 -12.671
   23   1H5*    A   3          1H5*        A   3  12.956  24.366  -7.610
   24   2H5*    A   3          2H5*        A   3  12.802  26.072  -7.113
   25    H4*    A   3           H4*        A   3  14.500  25.514  -8.975
   26    H3*    A   3           H3*        A   3  12.331  27.565  -9.461
   27    H2*    A   3           H2*        A   3  13.290  28.006 -11.545
   28   2HO*    A   3          2HO*        A   3  15.461  27.425 -12.028
   29    H1*    A   3           H1*        A   3  14.252  25.298 -11.879
   30    H8     A   3           H8         A   3  10.608  25.056 -11.398
   31   1H6     A   3          1H6         A   3   9.920  26.922 -17.285
   32   2H6     A   3          2H6         A   3   9.112  26.214 -15.902
   33    H2     A   3           H2         A   3  14.163  27.672 -16.046
   34   1H5*    G   4          1H5*        G   4  15.977  29.658 -10.337
   35   2H5*    G   4          2H5*        G   4  15.858  31.228  -9.506
   36    H4*    G   4           H4*        G   4  16.488  31.641 -11.785
   37    H3*    G   4           H3*        G   4  13.520  32.173 -11.476
   38    H2*    G   4           H2*        G   4  13.644  33.132 -13.673
   39   2HO*    G   4          2HO*        G   4  15.671  33.469 -14.666
   40    H1*    G   4           H1*        G   4  15.361  31.100 -14.588
   41    H8     G   4           H8         G   4  12.529  29.625 -12.530
   42    H1     G   4           H1         G   4  10.885  31.106 -18.543
   43   1H2     G   4          1H2         G   4  12.495  32.296 -19.491
   44   2H2     G   4          2H2         G   4  13.963  32.713 -18.643
   45   1H5*    G   5          1H5*        G   5  15.605  35.962 -12.753
   46   2H5*    G   5          2H5*        G   5  14.520  37.314 -12.331
   47    H4*    G   5           H4*        G   5  15.258  36.962 -14.820
   48    H3*    G   5           H3*        G   5  12.339  37.335 -14.101
   49    H2*    G   5           H2*        G   5  11.953  37.507 -16.459
   50   2HO*    G   5          2HO*        G   5  13.699  37.748 -17.905
   51    H1*    G   5           H1*        G   5  13.891  35.522 -17.048
   52    H8     G   5           H8         G   5  11.772  33.972 -14.402
   53    H1     G   5           H1         G   5   8.619  34.425 -19.950
   54   1H2     G   5          1H2         G   5   9.680  35.768 -21.347
   55   2H2     G   5          2H2         G   5  11.185  36.553 -20.920
   56   1H5*    A   6          1H5*        A   6  13.224  40.305 -17.076
   57   2H5*    A   6          2H5*        A   6  12.639  41.851 -16.406
   58    H4*    A   6           H4*        A   6  11.846  41.645 -18.674
   59    H3*    A   6           H3*        A   6   9.626  41.049 -16.696
   60    H2*    A   6           H2*        A   6   8.128  41.015 -18.563
   61   2HO*    A   6          2HO*        A   6   8.885  41.617 -20.639
   62    H1*    A   6           H1*        A   6   9.851  39.560 -20.143
   63    H8     A   6           H8         A   6   9.948  38.288 -16.539
   64   1H6     A   6          1H6         A   6   4.967  34.909 -18.074
   65   2H6     A   6          2H6         A   6   6.179  35.201 -16.842
   66    H2     A   6           H2         A   6   5.887  37.737 -21.440
   67   1H5*    C   7          1H5*        C   7   8.230  43.914 -19.588
   68   2H5*    C   7          2H5*        C   7   7.138  45.056 -18.768
   69    H4*    C   7           H4*        C   7   6.235  43.790 -20.827
   70    H3*    C   7           H3*        C   7   4.743  43.732 -18.190
   71    H2*    C   7           H2*        C   7   2.994  42.564 -19.296
   72   2HO*    C   7          2HO*        C   7   2.999  42.383 -21.589
   73    H1*    C   7           H1*        C   7   4.710  41.036 -20.875
   74   1H4     C   7          1H4         C   7   2.615  37.384 -16.081
   75   2H4     C   7          2H4         C   7   3.986  37.870 -15.107
   76    H5     C   7           H5         C   7   5.567  39.584 -15.809
   77    H6     C   7           H6         C   7   6.155  41.136 -17.599
   78   1H5*    A   8          1H5*        A   8   1.685  44.540 -21.374
   79   2H5*    A   8          2H5*        A   8   0.653  45.769 -20.600
   80    H4*    A   8           H4*        A   8  -0.427  43.538 -21.416
   81    H3*    A   8           H3*        A   8  -0.877  44.675 -18.658
   82    H2*    A   8           H2*        A   8  -2.347  42.887 -18.175
   83   2HO*    A   8          2HO*        A   8  -3.021  41.458 -19.886
   84    H1*    A   8           H1*        A   8  -0.840  40.955 -19.498
   85    H8     A   8           H8         A   8   1.507  43.116 -17.564
   86   1H6     A   8          1H6         A   8   0.149  39.690 -12.591
   87   2H6     A   8          2H6         A   8   1.219  40.911 -13.242
   88    H2     A   8           H2         A   8  -2.755  38.673 -15.859
   89   1H5*    U   9          1H5*        U   9  -5.996  43.909 -18.766
   90   2H5*    U   9          2H5*        U   9  -5.897  45.646 -19.145
   91    H4*    U   9           H4*        U   9  -6.531  46.066 -17.071
   92    H3*    U   9           H3*        U   9  -4.125  46.348 -16.628
   93    H2*    U   9           H2*        U   9  -3.718  43.940 -16.946
   94   2HO*    U   9          2HO*        U   9  -2.476  44.892 -15.158
   95    H1*    U   9           H1*        U   9  -5.582  43.430 -14.621
   96    H3     U   9           H3         U   9  -5.965  38.949 -15.223
   97    H5     U   9           H5         U   9  -3.771  40.265 -18.576
   98    H6     U   9           H6         U   9  -4.127  42.509 -17.823
   99   1H5*    C  10          1H5*        C  10  -5.370  44.133 -12.804
  100   2H5*    C  10          2H5*        C  10  -5.240  45.288 -11.460
  101    H4*    C  10           H4*        C  10  -4.642  42.727 -11.138
  102    H3*    C  10           H3*        C  10  -4.158  44.793  -9.501
  103    H2*    C  10           H2*        C  10  -2.269  45.660 -10.666
  104   2HO*    C  10          2HO*        C  10  -0.442  45.173  -9.455
  105    H1*    C  10           H1*        C  10  -1.000  42.945 -10.992
  106   1H4     C  10          1H4         C  10   1.768  47.087 -15.193
  107   2H4     C  10          2H4         C  10   1.152  45.956 -16.375
  108    H5     C  10           H5         C  10  -0.380  44.123 -15.794
  109    H6     C  10           H6         C  10  -1.585  43.066 -13.986
  110   1H5*    C  11          1H5*        C  11  -7.280  42.590  -7.108
  111   2H5*    C  11          2H5*        C  11  -6.594  41.081  -7.770
  112    H4*    C  11           H4*        C  11  -8.536  43.000  -9.050
  113    H3*    C  11           H3*        C  11  -9.317  40.804  -7.825
  114    H2*    C  11           H2*        C  11  -7.555  39.436  -8.831
  115   2HO*    C  11          2HO*        C  11  -9.955  39.043 -10.302
  116    H1*    C  11           H1*        C  11  -8.516  40.458 -11.522
  117   1H4     C  11          1H4         C  11  -3.309  37.365 -13.528
  118   2H4     C  11          2H4         C  11  -2.348  38.019 -12.222
  119    H5     C  11           H5         C  11  -3.288  39.472 -10.474
  120    H6     C  11           H6         C  11  -5.311  40.539  -9.686
  121   1H5*    C  12          1H5*        C  12 -12.344  41.165 -10.999
  122   2H5*    C  12          2H5*        C  12 -13.902  42.032 -10.835
  123    H4*    C  12           H4*        C  12 -14.178  39.763 -10.074
  124    H3*    C  12           H3*        C  12 -14.564  41.955  -8.146
  125    H2*    C  12           H2*        C  12 -13.232  40.952  -6.517
  126   2HO*    C  12          2HO*        C  12 -15.315  40.324  -5.763
  127    H1*    C  12           H1*        C  12 -13.568  38.290  -7.902
  128   1H4     C  12          1H4         C  12  -7.888  38.419  -4.370
  129   2H4     C  12          2H4         C  12  -8.253  36.728  -4.623
  130    H5     C  12           H5         C  12 -10.201  35.965  -5.902
  131    H6     C  12           H6         C  12 -12.133  36.692  -7.165
  132   1H5*    U  13          1H5*        U  13 -18.560  38.404 -10.367
  133   2H5*    U  13          2H5*        U  13 -17.706  38.365  -8.801
  134    H4*    U  13           H4*        U  13 -16.019  39.759 -10.538
  135    H3*    U  13           H3*        U  13 -17.549  37.973 -12.207
  136    H2*    U  13           H2*        U  13 -16.286  36.082 -11.634
  137   2HO*    U  13          2HO*        U  13 -15.521  36.602 -13.753
  138    H1*    U  13           H1*        U  13 -13.945  37.896 -10.954
  139    H3     U  13           H3         U  13 -11.540  35.029  -8.414
  140    H5     U  13           H5         U  13 -15.083  32.908  -9.177
  141    H6     U  13           H6         U  13 -15.935  34.884 -10.299
  142   1H5*    C  14          1H5*        C  14 -13.852  39.210 -13.593
  143   2H5*    C  14          2H5*        C  14 -13.843  40.919 -14.104
  144    H4*    C  14           H4*        C  14 -12.356  40.542 -15.748
  145    H3*    C  14           H3*        C  14 -13.660  37.845 -16.211
  146    H2*    C  14           H2*        C  14 -11.721  37.284 -17.522
  147   2HO*    C  14          2HO*        C  14 -10.049  38.878 -17.744
  148    H1*    C  14           H1*        C  14 -10.017  38.116 -15.553
  149   1H4     C  14          1H4         C  14 -11.591  32.006 -14.318
  150   2H4     C  14          2H4         C  14 -12.722  32.573 -13.119
  151    H5     C  14           H5         C  14 -13.257  34.955 -12.798
  152    H6     C  14           H6         C  14 -12.772  37.198 -13.574
  153   1H5*    A  15          1H5*        A  15 -12.626  38.757 -20.243
  154   2H5*    A  15          2H5*        A  15 -14.081  38.430 -21.225
  155    H4*    A  15           H4*        A  15 -12.075  37.207 -22.024
  156    H3*    A  15           H3*        A  15 -14.259  35.456 -20.866
  157    H2*    A  15           H2*        A  15 -13.018  33.578 -21.732
  158   2HO*    A  15          2HO*        A  15 -11.378  35.607 -22.942
  159    H1*    A  15           H1*        A  15 -10.631  34.581 -20.745
  160    H8     A  15           H8         A  15 -13.032  35.569 -18.115
  161   1H6     A  15          1H6         A  15 -13.162  29.698 -16.171
  162   2H6     A  15          2H6         A  15 -13.613  31.347 -15.796
  163    H2     A  15           H2         A  15 -11.075  29.825 -20.139
  164   1H5*    C  16          1H5*        C  16 -13.878  33.836 -24.638
  165   2H5*    C  16          2H5*        C  16 -15.479  33.698 -25.417
  166    H4*    C  16           H4*        C  16 -14.222  31.559 -25.409
  167    H3*    C  16           H3*        C  16 -16.715  31.616 -23.690
  168    H2*    C  16           H2*        C  16 -16.419  29.262 -23.355
  169   2HO*    C  16          2HO*        C  16 -14.829  28.128 -24.543
  170    H1*    C  16           H1*        C  16 -13.670  29.499 -22.986
  171   1H4     C  16          1H4         C  16 -15.937  29.649 -17.050
  172   2H4     C  16          2H4         C  16 -16.760  31.167 -17.338
  173    H5     C  16           H5         C  16 -16.766  32.282 -19.519
  174    H6     C  16           H6         C  16 -15.976  32.143 -21.806
  175   1H5*    G  17          1H5*        G  17 -17.663  28.441 -26.770
  176   2H5*    G  17          2H5*        G  17 -19.444  28.385 -26.838
  177    H4*    G  17           H4*        G  17 -18.095  26.263 -26.114
  178    H3*    G  17           H3*        G  17 -20.458  27.295 -24.525
  179    H2*    G  17           H2*        G  17 -20.273  25.314 -23.187
  180   2HO*    G  17          2HO*        G  17 -18.770  23.667 -23.807
  181    H1*    G  17           H1*        G  17 -17.499  25.452 -23.073
  182    H8     G  17           H8         G  17 -18.953  28.950 -22.717
  183    H1     G  17           H1         G  17 -19.223  25.508 -17.343
  184   1H2     G  17          1H2         G  17 -18.730  23.389 -17.760
  185   2H2     G  17          2H2         G  17 -18.317  22.831 -19.363
  186   1H5*    G  18          1H5*        G  18 -21.395  23.150 -25.358
  187   2H5*    G  18          2H5*        G  18 -23.092  23.107 -25.904
  188    H4*    G  18           H4*        G  18 -22.711  21.485 -24.110
  189    H3*    G  18           H3*        G  18 -24.350  23.877 -23.236
  190    H2*    G  18           H2*        G  18 -24.719  22.740 -21.171
  191   2HO*    G  18          2HO*        G  18 -24.089  20.560 -20.919
  192    H1*    G  18           H1*        G  18 -22.094  21.838 -20.983
  193    H8     G  18           H8         G  18 -22.235  25.436 -22.250
  194    H1     G  18           H1         G  18 -22.785  24.934 -15.893
  195   1H2     G  18          1H2         G  18 -23.055  22.821 -15.307
  196   2H2     G  18          2H2         G  18 -23.087  21.525 -16.484
  197   1H5*    G  19          1H5*        G  19 -26.691  20.582 -22.118
  198   2H5*    G  19          2H5*        G  19 -28.422  20.967 -22.313
  199    H4*    G  19           H4*        G  19 -27.641  20.340 -19.958
  200    H3*    G  19           H3*        G  19 -28.964  23.037 -20.397
  201    H2*    G  19           H2*        G  19 -28.961  23.295 -18.017
  202   2HO*    G  19          2HO*        G  19 -28.833  21.583 -16.686
  203    H1*    G  19           H1*        G  19 -26.412  22.160 -17.730
  204    H8     G  19           H8         G  19 -26.247  24.564 -20.640
  205    H1     G  19           H1         G  19 -26.228  27.541 -14.982
  206   1H2     G  19          1H2         G  19 -26.747  26.131 -13.371
  207   2H2     G  19          2H2         G  19 -27.090  24.445 -13.680
  208   1H5*    U  20          1H5*        U  20 -32.551  23.600 -21.046
  209   2H5*    U  20          2H5*        U  20 -31.683  25.106 -20.640
  210    H4*    U  20           H4*        U  20 -34.047  25.281 -20.063
  211    H3*    U  20           H3*        U  20 -32.197  25.081 -17.674
  212    H2*    U  20           H2*        U  20 -34.100  25.280 -16.235
  213   2HO*    U  20          2HO*        U  20 -35.001  27.111 -17.372
  214    H1*    U  20           H1*        U  20 -35.879  23.993 -18.049
  215    H3     U  20           H3         U  20 -32.767  21.821 -14.337
  216    H5     U  20           H5         U  20 -36.302  20.048 -15.807
  217    H6     U  20           H6         U  20 -36.429  21.837 -17.442
  218   1H5*    G  21          1H5*        G  21 -31.438  28.615 -14.939
  219   2H5*    G  21          2H5*        G  21 -30.441  27.247 -15.508
  220    H4*    G  21           H4*        G  21 -32.322  27.390 -13.158
  221    H3*    G  21           H3*        G  21 -29.454  26.535 -13.557
  222    H2*    G  21           H2*        G  21 -29.646  24.994 -11.761
  223   2HO*    G  21          2HO*        G  21 -31.383  25.095 -10.305
  224    H1*    G  21           H1*        G  21 -32.251  24.217 -12.341
  225    H8     G  21           H8         G  21 -30.181  24.449 -15.518
  226    H1     G  21           H1         G  21 -29.470  18.933 -12.358
  227   1H2     G  21          1H2         G  21 -30.442  19.054 -10.374
  228   2H2     G  21          2H2         G  21 -31.260  20.496  -9.824
  229   1H5*    A  22          1H5*        A  22 -29.840  27.835  -9.371
  230   2H5*    A  22          2H5*        A  22 -28.332  28.618  -8.817
  231    H4*    A  22           H4*        A  22 -28.965  26.752  -7.341
  232    H3*    A  22           H3*        A  22 -26.517  26.268  -9.052
  233    H2*    A  22           H2*        A  22 -26.191  24.189  -7.870
  234   2HO*    A  22          2HO*        A  22 -27.481  23.690  -6.068
  235    H1*    A  22           H1*        A  22 -28.838  23.487  -8.023
  236    H8     A  22           H8         A  22 -27.377  25.331 -11.097
  237   1H6     A  22          1H6         A  22 -26.196  19.704 -13.348
  238   2H6     A  22          2H6         A  22 -26.169  21.420 -13.683
  239    H2     A  22           H2         A  22 -27.742  19.253  -9.173
  240   1H5*    C  23          1H5*        C  23 -22.267  25.182  -6.831
  241   2H5*    C  23          2H5*        C  23 -22.617  26.215  -8.243
  242    H4*    C  23           H4*        C  23 -23.436  23.321  -7.873
  243    H3*    C  23           H3*        C  23 -21.378  24.643  -9.644
  244    H2*    C  23           H2*        C  23 -21.804  22.996 -11.323
  245   2HO*    C  23          2HO*        C  23 -23.124  21.204 -10.883
  246    H1*    C  23           H1*        C  23 -24.519  23.125 -11.091
  247   1H4     C  23          1H4         C  23 -22.938  27.421 -15.548
  248   2H4     C  23          2H4         C  23 -22.881  28.664 -14.319
  249    H5     C  23           H5         C  23 -23.114  28.178 -11.926
  250    H6     C  23           H6         C  23 -23.444  26.429 -10.298
  251   1H5*    C  24          1H5*        C  24 -20.478  20.617  -9.938
  252   2H5*    C  24          2H5*        C  24 -18.726  20.324  -9.773
  253    H4*    C  24           H4*        C  24 -19.634  19.351 -11.851
  254    H3*    C  24           H3*        C  24 -17.784  21.717 -12.249
  255    H2*    C  24           H2*        C  24 -17.878  21.278 -14.603
  256   2HO*    C  24          2HO*        C  24 -19.038  19.410 -15.349
  257    H1*    C  24           H1*        C  24 -20.612  20.902 -14.601
  258   1H4     C  24          1H4         C  24 -19.569  27.071 -15.928
  259   2H4     C  24          2H4         C  24 -19.756  27.455 -14.233
  260    H5     C  24           H5         C  24 -20.003  25.734 -12.493
  261    H6     C  24           H6         C  24 -20.092  23.360 -12.088
  262   1H5*    G  25          1H5*        G  25 -16.107  18.910 -14.788
  263   2H5*    G  25          2H5*        G  25 -14.378  18.730 -14.384
  264    H4*    G  25           H4*        G  25 -14.721  19.120 -16.793
  265    H3*    G  25           H3*        G  25 -13.421  21.426 -15.321
  266    H2*    G  25           H2*        G  25 -13.077  22.469 -17.448
  267   2HO*    G  25          2HO*        G  25 -13.487  21.311 -19.375
  268    H1*    G  25           H1*        G  25 -15.594  21.761 -18.404
  269    H8     G  25           H8         G  25 -15.599  22.884 -14.737
  270    H1     G  25           H1         G  25 -16.008  27.675 -18.959
  271   1H2     G  25          1H2         G  25 -15.658  26.924 -21.005
  272   2H2     G  25          2H2         G  25 -15.338  25.236 -21.336
  273   1H5*    U  26          1H5*        U  26 -10.971  20.633 -18.686
  274   2H5*    U  26          2H5*        U  26  -9.285  20.508 -18.117
  275    H4*    U  26           H4*        U  26  -9.413  22.023 -20.018
  276    H3*    U  26           H3*        U  26  -9.007  23.496 -17.405
  277    H2*    U  26           H2*        U  26  -8.663  25.473 -18.711
  278   2HO*    U  26          2HO*        U  26  -8.611  25.291 -21.029
  279    H1*    U  26           H1*        U  26 -10.780  24.904 -20.422
  280    H3     U  26           H3         U  26 -12.587  28.334 -18.126
  281    H5     U  26           H5         U  26 -12.098  25.341 -15.182
  282    H6     U  26           H6         U  26 -11.010  23.978 -16.850
  283   1H5*    G  27          1H5*        G  27  -5.957  24.638 -19.969
  284   2H5*    G  27          2H5*        G  27  -4.410  24.939 -19.135
  285    H4*    G  27           H4*        G  27  -5.516  26.832 -20.541
  286    H3*    G  27           H3*        G  27  -3.777  26.979 -18.301
  287    H2*    G  27           H2*        G  27  -5.397  27.749 -16.801
  288   2HO*    G  27          2HO*        G  27  -4.011  29.568 -17.111
  289    H1*    G  27           H1*        G  27  -6.815  29.187 -19.062
  290    H8     G  27           H8         G  27  -8.090  26.491 -16.610
  291    H1     G  27           H1         G  27 -10.535  32.329 -15.698
  292   1H2     G  27          1H2         G  27  -9.526  33.795 -17.016
  293   2H2     G  27          2H2         G  27  -8.257  33.325 -18.123
  294   1H5*    G  28          1H5*        G  28  -4.054  31.660 -18.305
  295   2H5*    G  28          2H5*        G  28  -4.990  30.773 -19.534
  296    H4*    G  28           H4*        G  28  -5.270  32.625 -20.732
  297    H3*    G  28           H3*        G  28  -2.268  32.782 -20.647
  298    H2*    G  28           H2*        G  28  -2.244  35.100 -21.144
  299   2HO*    G  28          2HO*        G  28  -4.187  36.173 -21.764
  300    H1*    G  28           H1*        G  28  -4.262  35.827 -19.474
  301    H8     G  28           H8         G  28  -3.193  33.548 -17.021
  302    H1     G  28           H1         G  28   1.701  37.463 -18.322
  303   1H2     G  28          1H2         G  28   1.351  38.529 -20.230
  304   2H2     G  28          2H2         G  28  -0.087  38.266 -21.190
  305   1H5*    U  29          1H5*        U  29  -2.259  34.844 -24.123
  306   2H5*    U  29          2H5*        U  29  -1.786  33.668 -25.381
  307    H4*    U  29           H4*        U  29  -0.409  35.582 -25.698
  308    H3*    U  29           H3*        U  29   1.106  33.453 -24.169
  309    H2*    U  29           H2*        U  29   3.053  34.829 -24.329
  310   2HO*    U  29          2HO*        U  29   2.980  36.770 -25.549
  311    H1*    U  29           H1*        U  29   1.733  37.102 -23.586
  312    H3     U  29           H3         U  29   4.238  35.714 -20.032
  313    H5     U  29           H5         U  29   0.678  33.492 -19.771
  314    H6     U  29           H6         U  29   0.054  34.367 -21.941
  315   1H5*    C  30          1H5*        C  30   3.595  34.236 -27.736
  316   2H5*    C  30          2H5*        C  30   4.483  32.730 -28.101
  317    H4*    C  30           H4*        C  30   5.879  34.825 -27.631
  318    H3*    C  30           H3*        C  30   6.316  32.363 -25.920
  319    H2*    C  30           H2*        C  30   8.236  33.501 -25.027
  320   2HO*    C  30          2HO*        C  30   7.722  35.479 -27.036
  321    H1*    C  30           H1*        C  30   6.865  35.933 -24.824
  322   1H4     C  30          1H4         C  30   6.559  33.111 -19.082
  323   2H4     C  30          2H4         C  30   5.096  32.283 -19.568
  324    H5     C  30           H5         C  30   4.206  32.380 -21.852
  325    H6     C  30           H6         C  30   4.556  33.293 -24.060
  326   1H5*    C  31          1H5*        C  31  10.152  33.150 -27.694
  327   2H5*    C  31          2H5*        C  31  11.081  31.627 -27.762
  328    H4*    C  31           H4*        C  31  11.956  33.606 -26.301
  329    H3*    C  31           H3*        C  31  11.691  30.814 -25.160
  330    H2*    C  31           H2*        C  31  12.838  31.648 -23.230
  331   2HO*    C  31          2HO*        C  31  13.780  33.749 -23.279
  332    H1*    C  31           H1*        C  31  11.467  34.119 -23.319
  333   1H4     C  31          1H4         C  31   8.799  30.440 -18.783
  334   2H4     C  31          2H4         C  31   7.577  29.959 -19.940
  335    H5     C  31           H5         C  31   7.667  30.575 -22.317
  336    H6     C  31           H6         C  31   8.953  31.753 -23.999
  337   1H5*    U  32          1H5*        U  32  15.580  31.641 -24.212
  338   2H5*    U  32          2H5*        U  32  16.610  30.350 -24.885
  339    H4*    U  32           H4*        U  32  17.167  30.668 -22.553
  340    H3*    U  32           H3*        U  32  15.485  28.177 -22.932
  341    H2*    U  32           H2*        U  32  15.934  27.679 -20.637
  342   2HO*    U  32          2HO*        U  32  17.518  28.792 -19.488
  343    H1*    U  32           H1*        U  32  15.662  30.358 -19.842
  344    H3     U  32           H3         U  32  12.314  27.886 -17.915
  345    H5     U  32           H5         U  32  10.942  28.781 -21.793
  346    H6     U  32           H6         U  32  13.139  29.656 -22.298
  347   1H5*    C  33          1H5*        C  33  19.459  27.273 -21.180
  348   2H5*    C  33          2H5*        C  33  19.919  25.583 -21.527
  349    H4*    C  33           H4*        C  33  19.909  26.354 -19.065
  350    H3*    C  33           H3*        C  33  18.296  23.927 -19.886
  351    H2*    C  33           H2*        C  33  17.864  23.580 -17.571
  352   2HO*    C  33          2HO*        C  33  19.080  24.719 -15.983
  353    H1*    C  33           H1*        C  33  17.748  26.343 -16.995
  354   1H4     C  33          1H4         C  33  11.868  23.852 -16.740
  355   2H4     C  33          2H4         C  33  11.629  24.289 -18.413
  356    H5     C  33           H5         C  33  13.382  25.182 -19.808
  357    H6     C  33           H6         C  33  15.741  25.833 -19.888
  358   1H5*    C  34          1H5*        C  34  20.812  22.722 -16.630
  359   2H5*    C  34          2H5*        C  34  21.220  20.995 -16.814
  360    H4*    C  34           H4*        C  34  19.918  21.781 -14.691
  361    H3*    C  34           H3*        C  34  18.991  19.441 -16.373
  362    H2*    C  34           H2*        C  34  17.278  19.056 -14.773
  363   2HO*    C  34          2HO*        C  34  18.818  20.808 -13.111
  364    H1*    C  34           H1*        C  34  16.856  21.808 -14.264
  365   1H4     C  34          1H4         C  34  12.057  19.710 -17.948
  366   2H4     C  34          2H4         C  34  12.960  20.185 -19.370
  367    H5     C  34           H5         C  34  15.292  20.987 -19.265
  368    H6     C  34           H6         C  34  17.119  21.491 -17.785
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1   3.325  18.784  -8.739
    2   2H5*    G   1          2H5*        G   1   3.832  18.365 -10.375
    3    H4*    G   1           H4*        G   1   5.242  17.510  -7.838
    4    H3*    G   1           H3*        G   1   5.893  19.694  -9.832
    5    H2*    G   1           H2*        G   1   8.224  19.274  -9.456
    6   2HO*    G   1          2HO*        G   1   8.920  17.995  -7.776
    7    H1*    G   1           H1*        G   1   7.969  16.555  -9.617
    8    H8     G   1           H8         G   1   5.553  17.220 -12.222
    9    H1     G   1           H1         G   1  11.301  19.363 -14.032
   10   1H2     G   1          1H2         G   1  12.669  19.463 -12.297
   11   2H2     G   1          2H2         G   1  12.165  19.003 -10.685
   12   1H5*    G   2          1H5*        G   2   8.415  20.608  -6.559
   13   2H5*    G   2          2H5*        G   2   8.340  22.358  -6.215
   14    H4*    G   2           H4*        G   2  10.659  21.457  -6.584
   15    H3*    G   2           H3*        G   2   9.636  23.558  -8.508
   16    H2*    G   2           H2*        G   2  11.822  23.610  -9.487
   17   2HO*    G   2          2HO*        G   2  13.523  22.391  -8.541
   18    H1*    G   2           H1*        G   2  12.062  20.885  -9.566
   19    H8     G   2           H8         G   2   8.448  21.348 -10.341
   20    H1     G   2           H1         G   2  12.183  23.216 -15.190
   21   1H2     G   2          1H2         G   2  14.294  23.378 -14.526
   22   2H2     G   2          2H2         G   2  14.780  23.012 -12.886
   23   1H5*    A   3          1H5*        A   3  13.227  24.938  -7.694
   24   2H5*    A   3          2H5*        A   3  13.262  26.697  -7.400
   25    H4*    A   3           H4*        A   3  14.666  25.768  -9.360
   26    H3*    A   3           H3*        A   3  12.640  27.963  -9.825
   27    H2*    A   3           H2*        A   3  13.347  28.076 -12.052
   28   2HO*    A   3          2HO*        A   3  15.384  27.048 -12.684
   29    H1*    A   3           H1*        A   3  14.038  25.271 -12.170
   30    H8     A   3           H8         A   3  10.494  25.307 -11.269
   31   1H6     A   3          1H6         A   3   9.144  26.838 -17.137
   32   2H6     A   3          2H6         A   3   8.489  26.263 -15.616
   33    H2     A   3           H2         A   3  13.539  27.421 -16.505
   34   1H5*    G   4          1H5*        G   4  16.310  29.468 -11.363
   35   2H5*    G   4          2H5*        G   4  16.538  31.099 -10.682
   36    H4*    G   4           H4*        G   4  16.921  31.249 -13.037
   37    H3*    G   4           H3*        G   4  14.102  32.199 -12.458
   38    H2*    G   4           H2*        G   4  14.077  32.958 -14.738
   39   2HO*    G   4          2HO*        G   4  16.038  32.748 -15.990
   40    H1*    G   4           H1*        G   4  15.310  30.626 -15.652
   41    H8     G   4           H8         G   4  12.686  29.799 -13.017
   42    H1     G   4           H1         G   4  10.306  30.869 -18.871
   43   1H2     G   4          1H2         G   4  11.887  31.698 -20.182
   44   2H2     G   4          2H2         G   4  13.514  31.975 -19.614
   45   1H5*    G   5          1H5*        G   5  16.437  35.375 -14.378
   46   2H5*    G   5          2H5*        G   5  15.701  36.960 -14.018
   47    H4*    G   5           H4*        G   5  15.966  36.219 -16.498
   48    H3*    G   5           H3*        G   5  13.273  37.148 -15.471
   49    H2*    G   5           H2*        G   5  12.585  37.135 -17.767
   50   2HO*    G   5          2HO*        G   5  14.167  36.832 -19.427
   51    H1*    G   5           H1*        G   5  14.088  34.797 -18.322
   52    H8     G   5           H8         G   5  12.168  33.896 -15.265
   53    H1     G   5           H1         G   5   8.332  34.332 -20.365
   54   1H2     G   5          1H2         G   5   9.363  35.342 -22.037
   55   2H2     G   5          2H2         G   5  11.016  35.904 -21.909
   56   1H5*    A   6          1H5*        A   6  13.887  39.387 -18.826
   57   2H5*    A   6          2H5*        A   6  13.765  41.110 -18.386
   58    H4*    A   6           H4*        A   6  12.426  40.791 -20.335
   59    H3*    A   6           H3*        A   6  10.623  40.783 -17.898
   60    H2*    A   6           H2*        A   6   8.783  40.825 -19.435
   61   2HO*    A   6          2HO*        A   6   9.197  41.062 -21.685
   62    H1*    A   6           H1*        A   6   9.940  38.955 -21.112
   63    H8     A   6           H8         A   6  10.470  38.024 -17.437
   64   1H6     A   6          1H6         A   6   4.833  35.411 -17.795
   65   2H6     A   6          2H6         A   6   6.262  35.605 -16.801
   66    H2     A   6           H2         A   6   5.617  37.728 -21.578
   67   1H5*    C   7          1H5*        C   7   9.115  43.458 -20.812
   68   2H5*    C   7          2H5*        C   7   8.452  44.899 -20.010
   69    H4*    C   7           H4*        C   7   6.902  43.674 -21.627
   70    H3*    C   7           H3*        C   7   6.038  44.043 -18.748
   71    H2*    C   7           H2*        C   7   3.901  43.194 -19.408
   72   2HO*    C   7          2HO*        C   7   3.795  44.414 -21.413
   73    H1*    C   7           H1*        C   7   5.003  41.304 -21.177
   74   1H4     C   7          1H4         C   7   3.166  38.154 -15.944
   75   2H4     C   7          2H4         C   7   4.704  38.501 -15.187
   76    H5     C   7           H5         C   7   6.386  39.961 -16.187
   77    H6     C   7           H6         C   7   6.921  41.337 -18.130
   78   1H5*    A   8          1H5*        A   8   2.814  45.901 -17.260
   79   2H5*    A   8          2H5*        A   8   3.560  44.348 -17.724
   80    H4*    A   8           H4*        A   8   1.077  44.896 -19.170
   81    H3*    A   8           H3*        A   8   1.015  44.798 -16.161
   82    H2*    A   8           H2*        A   8  -0.886  43.412 -16.225
   83   2HO*    A   8          2HO*        A   8  -1.888  42.931 -18.268
   84    H1*    A   8           H1*        A   8   0.046  41.753 -18.143
   85    H8     A   8           H8         A   8   3.015  42.847 -16.169
   86   1H6     A   8          1H6         A   8   1.476  38.503 -12.009
   87   2H6     A   8          2H6         A   8   2.717  39.630 -12.505
   88    H2     A   8           H2         A   8  -1.916  38.959 -14.926
   89   1H5*    U   9          1H5*        U   9  -3.077  44.559 -15.738
   90   2H5*    U   9          2H5*        U   9  -3.348  46.272 -15.380
   91    H4*    U   9           H4*        U   9  -3.650  45.929 -13.214
   92    H3*    U   9           H3*        U   9  -1.378  45.222 -12.717
   93    H2*    U   9           H2*        U   9  -1.596  43.471 -14.471
   94   2HO*    U   9          2HO*        U   9  -0.166  42.825 -12.680
   95    H1*    U   9           H1*        U   9  -3.664  42.221 -12.608
   96    H3     U   9           H3         U   9  -5.073  38.931 -15.377
   97    H5     U   9           H5         U   9  -2.677  41.366 -17.842
   98    H6     U   9           H6         U   9  -2.474  42.875 -15.985
   99   1H5*    C  10          1H5*        C  10  -5.953  44.999  -9.738
  100   2H5*    C  10          2H5*        C  10  -5.181  44.030 -11.016
  101    H4*    C  10           H4*        C  10  -6.926  46.463 -11.446
  102    H3*    C  10           H3*        C  10  -7.673  43.642 -11.178
  103    H2*    C  10           H2*        C  10  -7.539  43.174 -13.430
  104   2HO*    C  10          2HO*        C  10  -9.676  45.020 -13.451
  105    H1*    C  10           H1*        C  10  -7.573  46.100 -14.168
  106   1H4     C  10          1H4         C  10  -4.049  44.281 -19.200
  107   2H4     C  10          2H4         C  10  -4.483  42.615 -18.890
  108    H5     C  10           H5         C  10  -5.755  41.922 -16.906
  109    H6     C  10           H6         C  10  -6.841  42.707 -14.907
  110   1H5*    C  11          1H5*        C  11 -10.377  43.278  -7.955
  111   2H5*    C  11          2H5*        C  11  -9.270  41.955  -8.408
  112    H4*    C  11           H4*        C  11 -11.441  43.207 -10.106
  113    H3*    C  11           H3*        C  11 -11.779  41.064  -8.391
  114    H2*    C  11           H2*        C  11 -10.148  39.703  -9.562
  115   2HO*    C  11          2HO*        C  11 -12.544  39.177 -10.987
  116    H1*    C  11           H1*        C  11 -11.410  40.807 -12.088
  117   1H4     C  11          1H4         C  11  -6.768  37.790 -15.238
  118   2H4     C  11          2H4         C  11  -5.819  37.595 -13.783
  119    H5     C  11           H5         C  11  -6.530  38.467 -11.603
  120    H6     C  11           H6         C  11  -8.267  39.672 -10.443
  121   1H5*    C  12          1H5*        C  12 -14.532  40.775 -11.419
  122   2H5*    C  12          2H5*        C  12 -15.725  41.826 -12.221
  123    H4*    C  12           H4*        C  12 -17.054  40.023 -11.915
  124    H3*    C  12           H3*        C  12 -17.646  41.865  -9.909
  125    H2*    C  12           H2*        C  12 -16.423  40.682  -8.231
  126   2HO*    C  12          2HO*        C  12 -18.004  39.240  -7.144
  127    H1*    C  12           H1*        C  12 -17.462  38.105  -9.414
  128   1H4     C  12          1H4         C  12 -13.495  35.992  -4.808
  129   2H4     C  12          2H4         C  12 -12.158  36.286  -5.896
  130    H5     C  12           H5         C  12 -12.427  37.415  -8.056
  131    H6     C  12           H6         C  12 -14.015  38.453  -9.548
  132   1H5*    U  13          1H5*        U  13 -20.741  37.928 -12.794
  133   2H5*    U  13          2H5*        U  13 -20.069  38.357 -11.199
  134    H4*    U  13           H4*        U  13 -18.134  39.106 -13.116
  135    H3*    U  13           H3*        U  13 -19.551  36.861 -14.260
  136    H2*    U  13           H2*        U  13 -18.581  35.361 -12.687
  137   2HO*    U  13          2HO*        U  13 -17.649  34.920 -14.836
  138    H1*    U  13           H1*        U  13 -16.208  37.257 -12.770
  139    H3     U  13           H3         U  13 -13.551  35.509  -9.605
  140    H5     U  13           H5         U  13 -17.160  33.454  -9.010
  141    H6     U  13           H6         U  13 -18.151  34.822 -10.761
  142   1H5*    C  14          1H5*        C  14 -16.112  38.832 -13.878
  143   2H5*    C  14          2H5*        C  14 -15.663  40.549 -13.991
  144    H4*    C  14           H4*        C  14 -13.715  40.110 -15.141
  145    H3*    C  14           H3*        C  14 -14.932  37.505 -16.107
  146    H2*    C  14           H2*        C  14 -12.703  36.734 -16.501
  147   2HO*    C  14          2HO*        C  14 -11.725  39.320 -15.823
  148    H1*    C  14           H1*        C  14 -11.685  37.911 -14.167
  149   1H4     C  14          1H4         C  14 -12.549  31.878 -12.302
  150   2H4     C  14          2H4         C  14 -14.266  31.961 -12.616
  151    H5     C  14           H5         C  14 -15.362  33.957 -13.543
  152    H6     C  14           H6         C  14 -15.000  36.221 -14.356
  153   1H5*    A  15          1H5*        A  15 -11.918  38.087 -18.837
  154   2H5*    A  15          2H5*        A  15 -12.610  37.936 -20.475
  155    H4*    A  15           H4*        A  15 -10.639  36.457 -20.054
  156    H3*    A  15           H3*        A  15 -13.237  35.475 -21.053
  157    H2*    A  15           H2*        A  15 -13.227  33.477 -19.816
  158   2HO*    A  15          2HO*        A  15 -11.478  32.022 -20.347
  159    H1*    A  15           H1*        A  15 -10.341  33.893 -19.071
  160    H8     A  15           H8         A  15 -12.380  34.758 -16.249
  161   1H6     A  15          1H6         A  15 -12.858  28.783 -14.695
  162   2H6     A  15          2H6         A  15 -13.110  30.430 -14.150
  163    H2     A  15           H2         A  15 -11.256  29.064 -18.850
  164   1H5*    C  16          1H5*        C  16 -11.015  32.714 -23.928
  165   2H5*    C  16          2H5*        C  16 -12.012  33.045 -25.371
  166    H4*    C  16           H4*        C  16 -12.242  30.726 -24.945
  167    H3*    C  16           H3*        C  16 -14.616  32.083 -23.634
  168    H2*    C  16           H2*        C  16 -15.460  29.874 -23.269
  169   2HO*    C  16          2HO*        C  16 -14.627  28.108 -24.365
  170    H1*    C  16           H1*        C  16 -12.860  28.850 -22.755
  171   1H4     C  16          1H4         C  16 -15.139  29.300 -16.866
  172   2H4     C  16          2H4         C  16 -15.805  30.892 -17.161
  173    H5     C  16           H5         C  16 -15.586  32.048 -19.325
  174    H6     C  16           H6         C  16 -14.716  31.865 -21.569
  175   1H5*    G  17          1H5*        G  17 -16.340  29.335 -27.111
  176   2H5*    G  17          2H5*        G  17 -18.058  29.804 -27.133
  177    H4*    G  17           H4*        G  17 -17.345  27.327 -26.586
  178    H3*    G  17           H3*        G  17 -19.368  28.834 -24.910
  179    H2*    G  17           H2*        G  17 -19.736  26.771 -23.748
  180   2HO*    G  17          2HO*        G  17 -18.791  24.822 -24.568
  181    H1*    G  17           H1*        G  17 -17.014  26.071 -23.808
  182    H8     G  17           H8         G  17 -17.865  29.702 -22.791
  183    H1     G  17           H1         G  17 -17.839  25.496 -17.989
  184   1H2     G  17          1H2         G  17 -17.629  23.434 -18.772
  185   2H2     G  17          2H2         G  17 -17.481  23.103 -20.480
  186   1H5*    G  18          1H5*        G  18 -21.181  24.979 -26.325
  187   2H5*    G  18          2H5*        G  18 -22.905  25.344 -26.601
  188    H4*    G  18           H4*        G  18 -22.541  23.367 -25.129
  189    H3*    G  18           H3*        G  18 -23.817  25.770 -23.795
  190    H2*    G  18           H2*        G  18 -24.167  24.388 -21.880
  191   2HO*    G  18          2HO*        G  18 -23.819  22.134 -21.997
  192    H1*    G  18           H1*        G  18 -21.676  23.144 -22.093
  193    H8     G  18           H8         G  18 -21.553  26.928 -22.706
  194    H1     G  18           H1         G  18 -21.341  25.290 -16.519
  195   1H2     G  18          1H2         G  18 -21.760  23.138 -16.270
  196   2H2     G  18          2H2         G  18 -22.080  22.087 -17.635
  197   1H5*    G  19          1H5*        G  19 -26.335  22.551 -22.901
  198   2H5*    G  19          2H5*        G  19 -28.039  23.075 -22.958
  199    H4*    G  19           H4*        G  19 -27.248  22.062 -20.756
  200    H3*    G  19           H3*        G  19 -28.294  24.908 -20.729
  201    H2*    G  19           H2*        G  19 -28.182  24.806 -18.349
  202   2HO*    G  19          2HO*        G  19 -28.135  22.901 -17.262
  203    H1*    G  19           H1*        G  19 -25.789  23.297 -18.372
  204    H8     G  19           H8         G  19 -25.481  26.232 -20.757
  205    H1     G  19           H1         G  19 -24.617  27.868 -14.631
  206   1H2     G  19          1H2         G  19 -25.208  26.209 -13.306
  207   2H2     G  19          2H2         G  19 -25.811  24.687 -13.921
  208   1H5*    U  20          1H5*        U  20 -30.554  25.913 -18.901
  209   2H5*    U  20          2H5*        U  20 -30.508  24.359 -18.030
  210    H4*    U  20           H4*        U  20 -32.922  26.177 -18.247
  211    H3*    U  20           H3*        U  20 -30.917  25.797 -16.023
  212    H2*    U  20           H2*        U  20 -32.655  26.046 -14.418
  213   2HO*    U  20          2HO*        U  20 -33.665  27.870 -15.492
  214    H1*    U  20           H1*        U  20 -34.586  24.675 -15.946
  215    H3     U  20           H3         U  20 -33.069  22.775 -11.826
  216    H5     U  20           H5         U  20 -31.500  20.600 -15.073
  217    H6     U  20           H6         U  20 -32.231  22.391 -16.544
  218   1H5*    G  21          1H5*        G  21 -29.700  29.419 -12.979
  219   2H5*    G  21          2H5*        G  21 -28.564  28.455 -13.961
  220    H4*    G  21           H4*        G  21 -30.133  27.701 -11.544
  221    H3*    G  21           H3*        G  21 -27.476  26.868 -12.723
  222    H2*    G  21           H2*        G  21 -27.552  24.915 -11.369
  223   2HO*    G  21          2HO*        G  21 -28.211  25.857  -9.401
  224    H1*    G  21           H1*        G  21 -30.335  24.594 -11.623
  225    H8     G  21           H8         G  21 -28.732  25.254 -14.992
  226    H1     G  21           H1         G  21 -28.320  19.152 -13.134
  227   1H2     G  21          1H2         G  21 -28.940  18.949 -11.021
  228   2H2     G  21          2H2         G  21 -29.453  20.318 -10.065
  229   1H5*    A  22          1H5*        A  22 -26.729  27.660  -8.361
  230   2H5*    A  22          2H5*        A  22 -25.014  28.026  -8.018
  231    H4*    A  22           H4*        A  22 -25.805  26.032  -6.785
  232    H3*    A  22           H3*        A  22 -23.765  25.515  -8.964
  233    H2*    A  22           H2*        A  22 -23.702  23.214  -8.262
  234   2HO*    A  22          2HO*        A  22 -23.883  23.712  -5.957
  235    H1*    A  22           H1*        A  22 -26.415  22.993  -8.069
  236    H8     A  22           H8         A  22 -25.220  25.232 -10.978
  237   1H6     A  22          1H6         A  22 -25.226  20.080 -14.379
  238   2H6     A  22          2H6         A  22 -25.022  21.817 -14.402
  239    H2     A  22           H2         A  22 -26.085  18.962 -10.132
  240   1H5*    C  23          1H5*        C  23 -21.411  24.053  -7.204
  241   2H5*    C  23          2H5*        C  23 -19.799  24.211  -7.952
  242    H4*    C  23           H4*        C  23 -21.831  22.521  -8.784
  243    H3*    C  23           H3*        C  23 -19.473  23.615 -10.317
  244    H2*    C  23           H2*        C  23 -20.274  22.468 -12.257
  245   2HO*    C  23          2HO*        C  23 -22.009  20.980 -12.084
  246    H1*    C  23           H1*        C  23 -22.934  23.113 -11.796
  247   1H4     C  23          1H4         C  23 -20.767  27.571 -15.824
  248   2H4     C  23          2H4         C  23 -20.228  28.533 -14.468
  249    H5     C  23           H5         C  23 -20.311  27.727 -12.150
  250    H6     C  23           H6         C  23 -20.939  25.887 -10.741
  251   1H5*    C  24          1H5*        C  24 -19.550  19.704 -11.443
  252   2H5*    C  24          2H5*        C  24 -17.944  18.943 -11.284
  253    H4*    C  24           H4*        C  24 -18.782  18.605 -13.534
  254    H3*    C  24           H3*        C  24 -16.599  20.700 -13.409
  255    H2*    C  24           H2*        C  24 -16.623  20.736 -15.806
  256   2HO*    C  24          2HO*        C  24 -17.933  19.210 -16.945
  257    H1*    C  24           H1*        C  24 -19.399  20.704 -15.945
  258   1H4     C  24          1H4         C  24 -17.656  26.830 -16.271
  259   2H4     C  24          2H4         C  24 -17.670  26.938 -14.527
  260    H5     C  24           H5         C  24 -18.046  24.990 -13.069
  261    H6     C  24           H6         C  24 -18.450  22.612 -13.047
  262   1H5*    G  25          1H5*        G  25 -14.843  18.166 -16.371
  263   2H5*    G  25          2H5*        G  25 -13.226  17.787 -15.717
  264    H4*    G  25           H4*        G  25 -12.989  18.615 -17.976
  265    H3*    G  25           H3*        G  25 -12.213  20.721 -15.940
  266    H2*    G  25           H2*        G  25 -11.437  22.046 -17.774
  267   2HO*    G  25          2HO*        G  25 -10.508  20.237 -18.971
  268    H1*    G  25           H1*        G  25 -13.635  21.434 -19.358
  269    H8     G  25           H8         G  25 -13.986  22.136 -15.557
  270    H1     G  25           H1         G  25 -15.078  27.137 -19.406
  271   1H2     G  25          1H2         G  25 -14.686  26.568 -21.506
  272   2H2     G  25          2H2         G  25 -14.156  24.964 -21.960
  273   1H5*    U  26          1H5*        U  26  -8.549  20.555 -18.262
  274   2H5*    U  26          2H5*        U  26  -7.258  21.019 -17.120
  275    H4*    U  26           H4*        U  26  -7.726  22.561 -19.150
  276    H3*    U  26           H3*        U  26  -7.703  23.691 -16.339
  277    H2*    U  26           H2*        U  26  -7.819  25.862 -17.362
  278   2HO*    U  26          2HO*        U  26  -7.628  24.518 -19.883
  279    H1*    U  26           H1*        U  26  -9.764  25.066 -19.167
  280    H3     U  26           H3         U  26 -12.251  27.603 -16.405
  281    H5     U  26           H5         U  26 -11.097  24.350 -13.965
  282    H6     U  26           H6         U  26  -9.748  23.549 -15.798
  283   1H5*    G  27          1H5*        G  27  -5.239  26.003 -18.632
  284   2H5*    G  27          2H5*        G  27  -3.755  26.512 -17.786
  285    H4*    G  27           H4*        G  27  -5.381  28.291 -18.820
  286    H3*    G  27           H3*        G  27  -3.617  28.446 -16.511
  287    H2*    G  27           H2*        G  27  -5.271  29.017 -15.017
  288   2HO*    G  27          2HO*        G  27  -4.349  31.078 -15.358
  289    H1*    G  27           H1*        G  27  -7.050  30.032 -17.263
  290    H8     G  27           H8         G  27  -7.844  27.071 -14.993
  291    H1     G  27           H1         G  27 -10.898  32.462 -13.418
  292   1H2     G  27          1H2         G  27 -10.096  34.171 -14.573
  293   2H2     G  27          2H2         G  27  -8.815  33.970 -15.749
  294   1H5*    G  28          1H5*        G  28  -4.927  33.015 -16.794
  295   2H5*    G  28          2H5*        G  28  -5.131  31.895 -18.167
  296    H4*    G  28           H4*        G  28  -5.756  33.863 -19.160
  297    H3*    G  28           H3*        G  28  -2.800  33.545 -19.554
  298    H2*    G  28           H2*        G  28  -2.468  35.758 -20.316
  299   2HO*    G  28          2HO*        G  28  -4.425  35.749 -21.655
  300    H1*    G  28           H1*        G  28  -4.062  37.017 -18.534
  301    H8     G  28           H8         G  28  -2.990  34.600 -16.091
  302    H1     G  28           H1         G  28   2.042  38.041 -18.080
  303   1H2     G  28          1H2         G  28   1.543  39.123 -19.947
  304   2H2     G  28          2H2         G  28  -0.027  38.989 -20.707
  305   1H5*    U  29          1H5*        U  29  -2.981  35.429 -23.050
  306   2H5*    U  29          2H5*        U  29  -2.851  34.159 -24.297
  307    H4*    U  29           H4*        U  29  -1.236  35.800 -24.869
  308    H3*    U  29           H3*        U  29   0.113  33.545 -23.361
  309    H2*    U  29           H2*        U  29   2.207  34.595 -23.827
  310   2HO*    U  29          2HO*        U  29   2.271  36.449 -25.186
  311    H1*    U  29           H1*        U  29   1.309  37.101 -23.176
  312    H3     U  29           H3         U  29   4.022  35.871 -19.758
  313    H5     U  29           H5         U  29   0.421  33.835 -18.993
  314    H6     U  29           H6         U  29  -0.387  34.596 -21.147
  315   1H5*    C  30          1H5*        C  30   2.205  34.142 -27.131
  316   2H5*    C  30          2H5*        C  30   2.826  32.575 -27.717
  317    H4*    C  30           H4*        C  30   4.573  34.358 -27.518
  318    H3*    C  30           H3*        C  30   4.899  31.982 -25.666
  319    H2*    C  30           H2*        C  30   7.068  32.873 -25.140
  320   2HO*    C  30          2HO*        C  30   7.854  34.702 -26.302
  321    H1*    C  30           H1*        C  30   6.101  35.490 -24.973
  322   1H4     C  30          1H4         C  30   6.200  33.243 -18.995
  323   2H4     C  30          2H4         C  30   4.629  32.508 -19.230
  324    H5     C  30           H5         C  30   3.482  32.485 -21.400
  325    H6     C  30           H6         C  30   3.637  33.164 -23.713
  326   1H5*    C  31          1H5*        C  31   8.434  32.217 -27.963
  327   2H5*    C  31          2H5*        C  31   9.169  30.606 -28.190
  328    H4*    C  31           H4*        C  31  10.592  32.373 -27.013
  329    H3*    C  31           H3*        C  31  10.006  29.783 -25.557
  330    H2*    C  31           H2*        C  31  11.600  30.503 -23.923
  331   2HO*    C  31          2HO*        C  31  12.235  32.603 -25.765
  332    H1*    C  31           H1*        C  31  10.722  33.179 -24.041
  333   1H4     C  31          1H4         C  31   8.182  30.490 -18.809
  334   2H4     C  31          2H4         C  31   6.764  30.056 -19.738
  335    H5     C  31           H5         C  31   6.604  30.383 -22.169
  336    H6     C  31           H6         C  31   7.786  31.169 -24.134
  337   1H5*    U  32          1H5*        U  32  14.118  30.043 -25.422
  338   2H5*    U  32          2H5*        U  32  14.825  28.509 -25.996
  339    H4*    U  32           H4*        U  32  15.814  29.141 -23.863
  340    H3*    U  32           H3*        U  32  13.864  26.841 -23.568
  341    H2*    U  32           H2*        U  32  14.652  26.634 -21.319
  342   2HO*    U  32          2HO*        U  32  16.649  28.550 -22.052
  343    H1*    U  32           H1*        U  32  14.750  29.411 -20.935
  344    H3     U  32           H3         U  32  11.536  27.690 -18.161
  345    H5     U  32           H5         U  32   9.663  28.064 -21.917
  346    H6     U  32           H6         U  32  11.820  28.600 -22.865
  347   1H5*    C  33          1H5*        C  33  17.980  25.596 -22.310
  348   2H5*    C  33          2H5*        C  33  18.086  23.816 -22.384
  349    H4*    C  33           H4*        C  33  18.558  25.061 -20.128
  350    H3*    C  33           H3*        C  33  16.662  22.704 -20.269
  351    H2*    C  33           H2*        C  33  16.584  22.804 -17.882
  352   2HO*    C  33          2HO*        C  33  18.091  24.118 -16.736
  353    H1*    C  33           H1*        C  33  16.695  25.632 -17.842
  354   1H4     C  33          1H4         C  33  10.751  23.607 -16.491
  355   2H4     C  33          2H4         C  33  10.307  23.971 -18.139
  356    H5     C  33           H5         C  33  11.912  24.628 -19.831
  357    H6     C  33           H6         C  33  14.272  25.045 -20.281
  358   1H5*    C  34          1H5*        C  34  19.469  21.674 -17.308
  359   2H5*    C  34          2H5*        C  34  19.796  19.922 -17.354
  360    H4*    C  34           H4*        C  34  18.902  20.899 -15.157
  361    H3*    C  34           H3*        C  34  17.427  18.620 -16.502
  362    H2*    C  34           H2*        C  34  15.995  18.536 -14.593
  363   2HO*    C  34          2HO*        C  34  17.829  18.785 -13.074
  364    H1*    C  34           H1*        C  34  16.006  21.338 -14.225
  365   1H4     C  34          1H4         C  34  10.403  19.631 -16.827
  366   2H4     C  34          2H4         C  34  11.054  19.997 -18.408
  367    H5     C  34           H5         C  34  13.417  20.568 -18.777
  368    H6     C  34           H6         C  34  15.545  20.903 -17.693
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1   9.338  15.352  -9.174
    2   2H5*    G   1          2H5*        G   1   8.648  15.499 -10.791
    3    H4*    G   1           H4*        G   1  11.397  16.474  -9.983
    4    H3*    G   1           H3*        G   1   8.824  17.991 -10.455
    5    H2*    G   1           H2*        G   1  10.061  19.768 -11.269
    6   2HO*    G   1          2HO*        G   1  12.262  20.039 -10.765
    7    H1*    G   1           H1*        G   1  12.218  18.044 -12.203
    8    H8     G   1           H8         G   1   8.457  18.224 -13.295
    9    H1     G   1           H1         G   1  12.765  20.426 -17.488
   10   1H2     G   1          1H2         G   1  14.795  20.276 -16.637
   11   2H2     G   1          2H2         G   1  15.090  19.651 -15.032
   12   1H5*    G   2          1H5*        G   2  11.308  20.272  -6.576
   13   2H5*    G   2          2H5*        G   2  10.549  21.886  -6.606
   14    H4*    G   2           H4*        G   2  13.185  21.544  -6.933
   15    H3*    G   2           H3*        G   2  11.563  23.478  -8.617
   16    H2*    G   2           H2*        G   2  13.669  24.176  -9.525
   17   2HO*    G   2          2HO*        G   2  15.636  23.479  -8.521
   18    H1*    G   2           H1*        G   2  14.726  21.519  -9.380
   19    H8     G   2           H8         G   2  11.409  21.365 -11.084
   20    H1     G   2           H1         G   2  15.866  23.738 -14.984
   21   1H2     G   2          1H2         G   2  17.702  24.230 -13.868
   22   2H2     G   2          2H2         G   2  17.842  23.978 -12.140
   23   1H5*    A   3          1H5*        A   3  14.925  25.544  -6.903
   24   2H5*    A   3          2H5*        A   3  14.579  27.289  -6.787
   25    H4*    A   3           H4*        A   3  16.551  26.424  -8.307
   26    H3*    A   3           H3*        A   3  14.505  28.428  -9.281
   27    H2*    A   3           H2*        A   3  15.823  28.671 -11.242
   28   2HO*    A   3          2HO*        A   3  17.935  27.798 -11.360
   29    H1*    A   3           H1*        A   3  16.417  25.894 -11.364
   30    H8     A   3           H8         A   3  12.805  25.864 -10.790
   31   1H6     A   3          1H6         A   3  11.970  27.626 -16.674
   32   2H6     A   3          2H6         A   3  11.194  26.989 -15.238
   33    H2     A   3           H2         A   3  16.287  28.230 -15.644
   34   1H5*    G   4          1H5*        G   4  17.925  30.457 -10.172
   35   2H5*    G   4          2H5*        G   4  17.854  32.040  -9.359
   36    H4*    G   4           H4*        G   4  18.422  32.452 -11.639
   37    H3*    G   4           H3*        G   4  15.446  32.926 -11.309
   38    H2*    G   4           H2*        G   4  15.523  33.851 -13.523
   39   2HO*    G   4          2HO*        G   4  18.372  33.605 -13.288
   40    H1*    G   4           H1*        G   4  17.265  31.833 -14.424
   41    H8     G   4           H8         G   4  14.539  30.294 -12.291
   42    H1     G   4           H1         G   4  12.646  31.717 -18.239
   43   1H2     G   4          1H2         G   4  14.179  32.957 -19.244
   44   2H2     G   4          2H2         G   4  15.660  33.429 -18.448
   45   1H5*    G   5          1H5*        G   5  17.213  36.471 -12.917
   46   2H5*    G   5          2H5*        G   5  16.431  37.898 -12.188
   47    H4*    G   5           H4*        G   5  16.500  37.934 -14.692
   48    H3*    G   5           H3*        G   5  13.723  37.759 -13.490
   49    H2*    G   5           H2*        G   5  12.922  38.191 -15.705
   50   2HO*    G   5          2HO*        G   5  14.387  38.822 -17.355
   51    H1*    G   5           H1*        G   5  14.930  36.585 -16.878
   52    H8     G   5           H8         G   5  13.292  34.800 -13.945
   53    H1     G   5           H1         G   5   9.841  34.554 -19.336
   54   1H2     G   5          1H2         G   5  10.683  35.931 -20.846
   55   2H2     G   5          2H2         G   5  12.101  36.905 -20.530
   56   1H5*    A   6          1H5*        A   6  14.041  41.252 -16.049
   57   2H5*    A   6          2H5*        A   6  13.085  42.572 -15.326
   58    H4*    A   6           H4*        A   6  12.534  42.171 -17.713
   59    H3*    A   6           H3*        A   6  10.312  41.468 -15.775
   60    H2*    A   6           H2*        A   6   8.902  41.247 -17.712
   61   2HO*    A   6          2HO*        A   6  11.150  42.335 -19.122
   62    H1*    A   6           H1*        A   6  10.844  39.870 -19.137
   63    H8     A   6           H8         A   6  10.976  38.587 -15.586
   64   1H6     A   6          1H6         A   6   6.071  35.062 -17.015
   65   2H6     A   6          2H6         A   6   7.315  35.371 -15.821
   66    H2     A   6           H2         A   6   6.745  37.976 -20.346
   67   1H5*    C   7          1H5*        C   7   8.901  44.205 -18.749
   68   2H5*    C   7          2H5*        C   7   7.759  45.352 -18.011
   69    H4*    C   7           H4*        C   7   6.978  44.084 -20.101
   70    H3*    C   7           H3*        C   7   5.340  43.938 -17.558
   71    H2*    C   7           H2*        C   7   3.671  42.805 -18.836
   72   2HO*    C   7          2HO*        C   7   3.807  42.722 -21.109
   73    H1*    C   7           H1*        C   7   5.567  41.325 -20.290
   74   1H4     C   7          1H4         C   7   3.157  37.612 -15.651
   75   2H4     C   7          2H4         C   7   4.620  37.897 -14.733
   76    H5     C   7           H5         C   7   6.328  39.513 -15.419
   77    H6     C   7           H6         C   7   6.954  41.121 -17.129
   78   1H5*    A   8          1H5*        A   8   2.885  45.019 -15.753
   79   2H5*    A   8          2H5*        A   8   3.413  44.084 -17.175
   80    H4*    A   8           H4*        A   8   0.919  45.283 -17.802
   81    H3*    A   8           H3*        A   8   0.932  43.865 -15.124
   82    H2*    A   8           H2*        A   8  -1.202  42.998 -15.675
   83   2HO*    A   8          2HO*        A   8  -0.964  44.602 -18.023
   84    H1*    A   8           H1*        A   8  -0.455  42.088 -18.039
   85    H8     A   8           H8         A   8   2.557  42.173 -15.756
   86   1H6     A   8          1H6         A   8   0.703  36.606 -13.752
   87   2H6     A   8          2H6         A   8   1.991  37.788 -13.700
   88    H2     A   8           H2         A   8  -2.500  38.319 -16.395
   89   1H5*    U   9          1H5*        U   9  -3.783  44.620 -14.865
   90   2H5*    U   9          2H5*        U   9  -3.520  45.518 -13.351
   91    H4*    U   9           H4*        U   9  -4.373  43.842 -12.153
   92    H3*    U   9           H3*        U   9  -2.179  42.732 -12.124
   93    H2*    U   9           H2*        U   9  -2.304  42.354 -14.578
   94   2HO*    U   9          2HO*        U   9  -2.534  39.889 -13.220
   95    H1*    U   9           H1*        U   9  -4.732  40.665 -14.019
   96    H3     U   9           H3         U   9  -6.055  40.063 -18.322
   97    H5     U   9           H5         U   9  -2.960  42.897 -18.569
   98    H6     U   9           H6         U   9  -2.919  42.930 -16.159
   99   1H5*    C  10          1H5*        C  10  -6.379  41.763 -11.465
  100   2H5*    C  10          2H5*        C  10  -7.188  41.920  -9.885
  101    H4*    C  10           H4*        C  10  -7.824  39.645  -9.862
  102    H3*    C  10           H3*        C  10  -5.543  38.852 -11.053
  103    H2*    C  10           H2*        C  10  -6.019  40.074 -13.078
  104   2HO*    C  10          2HO*        C  10  -6.400  38.497 -14.660
  105    H1*    C  10           H1*        C  10  -8.729  38.758 -13.087
  106   1H4     C  10          1H4         C  10 -10.158  42.868 -17.720
  107   2H4     C  10          2H4         C  10  -8.762  43.853 -17.355
  108    H5     C  10           H5         C  10  -7.218  43.346 -15.511
  109    H6     C  10           H6         C  10  -6.771  41.812 -13.705
  110   1H5*    C  11          1H5*        C  11  -9.358  37.796  -8.654
  111   2H5*    C  11          2H5*        C  11 -10.257  36.274  -8.438
  112    H4*    C  11           H4*        C  11 -10.934  38.278 -10.194
  113    H3*    C  11           H3*        C  11 -12.169  35.914  -9.561
  114    H2*    C  11           H2*        C  11 -10.752  34.640 -11.029
  115   2HO*    C  11          2HO*        C  11 -12.045  34.052 -12.794
  116    H1*    C  11           H1*        C  11 -11.252  36.847 -13.054
  117   1H4     C  11          1H4         C  11  -6.811  32.660 -15.706
  118   2H4     C  11          2H4         C  11  -6.382  34.188 -16.439
  119    H5     C  11           H5         C  11  -7.393  36.314 -15.766
  120    H6     C  11           H6         C  11  -8.994  37.349 -14.293
  121   1H5*    C  12          1H5*        C  12 -14.843  38.718 -12.511
  122   2H5*    C  12          2H5*        C  12 -15.814  39.963 -11.670
  123    H4*    C  12           H4*        C  12 -17.180  38.337 -12.938
  124    H3*    C  12           H3*        C  12 -17.832  39.240 -10.399
  125    H2*    C  12           H2*        C  12 -16.914  37.313  -9.314
  126   2HO*    C  12          2HO*        C  12 -18.784  35.809  -8.997
  127    H1*    C  12           H1*        C  12 -18.143  35.609 -11.494
  128   1H4     C  12          1H4         C  12 -14.975  31.245  -8.001
  129   2H4     C  12          2H4         C  12 -13.486  31.801  -8.729
  130    H5     C  12           H5         C  12 -13.375  33.769 -10.185
  131    H6     C  12           H6         C  12 -14.669  35.545 -11.214
  132   1H5*    U  13          1H5*        U  13 -21.081  37.449 -14.876
  133   2H5*    U  13          2H5*        U  13 -20.582  36.924 -13.245
  134    H4*    U  13           H4*        U  13 -18.454  38.455 -14.344
  135    H3*    U  13           H3*        U  13 -19.726  37.236 -16.581
  136    H2*    U  13           H2*        U  13 -19.158  35.046 -15.773
  137   2HO*    U  13          2HO*        U  13 -18.139  35.310 -17.822
  138    H1*    U  13           H1*        U  13 -16.605  36.430 -14.873
  139    H3     U  13           H3         U  13 -14.486  33.126 -12.667
  140    H5     U  13           H5         U  13 -18.213  31.418 -13.559
  141    H6     U  13           H6         U  13 -18.899  33.555 -14.495
  142   1H5*    C  14          1H5*        C  14 -16.491  39.565 -19.805
  143   2H5*    C  14          2H5*        C  14 -16.824  38.111 -18.829
  144    H4*    C  14           H4*        C  14 -14.230  39.693 -18.914
  145    H3*    C  14           H3*        C  14 -14.940  36.888 -19.796
  146    H2*    C  14           H2*        C  14 -12.609  36.359 -19.493
  147   2HO*    C  14          2HO*        C  14 -11.166  38.132 -18.894
  148    H1*    C  14           H1*        C  14 -12.443  37.839 -17.119
  149   1H4     C  14          1H4         C  14 -13.253  31.880 -15.079
  150   2H4     C  14          2H4         C  14 -14.904  31.847 -15.641
  151    H5     C  14           H5         C  14 -15.939  33.724 -16.871
  152    H6     C  14           H6         C  14 -15.528  35.937 -17.788
  153   1H5*    A  15          1H5*        A  15 -12.035  36.884 -23.068
  154   2H5*    A  15          2H5*        A  15 -13.177  36.607 -24.411
  155    H4*    A  15           H4*        A  15 -11.647  34.822 -24.546
  156    H3*    A  15           H3*        A  15 -13.938  33.795 -22.858
  157    H2*    A  15           H2*        A  15 -12.921  31.621 -23.173
  158   2HO*    A  15          2HO*        A  15 -11.039  31.468 -24.491
  159    H1*    A  15           H1*        A  15 -10.429  32.687 -22.546
  160    H8     A  15           H8         A  15 -12.756  34.516 -20.330
  161   1H6     A  15          1H6         A  15 -13.043  29.485 -16.734
  162   2H6     A  15          2H6         A  15 -13.450  31.178 -16.863
  163    H2     A  15           H2         A  15 -10.964  28.403 -20.542
  164   1H5*    C  16          1H5*        C  16 -13.685  31.053 -25.858
  165   2H5*    C  16          2H5*        C  16 -15.275  30.810 -26.634
  166    H4*    C  16           H4*        C  16 -14.198  28.678 -25.979
  167    H3*    C  16           H3*        C  16 -16.712  29.421 -24.473
  168    H2*    C  16           H2*        C  16 -16.626  27.289 -23.391
  169   2HO*    C  16          2HO*        C  16 -14.998  25.762 -24.062
  170    H1*    C  16           H1*        C  16 -13.889  27.408 -22.953
  171   1H4     C  16          1H4         C  16 -16.151  29.851 -17.543
  172   2H4     C  16          2H4         C  16 -16.968  31.147 -18.389
  173    H5     C  16           H5         C  16 -16.942  31.362 -20.843
  174    H6     C  16           H6         C  16 -16.128  30.355 -22.894
  175   1H5*    G  17          1H5*        G  17 -17.628  25.635 -26.302
  176   2H5*    G  17          2H5*        G  17 -19.335  25.587 -26.812
  177    H4*    G  17           H4*        G  17 -18.625  23.742 -25.249
  178    H3*    G  17           H3*        G  17 -20.778  25.639 -24.288
  179    H2*    G  17           H2*        G  17 -21.059  24.196 -22.398
  180   2HO*    G  17          2HO*        G  17 -19.891  22.170 -22.362
  181    H1*    G  17           H1*        G  17 -18.311  23.766 -22.109
  182    H8     G  17           H8         G  17 -19.601  27.341 -22.858
  183    H1     G  17           H1         G  17 -19.006  25.863 -16.672
  184   1H2     G  17          1H2         G  17 -18.484  23.724 -16.454
  185   2H2     G  17          2H2         G  17 -18.276  22.675 -17.833
  186   1H5*    G  18          1H5*        G  18 -23.098  21.863 -23.957
  187   2H5*    G  18          2H5*        G  18 -24.584  22.320 -24.836
  188    H4*    G  18           H4*        G  18 -25.295  21.504 -22.723
  189    H3*    G  18           H3*        G  18 -25.171  24.525 -22.556
  190    H2*    G  18           H2*        G  18 -26.215  24.313 -20.429
  191   2HO*    G  18          2HO*        G  18 -27.060  22.306 -19.742
  192    H1*    G  18           H1*        G  18 -24.690  22.073 -19.724
  193    H8     G  18           H8         G  18 -22.913  25.040 -21.464
  194    H1     G  18           H1         G  18 -23.116  25.398 -15.071
  195   1H2     G  18          1H2         G  18 -24.357  23.773 -14.246
  196   2H2     G  18          2H2         G  18 -25.146  22.592 -15.270
  197   1H5*    G  19          1H5*        G  19 -28.572  27.087 -21.747
  198   2H5*    G  19          2H5*        G  19 -27.168  25.997 -21.590
  199    H4*    G  19           H4*        G  19 -29.307  24.324 -21.135
  200    H3*    G  19           H3*        G  19 -30.037  27.067 -20.160
  201    H2*    G  19           H2*        G  19 -30.430  26.434 -17.912
  202   2HO*    G  19          2HO*        G  19 -30.790  24.332 -17.326
  203    H1*    G  19           H1*        G  19 -28.314  24.806 -17.590
  204    H8     G  19           H8         G  19 -27.092  27.425 -20.058
  205    H1     G  19           H1         G  19 -27.155  29.517 -14.026
  206   1H2     G  19          1H2         G  19 -28.237  28.102 -12.736
  207   2H2     G  19          2H2         G  19 -28.952  26.631 -13.355
  208   1H5*    U  20          1H5*        U  20 -32.380  27.501 -18.130
  209   2H5*    U  20          2H5*        U  20 -32.725  25.898 -17.433
  210    H4*    U  20           H4*        U  20 -34.909  27.891 -18.021
  211    H3*    U  20           H3*        U  20 -33.204  27.683 -15.545
  212    H2*    U  20           H2*        U  20 -35.116  28.066 -14.180
  213   2HO*    U  20          2HO*        U  20 -35.926  29.833 -15.502
  214    H1*    U  20           H1*        U  20 -36.898  26.654 -15.853
  215    H3     U  20           H3         U  20 -36.211  25.023 -11.450
  216    H5     U  20           H5         U  20 -34.052  22.627 -14.156
  217    H6     U  20           H6         U  20 -34.464  24.295 -15.868
  218   1H5*    G  21          1H5*        G  21 -32.359  31.131 -12.416
  219   2H5*    G  21          2H5*        G  21 -31.110  30.301 -13.380
  220    H4*    G  21           H4*        G  21 -32.835  29.278 -11.187
  221    H3*    G  21           H3*        G  21 -30.107  28.573 -12.278
  222    H2*    G  21           H2*        G  21 -30.249  26.484 -11.148
  223   2HO*    G  21          2HO*        G  21 -31.841  26.125  -9.555
  224    H1*    G  21           H1*        G  21 -33.005  26.183 -11.613
  225    H8     G  21           H8         G  21 -31.164  27.218 -14.767
  226    H1     G  21           H1         G  21 -30.925  20.937 -13.611
  227   1H2     G  21          1H2         G  21 -31.706  20.498 -11.589
  228   2H2     G  21          2H2         G  21 -32.285  21.754 -10.521
  229   1H5*    A  22          1H5*        A  22 -29.733  28.606  -7.836
  230   2H5*    A  22          2H5*        A  22 -28.057  28.936  -7.319
  231    H4*    A  22           H4*        A  22 -28.920  26.782  -6.445
  232    H3*    A  22           H3*        A  22 -26.601  26.631  -8.399
  233    H2*    A  22           H2*        A  22 -26.595  24.247  -8.217
  234   2HO*    A  22          2HO*        A  22 -27.867  23.227  -6.607
  235    H1*    A  22           H1*        A  22 -29.284  23.943  -8.277
  236    H8     A  22           H8         A  22 -27.923  26.707 -10.596
  237   1H6     A  22          1H6         A  22 -27.534  22.324 -14.908
  238   2H6     A  22          2H6         A  22 -27.383  24.035 -14.580
  239    H2     A  22           H2         A  22 -28.643  20.384 -11.039
  240   1H5*    C  23          1H5*        C  23 -22.174  27.477  -6.553
  241   2H5*    C  23          2H5*        C  23 -23.314  28.251  -7.686
  242    H4*    C  23           H4*        C  23 -23.830  25.417  -6.907
  243    H3*    C  23           H3*        C  23 -21.621  26.262  -8.784
  244    H2*    C  23           H2*        C  23 -22.142  24.375 -10.164
  245   2HO*    C  23          2HO*        C  23 -23.619  22.790  -9.438
  246    H1*    C  23           H1*        C  23 -24.885  24.718  -9.955
  247   1H4     C  23          1H4         C  23 -23.004  27.767 -15.265
  248   2H4     C  23          2H4         C  23 -22.973  29.264 -14.360
  249    H5     C  23           H5         C  23 -23.302  29.353 -11.924
  250    H6     C  23           H6         C  23 -23.730  28.035  -9.953
  251   1H5*    C  24          1H5*        C  24 -20.875  22.311  -8.510
  252   2H5*    C  24          2H5*        C  24 -19.171  22.003  -8.078
  253    H4*    C  24           H4*        C  24 -19.791  20.789 -10.110
  254    H3*    C  24           H3*        C  24 -17.949  23.139 -10.620
  255    H2*    C  24           H2*        C  24 -17.761  22.367 -12.879
  256   2HO*    C  24          2HO*        C  24 -18.680  20.345 -13.472
  257    H1*    C  24           H1*        C  24 -20.486  21.793 -13.074
  258   1H4     C  24          1H4         C  24 -19.563  27.593 -15.598
  259   2H4     C  24          2H4         C  24 -19.927  28.314 -14.049
  260    H5     C  24           H5         C  24 -20.279  26.985 -12.000
  261    H6     C  24           H6         C  24 -20.308  24.744 -11.103
  262   1H5*    G  25          1H5*        G  25 -15.840  20.000 -12.403
  263   2H5*    G  25          2H5*        G  25 -14.200  19.976 -11.701
  264    H4*    G  25           H4*        G  25 -14.080  19.897 -14.136
  265    H3*    G  25           H3*        G  25 -13.265  22.596 -13.023
  266    H2*    G  25           H2*        G  25 -12.596  23.187 -15.239
  267   2HO*    G  25          2HO*        G  25 -12.940  20.401 -15.821
  268    H1*    G  25           H1*        G  25 -14.776  21.863 -16.429
  269    H8     G  25           H8         G  25 -15.219  24.176 -13.320
  270    H1     G  25           H1         G  25 -16.260  26.967 -18.989
  271   1H2     G  25          1H2         G  25 -15.776  25.572 -20.628
  272   2H2     G  25          2H2         G  25 -15.206  23.945 -20.336
  273   1H5*    U  26          1H5*        U  26  -9.873  20.866 -15.400
  274   2H5*    U  26          2H5*        U  26  -8.361  21.464 -14.664
  275    H4*    U  26           H4*        U  26  -8.499  21.913 -17.107
  276    H3*    U  26           H3*        U  26  -8.548  24.356 -15.318
  277    H2*    U  26           H2*        U  26  -8.397  25.689 -17.298
  278   2HO*    U  26          2HO*        U  26  -8.085  23.236 -18.740
  279    H1*    U  26           H1*        U  26 -10.244  24.165 -18.692
  280    H3     U  26           H3         U  26 -12.907  27.703 -17.940
  281    H5     U  26           H5         U  26 -11.916  26.416 -14.038
  282    H6     U  26           H6         U  26 -10.494  24.738 -15.029
  283   1H5*    G  27          1H5*        G  27  -5.481  25.027 -17.998
  284   2H5*    G  27          2H5*        G  27  -4.102  25.906 -17.285
  285    H4*    G  27           H4*        G  27  -5.441  26.917 -19.307
  286    H3*    G  27           H3*        G  27  -3.897  28.181 -17.272
  287    H2*    G  27           H2*        G  27  -5.658  29.231 -16.187
  288   2HO*    G  27          2HO*        G  27  -6.103  31.247 -17.012
  289    H1*    G  27           H1*        G  27  -7.315  29.342 -18.726
  290    H8     G  27           H8         G  27  -8.154  27.280 -15.628
  291    H1     G  27           H1         G  27 -11.383  32.776 -16.004
  292   1H2     G  27          1H2         G  27 -10.586  34.046 -17.617
  293   2H2     G  27          2H2         G  27  -9.253  33.529 -18.631
  294   1H5*    G  28          1H5*        G  28  -4.074  32.288 -18.628
  295   2H5*    G  28          2H5*        G  28  -5.240  31.729 -19.855
  296    H4*    G  28           H4*        G  28  -4.844  33.485 -21.183
  297    H3*    G  28           H3*        G  28  -1.904  33.085 -20.579
  298    H2*    G  28           H2*        G  28  -1.466  35.298 -21.402
  299   2HO*    G  28          2HO*        G  28  -3.216  36.534 -22.279
  300    H1*    G  28           H1*        G  28  -3.482  36.447 -19.980
  301    H8     G  28           H8         G  28  -2.701  33.974 -17.436
  302    H1     G  28           H1         G  28   2.275  37.917 -18.290
  303   1H2     G  28          1H2         G  28   2.029  39.067 -20.163
  304   2H2     G  28          2H2         G  28   0.645  38.854 -21.210
  305   1H5*    U  29          1H5*        U  29  -1.301  35.005 -23.849
  306   2H5*    U  29          2H5*        U  29  -0.669  33.895 -25.094
  307    H4*    U  29           H4*        U  29   0.698  35.881 -25.065
  308    H3*    U  29           H3*        U  29   2.097  33.599 -23.646
  309    H2*    U  29           H2*        U  29   4.038  34.998 -23.594
  310   2HO*    U  29          2HO*        U  29   4.014  37.015 -24.711
  311    H1*    U  29           H1*        U  29   2.567  37.263 -22.905
  312    H3     U  29           H3         U  29   5.225  36.042 -19.368
  313    H5     U  29           H5         U  29   1.752  33.689 -19.016
  314    H6     U  29           H6         U  29   1.074  34.479 -21.204
  315   1H5*    C  30          1H5*        C  30   4.565  34.946 -26.854
  316   2H5*    C  30          2H5*        C  30   5.446  33.589 -27.608
  317    H4*    C  30           H4*        C  30   6.930  35.461 -26.913
  318    H3*    C  30           H3*        C  30   7.313  32.895 -25.348
  319    H2*    C  30           H2*        C  30   9.286  33.928 -24.444
  320   2HO*    C  30          2HO*        C  30  10.019  35.923 -25.274
  321    H1*    C  30           H1*        C  30   7.989  36.382 -24.091
  322   1H4     C  30          1H4         C  30   7.822  33.340 -18.469
  323   2H4     C  30          2H4         C  30   6.307  32.588 -18.920
  324    H5     C  30           H5         C  30   5.315  32.821 -21.161
  325    H6     C  30           H6         C  30   5.616  33.802 -23.352
  326   1H5*    C  31          1H5*        C  31  11.003  33.865 -27.180
  327   2H5*    C  31          2H5*        C  31  11.965  32.407 -27.542
  328    H4*    C  31           H4*        C  31  13.050  34.157 -26.032
  329    H3*    C  31           H3*        C  31  12.703  31.349 -24.948
  330    H2*    C  31           H2*        C  31  14.084  32.049 -23.121
  331   2HO*    C  31          2HO*        C  31  15.143  34.094 -23.208
  332    H1*    C  31           H1*        C  31  12.882  34.595 -23.014
  333   1H4     C  31          1H4         C  31  10.464  30.938 -18.323
  334   2H4     C  31          2H4         C  31   9.099  30.569 -19.353
  335    H5     C  31           H5         C  31   8.975  31.266 -21.708
  336    H6     C  31           H6         C  31  10.153  32.418 -23.485
  337   1H5*    U  32          1H5*        U  32  16.689  32.324 -24.375
  338   2H5*    U  32          2H5*        U  32  17.709  30.996 -24.985
  339    H4*    U  32           H4*        U  32  18.350  31.678 -22.703
  340    H3*    U  32           H3*        U  32  17.042  28.950 -22.832
  341    H2*    U  32           H2*        U  32  17.684  28.684 -20.541
  342   2HO*    U  32          2HO*        U  32  19.112  30.188 -19.566
  343    H1*    U  32           H1*        U  32  17.105  31.377 -19.921
  344    H3     U  32           H3         U  32  14.350  28.594 -17.499
  345    H5     U  32           H5         U  32  12.483  29.060 -21.247
  346    H6     U  32           H6         U  32  14.485  30.171 -22.037
  347   1H5*    C  33          1H5*        C  33  20.468  28.217 -20.785
  348   2H5*    C  33          2H5*        C  33  21.428  27.031 -21.707
  349    H4*    C  33           H4*        C  33  21.437  26.283 -19.453
  350    H3*    C  33           H3*        C  33  19.269  24.767 -20.930
  351    H2*    C  33           H2*        C  33  19.029  23.454 -18.964
  352   2HO*    C  33          2HO*        C  33  20.636  23.582 -17.295
  353    H1*    C  33           H1*        C  33  19.699  25.677 -17.261
  354   1H4     C  33          1H4         C  33  13.431  24.682 -16.413
  355   2H4     C  33          2H4         C  33  13.076  25.451 -17.942
  356    H5     C  33           H5         C  33  14.833  26.215 -19.486
  357    H6     C  33           H6         C  33  17.213  26.365 -19.822
  358   1H5*    C  34          1H5*        C  34  21.048  21.499 -19.304
  359   2H5*    C  34          2H5*        C  34  21.519  20.446 -20.666
  360    H4*    C  34           H4*        C  34  20.158  19.209 -19.023
  361    H3*    C  34           H3*        C  34  18.584  19.825 -21.543
  362    H2*    C  34           H2*        C  34  16.934  18.356 -20.689
  363   2HO*    C  34          2HO*        C  34  19.060  17.446 -19.009
  364    H1*    C  34           H1*        C  34  17.503  19.141 -17.980
  365   1H4     C  34          1H4         C  34  11.844  21.708 -19.379
  366   2H4     C  34          2H4         C  34  12.631  23.063 -20.167
  367    H5     C  34           H5         C  34  15.091  23.167 -20.513
  368    H6     C  34           H6         C  34  17.178  21.966 -20.154
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1   4.181  17.158 -13.997
    2   2H5*    G   1          2H5*        G   1   4.970  17.358 -15.561
    3    H4*    G   1           H4*        G   1   6.047  15.718 -13.257
    4    H3*    G   1           H3*        G   1   6.815  18.472 -14.255
    5    H2*    G   1           H2*        G   1   9.074  18.008 -13.606
    6   2HO*    G   1          2HO*        G   1   9.580  16.225 -12.344
    7    H1*    G   1           H1*        G   1   9.053  15.437 -14.611
    8    H8     G   1           H8         G   1   7.263  16.872 -17.394
    9    H1     G   1           H1         G   1  13.117  19.430 -17.092
   10   1H2     G   1          1H2         G   1  14.043  19.011 -15.130
   11   2H2     G   1          2H2         G   1  13.219  18.102 -13.882
   12   1H5*    G   2          1H5*        G   2   8.357  18.296 -10.170
   13   2H5*    G   2          2H5*        G   2   8.166  19.895  -9.399
   14    H4*    G   2           H4*        G   2  10.521  18.960  -9.420
   15    H3*    G   2           H3*        G   2   9.969  21.615 -10.767
   16    H2*    G   2           H2*        G   2  12.320  21.835 -11.168
   17   2HO*    G   2          2HO*        G   2  13.775  20.297 -10.299
   18    H1*    G   2           H1*        G   2  12.611  19.278 -12.069
   19    H8     G   2           H8         G   2   9.232  20.125 -13.392
   20    H1     G   2           H1         G   2  13.833  23.304 -16.481
   21   1H2     G   2          1H2         G   2  15.752  23.172 -15.383
   22   2H2     G   2          2H2         G   2  15.902  22.281 -13.885
   23   1H5*    A   3          1H5*        A   3  13.238  22.533  -8.842
   24   2H5*    A   3          2H5*        A   3  13.126  24.083  -7.967
   25    H4*    A   3           H4*        A   3  14.962  23.920  -9.726
   26    H3*    A   3           H3*        A   3  12.844  26.054 -10.047
   27    H2*    A   3           H2*        A   3  14.072  26.907 -11.858
   28   2HO*    A   3          2HO*        A   3  16.255  26.281 -12.226
   29    H1*    A   3           H1*        A   3  14.928  24.316 -12.727
   30    H8     A   3           H8         A   3  11.244  24.141 -12.356
   31   1H6     A   3          1H6         A   3  10.827  27.092 -17.806
   32   2H6     A   3          2H6         A   3   9.941  26.191 -16.591
   33    H2     A   3           H2         A   3  15.065  27.361 -16.365
   34   1H5*    G   4          1H5*        G   4  16.431  28.396  -9.999
   35   2H5*    G   4          2H5*        G   4  16.091  29.803  -8.961
   36    H4*    G   4           H4*        G   4  16.927  30.542 -11.122
   37    H3*    G   4           H3*        G   4  13.941  31.014 -10.904
   38    H2*    G   4           H2*        G   4  14.181  32.310 -12.911
   39   2HO*    G   4          2HO*        G   4  16.259  32.821 -13.708
   40    H1*    G   4           H1*        G   4  16.007  30.458 -14.014
   41    H8     G   4           H8         G   4  13.093  28.592 -12.494
   42    H1     G   4           H1         G   4  11.737  31.221 -18.174
   43   1H2     G   4          1H2         G   4  13.354  32.614 -18.767
   44   2H2     G   4          2H2         G   4  14.759  32.887 -17.768
   45   1H5*    G   5          1H5*        G   5  15.962  35.038 -11.392
   46   2H5*    G   5          2H5*        G   5  14.790  36.242 -10.789
   47    H4*    G   5           H4*        G   5  15.640  36.370 -13.265
   48    H3*    G   5           H3*        G   5  12.683  36.488 -12.615
   49    H2*    G   5           H2*        G   5  12.361  37.056 -14.920
   50   2HO*    G   5          2HO*        G   5  15.204  37.410 -14.946
   51    H1*    G   5           H1*        G   5  14.371  35.265 -15.780
   52    H8     G   5           H8         G   5  12.231  33.325 -13.389
   53    H1     G   5           H1         G   5   9.279  34.289 -18.985
   54   1H2     G   5          1H2         G   5  10.348  35.808 -20.185
   55   2H2     G   5          2H2         G   5  11.808  36.585 -19.612
   56   1H5*    A   6          1H5*        A   6  13.625  39.887 -15.062
   57   2H5*    A   6          2H5*        A   6  12.856  41.300 -14.295
   58    H4*    A   6           H4*        A   6  12.342  41.186 -16.696
   59    H3*    A   6           H3*        A   6   9.968  40.574 -14.915
   60    H2*    A   6           H2*        A   6   8.619  40.637 -16.897
   61   2HO*    A   6          2HO*        A   6   9.568  41.283 -18.891
   62    H1*    A   6           H1*        A   6  10.452  39.204 -18.390
   63    H8     A   6           H8         A   6  10.317  37.667 -14.926
   64   1H6     A   6          1H6         A   6   5.226  34.681 -16.853
   65   2H6     A   6          2H6         A   6   6.422  34.804 -15.579
   66    H2     A   6           H2         A   6   6.345  37.747 -19.938
   67   1H5*    C   7          1H5*        C   7   8.977  43.574 -17.790
   68   2H5*    C   7          2H5*        C   7   7.972  44.824 -17.019
   69    H4*    C   7           H4*        C   7   7.083  43.806 -19.184
   70    H3*    C   7           H3*        C   7   5.401  43.727 -16.668
   71    H2*    C   7           H2*        C   7   3.637  42.784 -17.936
   72   2HO*    C   7          2HO*        C   7   3.687  42.801 -20.213
   73    H1*    C   7           H1*        C   7   5.309  41.217 -19.547
   74   1H4     C   7          1H4         C   7   2.781  37.300 -15.173
   75   2H4     C   7          2H4         C   7   4.091  37.682 -14.079
   76    H5     C   7           H5         C   7   5.773  39.397 -14.555
   77    H6     C   7           H6         C   7   6.515  41.038 -16.176
   78   1H5*    A   8          1H5*        A   8   1.115  46.329 -17.334
   79   2H5*    A   8          2H5*        A   8   1.655  44.938 -16.356
   80    H4*    A   8           H4*        A   8   0.246  44.881 -19.031
   81    H3*    A   8           H3*        A   8  -0.446  43.821 -16.293
   82    H2*    A   8           H2*        A   8  -1.842  42.188 -17.383
   83   2HO*    A   8          2HO*        A   8  -1.142  43.708 -19.687
   84    H1*    A   8           H1*        A   8   0.154  41.374 -18.911
   85    H8     A   8           H8         A   8   2.217  42.575 -16.209
   86   1H6     A   8          1H6         A   8   0.282  37.845 -12.689
   87   2H6     A   8          2H6         A   8   1.478  39.111 -12.844
   88    H2     A   8           H2         A   8  -2.408  38.178 -16.277
   89   1H5*    U   9          1H5*        U   9  -3.663  43.751 -18.501
   90   2H5*    U   9          2H5*        U   9  -5.067  44.328 -19.373
   91    H4*    U   9           H4*        U   9  -5.939  45.237 -17.278
   92    H3*    U   9           H3*        U   9  -3.903  45.339 -15.824
   93    H2*    U   9           H2*        U   9  -3.209  43.305 -17.027
   94   2HO*    U   9          2HO*        U   9  -2.583  41.881 -15.235
   95    H1*    U   9           H1*        U   9  -5.365  41.908 -15.479
   96    H3     U   9           H3         U   9  -4.915  37.793 -17.284
   97    H5     U   9           H5         U   9  -2.630  40.226 -19.813
   98    H6     U   9           H6         U   9  -3.365  42.091 -18.540
   99   1H5*    C  10          1H5*        C  10  -7.698  43.222 -15.744
  100   2H5*    C  10          2H5*        C  10  -9.157  44.233 -15.676
  101    H4*    C  10           H4*        C  10 -10.121  42.867 -13.954
  102    H3*    C  10           H3*        C  10  -7.776  42.256 -12.879
  103    H2*    C  10           H2*        C  10  -6.850  41.268 -14.846
  104   2HO*    C  10          2HO*        C  10  -6.739  39.029 -14.475
  105    H1*    C  10           H1*        C  10  -9.247  39.522 -15.275
  106   1H4     C  10          1H4         C  10  -6.255  39.038 -20.901
  107   2H4     C  10          2H4         C  10  -6.472  40.749 -21.189
  108    H5     C  10           H5         C  10  -7.452  42.260 -19.522
  109    H6     C  10           H6         C  10  -8.418  42.379 -17.296
  110   1H5*    C  11          1H5*        C  11  -5.842  41.029  -9.674
  111   2H5*    C  11          2H5*        C  11  -7.310  40.217  -9.067
  112    H4*    C  11           H4*        C  11  -7.876  42.140  -8.070
  113    H3*    C  11           H3*        C  11  -8.909  42.613 -10.567
  114    H2*    C  11           H2*        C  11  -6.914  43.569 -11.440
  115   2HO*    C  11          2HO*        C  11  -7.200  45.870 -11.440
  116    H1*    C  11           H1*        C  11  -6.628  45.202  -8.902
  117   1H4     C  11          1H4         C  11  -0.981  46.508 -11.575
  118   2H4     C  11          2H4         C  11  -0.679  44.814 -11.884
  119    H5     C  11           H5         C  11  -2.320  43.055 -11.375
  120    H6     C  11           H6         C  11  -4.525  42.621 -10.481
  121   1H5*    C  12          1H5*        C  12 -10.870  42.461 -11.891
  122   2H5*    C  12          2H5*        C  12 -12.087  43.757 -11.737
  123    H4*    C  12           H4*        C  12 -12.979  41.498 -12.396
  124    H3*    C  12           H3*        C  12 -14.207  43.328 -10.686
  125    H2*    C  12           H2*        C  12 -13.579  42.199  -8.686
  126   2HO*    C  12          2HO*        C  12 -15.357  41.011  -7.966
  127    H1*    C  12           H1*        C  12 -14.017  39.549 -10.091
  128   1H4     C  12          1H4         C  12 -11.234  38.153  -4.333
  129   2H4     C  12          2H4         C  12  -9.948  37.558  -5.357
  130    H5     C  12           H5         C  12  -9.900  37.922  -7.777
  131    H6     C  12           H6         C  12 -11.055  38.914  -9.647
  132   1H5*    U  13          1H5*        U  13 -18.675  39.859 -11.093
  133   2H5*    U  13          2H5*        U  13 -17.285  40.494 -10.183
  134    H4*    U  13           H4*        U  13 -16.350  39.804 -12.733
  135    H3*    U  13           H3*        U  13 -18.447  38.188 -12.662
  136    H2*    U  13           H2*        U  13 -18.108  37.484 -10.400
  137   2HO*    U  13          2HO*        U  13 -18.314  35.615 -11.742
  138    H1*    U  13           H1*        U  13 -15.238  36.884 -11.001
  139    H3     U  13           H3         U  13 -17.257  38.673  -6.389
  140    H5     U  13           H5         U  13 -14.100  35.936  -6.684
  141    H6     U  13           H6         U  13 -14.247  36.103  -9.099
  142   1H5*    C  14          1H5*        C  14 -15.075  38.945 -13.748
  143   2H5*    C  14          2H5*        C  14 -15.428  40.559 -14.410
  144    H4*    C  14           H4*        C  14 -13.688  40.454 -15.801
  145    H3*    C  14           H3*        C  14 -14.633  37.672 -16.517
  146    H2*    C  14           H2*        C  14 -12.490  37.208 -17.476
  147   2HO*    C  14          2HO*        C  14 -11.884  39.946 -16.877
  148    H1*    C  14           H1*        C  14 -11.101  38.091 -15.328
  149   1H4     C  14          1H4         C  14 -12.859  32.030 -14.051
  150   2H4     C  14          2H4         C  14 -14.089  32.648 -12.975
  151    H5     C  14           H5         C  14 -14.612  35.047 -12.774
  152    H6     C  14           H6         C  14 -14.047  37.257 -13.592
  153   1H5*    A  15          1H5*        A  15 -13.142  38.543 -20.586
  154   2H5*    A  15          2H5*        A  15 -14.562  38.072 -21.561
  155    H4*    A  15           H4*        A  15 -12.457  36.852 -22.152
  156    H3*    A  15           H3*        A  15 -14.697  35.160 -21.009
  157    H2*    A  15           H2*        A  15 -13.382  33.242 -21.656
  158   2HO*    A  15          2HO*        A  15 -11.375  33.614 -22.769
  159    H1*    A  15           H1*        A  15 -11.075  34.358 -20.598
  160    H8     A  15           H8         A  15 -13.645  35.489 -18.206
  161   1H6     A  15          1H6         A  15 -13.826  29.772 -15.846
  162   2H6     A  15          2H6         A  15 -14.319  31.436 -15.623
  163    H2     A  15           H2         A  15 -11.498  29.647 -19.680
  164   1H5*    C  16          1H5*        C  16 -14.010  33.311 -24.641
  165   2H5*    C  16          2H5*        C  16 -15.547  33.071 -25.519
  166    H4*    C  16           H4*        C  16 -14.224  30.982 -25.287
  167    H3*    C  16           H3*        C  16 -16.847  31.059 -23.779
  168    H2*    C  16           H2*        C  16 -16.514  28.745 -23.260
  169   2HO*    C  16          2HO*        C  16 -14.258  28.877 -25.025
  170    H1*    C  16           H1*        C  16 -13.817  29.089 -22.683
  171   1H4     C  16          1H4         C  16 -16.581  29.596 -16.981
  172   2H4     C  16          2H4         C  16 -17.393  31.077 -17.442
  173    H5     C  16           H5         C  16 -17.231  32.036 -19.689
  174    H6     C  16           H6         C  16 -16.253  31.755 -21.887
  175   1H5*    G  17          1H5*        G  17 -17.348  27.642 -26.628
  176   2H5*    G  17          2H5*        G  17 -19.103  27.468 -26.887
  177    H4*    G  17           H4*        G  17 -17.816  25.477 -25.869
  178    H3*    G  17           H3*        G  17 -20.254  26.613 -24.479
  179    H2*    G  17           H2*        G  17 -20.102  24.776 -22.944
  180   2HO*    G  17          2HO*        G  17 -18.572  23.101 -23.327
  181    H1*    G  17           H1*        G  17 -17.354  24.990 -22.697
  182    H8     G  17           H8         G  17 -18.869  28.479 -22.851
  183    H1     G  17           H1         G  17 -19.372  25.723 -17.115
  184   1H2     G  17          1H2         G  17 -18.835  23.578 -17.235
  185   2H2     G  17          2H2         G  17 -18.336  22.831 -18.735
  186   1H5*    G  18          1H5*        G  18 -20.938  22.424 -24.894
  187   2H5*    G  18          2H5*        G  18 -22.611  22.171 -25.460
  188    H4*    G  18           H4*        G  18 -22.124  20.801 -23.482
  189    H3*    G  18           H3*        G  18 -24.015  23.102 -22.931
  190    H2*    G  18           H2*        G  18 -24.353  22.153 -20.759
  191   2HO*    G  18          2HO*        G  18 -23.425  20.113 -20.249
  192    H1*    G  18           H1*        G  18 -21.664  21.639 -20.376
  193    H8     G  18           H8         G  18 -22.122  24.963 -22.186
  194    H1     G  18           H1         G  18 -23.000  25.369 -15.861
  195   1H2     G  18          1H2         G  18 -23.079  23.353 -14.961
  196   2H2     G  18          2H2         G  18 -22.906  21.897 -15.919
  197   1H5*    G  19          1H5*        G  19 -26.004  19.939 -21.367
  198   2H5*    G  19          2H5*        G  19 -27.738  19.993 -21.781
  199    H4*    G  19           H4*        G  19 -27.238  19.916 -19.309
  200    H3*    G  19           H3*        G  19 -28.657  22.387 -20.344
  201    H2*    G  19           H2*        G  19 -28.959  23.024 -18.061
  202   2HO*    G  19          2HO*        G  19 -28.776  21.578 -16.413
  203    H1*    G  19           H1*        G  19 -26.393  22.128 -17.312
  204    H8     G  19           H8         G  19 -25.869  24.078 -20.461
  205    H1     G  19           H1         G  19 -27.142  27.880 -15.478
  206   1H2     G  19          1H2         G  19 -27.896  26.692 -13.782
  207   2H2     G  19          2H2         G  19 -28.083  24.955 -13.865
  208   1H5*    U  20          1H5*        U  20 -31.331  23.577 -20.027
  209   2H5*    U  20          2H5*        U  20 -31.120  22.453 -18.662
  210    H4*    U  20           H4*        U  20 -33.744  23.528 -19.731
  211    H3*    U  20           H3*        U  20 -32.185  24.106 -17.210
  212    H2*    U  20           H2*        U  20 -34.231  24.373 -16.021
  213   2HO*    U  20          2HO*        U  20 -35.279  25.645 -17.685
  214    H1*    U  20           H1*        U  20 -35.572  22.314 -17.410
  215    H3     U  20           H3         U  20 -34.675  21.790 -12.740
  216    H5     U  20           H5         U  20 -32.133  19.286 -14.978
  217    H6     U  20           H6         U  20 -32.813  20.489 -16.976
  218   1H5*    G  21          1H5*        G  21 -32.637  28.669 -15.223
  219   2H5*    G  21          2H5*        G  21 -31.068  27.883 -15.542
  220    H4*    G  21           H4*        G  21 -33.008  27.455 -13.351
  221    H3*    G  21           H3*        G  21 -30.052  26.943 -13.719
  222    H2*    G  21           H2*        G  21 -30.117  25.533 -11.804
  223   2HO*    G  21          2HO*        G  21 -31.335  26.790 -10.383
  224    H1*    G  21           H1*        G  21 -32.682  24.526 -12.384
  225    H8     G  21           H8         G  21 -30.397  24.487 -15.419
  226    H1     G  21           H1         G  21 -29.669  19.423 -11.588
  227   1H2     G  21          1H2         G  21 -30.775  19.725  -9.696
  228   2H2     G  21          2H2         G  21 -31.691  21.179  -9.375
  229   1H5*    A  22          1H5*        A  22 -30.509  28.928  -9.801
  230   2H5*    A  22          2H5*        A  22 -29.030  29.761  -9.243
  231    H4*    A  22           H4*        A  22 -29.747  27.968  -7.685
  232    H3*    A  22           H3*        A  22 -27.167  27.467  -9.182
  233    H2*    A  22           H2*        A  22 -26.866  25.485  -7.822
  234   2HO*    A  22          2HO*        A  22 -27.652  26.303  -5.825
  235    H1*    A  22           H1*        A  22 -29.468  24.686  -8.133
  236    H8     A  22           H8         A  22 -27.877  26.352 -11.239
  237   1H6     A  22          1H6         A  22 -26.253  20.640 -12.928
  238   2H6     A  22          2H6         A  22 -26.291  22.323 -13.403
  239    H2     A  22           H2         A  22 -28.064  20.438  -8.839
  240   1H5*    C  23          1H5*        C  23 -23.120  27.578  -7.231
  241   2H5*    C  23          2H5*        C  23 -22.943  28.046  -8.945
  242    H4*    C  23           H4*        C  23 -24.030  25.495  -7.769
  243    H3*    C  23           H3*        C  23 -21.876  26.193  -9.748
  244    H2*    C  23           H2*        C  23 -22.307  24.244 -11.044
  245   2HO*    C  23          2HO*        C  23 -23.761  22.647 -10.287
  246    H1*    C  23           H1*        C  23 -24.984  24.471 -11.069
  247   1H4     C  23          1H4         C  23 -22.863  28.037 -15.946
  248   2H4     C  23          2H4         C  23 -23.047  29.464 -14.950
  249    H5     C  23           H5         C  23 -23.624  29.358 -12.571
  250    H6     C  23           H6         C  23 -24.134  27.878 -10.735
  251   1H5*    C  24          1H5*        C  24 -21.142  22.208  -9.132
  252   2H5*    C  24          2H5*        C  24 -19.420  21.899  -8.782
  253    H4*    C  24           H4*        C  24 -20.226  20.567 -10.697
  254    H3*    C  24           H3*        C  24 -18.237  22.743 -11.380
  255    H2*    C  24           H2*        C  24 -18.195  21.896 -13.622
  256   2HO*    C  24          2HO*        C  24 -19.364  19.972 -14.125
  257    H1*    C  24           H1*        C  24 -20.930  21.649 -13.777
  258   1H4     C  24          1H4         C  24 -19.475  27.490 -15.955
  259   2H4     C  24          2H4         C  24 -19.814  28.142 -14.372
  260    H5     C  24           H5         C  24 -20.306  26.731 -12.422
  261    H6     C  24           H6         C  24 -20.537  24.458 -11.662
  262   1H5*    G  25          1H5*        G  25 -16.523  19.457 -13.239
  263   2H5*    G  25          2H5*        G  25 -14.831  19.309 -12.690
  264    H4*    G  25           H4*        G  25 -14.964  19.269 -15.135
  265    H3*    G  25           H3*        G  25 -13.775  21.823 -14.020
  266    H2*    G  25           H2*        G  25 -13.256  22.454 -16.274
  267   2HO*    G  25          2HO*        G  25 -13.530  20.977 -17.976
  268    H1*    G  25           H1*        G  25 -15.715  21.659 -17.250
  269    H8     G  25           H8         G  25 -15.888  23.257 -13.762
  270    H1     G  25           H1         G  25 -16.097  27.439 -18.601
  271   1H2     G  25          1H2         G  25 -15.665  26.422 -20.511
  272   2H2     G  25          2H2         G  25 -15.345  24.702 -20.603
  273   1H5*    U  26          1H5*        U  26 -11.171  20.583 -16.988
  274   2H5*    U  26          2H5*        U  26  -9.500  20.612 -16.369
  275    H4*    U  26           H4*        U  26  -9.641  21.829 -18.477
  276    H3*    U  26           H3*        U  26  -9.343  23.679 -16.100
  277    H2*    U  26           H2*        U  26  -9.015  25.450 -17.686
  278   2HO*    U  26          2HO*        U  26  -8.906  24.926 -19.942
  279    H1*    U  26           H1*        U  26 -11.087  24.572 -19.316
  280    H3     U  26           H3         U  26 -12.991  28.265 -17.564
  281    H5     U  26           H5         U  26 -12.538  25.719 -14.222
  282    H6     U  26           H6         U  26 -11.384  24.156 -15.657
  283   1H5*    G  27          1H5*        G  27  -6.346  24.539 -18.799
  284   2H5*    G  27          2H5*        G  27  -4.801  24.969 -18.022
  285    H4*    G  27           H4*        G  27  -5.893  26.625 -19.692
  286    H3*    G  27           H3*        G  27  -4.216  27.110 -17.457
  287    H2*    G  27           H2*        G  27  -5.822  28.161 -16.131
  288   2HO*    G  27          2HO*        G  27  -4.485  29.911 -16.743
  289    H1*    G  27           H1*        G  27  -7.317  29.171 -18.566
  290    H8     G  27           H8         G  27  -8.435  26.749 -15.767
  291    H1     G  27           H1         G  27 -11.198  32.517 -15.558
  292   1H2     G  27          1H2         G  27 -10.282  33.867 -17.054
  293   2H2     G  27          2H2         G  27  -8.995  33.340 -18.117
  294   1H5*    G  28          1H5*        G  28  -3.993  31.460 -18.171
  295   2H5*    G  28          2H5*        G  28  -5.005  30.829 -19.496
  296    H4*    G  28           H4*        G  28  -4.705  32.665 -20.719
  297    H3*    G  28           H3*        G  28  -1.770  32.410 -20.044
  298    H2*    G  28           H2*        G  28  -1.408  34.686 -20.655
  299   2HO*    G  28          2HO*        G  28  -3.187  35.897 -21.571
  300    H1*    G  28           H1*        G  28  -3.634  35.647 -19.391
  301    H8     G  28           H8         G  28  -2.928  33.347 -16.747
  302    H1     G  28           H1         G  28   1.979  37.431 -17.333
  303   1H2     G  28          1H2         G  28   1.872  38.495 -19.271
  304   2H2     G  28          2H2         G  28   0.596  38.189 -20.428
  305   1H5*    U  29          1H5*        U  29  -1.505  34.469 -23.593
  306   2H5*    U  29          2H5*        U  29  -0.760  33.379 -24.793
  307    H4*    U  29           H4*        U  29   0.299  35.539 -24.956
  308    H3*    U  29           H3*        U  29   2.034  33.503 -23.538
  309    H2*    U  29           H2*        U  29   3.790  35.125 -23.473
  310   2HO*    U  29          2HO*        U  29   3.494  37.158 -24.518
  311    H1*    U  29           H1*        U  29   2.174  37.144 -22.608
  312    H3     U  29           H3         U  29   4.784  35.512 -19.168
  313    H5     U  29           H5         U  29   1.173  33.354 -19.025
  314    H6     U  29           H6         U  29   0.584  34.329 -21.160
  315   1H5*    C  30          1H5*        C  30   4.425  35.053 -26.793
  316   2H5*    C  30          2H5*        C  30   5.459  33.760 -27.459
  317    H4*    C  30           H4*        C  30   6.684  35.826 -26.686
  318    H3*    C  30           H3*        C  30   7.331  33.219 -25.286
  319    H2*    C  30           H2*        C  30   9.127  34.387 -24.204
  320   2HO*    C  30          2HO*        C  30   8.479  36.538 -25.982
  321    H1*    C  30           H1*        C  30   7.567  36.646 -23.710
  322   1H4     C  30          1H4         C  30   7.353  33.011 -18.428
  323   2H4     C  30          2H4         C  30   5.888  32.266 -19.025
  324    H5     C  30           H5         C  30   4.994  32.690 -21.268
  325    H6     C  30           H6         C  30   5.344  33.898 -23.326
  326   1H5*    C  31          1H5*        C  31  10.969  34.648 -26.768
  327   2H5*    C  31          2H5*        C  31  12.072  33.324 -27.233
  328    H4*    C  31           H4*        C  31  12.911  34.922 -25.435
  329    H3*    C  31           H3*        C  31  12.689  31.978 -24.760
  330    H2*    C  31           H2*        C  31  13.824  32.488 -22.716
  331   2HO*    C  31          2HO*        C  31  14.766  34.545 -22.400
  332    H1*    C  31           H1*        C  31  12.415  34.898 -22.357
  333   1H4     C  31          1H4         C  31   9.698  30.434 -18.640
  334   2H4     C  31          2H4         C  31   8.503  30.169 -19.889
  335    H5     C  31           H5         C  31   8.636  31.206 -22.110
  336    H6     C  31           H6         C  31   9.940  32.680 -23.520
  337   1H5*    U  32          1H5*        U  32  16.667  32.731 -23.787
  338   2H5*    U  32          2H5*        U  32  17.673  31.533 -24.646
  339    H4*    U  32           H4*        U  32  18.280  31.548 -22.303
  340    H3*    U  32           H3*        U  32  16.596  29.124 -22.981
  341    H2*    U  32           H2*        U  32  17.087  28.323 -20.781
  342   2HO*    U  32          2HO*        U  32  18.649  29.339 -19.497
  343    H1*    U  32           H1*        U  32  16.757  30.841 -19.618
  344    H3     U  32           H3         U  32  13.368  28.152 -18.127
  345    H5     U  32           H5         U  32  12.120  29.476 -21.926
  346    H6     U  32           H6         U  32  14.317  30.432 -22.240
  347   1H5*    C  33          1H5*        C  33  20.534  27.848 -21.414
  348   2H5*    C  33          2H5*        C  33  20.915  26.213 -22.022
  349    H4*    C  33           H4*        C  33  20.869  26.609 -19.458
  350    H3*    C  33           H3*        C  33  19.239  24.378 -20.695
  351    H2*    C  33           H2*        C  33  18.759  23.670 -18.474
  352   2HO*    C  33          2HO*        C  33  19.921  24.599 -16.697
  353    H1*    C  33           H1*        C  33  18.602  26.304 -17.481
  354   1H4     C  33          1H4         C  33  12.735  23.795 -17.973
  355   2H4     C  33          2H4         C  33  12.544  24.637 -19.489
  356    H5     C  33           H5         C  33  14.331  25.832 -20.567
  357    H6     C  33           H6         C  33  16.691  26.461 -20.424
  358   1H5*    C  34          1H5*        C  34  21.630  22.613 -17.649
  359   2H5*    C  34          2H5*        C  34  21.941  20.899 -18.027
  360    H4*    C  34           H4*        C  34  20.577  21.572 -15.881
  361    H3*    C  34           H3*        C  34  19.806  19.356 -17.791
  362    H2*    C  34           H2*        C  34  17.877  18.887 -16.489
  363   2HO*    C  34          2HO*        C  34  17.693  19.713 -14.346
  364    H1*    C  34           H1*        C  34  17.420  21.565 -15.711
  365   1H4     C  34          1H4         C  34  13.040  20.007 -20.118
  366   2H4     C  34          2H4         C  34  14.088  20.658 -21.360
  367    H5     C  34           H5         C  34  16.397  21.411 -20.899
  368    H6     C  34           H6         C  34  18.051  21.688 -19.183
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1   5.382  16.781 -17.842
    2   2H5*    G   1          2H5*        G   1   6.341  17.515 -19.127
    3    H4*    G   1           H4*        G   1   7.298  15.329 -17.268
    4    H3*    G   1           H3*        G   1   7.861  18.304 -17.282
    5    H2*    G   1           H2*        G   1  10.030  17.818 -16.404
    6   2HO*    G   1          2HO*        G   1  10.549  15.774 -15.633
    7    H1*    G   1           H1*        G   1  10.441  15.655 -18.088
    8    H8     G   1           H8         G   1   8.897  17.955 -20.489
    9    H1     G   1           H1         G   1  14.628  20.127 -18.667
   10   1H2     G   1          1H2         G   1  15.335  19.039 -16.883
   11   2H2     G   1          2H2         G   1  14.390  17.778 -16.120
   12   1H5*    G   2          1H5*        G   2   8.820  17.137 -13.091
   13   2H5*    G   2          2H5*        G   2   8.278  18.499 -12.073
   14    H4*    G   2           H4*        G   2  10.702  17.861 -11.798
   15    H3*    G   2           H3*        G   2  10.063  20.654 -12.780
   16    H2*    G   2           H2*        G   2  12.400  21.159 -12.618
   17   2HO*    G   2          2HO*        G   2  13.836  19.554 -11.751
   18    H1*    G   2           H1*        G   2  13.183  18.818 -13.818
   19    H8     G   2           H8         G   2  10.063  19.693 -15.667
   20    H1     G   2           H1         G   2  14.922  23.534 -17.242
   21   1H2     G   2          1H2         G   2  16.598  23.287 -15.818
   22   2H2     G   2          2H2         G   2  16.514  22.177 -14.469
   23   1H5*    A   3          1H5*        A   3  12.741  21.413  -9.797
   24   2H5*    A   3          2H5*        A   3  12.223  22.809  -8.817
   25    H4*    A   3           H4*        A   3  14.499  22.983  -9.985
   26    H3*    A   3           H3*        A   3  12.385  25.075 -10.544
   27    H2*    A   3           H2*        A   3  14.043  26.290 -11.733
   28   2HO*    A   3          2HO*        A   3  16.247  25.713 -11.603
   29    H1*    A   3           H1*        A   3  15.153  23.946 -12.880
   30    H8     A   3           H8         A   3  11.527  23.471 -13.343
   31   1H6     A   3          1H6         A   3  11.785  27.589 -17.969
   32   2H6     A   3          2H6         A   3  10.806  26.365 -17.190
   33    H2     A   3           H2         A   3  15.624  27.815 -15.660
   34   1H5*    G   4          1H5*        G   4  15.460  27.849  -8.796
   35   2H5*    G   4          2H5*        G   4  14.405  28.998  -7.929
   36    H4*    G   4           H4*        G   4  15.929  29.993  -9.704
   37    H3*    G   4           H3*        G   4  12.943  30.360 -10.066
   38    H2*    G   4           H2*        G   4  13.503  31.895 -11.821
   39   2HO*    G   4          2HO*        G   4  15.675  32.548 -12.123
   40    H1*    G   4           H1*        G   4  15.603  30.269 -12.752
   41    H8     G   4           H8         G   4  12.664  28.016 -12.118
   42    H1     G   4           H1         G   4  12.013  31.540 -17.426
   43   1H2     G   4          1H2         G   4  13.564  33.121 -17.474
   44   2H2     G   4          2H2         G   4  14.747  33.302 -16.204
   45   1H5*    G   5          1H5*        G   5  14.712  34.583  -9.711
   46   2H5*    G   5          2H5*        G   5  13.317  35.562  -9.182
   47    H4*    G   5           H4*        G   5  14.550  36.134 -11.429
   48    H3*    G   5           H3*        G   5  11.533  35.894 -11.299
   49    H2*    G   5           H2*        G   5  11.521  36.755 -13.535
   50   2HO*    G   5          2HO*        G   5  13.414  37.617 -14.454
   51    H1*    G   5           H1*        G   5  13.785  35.257 -14.272
   52    H8     G   5           H8         G   5  11.537  32.904 -12.408
   53    H1     G   5           H1         G   5   9.348  34.190 -18.283
   54   1H2     G   5          1H2         G   5  10.437  35.903 -19.158
   55   2H2     G   5          2H2         G   5  11.720  36.728 -18.297
   56   1H5*    A   6          1H5*        A   6  12.536  39.826 -13.056
   57   2H5*    A   6          2H5*        A   6  11.423  40.969 -12.261
   58    H4*    A   6           H4*        A   6  11.426  41.224 -14.719
   59    H3*    A   6           H3*        A   6   8.849  40.098 -13.589
   60    H2*    A   6           H2*        A   6   7.917  40.387 -15.785
   61   2HO*    A   6          2HO*        A   6   9.188  41.415 -17.418
   62    H1*    A   6           H1*        A   6  10.152  39.354 -17.037
   63    H8     A   6           H8         A   6   9.635  37.271 -13.936
   64   1H6     A   6          1H6         A   6   5.240  34.222 -17.069
   65   2H6     A   6          2H6         A   6   6.223  34.238 -15.620
   66    H2     A   6           H2         A   6   6.417  37.839 -19.441
   67   1H5*    C   7          1H5*        C   7   8.033  43.659 -15.980
   68   2H5*    C   7          2H5*        C   7   6.700  44.561 -15.217
   69    H4*    C   7           H4*        C   7   6.427  44.030 -17.685
   70    H3*    C   7           H3*        C   7   4.318  43.050 -15.735
   71    H2*    C   7           H2*        C   7   3.048  42.313 -17.610
   72   2HO*    C   7          2HO*        C   7   3.692  42.867 -19.734
   73    H1*    C   7           H1*        C   7   5.227  41.276 -18.958
   74   1H4     C   7          1H4         C   7   2.559  36.440 -15.705
   75   2H4     C   7          2H4         C   7   3.714  36.703 -14.419
   76    H5     C   7           H5         C   7   5.263  38.601 -14.382
   77    H6     C   7           H6         C   7   5.993  40.565 -15.581
   78   1H5*    A   8          1H5*        A   8  -0.208  45.533 -16.756
   79   2H5*    A   8          2H5*        A   8   0.306  44.068 -15.876
   80    H4*    A   8           H4*        A   8  -0.475  44.331 -18.785
   81    H3*    A   8           H3*        A   8  -1.590  42.796 -16.434
   82    H2*    A   8           H2*        A   8  -2.126  40.946 -17.841
   83   2HO*    A   8          2HO*        A   8  -1.747  41.130 -20.128
   84    H1*    A   8           H1*        A   8   0.164  40.857 -19.152
   85    H8     A   8           H8         A   8   1.708  41.934 -16.104
   86   1H6     A   8          1H6         A   8   0.311  36.521 -13.432
   87   2H6     A   8          2H6         A   8   1.281  37.970 -13.304
   88    H2     A   8           H2         A   8  -2.108  36.932 -17.193
   89   1H5*    U   9          1H5*        U   9  -5.750  42.790 -17.373
   90   2H5*    U   9          2H5*        U   9  -6.419  42.840 -15.721
   91    H4*    U   9           H4*        U   9  -5.903  40.678 -15.303
   92    H3*    U   9           H3*        U   9  -3.418  41.384 -16.705
   93    H2*    U   9           H2*        U   9  -3.384  39.749 -18.374
   94   2HO*    U   9          2HO*        U   9  -3.040  38.072 -16.725
   95    H1*    U   9           H1*        U   9  -5.864  38.766 -18.452
   96    H3     U   9           H3         U   9  -6.304  40.832 -22.486
   97    H5     U   9           H5         U   9  -3.672  43.293 -20.296
   98    H6     U   9           H6         U   9  -4.052  41.866 -18.399
   99   1H5*    C  10          1H5*        C  10  -7.647  38.568 -15.139
  100   2H5*    C  10          2H5*        C  10  -6.831  38.083 -13.639
  101    H4*    C  10           H4*        C  10  -7.224  35.965 -14.181
  102    H3*    C  10           H3*        C  10  -4.890  36.340 -15.504
  103    H2*    C  10           H2*        C  10  -5.845  37.173 -17.513
  104   2HO*    C  10          2HO*        C  10  -5.879  34.372 -17.963
  105    H1*    C  10           H1*        C  10  -7.980  35.066 -17.515
  106   1H4     C  10          1H4         C  10 -10.631  39.100 -21.669
  107   2H4     C  10          2H4         C  10 -10.044  40.491 -20.787
  108    H5     C  10           H5         C  10  -8.676  40.305 -18.752
  109    H6     C  10           H6         C  10  -7.641  38.745 -17.227
  110   1H5*    C  11          1H5*        C  11  -6.241  32.681 -12.039
  111   2H5*    C  11          2H5*        C  11  -7.550  33.393 -13.024
  112    H4*    C  11           H4*        C  11  -7.825  33.612 -10.519
  113    H3*    C  11           H3*        C  11  -8.691  35.448 -12.339
  114    H2*    C  11           H2*        C  11  -6.580  36.683 -12.268
  115   2HO*    C  11          2HO*        C  11  -8.142  37.973 -10.281
  116    H1*    C  11           H1*        C  11  -6.850  36.459  -9.257
  117   1H4     C  11          1H4         C  11  -1.191  39.389  -9.186
  118   2H4     C  11          2H4         C  11  -0.631  38.470 -10.563
  119    H5     C  11           H5         C  11  -2.038  36.840 -11.737
  120    H6     C  11           H6         C  11  -4.217  35.808 -11.797
  121   1H5*    C  12          1H5*        C  12 -11.292  36.842 -13.235
  122   2H5*    C  12          2H5*        C  12  -9.949  37.054 -12.088
  123    H4*    C  12           H4*        C  12 -12.249  37.114 -10.510
  124    H3*    C  12           H3*        C  12 -13.371  37.725 -12.887
  125    H2*    C  12           H2*        C  12 -11.816  39.400 -13.519
  126   2HO*    C  12          2HO*        C  12 -13.631  40.953 -11.998
  127    H1*    C  12           H1*        C  12 -11.895  40.603 -10.757
  128   1H4     C  12          1H4         C  12  -6.334  43.203 -12.474
  129   2H4     C  12          2H4         C  12  -6.244  42.192 -13.896
  130    H5     C  12           H5         C  12  -7.927  40.476 -14.418
  131    H6     C  12           H6         C  12  -9.980  39.433 -13.652
  132   1H5*    U  13          1H5*        U  13 -15.079  39.489 -13.687
  133   2H5*    U  13          2H5*        U  13 -15.641  40.311 -12.215
  134    H4*    U  13           H4*        U  13 -17.356  39.464 -14.561
  135    H3*    U  13           H3*        U  13 -15.947  41.712 -14.662
  136    H2*    U  13           H2*        U  13 -16.421  42.280 -12.372
  137   2HO*    U  13          2HO*        U  13 -18.244  43.733 -14.001
  138    H1*    U  13           H1*        U  13 -19.357  41.916 -12.990
  139    H3     U  13           H3         U  13 -20.525  42.889  -8.763
  140    H5     U  13           H5         U  13 -17.133  40.455  -8.281
  141    H6     U  13           H6         U  13 -16.885  40.407 -10.682
  142   1H5*    C  14          1H5*        C  14 -14.867  42.178 -16.064
  143   2H5*    C  14          2H5*        C  14 -14.935  43.296 -17.448
  144    H4*    C  14           H4*        C  14 -13.667  41.925 -18.658
  145    H3*    C  14           H3*        C  14 -15.505  39.648 -17.866
  146    H2*    C  14           H2*        C  14 -13.954  38.262 -19.084
  147   2HO*    C  14          2HO*        C  14 -12.155  39.269 -20.115
  148    H1*    C  14           H1*        C  14 -11.811  39.449 -17.804
  149   1H4     C  14          1H4         C  14 -13.291  34.469 -14.100
  150   2H4     C  14          2H4         C  14 -14.728  35.271 -13.508
  151    H5     C  14           H5         C  14 -15.471  37.464 -14.318
  152    H6     C  14           H6         C  14 -14.982  39.272 -15.854
  153   1H5*    A  15          1H5*        A  15 -14.888  39.083 -22.280
  154   2H5*    A  15          2H5*        A  15 -16.258  38.070 -22.816
  155    H4*    A  15           H4*        A  15 -13.794  37.171 -22.997
  156    H3*    A  15           H3*        A  15 -16.036  35.518 -21.808
  157    H2*    A  15           H2*        A  15 -14.481  33.680 -21.748
  158   2HO*    A  15          2HO*        A  15 -12.410  33.922 -22.727
  159    H1*    A  15           H1*        A  15 -12.399  35.305 -20.823
  160    H8     A  15           H8         A  15 -15.254  36.566 -18.897
  161   1H6     A  15          1H6         A  15 -15.039  31.462 -15.390
  162   2H6     A  15          2H6         A  15 -15.723  33.065 -15.547
  163    H2     A  15           H2         A  15 -12.420  30.838 -18.979
  164   1H5*    C  16          1H5*        C  16 -14.583  33.075 -24.870
  165   2H5*    C  16          2H5*        C  16 -15.931  32.391 -25.820
  166    H4*    C  16           H4*        C  16 -14.378  30.655 -24.970
  167    H3*    C  16           H3*        C  16 -17.153  30.617 -23.756
  168    H2*    C  16           H2*        C  16 -16.550  28.555 -22.696
  169   2HO*    C  16          2HO*        C  16 -14.545  27.553 -23.215
  170    H1*    C  16           H1*        C  16 -14.025  29.476 -21.979
  171   1H4     C  16          1H4         C  16 -17.577  30.632 -16.832
  172   2H4     C  16          2H4         C  16 -18.460  31.897 -17.658
  173    H5     C  16           H5         C  16 -18.096  32.444 -20.020
  174    H6     C  16           H6         C  16 -16.814  31.881 -22.000
  175   1H5*    G  17          1H5*        G  17 -16.889  26.595 -25.830
  176   2H5*    G  17          2H5*        G  17 -18.584  26.140 -26.144
  177    H4*    G  17           H4*        G  17 -17.138  24.607 -24.635
  178    H3*    G  17           H3*        G  17 -19.843  25.617 -23.721
  179    H2*    G  17           H2*        G  17 -19.617  24.180 -21.813
  180   2HO*    G  17          2HO*        G  17 -17.809  22.740 -21.698
  181    H1*    G  17           H1*        G  17 -16.970  24.865 -21.396
  182    H8     G  17           H8         G  17 -18.811  28.011 -22.435
  183    H1     G  17           H1         G  17 -19.860  26.379 -16.353
  184   1H2     G  17          1H2         G  17 -19.108  24.334 -15.954
  185   2H2     G  17          2H2         G  17 -18.329  23.377 -17.193
  186   1H5*    G  18          1H5*        G  18 -19.975  21.363 -23.195
  187   2H5*    G  18          2H5*        G  18 -21.526  20.788 -23.865
  188    H4*    G  18           H4*        G  18 -21.171  19.955 -21.581
  189    H3*    G  18           H3*        G  18 -23.347  22.048 -21.806
  190    H2*    G  18           H2*        G  18 -23.881  21.593 -19.520
  191   2HO*    G  18          2HO*        G  18 -22.865  19.843 -18.432
  192    H1*    G  18           H1*        G  18 -21.226  21.483 -18.729
  193    H8     G  18           H8         G  18 -21.744  24.273 -21.271
  194    H1     G  18           H1         G  18 -23.472  25.894 -15.329
  195   1H2     G  18          1H2         G  18 -23.486  24.119 -14.014
  196   2H2     G  18          2H2         G  18 -23.053  22.526 -14.597
  197   1H5*    G  19          1H5*        G  19 -25.111  19.090 -19.682
  198   2H5*    G  19          2H5*        G  19 -26.731  18.712 -20.323
  199    H4*    G  19           H4*        G  19 -26.749  19.252 -17.894
  200    H3*    G  19           H3*        G  19 -28.134  21.277 -19.676
  201    H2*    G  19           H2*        G  19 -28.906  22.340 -17.684
  202   2HO*    G  19          2HO*        G  19 -28.917  21.302 -15.731
  203    H1*    G  19           H1*        G  19 -26.474  21.899 -16.318
  204    H8     G  19           H8         G  19 -25.795  23.214 -19.820
  205    H1     G  19           H1         G  19 -27.416  27.807 -15.666
  206   1H2     G  19          1H2         G  19 -28.153  26.920 -13.786
  207   2H2     G  19          2H2         G  19 -28.247  25.191 -13.537
  208   1H5*    U  20          1H5*        U  20 -31.147  22.266 -19.340
  209   2H5*    U  20          2H5*        U  20 -31.106  21.533 -17.715
  210    H4*    U  20           H4*        U  20 -33.571  21.967 -19.424
  211    H3*    U  20           H3*        U  20 -32.524  23.417 -16.990
  212    H2*    U  20           H2*        U  20 -34.761  23.732 -16.225
  213   2HO*    U  20          2HO*        U  20 -35.727  24.326 -18.212
  214    H1*    U  20           H1*        U  20 -35.647  21.198 -17.029
  215    H3     U  20           H3         U  20 -35.307  22.158 -12.366
  216    H5     U  20           H5         U  20 -32.225  19.521 -13.503
  217    H6     U  20           H6         U  20 -32.770  19.991 -15.826
  218   1H5*    G  21          1H5*        G  21 -32.951  27.899 -16.466
  219   2H5*    G  21          2H5*        G  21 -31.216  27.574 -16.218
  220    H4*    G  21           H4*        G  21 -33.407  27.345 -14.351
  221    H3*    G  21           H3*        G  21 -30.423  26.928 -14.137
  222    H2*    G  21           H2*        G  21 -30.750  26.006 -11.970
  223   2HO*    G  21          2HO*        G  21 -32.229  26.979 -10.784
  224    H1*    G  21           H1*        G  21 -33.162  24.727 -12.642
  225    H8     G  21           H8         G  21 -30.581  24.064 -15.311
  226    H1     G  21           H1         G  21 -29.925  20.306 -10.181
  227   1H2     G  21          1H2         G  21 -31.213  21.025  -8.532
  228   2H2     G  21          2H2         G  21 -32.236  22.432  -8.696
  229   1H5*    A  22          1H5*        A  22 -31.617  29.383 -10.771
  230   2H5*    A  22          2H5*        A  22 -30.329  30.481 -10.200
  231    H4*    A  22           H4*        A  22 -31.114  28.924  -8.430
  232    H3*    A  22           H3*        A  22 -28.283  28.533  -9.418
  233    H2*    A  22           H2*        A  22 -27.981  26.860  -7.715
  234   2HO*    A  22          2HO*        A  22 -29.107  27.902  -6.004
  235    H1*    A  22           H1*        A  22 -30.459  25.712  -8.145
  236    H8     A  22           H8         A  22 -28.596  26.855 -11.325
  237   1H6     A  22          1H6         A  22 -26.217  21.157 -11.452
  238   2H6     A  22          2H6         A  22 -26.347  22.678 -12.305
  239    H2     A  22           H2         A  22 -28.563  21.624  -7.667
  240   1H5*    C  23          1H5*        C  23 -24.595  29.696  -7.168
  241   2H5*    C  23          2H5*        C  23 -24.303  29.844  -8.922
  242    H4*    C  23           H4*        C  23 -25.115  27.432  -7.319
  243    H3*    C  23           H3*        C  23 -22.965  28.043  -9.342
  244    H2*    C  23           H2*        C  23 -23.004  25.797 -10.139
  245   2HO*    C  23          2HO*        C  23 -24.230  24.205  -9.068
  246    H1*    C  23           H1*        C  23 -25.683  25.593 -10.296
  247   1H4     C  23          1H4         C  23 -23.814  28.147 -15.853
  248   2H4     C  23          2H4         C  23 -24.171  29.738 -15.226
  249    H5     C  23           H5         C  23 -24.804  30.137 -12.897
  250    H6     C  23           H6         C  23 -25.225  29.085 -10.763
  251   1H5*    C  24          1H5*        C  24 -21.750  24.444  -7.829
  252   2H5*    C  24          2H5*        C  24 -20.016  24.443  -7.412
  253    H4*    C  24           H4*        C  24 -20.614  22.632  -8.996
  254    H3*    C  24           H3*        C  24 -18.830  24.815 -10.101
  255    H2*    C  24           H2*        C  24 -18.607  23.511 -12.101
  256   2HO*    C  24          2HO*        C  24 -19.559  21.407 -12.187
  257    H1*    C  24           H1*        C  24 -21.292  22.932 -12.248
  258   1H4     C  24          1H4         C  24 -20.357  28.278 -15.645
  259   2H4     C  24          2H4         C  24 -20.843  29.217 -14.255
  260    H5     C  24           H5         C  24 -21.277  28.221 -12.054
  261    H6     C  24           H6         C  24 -21.301  26.162 -10.812
  262   1H5*    G  25          1H5*        G  25 -16.640  21.410 -11.174
  263   2H5*    G  25          2H5*        G  25 -14.989  21.615 -10.527
  264    H4*    G  25           H4*        G  25 -14.950  21.041 -12.916
  265    H3*    G  25           H3*        G  25 -14.113  23.888 -12.302
  266    H2*    G  25           H2*        G  25 -13.517  24.120 -14.611
  267   2HO*    G  25          2HO*        G  25 -13.543  22.304 -15.992
  268    H1*    G  25           H1*        G  25 -15.800  22.861 -15.517
  269    H8     G  25           H8         G  25 -16.497  25.045 -12.454
  270    H1     G  25           H1         G  25 -16.510  28.241 -17.996
  271   1H2     G  25          1H2         G  25 -15.761  26.952 -19.625
  272   2H2     G  25          2H2         G  25 -15.274  25.293 -19.352
  273   1H5*    U  26          1H5*        U  26 -11.145  22.422 -14.787
  274   2H5*    U  26          2H5*        U  26  -9.541  22.794 -14.102
  275    H4*    U  26           H4*        U  26  -9.700  23.548 -16.430
  276    H3*    U  26           H3*        U  26  -9.703  25.824 -14.433
  277    H2*    U  26           H2*        U  26  -9.504  27.305 -16.299
  278   2HO*    U  26          2HO*        U  26  -9.179  26.436 -18.414
  279    H1*    U  26           H1*        U  26 -11.355  25.890 -17.832
  280    H3     U  26           H3         U  26 -13.639  29.687 -16.931
  281    H5     U  26           H5         U  26 -13.386  27.769 -13.184
  282    H6     U  26           H6         U  26 -11.970  26.096 -14.206
  283   1H5*    G  27          1H5*        G  27  -6.589  26.407 -17.188
  284   2H5*    G  27          2H5*        G  27  -5.154  27.175 -16.457
  285    H4*    G  27           H4*        G  27  -6.290  28.286 -18.503
  286    H3*    G  27           H3*        G  27  -4.895  29.450 -16.299
  287    H2*    G  27           H2*        G  27  -6.632  30.696 -15.444
  288   2HO*    G  27          2HO*        G  27  -5.525  32.374 -16.455
  289    H1*    G  27           H1*        G  27  -8.151  30.799 -18.048
  290    H8     G  27           H8         G  27  -8.971  28.911 -14.773
  291    H1     G  27           H1         G  27 -12.505  34.141 -15.792
  292   1H2     G  27          1H2         G  27 -11.761  35.227 -17.555
  293   2H2     G  27          2H2         G  27 -10.401  34.662 -18.491
  294   1H5*    G  28          1H5*        G  28  -4.978  31.012 -20.614
  295   2H5*    G  28          2H5*        G  28  -3.894  30.146 -21.736
  296    H4*    G  28           H4*        G  28  -4.191  32.444 -22.473
  297    H3*    G  28           H3*        G  28  -1.453  31.896 -21.298
  298    H2*    G  28           H2*        G  28  -0.812  34.128 -21.905
  299   2HO*    G  28          2HO*        G  28  -2.310  35.452 -23.064
  300    H1*    G  28           H1*        G  28  -3.064  35.269 -20.883
  301    H8     G  28           H8         G  28  -2.629  32.503 -18.457
  302    H1     G  28           H1         G  28   1.948  36.932 -17.791
  303   1H2     G  28          1H2         G  28   1.948  38.312 -19.524
  304   2H2     G  28          2H2         G  28   0.821  38.136 -20.850
  305   1H5*    U  29          1H5*        U  29  -0.568  33.810 -24.970
  306   2H5*    U  29          2H5*        U  29   0.634  32.816 -25.838
  307    H4*    U  29           H4*        U  29   1.319  35.189 -25.664
  308    H3*    U  29           H3*        U  29   3.002  33.249 -24.058
  309    H2*    U  29           H2*        U  29   4.488  35.078 -23.621
  310   2HO*    U  29          2HO*        U  29   4.151  37.097 -24.641
  311    H1*    U  29           H1*        U  29   2.442  36.825 -23.044
  312    H3     U  29           H3         U  29   4.824  35.435 -19.276
  313    H5     U  29           H5         U  29   1.463  32.911 -19.624
  314    H6     U  29           H6         U  29   1.073  33.846 -21.812
  315   1H5*    C  30          1H5*        C  30   5.635  35.554 -26.575
  316   2H5*    C  30          2H5*        C  30   6.973  34.519 -27.142
  317    H4*    C  30           H4*        C  30   7.658  36.658 -25.971
  318    H3*    C  30           H3*        C  30   8.545  34.027 -24.758
  319    H2*    C  30           H2*        C  30   9.909  35.317 -23.259
  320   2HO*    C  30          2HO*        C  30  10.078  37.587 -23.537
  321    H1*    C  30           H1*        C  30   7.899  37.159 -22.761
  322   1H4     C  30          1H4         C  30   7.568  32.644 -18.209
  323   2H4     C  30          2H4         C  30   6.260  31.897 -19.098
  324    H5     C  30           H5         C  30   5.576  32.638 -21.337
  325    H6     C  30           H6         C  30   6.033  34.209 -23.103
  326   1H5*    C  31          1H5*        C  31  11.979  36.286 -25.186
  327   2H5*    C  31          2H5*        C  31  13.322  35.315 -25.845
  328    H4*    C  31           H4*        C  31  13.912  36.489 -23.735
  329    H3*    C  31           H3*        C  31  13.805  33.466 -23.561
  330    H2*    C  31           H2*        C  31  14.747  33.677 -21.367
  331   2HO*    C  31          2HO*        C  31  15.423  35.733 -20.609
  332    H1*    C  31           H1*        C  31  13.072  35.766 -20.671
  333   1H4     C  31          1H4         C  31  10.353  30.344 -18.627
  334   2H4     C  31          2H4         C  31   9.308  30.381 -20.029
  335    H5     C  31           H5         C  31   9.578  31.995 -21.857
  336    H6     C  31           H6         C  31  10.910  33.853 -22.662
  337   1H5*    U  32          1H5*        U  32  17.988  34.387 -22.489
  338   2H5*    U  32          2H5*        U  32  18.983  33.046 -23.120
  339    H4*    U  32           H4*        U  32  19.179  33.481 -20.631
  340    H3*    U  32           H3*        U  32  18.176  30.763 -21.516
  341    H2*    U  32           H2*        U  32  18.335  30.089 -19.227
  342   2HO*    U  32          2HO*        U  32  19.310  31.501 -17.687
  343    H1*    U  32           H1*        U  32  17.305  32.500 -18.269
  344    H3     U  32           H3         U  32  14.356  29.059 -17.425
  345    H5     U  32           H5         U  32  13.450  30.410 -21.308
  346    H6     U  32           H6         U  32  15.463  31.761 -21.237
  347   1H5*    C  33          1H5*        C  33  21.405  29.989 -18.815
  348   2H5*    C  33          2H5*        C  33  22.420  28.723 -19.555
  349    H4*    C  33           H4*        C  33  21.700  28.244 -17.190
  350    H3*    C  33           H3*        C  33  20.698  26.344 -19.320
  351    H2*    C  33           H2*        C  33  19.879  24.976 -17.550
  352   2HO*    C  33          2HO*        C  33  21.482  26.646 -15.861
  353    H1*    C  33           H1*        C  33  19.097  27.203 -15.980
  354   1H4     C  33          1H4         C  33  13.976  24.495 -18.814
  355   2H4     C  33          2H4         C  33  13.843  25.972 -19.736
  356    H5     C  33           H5         C  33  15.528  27.713 -19.697
  357    H6     C  33           H6         C  33  17.680  28.376 -18.779
  358   1H5*    C  34          1H5*        C  34  22.367  23.457 -16.761
  359   2H5*    C  34          2H5*        C  34  23.559  22.604 -17.779
  360    H4*    C  34           H4*        C  34  22.202  20.911 -16.791
  361    H3*    C  34           H3*        C  34  21.007  21.441 -19.530
  362    H2*    C  34           H2*        C  34  19.810  19.387 -19.143
  363   2HO*    C  34          2HO*        C  34  21.569  18.342 -17.922
  364    H1*    C  34           H1*        C  34  19.067  20.271 -16.632
  365   1H4     C  34          1H4         C  34  14.522  22.435 -20.580
  366   2H4     C  34          2H4         C  34  15.527  23.795 -21.031
  367    H5     C  34           H5         C  34  17.864  24.055 -20.232
  368    H6     C  34           H6         C  34  19.580  23.063 -18.892