*HEADER    RNA                                     11-AUG-02   1MFJ              
*TITLE     3' STEM-LOOP FROM HUMAN U4 SNRNA                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-                                                        
*COMPND   3 R(*GP*AP*CP*AP*GP*UP*CP*UP*CP*UP*AP*CP*GP*GP*AP*GP*AP*CP*UP          
*COMPND   4 *G)-3';                                                              
*COMPND   5 CHAIN: A;                                                            
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: 3'STEM-LOOP OF HUMAN U4 SNRNA                         
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS PART OF HUMAN U4 SNRNA.              
*KEYWDS    RIBONUCLEIC ACID, RNA OLIGONUCLEOTIDE, STEM-AND-LOOP, U4              
*KEYWDS   2 SMALL NUCLEAR RNA, UACG TETRALOOP                                    
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    L.R.COMOLLI, N.B.ULYANOV, T.L.JAMES, W.H.GMEINER                      
*REVDAT   1   06-NOV-02 1MFJ    0                                                
# August 10, 2002
#
# L.R. Comolli, N.B. Ulyanov, T.L. James, W.H. Gmeiner
#
# Experimental NMR data for the RNA 20mer r(GACAGUCUCUACGGAGACUG)
#
# Content of this file:
#
#       (1)  Distance restraints for nonexchangeable protons
# (2)  Distance restraints for exchangeable protons
# (3)  Integrated intensities of cross-peaks in the 80-ms
#  600 MHz D2O NOESY acquired at 30 oC
# (4)  Integrated intensities of cross-peaks in the 400-ms
#  600 MHz D2O NOESY acquired at 30 oC
# (5)  Table of proton 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) restraints involving nonexchangeable protons
#
# Distance restraints involving nonexchangeable protons were calculated with the
# MARDIGRAS program using integrated intensities in two D2O NOESY datasets. The
# RANDMARDI procedure was run 50 times assuming isotropic effective correlation
# times of 2 ns for each of the three data sets. 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.
#
#Restraints obtained from mardigras inp= 2.mardi * filter= filter *** Tue Mar 26 16:53:24 2002
ATOM- i ATOM- j   r_low   r_up     k_low     k_up
H8    1 H1'   1   3.760   4.650    10.00    10.00
H8    2 H1'   2   3.520   3.890    10.00    10.00
H1'   3 H2    2   3.540   4.000    10.00    10.00
H6    3 1H2'  2   2.790   2.960    10.00    10.00
H8    4 1H2'  3   2.470   2.630    10.00    10.00
H8    4 H1'   3   3.560   4.010    10.00    10.00
H8    4 H1'   4   3.560   3.890    10.00    10.00
H1'   5 1H2'  4   3.500   4.560    10.00    10.00
H8    5 1H2'  4   2.440   2.530    10.00    10.00
H8    5 H1'   4   3.870   4.910    10.00    10.00
H8    5 1H2'  5   3.560   4.040    10.00    10.00
H8    5 H3'   5   2.940   3.720    10.00    10.00
H8    5 H4'   5   4.020   5.390    10.00    10.00
H5    6 1H2'  5   3.400   5.190    10.00    10.00
H5    6 H8    5   3.860   4.670    10.00    10.00
H5    7 1H2'  6   3.030   4.140    10.00    10.00
H5    7 H5    6   3.610   4.180    10.00    10.00
H6    7 1H2'  6   2.230   2.390    10.00    10.00
H6    7 1H2'  7   3.640   4.440    10.00    10.00
H6    7 H1'   7   3.520   3.940    10.00    10.00
H6    7 H3'   7   2.400   2.570    10.00    10.00
H1'   8 1H2'  7   3.790   4.550    10.00    10.00
H5    8 1H2'  7   3.170   3.660    10.00    10.00
H6    8 1H2'  7   2.250   2.520    10.00    10.00
H6    8 H3'   7   2.650   3.090    10.00    10.00
H6    8 H1'   8   3.330   3.570    10.00    10.00
H5   10 1H2'  9   3.380   3.620    10.00    10.00
H5   10 H3'   9   3.270   3.640    10.00    10.00
H5   10 H3'  10   3.800   5.600    10.00    10.00
H6   10 1H2' 10   3.540   3.910    10.00    10.00
1H2' 11 1H2' 10   3.230   3.430    10.00    10.00
1H2' 11 1H5' 11   3.530   4.460    10.00    10.00
1H2' 11 2H5' 11   3.410   4.450    10.00    10.00
H4'  11 H1'  11   3.130   3.310    10.00    10.00
H8   11 1H2' 10   3.790   4.480    10.00    10.00
2H5' 12 1H5' 12   1.780   2.190    10.00    10.00
1H2' 12 2H5' 12   3.120   3.320    10.00    10.00
H3'  12 1H5' 12   2.930   3.670    10.00    10.00
H3'  12 2H5' 12   2.540   2.770    10.00    10.00
H4'  12 1H5' 12   2.320   2.400    10.00    10.00
H4'  12 2H5' 12   2.270   2.580    10.00    10.00
H5   12 1H2' 10   2.580   2.700    10.00    10.00
H5   12 1H5' 11   3.050   3.950    10.00    10.00
H5   12 2H5' 11   2.490   2.690    10.00    10.00
H5   12 1H2' 11   3.420   3.710    10.00    10.00
H6   12 1H2' 11   4.160   4.920    10.00    10.00
H6   12 H4'  11   3.300   5.730    10.00    10.00
H6   12 1H5' 12   3.390   3.910    10.00    10.00
H6   12 2H5' 12   3.380   4.170    10.00    10.00
H6   12 H1'  12   3.200   3.780    10.00    10.00
H6   12 H3'  12   2.960   5.560    10.00    10.00
1H5' 13 H4'  12   2.770   2.880    10.00    10.00
H3'  13 H4'  12   3.350   3.990    10.00    10.00
H8   13 H1'  13   2.510   2.810    10.00    10.00
H8   14 1H2' 13   3.700   4.420    10.00    10.00
H8   14 H3'  13   3.170   3.490    10.00    10.00
H8   14 H1'  14   3.280   3.490    10.00    10.00
H2   15 1H2'  8   3.600   4.520    10.00    10.00
H2   15 1H2' 15   3.800   4.900    10.00    10.00
H2   15 H1'  15   3.880   5.030    10.00    10.00
H8   15 1H2' 14   2.120   2.180    10.00    10.00
H8   15 H3'  14   2.790   2.900    10.00    10.00
H8   15 H1'  15   3.540   4.020    10.00    10.00
H1'  16 1H2' 15   3.360   3.610    10.00    10.00
H1'  16 H2   15   3.170   3.390    10.00    10.00
H8   16 H1'  15   3.950   5.090    10.00    10.00
H8   16 1H2' 16   3.340   3.710    10.00    10.00
H8   16 H1'  16   3.470   3.880    10.00    10.00
H2   17 H1'   7   3.230   3.430    10.00    10.00
H8   17 H1'  17   3.500   3.880    10.00    10.00
H1'  18 1H2' 17   3.340   3.720    10.00    10.00
H1'  18 H2   17   3.180   3.390    10.00    10.00
H4'  18 H1'  18   3.000   3.630    10.00    10.00
H5   18 1H2' 17   3.040   3.520    10.00    10.00
H5   18 H8   17   3.560   4.420    10.00    10.00
H5   18 H3'  18   3.780   5.010    10.00    10.00
H6   18 1H2' 17   2.350   2.470    10.00    10.00
H6   18 1H2' 18   3.540   4.680    10.00    10.00
H6   18 H3'  18   2.640   2.820    10.00    10.00
H6   18 H4'  18   3.500   4.140    10.00    10.00
H1'  19 1H2' 18   3.660   4.640    10.00    10.00
H6   19 1H2' 18   2.310   2.500    10.00    10.00
H1'  20 H2    4   3.770   4.350    10.00    10.00
H4'  20 H1'  20   3.140   3.330    10.00    10.00
H8   20 1H2' 20   2.740   3.060    10.00    10.00
H8   20 H1'  20   3.520   3.930    10.00    10.00
H8    1 1H2'  1   3.220   3.400    10.00    10.00
H2    2 H1'   2   4.700   5.440    10.00    10.00
H8    2 H1'   1   4.140   5.070    10.00    10.00
H1'   3 1H2'  2   3.400   3.550    10.00    10.00
H6    3 H1'   2   4.090   4.440    10.00    10.00
H6    3 H8    2   4.180   4.610    10.00    10.00
H2    4 H1'   4   4.320   4.750    10.00    10.00
H8    4 H5    3   4.800   6.390    10.00    10.00
H1'   5 H2    4   3.370   3.470    10.00    10.00
H8    5 H8    4   4.170   4.580    10.00    10.00
H8    5 H1'   5   3.860   4.130    10.00    10.00
H1'   6 1H2'  5   3.240   3.360    10.00    10.00
H5    6 H1'   5   4.570   5.320    10.00    10.00
H5    6 H1'   6   4.620   5.560    10.00    10.00
H6    7 H1'   6   4.060   5.180    10.00    10.00
H6    7 H5    6   4.350   5.360    10.00    10.00
H5    8 H5    7   3.560   3.710    10.00    10.00
H5    8 H6    7   3.960   4.260    10.00    10.00
H5    8 H1'   8   4.740   6.200    10.00    10.00
H5   10 1H2' 10   4.270   5.030    10.00    10.00
2H5' 11 1H2' 10   3.620   4.410    10.00    10.00
H1'  11 1H5' 11   4.020   5.010    10.00    10.00
H1'  11 2H5' 11   3.920   4.920    10.00    10.00
H2   11 H1'  11   4.660   5.470    10.00    10.00
H8   11 H1'  10   4.540   5.350    10.00    10.00
H8   11 H6   10   4.530   6.070    10.00    10.00
H8   11 1H5' 11   3.840   4.480    10.00    10.00
H8   11 2H5' 11   4.050   5.420    10.00    10.00
H8   11 1H2' 11   2.420   2.510    10.00    10.00
H8   11 H1'  11   3.570   3.880    10.00    10.00
1H5' 12 1H2' 11   4.230   5.410    10.00    10.00
1H5' 12 H1'  11   4.410   5.470    10.00    10.00
2H5' 12 1H2' 11   4.190   4.990    10.00    10.00
H5   12 H1'  10   4.040   4.440    10.00    10.00
H5   12 H8   11   4.310   5.080    10.00    10.00
H5   12 1H5' 12   4.230   5.430    10.00    10.00
H6   12 H1'  10   4.230   5.430    10.00    10.00
H6   12 1H5' 11   3.380   4.370    10.00    10.00
H6   12 2H5' 11   3.510   4.830    10.00    10.00
H6   12 H8   11   4.500   6.090    10.00    10.00
1H5' 13 1H5' 12   3.400   3.620    10.00    10.00
1H5' 13 2H5' 12   3.730   4.220    10.00    10.00
1H2' 13 H4'  12   4.200   5.000    10.00    10.00
H3'  13 1H5' 12   4.410   5.700    10.00    10.00
H8   13 1H5' 12   4.220   4.720    10.00    10.00
H8   13 2H5' 12   4.930   6.050    10.00    10.00
H8   13 1H2' 13   4.020   4.340    10.00    10.00
H8   14 H1'  13   4.770   6.320    10.00    10.00
H8   15 H8   14   4.070   4.560    10.00    10.00
H5   18 H1'  17   5.970   6.620    10.00    10.00
H5   18 1H2' 18   4.370   5.290    10.00    10.00
H5   18 H4'  18   4.600   6.140    10.00    10.00
H6   18 H1'  17   4.710   6.440    10.00    10.00
H1'  19 H2    4   4.590   5.480    10.00    10.00
#
# (2) restraints involving exchangeable protons
#
# For these distances, only upper bounds (6 A) were used for the peaks
# observed in the water NOESY data set at 20 oC.
#
H2   15 H3    8   1.800   6.000    10.00    10.00
H41   9 H1   14   1.800   6.000    10.00    10.00
H41   7 H1   16   1.800   6.000    10.00    10.00
H42   7 H1   16   1.800   6.000    10.00    10.00
H42   9 H1   14   1.800   6.000    10.00    10.00
H41  18 H1    5   1.800   6.000    10.00    10.00
H2'  10 2HO' 10   1.800   6.000    10.00    10.00
H1'  10 2HO' 10   1.800   6.000    10.00    10.00
H42  18 H1    5   1.800   6.000    10.00    10.00
H2   17 H3    6   1.800   6.000    10.00    10.00
2HO' 10 H8   11   1.800   6.000    10.00    10.00
H3'  10 H42  12   1.800   6.000    10.00    10.00
H1'  17 H1   16   1.800   6.000    10.00    10.00
2HO' 10 H1'  10   1.800   6.000    10.00    10.00
H2   17 H1   16   1.800   6.000    10.00    10.00
H2'  11 2HO' 10   1.800   6.000    10.00    10.00
H2    4 H3   19   1.800   6.000    10.00    10.00
H3    8 H1   16   1.800   6.000    10.00    10.00
H1'  15 H1   14   1.800   6.000    10.00    10.00
H1'  12 H1   13   1.800   6.000    10.00    10.00
H1'   6 H1    5   1.800   6.000    10.00    10.00
H8   11 2HO' 10   1.800   6.000    10.00    10.00
H1'  10 H1   13   1.800   6.000    10.00    10.00
H2'  10 H42  12   1.800   6.000    10.00    10.00
H42   9 H3    8   1.800   6.000    10.00    10.00
H1'  16 H3    8   1.800   6.000    10.00    10.00
H1'   8 H1   16   1.800   6.000    10.00    10.00
H41   9 H3    8   1.800   6.000    10.00    10.00
H5    7 H1   16   1.800   6.000    10.00    10.00
H41  12 H6   10   1.800   6.000    10.00    10.00
H42  12 H6   10   1.800   6.000    10.00    10.00
H3'  11 2HO' 10   1.800   6.000    10.00    10.00
H3'  11 H42  12   1.800   6.000    10.00    10.00
H42   7 H3    6   1.800   6.000    10.00    10.00
H1'  14 H1   13   1.800   6.000    10.00    10.00
H5   12 2HO' 10   1.800   6.000    10.00    10.00
2HO' 10 H1   13   1.800   6.000    10.00    10.00
H3'  10 H41  12   1.800   6.000    10.00    10.00
H1'  12 2HO' 10   1.800   6.000    10.00    10.00
H2   17 H1    5   1.800   6.000    10.00    10.00
H2   15 H1   16   1.800   6.000    10.00    10.00
H5   18 H1    5   1.800   6.000    10.00    10.00
H5    8 H42   7   1.800   6.000    10.00    10.00
H3    8 H1   14   1.800   6.000    10.00    10.00
H2   15 H1   14   1.800   6.000    10.00    10.00
H5    9 H1   14   1.800   6.000    10.00    10.00
H5    6 H41   7   1.800   6.000    10.00    10.00
H2'   8 H3    8   1.800   6.000    10.00    10.00
H2'   9 H1   14   1.800   6.000    10.00    10.00
H5    6 H42   7   1.800   6.000    10.00    10.00
H42   7 H3    8   1.800   6.000    10.00    10.00
H8   14 H1   13   1.800   6.000    10.00    10.00
H3    6 H1    5   1.800   6.000    10.00    10.00
H5    8 H1   16   1.800   6.000    10.00    10.00
H5   10 H42  12   1.800   6.000    10.00    10.00
H2'  10 H41  12   1.800   6.000    10.00    10.00
#
# (2a) Hydrogen bond restraints used in the refinement
#
H1   13 O2   10   1.800   2.200    10.00    10.00
N1   13 O2   10   2.750   3.100    10.00    10.00
2HO' 10 O6   13   1.750   2.200    10.00    10.00
O2'  10 O6   13   2.600   3.100    10.00    10.00
#
# (3)  Integrated intensities of cross-peaks in the 80-ms
# D2O NOESY dataset.
#
# NOE cross-peaks were integrated with SPARKY. Relative integration
# error was determined by comparing the below- and above-the-diagonal
# intensities, but in no case it was set below 10%. The intensities
# are not normalized.
#
HEADER prepared from tnn_80ms_mar26_02.mardilist by mardi.in   Tue Mar 26 15:36:35 2002
MIXING TIME: 0.08
ATOM1   ATOM2   INTENSITY   ERROR    Note    
H1'   1 H8    1   2.013e+06   10.0
H1'   2 1H2'  2   1.731e+07   13.4
H1'   2 H8    2   3.629e+06   10.0
1H2'  2 H6    3   1.652e+07   10.0
H1'   3 H2    2   3.420e+06   10.0
1H2'  3 H1'   3   2.298e+07   10.0
1H2'  3 H8    4   3.477e+07   10.0
H1'   3 H8    4   3.559e+06   10.0
H1'   4 1H2'  4   2.477e+07   10.0
H1'   4 H8    4   3.471e+06   20.7
1H2'  4 H1'   5   2.162e+06   10.0
1H2'  4 H8    5   3.539e+07   10.0
H1'   4 H8    5   2.030e+06   10.0
H8    5 1H2'  5   2.822e+06   10.0
H8    5 H3'   5   4.416e+06   10.0
H8    5 H4'   5   1.228e+06   10.0
H8    5 H5    6   1.794e+06   10.0
H5    6 1H2'  5   2.652e+06   10.0
1H2'  6 H1'   6   2.977e+07   10.0
H5    6 H6    6   3.124e+07   10.4
1H2'  6 H6    7   6.020e+07   10.0
H5    6 H5    7   3.078e+06   10.0
H5    7 1H2'  6   3.769e+06   10.0
1H2'  7 H6    7   3.201e+06   10.0
H1'   7 1H2'  7   2.391e+07   27.3
H3'   7 H6    7   3.108e+07   10.0
H5    7 H6    7   3.481e+07   11.6
H6    7 H1'   7   3.291e+06   10.0
1H2'  7 H1'   8   2.154e+06   10.0
1H2'  7 H5    8   5.900e+06   18.2
1H2'  7 H6    8   5.666e+07   10.0
H3'   7 H6    8   1.168e+07   10.0
H1'   7 H2   17   6.852e+06   10.0
H1'   8 H6    8   5.265e+06   10.0
1H2'  8 H2   15   1.830e+06   10.0
H3'   9 H1'   9   6.708e+06   10.0
H5    9 H6    9   3.712e+07   12.5
1H2'  9 H5   10   5.389e+06   10.0
H3'   9 H5   10   5.825e+06   21.6
1H2' 10 H1'  10   2.554e+07   10.0
1H2' 10 H3'  10   3.839e+07   10.1
1H2' 10 H4'  10   3.344e+06   10.0
1H2' 10 H6   10   4.241e+06   15.8
H3'  10 H5   10   2.800e+06   10.0
1H2' 10 1H2' 11   6.618e+06   10.0
1H2' 10 H8   11   2.134e+06   10.0
1H2' 10 H5   12   2.610e+07   10.0
1H2' 11 H1'  11   1.522e+07   10.0
1H2' 11 H3'  11   4.412e+07   10.0
1H5' 11 1H2' 11   3.508e+06   10.0
2H5' 11 1H2' 11   2.931e+06   10.0
H1'  11 H4'  11   7.894e+06   15.3
H3'  11 H1'  11   2.580e+06   10.0
1H2' 11 H5   12   4.879e+06   10.0
1H2' 11 H6   12   3.842e+06   10.0
1H5' 11 H5   12   7.054e+06   23.1
2H5' 11 H5   12   2.362e+07   20.1
H4'  11 H6   12   1.564e+06   10.0
1H2' 12 2H5' 12   7.560e+06   10.0
1H5' 12 H6   12   4.584e+06   12.9
2H5' 12 1H5' 12   1.896e+08   10.0
2H5' 12 H6   12   3.116e+06   10.0
H1'  12 H6   12   4.151e+06   10.0
H3'  12 1H5' 12   8.702e+06   26.9
H3'  12 2H5' 12   2.682e+07   11.7
H3'  12 H4'  12   2.106e+07   10.0
H3'  12 H6   12   1.956e+06   10.0
H4'  12 1H5' 12   4.780e+07   10.0
H4'  12 2H5' 12   5.294e+07   10.0
H4'  12 1H5' 13   1.438e+07   10.0
H4'  12 H3'  13   3.148e+06   10.0
1H2' 13 H3'  13   4.646e+07   10.0
H1'  13 1H2' 13   2.660e+07   10.0
H1'  13 H8   13   3.374e+07   10.0
1H2' 13 H8   14   2.295e+06   10.0
H3'  13 H8   14   7.919e+06   10.0
H8   14 H1'  14   6.273e+06   10.0
1H2' 14 H8   15   8.156e+07   10.0
H3'  14 H8   15   1.701e+07   10.0
1H2' 15 H2   15   1.857e+06   10.0
H1'  15 H2   15   1.778e+06   10.0
H1'  15 H8   15   3.007e+06   10.0
1H2' 15 H1'  16   5.012e+06   10.0
H1'  15 H8   16   2.327e+06   10.0
H2   15 H1'  16   7.279e+06   18.4
1H2' 16 H1'  16   2.978e+07   10.0
1H2' 16 H8   16   4.610e+06   13.4
H1'  16 H8   16   3.971e+06   10.0
H1'  17 1H2' 17   3.151e+07   23.9
H1'  17 H8   17   3.442e+06   10.0
1H2' 17 H1'  18   4.714e+06   31.0
1H2' 17 H5   18   6.238e+06   10.0
1H2' 17 H6   18   4.538e+07   10.0
H8   17 H5   18   2.638e+06   51.1
H1'  18 H2   17   7.713e+06   10.0
H1'  18 H4'  18   6.435e+06   46.5
H3'  18 H5   18   2.015e+06   10.0
H3'  18 H6   18   2.318e+07   10.0
H4'  18 H6   18   2.876e+06   10.0
H5   18 H6   18   3.195e+07   11.0
H6   18 1H2' 18   2.324e+06   10.0
1H2' 18 H1'  19   1.841e+06   10.0
1H2' 18 H6   19   4.914e+07   10.0
H1'  19 1H2' 19   2.601e+07   25.0
H1'  20 H2    4   2.348e+06   10.0
1H2' 20 H8   20   1.216e+07   10.0
H1'  20 1H2' 20   1.000e+07   24.4
H1'  20 H4'  20   7.495e+06   18.6
H1'  20 H8   20   3.654e+06   10.0
#
# (4)  Integrated intensities of cross-peaks in the 400-ms
#       D2O NOESY dataset.
#
HEADER prepared from tnn_006_mar26_02.mardilist by mardi.in   Tue Mar 26 15:36:51 2002
MIXING TIME: 0.4
ATOM1   ATOM2   INTENSITY   ERROR    Note    
1H2'  1 H1'   1   1.042e+08   10.0
1H2'  1 H8    1   6.475e+07   10.0
H1'   1 H8    1   2.763e+07   10.8
H1'   1 H8    2   2.868e+07   10.0
1H2'  2 H1'   2   7.965e+07   10.0
H1'   2 H2    2   5.833e+06   10.0
H1'   2 H8    2   2.640e+07   10.0
1H2'  2 H1'   3   3.765e+07   10.0
1H2'  2 H6    3   1.004e+08   10.0
H1'   2 H6    3   1.560e+07   10.0
H2    2 H1'   3   2.406e+07   14.1
H6    3 H8    2   1.248e+07   10.0
H5    3 H6    3   2.006e+08   10.0
1H2'  3 H8    4   1.955e+08   10.0
H1'   3 H8    4   3.968e+07   10.0
H5    3 H8    4   4.560e+06   10.0
H1'   4 H2    4   1.023e+07   10.0
H1'   4 H8    4   3.144e+07   14.9
1H2'  4 H1'   5   3.068e+07   10.0
1H2'  4 H8    5   2.346e+08   10.0
H1'   4 H8    5   2.854e+07   10.0
H2    4 H1'  19   6.041e+06   10.2
H2    4 H1'  20   1.659e+07   24.9
H1'   5 H2    4   5.143e+07   10.0
H8    5 H8    4   1.433e+07   10.0
1H2'  5 H8    5   2.866e+07   11.8
H1'   5 H8    5   2.191e+07   10.0
H3'   5 H8    5   8.212e+07   15.1
H4'   5 H8    5   1.890e+07   10.0
1H2'  5 H5    6   6.413e+07   12.7
H1'   5 H5    6   9.245e+06   10.0
H8    5 H5    6   1.435e+07   11.2
H1'   6 1H2'  5   4.496e+07   10.0
H1'   6 1H2'  6   1.700e+08   16.3
H1'   6 H5    6   8.046e+06   10.0
H5    6 H6    6   1.895e+08   10.0
1H2'  6 H5    7   8.688e+07   10.0
1H2'  6 H6    7   2.520e+08   10.0
H1'   6 H6    7   2.968e+07   10.9
H5    6 H6    7   7.440e+06   26.4
H5    7 H5    6   1.863e+07   10.0
1H2'  7 H6    7   3.383e+07   10.0
H1'   7 1H2'  7   1.428e+08   10.0
H1'   7 H6    7   3.062e+07   10.0
H3'   7 H6    7   2.021e+08   10.0
H5    7 H6    7   1.947e+08   10.0
1H2'  7 H1'   8   2.050e+07   14.2
1H2'  7 H5    8   7.097e+07   10.0
1H2'  7 H6    8   2.127e+08   10.0
H3'   7 H6    8   1.365e+08   10.0
H5    7 H5    8   3.175e+07   10.0
H6    7 H5    8   1.875e+07   10.0
H1'   7 H2   17   5.766e+07   10.0
H1'   8 H5    8   6.827e+06   10.0
H1'   8 H6    8   3.675e+07   10.0
H5    8 H6    8   1.939e+08   10.0
1H2'  8 H2   15   2.392e+07   10.0
H3'   9 H1'   9   6.131e+07   10.0
H5    9 H6    9   2.311e+08   10.0
1H2'  9 H5   10   5.096e+07   10.0
H3'   9 H5   10   5.305e+07   10.0
1H2' 10 H3'  10   2.010e+08   10.0
1H2' 10 H4'  10   5.210e+07   10.0
1H2' 10 H5   10   1.051e+07   14.9
1H2' 10 H6   10   4.429e+07   10.0
H1'  10 1H2' 10   1.558e+08   10.0
H3'  10 H5   10   3.710e+07   13.5
H5   10 H6   10   2.389e+08   10.0
1H2' 10 1H2' 11   4.099e+07   10.0
1H2' 10 2H5' 11   1.966e+07   30.1
1H2' 10 H8   11   1.989e+07   10.0
H1'  10 H8   11   8.481e+06   14.7
H6   10 H8   11   5.323e+06   10.0
1H2' 10 H5   12   1.412e+08   10.0
H1'  10 H5   12   2.032e+07   10.0
H1'  10 H6   12   7.296e+06   15.2
1H2' 11 1H5' 11   2.789e+07   14.0 Pk1: ?? Pk2: ??
1H2' 11 2H5' 11   3.604e+07   14.2
1H2' 11 H3'  11   2.041e+08   10.0
1H2' 11 H8   11   2.538e+08   10.0
1H5' 11 H1'  11   1.730e+07   10.0
1H5' 11 H8   11   1.521e+07   10.0
2H5' 11 H1'  11   1.906e+07   10.0
2H5' 11 H8   11   1.366e+07   10.0
H1'  11 1H2' 11   8.703e+07   11.1
H1'  11 H2   11   6.040e+06   10.0
H1'  11 H4'  11   5.953e+07   15.5
H1'  11 H8   11   3.683e+07   19.5
H3'  11 H1'  11   3.425e+07   10.0
1H2' 11 1H5' 12   1.179e+07   10.0
1H2' 11 2H5' 12   8.622e+06   23.5
1H2' 11 H5   12   4.581e+07   10.8
1H2' 11 H6   12   5.485e+07   10.0
1H5' 11 H5   12   8.561e+07   10.0
1H5' 11 H6   12   2.988e+07   16.2
2H5' 11 H5   12   1.170e+08   13.4
2H5' 11 H6   12   4.328e+07   10.0
H4'  11 H6   12   5.226e+07   15.8
H8   11 H5   12   1.273e+07   15.1
H8   11 H6   12   7.951e+06   11.5
1H5' 12 H1'  11   6.780e+06   10.0
1H5' 12 H6   12   3.477e+07   11.8
2H5' 12 1H5' 12   4.310e+08   10.0
2H5' 12 H6   12   2.990e+07   12.4
H1'  12 1H2' 12   1.477e+08   11.2
H1'  12 H6   12   5.010e+07   10.0
H3'  12 1H5' 12   1.005e+08   10.1
H3'  12 2H5' 12   1.413e+08   12.0
H3'  12 H4'  12   1.342e+08   10.0
H3'  12 H6   12   7.153e+07   10.0
H4'  12 2H5' 12   2.302e+08   10.0
H5   12 1H5' 12   1.080e+07   10.0
H5   12 H6   12   1.980e+08   10.0
1H5' 12 1H5' 13   2.038e+07   10.0
1H5' 12 H8   13   8.185e+06   10.0
2H5' 12 1H5' 13   1.584e+07   10.2
2H5' 12 H8   13   3.264e+06   10.0
H4'  12 1H2' 13   1.056e+07   21.4
H4'  12 H3'  13   3.746e+07   10.0
H3'  13 1H5' 12   8.653e+06   10.0
1H2' 13 H3'  13   2.315e+08   10.0
1H2' 13 H8   13   2.325e+07   10.0
H1'  13 1H2' 13   1.702e+08   10.0
H1'  13 H8   13   1.678e+08   10.0
1H2' 13 H8   14   2.670e+07   10.0
H1'  13 H8   14   5.071e+06   16.4
H3'  13 H8   14   4.374e+07   10.0
H8   14 H8   15   1.797e+07   10.0
1H2' 15 H2   15   8.534e+06   10.0
H1'  15 H2   15   8.161e+06   16.6
H1'  15 H8   15   3.165e+07   10.0
1H2' 15 H1'  16   3.312e+07   10.0
H1'  15 H8   16   2.635e+07   10.0
H2   15 H1'  16   6.759e+07   10.0
1H2' 16 H8   16   2.659e+07   15.6
H1'  16 1H2' 16   1.924e+08   10.0
H1'  16 H8   16   3.135e+07   10.0
H8   17 H1'  16   4.093e+07   10.0
H1'  17 1H2' 17   2.320e+08   16.5
H1'  17 H8   17   3.165e+07   10.0
1H2' 17 H5   18   8.002e+07   11.7
1H2' 17 H6   18   2.252e+08   10.0
H1'  17 H5   18   6.253e+06   10.0
H1'  17 H6   18   2.541e+07   10.0
H2   17 H1'  18   5.691e+07   11.5
H8   17 H5   18   2.459e+07   16.8
1H2' 18 H5   18   1.008e+07   11.9
1H2' 18 H6   18   3.409e+07   10.0
H3'  18 H5   18   2.820e+07   10.0
H3'  18 H6   18   1.201e+08   10.0
H4'  18 H1'  18   7.539e+07   10.0
H4'  18 H5   18   7.188e+06   10.0
H4'  18 H6   18   3.193e+07   15.4
H5   18 H6   18   2.009e+08   10.0
1H2' 18 H1'  19   2.286e+07   19.7
1H2' 18 H6   19   2.239e+08   10.0
H1'  19 1H2' 19   1.976e+08   19.7
1H2' 20 H8   20   1.289e+08   10.0
H1'  20 1H2' 20   9.635e+07   12.0
H1'  20 H4'  20   6.110e+07   10.2
H1'  20 H8   20   2.982e+07   10.8
#
# (5) Proton chemical shifts. Nonexchangeable protons are
# at 30 oC; exchangeable protons are at 20 oC.
#
#  "nd" stands for "not determined"
#
      H1'   H2    H2'   H3'   H4'   H5    H5"   H5'   H6    H8     H1      H3     H41  H42
 G1  5.70    -   4.74   nd    nd    -     nd    nd    -    8.01    nd      -       -    -  
 A2  5.99  8.01  4.78   nd    nd    -     nd    nd    -    8.26    -       -       -    -  
 C3  5.41    -   4.52   nd    nd   5.70   nd    nd   7.79   -      -       -     7.78  7.01
 A4  5.97  7.29  4.77   nd    nd    -     nd   4.27   -    8.14    -       -       -    -  
 G5  5.63    -   4.42  4.50  4.57   -    4.45  4.13   -    7.28  13.52     -       -    -  
 U6  5.59    -   4.52   nd    nd   5.08   nd   4.11  7.76   -      -     14.38     -    -  
 C7  5.62    -   4.37  4.49   nd   5.69   nd   4.13  7.89   -      -       -     8.50  6.94
 U8  5.54    -   4.55   nd    nd   5.43  4.60  4.12  7.94   -      -     13.90     -    -  
 C9  5.56    -   4.45  4.33   nd   5.64   nd    nd   7.78   -      -       -     8.39  6.86
U10  5.56    -   3.81  4.60  4.56  5.76  4.55  4.14  7.79   -      -    (11.60)    -    -  
A11  6.14  8.30  5.12  4.14  4.59   -    4.07  4.21   -    8.78    -       -       -    -  
C12  5.97    -   4.13  4.52  3.82  6.18  3.65  2.79  7.71   -      -       -     6.29  7.16
G13  5.96    -   4.84  5.63  4.42   -    4.42  4.21   -    7.83   9.81     -       -    -  
G14  4.44    -   4.53  4.35  4.41   -    4.54  4.31   -    8.30  12.46     -       -    -  
A15  5.99  7.47  4.71  4.69   nd    -     nd    nd    -    7.76    -       -       -    -  
G16  5.61    -   4.55   nd    nd    -    4.46  4.08   -    7.12  12.58     -       -    -  
A17  5.99  7.84  4.61   nd    nd    -     nd   4.14   -    7.80    -       -       -    -  
C18  5.39    -   4.28  4.34  4.43  5.24  4.51  4.06  7.43   -      -       -     8.38  6.98
U19  5.59    -   4.39   nd    nd   5.39   nd    nd   7.80   -      -     13.69     -    -  
G20  5.92    -   4.21  4.40  4.30   -    4.48  4.11   -    7.78    nd      -       -    -  

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  23.202  -9.122  13.193
    2   2H5*    G   1          2H5*        G   1  21.850  -8.575  14.185
    3    H4*    G   1           H4*        G   1  21.817  -9.178  11.264
    4    H3*    G   1           H3*        G   1  22.776  -6.808  12.163
    5    H2*    G   1           H2*        G   1  20.804  -6.084  13.405
    6   2HO*    G   1          2HO*        G   1  19.655  -4.702  12.119
    7    H1*    G   1           H1*        G   1  19.066  -7.108  11.149
    8    H8     G   1           H8         G   1  18.806  -8.548  14.681
    9    H1     G   1           H1         G   1  14.332  -4.239  13.096
   10   1H2     G   1          1H2         G   1  14.837  -3.266  11.123
   11   2H2     G   1          2H2         G   1  16.260  -3.730  10.288
   12   1H5*    A   2          1H5*        A   2  23.278  -4.105   8.321
   13   2H5*    A   2          2H5*        A   2  21.746  -4.637   9.014
   14    H4*    A   2           H4*        A   2  22.518  -4.800   6.157
   15    H3*    A   2           H3*        A   2  20.946  -2.570   7.497
   16    H2*    A   2           H2*        A   2  19.574  -2.498   5.452
   17   2HO*    A   2          2HO*        A   2  20.172  -3.229   3.623
   18    H1*    A   2           H1*        A   2  19.287  -5.187   5.133
   19    H8     A   2           H8         A   2  19.089  -3.897   8.781
   20   1H6     A   2          1H6         A   2  12.981  -4.123   7.942
   21   2H6     A   2          2H6         A   2  14.255  -3.822   9.073
   22    H2     A   2           H2         A   2  14.973  -5.153   4.054
   23   1H5*    C   3          1H5*        C   3  21.043   1.203   3.913
   24   2H5*    C   3          2H5*        C   3  19.926   0.712   5.187
   25    H4*    C   3           H4*        C   3  19.974  -0.100   2.334
   26    H3*    C   3           H3*        C   3  18.030   1.666   3.829
   27    H2*    C   3           H2*        C   3  16.233   0.663   2.476
   28   2HO*    C   3          2HO*        C   3  16.553  -0.478   0.730
   29    H1*    C   3           H1*        C   3  16.967  -1.922   2.716
   30   1H4     C   3          1H4         C   3  13.090  -1.129   7.645
   31   2H4     C   3          2H4         C   3  14.446  -0.803   8.669
   32    H5     C   3           H5         C   3  16.713  -0.585   7.839
   33    H6     C   3           H6         C   3  18.106  -0.644   5.819
   34   1H5*    A   4          1H5*        A   4  16.979   1.964  -0.239
   35   2H5*    A   4          2H5*        A   4  16.555   3.653  -0.511
   36    H4*    A   4           H4*        A   4  14.860   2.105  -1.193
   37    H3*    A   4           H3*        A   4  14.069   4.124   0.935
   38    H2*    A   4           H2*        A   4  11.813   3.133   0.837
   39   2HO*    A   4          2HO*        A   4  12.684   1.592  -1.323
   40    H1*    A   4           H1*        A   4  12.585   0.523   0.808
   41    H8     A   4           H8         A   4  14.970   2.167   3.230
   42   1H6     A   4          1H6         A   4  10.592   1.361   7.503
   43   2H6     A   4          2H6         A   4  12.238   1.813   7.215
   44    H2     A   4           H2         A   4   8.831   0.400   3.489
   45   1H5*    G   5          1H5*        G   5  10.948   4.169  -1.795
   46   2H5*    G   5          2H5*        G   5  10.553   5.869  -2.052
   47    H4*    G   5           H4*        G   5   8.649   4.595  -1.477
   48    H3*    G   5           H3*        G   5   9.405   6.726   0.554
   49    H2*    G   5           H2*        G   5   7.406   6.031   1.818
   50   2HO*    G   5          2HO*        G   5   6.739   4.350  -0.308
   51    H1*    G   5           H1*        G   5   7.760   3.343   1.573
   52    H8     G   5           H8         G   5  11.231   4.805   2.118
   53    H1     G   5           H1         G   5   7.805   3.866   7.455
   54   1H2     G   5          1H2         G   5   5.669   3.351   6.942
   55   2H2     G   5          2H2         G   5   5.189   3.263   5.297
   56   1H5*    U   6          1H5*        U   6   5.335   7.244  -0.192
   57   2H5*    U   6          2H5*        U   6   5.006   8.977  -0.197
   58    H4*    U   6           H4*        U   6   3.618   7.757   1.306
   59    H3*    U   6           H3*        U   6   5.417   9.854   2.578
   60    H2*    U   6           H2*        U   6   4.385   9.260   4.721
   61   2HO*    U   6          2HO*        U   6   2.579   8.167   4.916
   62    H1*    U   6           H1*        U   6   4.337   6.544   4.352
   63    H3     U   6           H3         U   6   7.353   7.009   7.626
   64    H5     U   6           H5         U   6   9.465   7.962   4.132
   65    H6     U   6           H6         U   6   7.386   7.852   2.926
   66   1H5*    C   7          1H5*        C   7   1.544  10.525   4.152
   67   2H5*    C   7          2H5*        C   7   1.399  12.271   4.351
   68    H4*    C   7           H4*        C   7   0.981  11.000   6.345
   69    H3*    C   7           H3*        C   7   3.236  13.040   6.465
   70    H2*    C   7           H2*        C   7   3.529  12.408   8.805
   71   2HO*    C   7          2HO*        C   7   2.083  11.369   9.956
   72    H1*    C   7           H1*        C   7   3.142   9.698   8.498
   73   1H4     C   7          1H4         C   7   9.431  10.109   8.735
   74   2H4     C   7          2H4         C   7   9.505  10.594   7.074
   75    H5     C   7           H5         C   7   7.535  11.008   5.723
   76    H6     C   7           H6         C   7   5.081  11.029   5.742
   77   1H5*    U   8          1H5*        U   8   0.926  13.703   9.921
   78   2H5*    U   8          2H5*        U   8   0.863  15.454  10.121
   79    H4*    U   8           H4*        U   8   1.627  14.327  12.065
   80    H3*    U   8           H3*        U   8   3.632  16.231  10.795
   81    H2*    U   8           H2*        U   8   5.149  15.672  12.628
   82   2HO*    U   8          2HO*        U   8   4.546  14.772  14.448
   83    H1*    U   8           H1*        U   8   4.586  12.979  12.754
   84    H3     U   8           H3         U   8   8.829  12.897  11.373
   85    H5     U   8           H5         U   8   6.674  13.983   7.946
   86    H6     U   8           H6         U   8   4.701  14.133   9.315
   87   1H5*    C   9          1H5*        C   9   3.799  17.659  14.830
   88   2H5*    C   9          2H5*        C   9   3.532  19.383  14.573
   89    H4*    C   9           H4*        C   9   5.414  19.125  15.867
   90    H3*    C   9           H3*        C   9   6.146  20.005  13.049
   91    H2*    C   9           H2*        C   9   8.467  20.005  13.741
   92   2HO*    C   9          2HO*        C   9   9.124  20.115  15.753
   93    H1*    C   9           H1*        C   9   8.360  17.795  15.421
   94   1H4     C   9          1H4         C   9  11.236  15.504  10.291
   95   2H4     C   9          2H4         C   9   9.718  15.314   9.479
   96    H5     C   9           H5         C   9   7.610  16.062  10.412
   97    H6     C   9           H6         C   9   6.569  17.155  12.347
   98   1H5*    U  10          1H5*        U  10   8.490  22.604  15.271
   99   2H5*    U  10          2H5*        U  10   8.317  24.151  14.443
  100    H4*    U  10           H4*        U  10  10.573  23.498  14.603
  101    H3*    U  10           H3*        U  10   9.512  23.612  11.756
  102    H2*    U  10           H2*        U  10  11.772  23.005  11.023
  103   2HO*    U  10          2HO*        U  10  13.497  23.021  12.345
  104    H1*    U  10           H1*        U  10  12.276  21.122  12.948
  105    H3     U  10           H3         U  10  11.899  18.130   9.729
  106    H5     U  10           H5         U  10   8.102  19.907   9.778
  107    H6     U  10           H6         U  10   8.899  21.408  11.481
  108   1H5*    A  11          1H5*        A  11  12.720  27.914  10.754
  109   2H5*    A  11          2H5*        A  11  13.274  26.645   9.662
  110    H4*    A  11           H4*        A  11  15.117  27.828  10.587
  111    H3*    A  11           H3*        A  11  15.115  25.085  10.530
  112    H2*    A  11           H2*        A  11  14.676  24.690  12.874
  113   2HO*    A  11          2HO*        A  11  16.508  24.259  13.857
  114    H1*    A  11           H1*        A  11  16.386  27.093  13.576
  115    H8     A  11           H8         A  11  13.098  25.274  14.496
  116   1H6     A  11          1H6         A  11  14.185  27.430  20.174
  117   2H6     A  11          2H6         A  11  13.156  26.438  19.198
  118    H2     A  11           H2         A  11  17.321  29.079  17.419
  119   1H5*    C  12          1H5*        C  12  17.902  23.574  10.685
  120   2H5*    C  12          2H5*        C  12  18.971  23.820   9.303
  121    H4*    C  12           H4*        C  12  18.461  21.502   9.677
  122    H3*    C  12           H3*        C  12  18.579  22.523   7.174
  123    H2*    C  12           H2*        C  12  16.193  22.939   6.854
  124   2HO*    C  12          2HO*        C  12  15.339  21.166   5.759
  125    H1*    C  12           H1*        C  12  15.605  20.274   8.159
  126   1H4     C  12          1H4         C  12   9.686  22.346   8.248
  127   2H4     C  12          2H4         C  12  10.164  23.924   8.776
  128    H5     C  12           H5         C  12  12.475  24.567   9.118
  129    H6     C  12           H6         C  12  14.796  23.776   9.009
  130   1H5*    G  13          1H5*        G  13  21.682  21.566   9.530
  131   2H5*    G  13          2H5*        G  13  22.340  19.991   9.088
  132    H4*    G  13           H4*        G  13  22.659  20.109  11.304
  133    H3*    G  13           H3*        G  13  20.247  18.417  10.755
  134    H2*    G  13           H2*        G  13  19.515  18.468  12.951
  135   2HO*    G  13          2HO*        G  13  21.112  17.380  13.827
  136    H1*    G  13           H1*        G  13  21.221  20.642  13.881
  137    H8     G  13           H8         G  13  19.711  22.194  15.296
  138    H1     G  13           H1         G  13  14.529  20.351  12.002
  139   1H2     G  13          1H2         G  13  15.117  18.984  10.305
  140   2H2     G  13          2H2         G  13  16.769  18.589  10.069
  141   1H5*    G  14          1H5*        G  14  22.023  14.564  11.470
  142   2H5*    G  14          2H5*        G  14  20.584  13.846  10.747
  143    H4*    G  14           H4*        G  14  20.961  15.096  13.250
  144    H3*    G  14           H3*        G  14  18.732  13.415  12.093
  145    H2*    G  14           H2*        G  14  17.270  14.316  13.860
  146   2HO*    G  14          2HO*        G  14  17.967  15.370  15.560
  147    H1*    G  14           H1*        G  14  17.952  16.917  13.633
  148    H8     G  14           H8         G  14  18.125  15.881  10.034
  149    H1     G  14           H1         G  14  12.163  16.710  12.240
  150   1H2     G  14          1H2         G  14  12.170  16.890  14.489
  151   2H2     G  14          2H2         G  14  13.656  16.798  15.341
  152   1H5*    A  15          1H5*        A  15  18.430  12.960  16.167
  153   2H5*    A  15          2H5*        A  15  18.206  11.239  16.480
  154    H4*    A  15           H4*        A  15  16.559  12.633  17.519
  155    H3*    A  15           H3*        A  15  15.533  10.571  15.538
  156    H2*    A  15           H2*        A  15  13.265  11.372  16.092
  157   2HO*    A  15          2HO*        A  15  12.795  12.518  17.776
  158    H1*    A  15           H1*        A  15  13.810  14.034  16.016
  159    H8     A  15           H8         A  15  15.860  12.816  13.139
  160   1H6     A  15          1H6         A  15  10.660  12.826   9.819
  161   2H6     A  15          2H6         A  15  12.384  12.690   9.768
  162    H2     A  15           H2         A  15   9.573  13.405  14.134
  163   1H5*    G  16          1H5*        G  16  13.123  10.077  18.828
  164   2H5*    G  16          2H5*        G  16  12.947   8.345  19.106
  165    H4*    G  16           H4*        G  16  10.859   9.452  18.966
  166    H3*    G  16           H3*        G  16  11.367   7.395  16.785
  167    H2*    G  16           H2*        G  16   9.102   7.906  15.965
  168   2HO*    G  16          2HO*        G  16   7.639   8.940  17.080
  169    H1*    G  16           H1*        G  16   9.248  10.618  16.204
  170    H8     G  16           H8         G  16  12.658   9.673  14.891
  171    H1     G  16           H1         G  16   8.045   9.821  10.441
  172   1H2     G  16          1H2         G  16   6.015   9.987  11.414
  173   2H2     G  16          2H2         G  16   5.897  10.055  13.123
  174   1H5*    A  17          1H5*        A  17   7.521   6.632  18.371
  175   2H5*    A  17          2H5*        A  17   7.351   4.878  18.437
  176    H4*    A  17           H4*        A  17   5.556   5.987  17.309
  177    H3*    A  17           H3*        A  17   7.138   3.969  15.674
  178    H2*    A  17           H2*        A  17   5.594   4.439  13.829
  179   2HO*    A  17          2HO*        A  17   3.722   5.392  14.053
  180    H1*    A  17           H1*        A  17   5.458   7.157  14.164
  181    H8     A  17           H8         A  17   9.098   6.168  14.590
  182   1H6     A  17          1H6         A  17   9.533   6.671   8.457
  183   2H6     A  17          2H6         A  17  10.406   6.457   9.936
  184    H2     A  17           H2         A  17   5.201   6.981   9.588
  185   1H5*    C  18          1H5*        C  18   3.083   3.054  15.080
  186   2H5*    C  18          2H5*        C  18   2.966   1.298  14.974
  187    H4*    C  18           H4*        C  18   2.023   2.469  13.105
  188    H3*    C  18           H3*        C  18   4.276   0.517  12.498
  189    H2*    C  18           H2*        C  18   3.960   1.069  10.137
  190   2HO*    C  18          2HO*        C  18   2.235   2.016   9.349
  191    H1*    C  18           H1*        C  18   3.557   3.772  10.451
  192   1H4     C  18          1H4         C  18   9.630   3.563   8.768
  193   2H4     C  18          2H4         C  18  10.106   3.118  10.372
  194    H5     C  18           H5         C  18   8.522   2.672  12.151
  195    H6     C  18           H6         C  18   6.134   2.574  12.708
  196   1H5*    U  19          1H5*        U  19   1.358  -0.407   9.695
  197   2H5*    U  19          2H5*        U  19   1.272  -2.168   9.650
  198    H4*    U  19           H4*        U  19   1.588  -1.242   7.506
  199    H3*    U  19           H3*        U  19   3.903  -2.955   8.487
  200    H2*    U  19           H2*        U  19   4.986  -2.537   6.348
  201   2HO*    U  19          2HO*        U  19   3.987  -1.911   4.602
  202    H1*    U  19           H1*        U  19   4.216   0.103   6.054
  203    H3     U  19           H3         U  19   8.644   0.545   6.364
  204    H5     U  19           H5         U  19   7.433  -0.253  10.298
  205    H6     U  19           H6         U  19   5.212  -0.649   9.462
  206   1H5*    G  20          1H5*        G  20   3.174  -4.412   4.656
  207   2H5*    G  20          2H5*        G  20   3.284  -6.167   4.776
  208    H4*    G  20           H4*        G  20   4.697  -5.310   3.100
  209    H3*    G  20           H3*        G  20   6.162  -6.624   5.418
  210    H2*    G  20           H2*        G  20   8.240  -6.146   4.264
  211   2HO*    G  20          2HO*        G  20   6.627  -5.730   2.031
  212    H1*    G  20           H1*        G  20   7.525  -3.679   3.208
  213    H8     G  20           H8         G  20   6.790  -4.125   6.976
  214    H1     G  20           H1         G  20  12.489  -1.597   5.482
  215   1H2     G  20          1H2         G  20  12.821  -1.659   3.251
  216   2H2     G  20          2H2         G  20  11.611  -2.324   2.232
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  14.902  -1.942  13.858
    2   2H5*    G   1          2H5*        G   1  14.148  -3.211  12.893
    3    H4*    G   1           H4*        G   1  16.795  -3.313  14.255
    4    H3*    G   1           H3*        G   1  16.194  -2.706  11.371
    5    H2*    G   1           H2*        G   1  18.045  -4.174  10.737
    6   2HO*    G   1          2HO*        G   1  18.677  -4.360  13.454
    7    H1*    G   1           H1*        G   1  17.522  -6.273  12.346
    8    H8     G   1           H8         G   1  13.994  -5.428  11.660
    9    H1     G   1           H1         G   1  16.995  -8.007   6.615
   10   1H2     G   1          1H2         G   1  19.227  -8.022   6.947
   11   2H2     G   1          2H2         G   1  19.872  -7.393   8.407
   12   1H5*    A   2          1H5*        A   2  20.052  -2.530  11.041
   13   2H5*    A   2          2H5*        A   2  20.441  -0.942  10.380
   14    H4*    A   2           H4*        A   2  21.396  -2.617   9.051
   15    H3*    A   2           H3*        A   2  19.197  -1.071   7.669
   16    H2*    A   2           H2*        A   2  19.568  -2.501   5.699
   17   2HO*    A   2          2HO*        A   2  21.724  -2.569   5.698
   18    H1*    A   2           H1*        A   2  19.664  -4.882   6.969
   19    H8     A   2           H8         A   2  17.071  -3.226   9.063
   20   1H6     A   2          1H6         A   2  13.025  -4.551   4.598
   21   2H6     A   2          2H6         A   2  13.222  -3.999   6.226
   22    H2     A   2           H2         A   2  17.157  -5.316   3.022
   23   1H5*    C   3          1H5*        C   3  21.146  -0.405   4.752
   24   2H5*    C   3          2H5*        C   3  21.083   1.303   4.318
   25    H4*    C   3           H4*        C   3  19.982  -0.041   2.725
   26    H3*    C   3           H3*        C   3  18.155   1.874   4.220
   27    H2*    C   3           H2*        C   3  16.332   1.023   2.798
   28   2HO*    C   3          2HO*        C   3  16.623  -0.091   1.032
   29    H1*    C   3           H1*        C   3  16.970  -1.621   2.960
   30   1H4     C   3          1H4         C   3  12.674  -0.922   7.546
   31   2H4     C   3          2H4         C   3  13.928  -0.574   8.689
   32    H5     C   3           H5         C   3  16.257  -0.320   8.068
   33    H6     C   3           H6         C   3  17.828  -0.359   6.183
   34   1H5*    A   4          1H5*        A   4  17.293   2.331   0.104
   35   2H5*    A   4          2H5*        A   4  17.026   4.057  -0.148
   36    H4*    A   4           H4*        A   4  15.243   2.732  -0.978
   37    H3*    A   4           H3*        A   4  14.498   4.626   1.279
   38    H2*    A   4           H2*        A   4  12.185   3.815   1.002
   39   2HO*    A   4          2HO*        A   4  11.495   2.743  -0.670
   40    H1*    A   4           H1*        A   4  12.771   1.166   0.794
   41    H8     A   4           H8         A   4  15.114   2.606   3.424
   42   1H6     A   4          1H6         A   4  10.594   1.456   7.462
   43   2H6     A   4          2H6         A   4  12.243   1.943   7.268
   44    H2     A   4           H2         A   4   8.994   0.762   3.327
   45   1H5*    G   5          1H5*        G   5  11.588   5.122  -1.693
   46   2H5*    G   5          2H5*        G   5  11.217   6.845  -1.749
   47    H4*    G   5           H4*        G   5   9.287   5.476  -1.464
   48    H3*    G   5           H3*        G   5   9.860   7.437   0.786
   49    H2*    G   5           H2*        G   5   7.785   6.618   1.836
   50   2HO*    G   5          2HO*        G   5   6.312   5.497   0.838
   51    H1*    G   5           H1*        G   5   8.205   3.964   1.406
   52    H8     G   5           H8         G   5  11.600   5.437   2.307
   53    H1     G   5           H1         G   5   7.847   3.979   7.297
   54   1H2     G   5          1H2         G   5   5.764   3.468   6.595
   55   2H2     G   5          2H2         G   5   5.399   3.511   4.919
   56   1H5*    U   6          1H5*        U   6   5.861   8.033  -0.149
   57   2H5*    U   6          2H5*        U   6   5.521   9.756   0.013
   58    H4*    U   6           H4*        U   6   4.090   8.386   1.337
   59    H3*    U   6           H3*        U   6   5.832  10.348   2.873
   60    H2*    U   6           H2*        U   6   4.722   9.534   4.910
   61   2HO*    U   6          2HO*        U   6   2.937   8.387   4.919
   62    H1*    U   6           H1*        U   6   4.762   6.873   4.290
   63    H3     U   6           H3         U   6   7.729   7.093   7.630
   64    H5     U   6           H5         U   6   9.855   8.430   4.273
   65    H6     U   6           H6         U   6   7.794   8.384   3.032
   66   1H5*    C   7          1H5*        C   7   1.917  10.798   4.364
   67   2H5*    C   7          2H5*        C   7   1.710  12.513   4.721
   68    H4*    C   7           H4*        C   7   1.241  11.075   6.575
   69    H3*    C   7           H3*        C   7   3.477  13.098   6.969
   70    H2*    C   7           H2*        C   7   3.667  12.242   9.266
   71   2HO*    C   7          2HO*        C   7   1.373  10.721   8.793
   72    H1*    C   7           H1*        C   7   3.450   9.585   8.668
   73   1H4     C   7          1H4         C   7   9.710  10.312   8.891
   74   2H4     C   7          2H4         C   7   9.736  10.954   7.283
   75    H5     C   7           H5         C   7   7.729  11.386   5.992
   76    H6     C   7           H6         C   7   5.279  11.271   6.031
   77   1H5*    U   8          1H5*        U   8   1.257  13.403  10.430
   78   2H5*    U   8          2H5*        U   8   0.948  15.127  10.633
   79    H4*    U   8           H4*        U   8   1.791  14.229  12.606
   80    H3*    U   8           H3*        U   8   3.749  16.128  11.261
   81    H2*    U   8           H2*        U   8   5.243  15.744  13.163
   82   2HO*    U   8          2HO*        U   8   4.636  14.906  15.009
   83    H1*    U   8           H1*        U   8   4.819  13.042  13.408
   84    H3     U   8           H3         U   8   9.080  13.240  12.048
   85    H5     U   8           H5         U   8   6.846  13.762   8.539
   86    H6     U   8           H6         U   8   4.865  13.882   9.899
   87   1H5*    C   9          1H5*        C   9   3.504  18.155  14.968
   88   2H5*    C   9          2H5*        C   9   3.316  19.847  14.509
   89    H4*    C   9           H4*        C   9   5.144  19.574  15.931
   90    H3*    C   9           H3*        C   9   5.925  20.387  13.110
   91    H2*    C   9           H2*        C   9   8.226  20.337  13.779
   92   2HO*    C   9          2HO*        C   9   7.278  20.422  16.404
   93    H1*    C   9           H1*        C   9   8.049  18.262  15.662
   94   1H4     C   9          1H4         C   9  11.254  15.541  10.965
   95   2H4     C   9          2H4         C   9   9.819  15.396  10.007
   96    H5     C   9           H5         C   9   7.673  16.295  10.685
   97    H6     C   9           H6         C   9   6.504  17.527  12.456
   98   1H5*    U  10          1H5*        U  10   8.287  23.085  15.100
   99   2H5*    U  10          2H5*        U  10   8.156  24.556  14.135
  100    H4*    U  10           H4*        U  10  10.383  23.765  14.284
  101    H3*    U  10           H3*        U  10   9.214  23.776  11.477
  102    H2*    U  10           H2*        U  10  11.393  22.976  10.698
  103   2HO*    U  10          2HO*        U  10  13.155  22.870  12.068
  104    H1*    U  10           H1*        U  10  11.866  21.194  12.730
  105    H3     U  10           H3         U  10  11.270  18.204   9.515
  106    H5     U  10           H5         U  10   7.443  19.845  10.012
  107    H6     U  10           H6         U  10   8.389  21.404  11.581
  108   1H5*    A  11          1H5*        A  11  12.649  27.792  10.115
  109   2H5*    A  11          2H5*        A  11  12.996  26.462   9.009
  110    H4*    A  11           H4*        A  11  14.999  27.521   9.800
  111    H3*    A  11           H3*        A  11  14.738  24.767   9.717
  112    H2*    A  11           H2*        A  11  14.644  24.353  12.080
  113   2HO*    A  11          2HO*        A  11  16.633  23.971  12.863
  114    H1*    A  11           H1*        A  11  16.507  26.697  12.561
  115    H8     A  11           H8         A  11  13.050  25.477  13.869
  116   1H6     A  11          1H6         A  11  15.496  26.536  19.433
  117   2H6     A  11          2H6         A  11  14.098  25.995  18.570
  118    H2     A  11           H2         A  11  18.564  27.579  16.328
  119   1H5*    C  12          1H5*        C  12  17.483  23.030   9.672
  120   2H5*    C  12          2H5*        C  12  18.354  23.141   8.142
  121    H4*    C  12           H4*        C  12  17.750  20.876   8.798
  122    H3*    C  12           H3*        C  12  17.773  21.684   6.223
  123    H2*    C  12           H2*        C  12  15.412  22.293   6.026
  124   2HO*    C  12          2HO*        C  12  14.346  20.553   5.099
  125    H1*    C  12           H1*        C  12  14.695  19.780   7.548
  126   1H4     C  12          1H4         C  12   9.007  22.444   7.678
  127   2H4     C  12          2H4         C  12   9.634  23.898   8.377
  128    H5     C  12           H5         C  12  11.996  24.263   8.787
  129    H6     C  12           H6         C  12  14.226  23.259   8.588
  130   1H5*    G  13          1H5*        G  13  20.983  20.929   8.140
  131   2H5*    G  13          2H5*        G  13  21.539  19.285   7.826
  132    H4*    G  13           H4*        G  13  22.187  19.763   9.941
  133    H3*    G  13           H3*        G  13  19.774  17.956   9.992
  134    H2*    G  13           H2*        G  13  19.530  18.191  12.305
  135   2HO*    G  13          2HO*        G  13  21.111  18.134  13.629
  136    H1*    G  13           H1*        G  13  21.022  20.634  12.630
  137    H8     G  13           H8         G  13  19.487  22.118  14.075
  138    H1     G  13           H1         G  13  14.253  19.587  11.373
  139   1H2     G  13          1H2         G  13  14.829  18.131   9.747
  140   2H2     G  13          2H2         G  13  16.487  17.852   9.408
  141   1H5*    G  14          1H5*        G  14  21.917  15.826  12.760
  142   2H5*    G  14          2H5*        G  14  21.481  14.141  12.480
  143    H4*    G  14           H4*        G  14  20.802  15.323  14.622
  144    H3*    G  14           H3*        G  14  19.013  13.415  13.101
  145    H2*    G  14           H2*        G  14  17.263  13.898  14.766
  146   2HO*    G  14          2HO*        G  14  17.610  14.893  16.606
  147    H1*    G  14           H1*        G  14  17.530  16.587  14.821
  148    H8     G  14           H8         G  14  18.103  15.230  11.255
  149    H1     G  14           H1         G  14  12.076  16.833  12.747
  150   1H2     G  14          1H2         G  14  11.916  17.347  14.938
  151   2H2     G  14          2H2         G  14  13.313  17.271  15.932
  152   1H5*    A  15          1H5*        A  15  18.559  12.541  17.220
  153   2H5*    A  15          2H5*        A  15  18.341  10.794  17.325
  154    H4*    A  15           H4*        A  15  16.599  12.123  18.348
  155    H3*    A  15           H3*        A  15  15.783  10.132  16.199
  156    H2*    A  15           H2*        A  15  13.471  10.824  16.604
  157   2HO*    A  15          2HO*        A  15  12.812  11.839  18.327
  158    H1*    A  15           H1*        A  15  13.946  13.517  16.875
  159    H8     A  15           H8         A  15  16.006  12.429  13.905
  160   1H6     A  15          1H6         A  15  10.882  13.153  10.547
  161   2H6     A  15          2H6         A  15  12.589  12.873  10.501
  162    H2     A  15           H2         A  15   9.776  13.471  14.884
  163   1H5*    G  16          1H5*        G  16  13.127   9.476  19.323
  164   2H5*    G  16          2H5*        G  16  12.858   7.735  19.408
  165    H4*    G  16           H4*        G  16  10.863   9.063  19.175
  166    H3*    G  16           H3*        G  16  11.395   6.961  17.041
  167    H2*    G  16           H2*        G  16   9.305   7.625  15.999
  168   2HO*    G  16          2HO*        G  16   7.748   8.664  16.982
  169    H1*    G  16           H1*        G  16   9.490  10.346  16.491
  170    H8     G  16           H8         G  16  12.850   9.469  15.078
  171    H1     G  16           H1         G  16   8.205   9.877  10.678
  172   1H2     G  16          1H2         G  16   6.181   9.963  11.671
  173   2H2     G  16          2H2         G  16   6.075   9.917  13.383
  174   1H5*    A  17          1H5*        A  17   7.374   6.371  18.373
  175   2H5*    A  17          2H5*        A  17   7.124   4.625  18.373
  176    H4*    A  17           H4*        A  17   5.480   5.871  17.145
  177    H3*    A  17           H3*        A  17   7.056   3.781  15.594
  178    H2*    A  17           H2*        A  17   5.705   4.367  13.650
  179   2HO*    A  17          2HO*        A  17   3.857   5.385  13.739
  180    H1*    A  17           H1*        A  17   5.618   7.092  14.076
  181    H8     A  17           H8         A  17   9.209   6.025  14.599
  182   1H6     A  17          1H6         A  17   9.872   6.600   8.493
  183   2H6     A  17          2H6         A  17  10.687   6.356   9.998
  184    H2     A  17           H2         A  17   5.505   6.949   9.471
  185   1H5*    C  18          1H5*        C  18   2.953   3.094  14.739
  186   2H5*    C  18          2H5*        C  18   2.769   1.345  14.612
  187    H4*    C  18           H4*        C  18   1.964   2.570  12.712
  188    H3*    C  18           H3*        C  18   4.159   0.526  12.191
  189    H2*    C  18           H2*        C  18   3.982   1.107   9.828
  190   2HO*    C  18          2HO*        C  18   2.335   2.138   8.965
  191    H1*    C  18           H1*        C  18   3.640   3.825  10.147
  192   1H4     C  18          1H4         C  18   9.755   3.431   8.648
  193   2H4     C  18          2H4         C  18  10.168   2.986  10.271
  194    H5     C  18           H5         C  18   8.516   2.594  12.001
  195    H6     C  18           H6         C  18   6.109   2.564  12.481
  196   1H5*    U  19          1H5*        U  19   1.191  -0.208   9.309
  197   2H5*    U  19          2H5*        U  19   1.114  -1.959   9.114
  198    H4*    U  19           H4*        U  19   1.458  -0.775   7.071
  199    H3*    U  19           H3*        U  19   3.641  -2.739   7.865
  200    H2*    U  19           H2*        U  19   4.793  -2.156   5.814
  201   2HO*    U  19          2HO*        U  19   2.404  -0.945   5.016
  202    H1*    U  19           H1*        U  19   4.153   0.545   5.779
  203    H3     U  19           H3         U  19   8.589   0.796   6.113
  204    H5     U  19           H5         U  19   7.374  -0.477   9.919
  205    H6     U  19           H6         U  19   5.133  -0.672   9.065
  206   1H5*    G  20          1H5*        G  20   3.015  -3.727   3.895
  207   2H5*    G  20          2H5*        G  20   2.961  -5.490   3.861
  208    H4*    G  20           H4*        G  20   4.547  -4.666   2.349
  209    H3*    G  20           H3*        G  20   5.769  -6.218   4.662
  210    H2*    G  20           H2*        G  20   7.941  -5.840   3.644
  211   2HO*    G  20          2HO*        G  20   7.380  -6.364   1.592
  212    H1*    G  20           H1*        G  20   7.485  -3.261   2.740
  213    H8     G  20           H8         G  20   6.496  -4.011   6.412
  214    H1     G  20           H1         G  20  12.341  -1.551   5.474
  215   1H2     G  20          1H2         G  20  12.791  -1.402   3.267
  216   2H2     G  20          2H2         G  20  11.619  -1.918   2.127
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  22.868 -10.574   7.437
    2   2H5*    G   1          2H5*        G   1  21.874 -10.606   5.979
    3    H4*    G   1           H4*        G   1  23.514  -8.359   6.985
    4    H3*    G   1           H3*        G   1  21.216  -8.696   8.231
    5    H2*    G   1           H2*        G   1  19.814  -9.247   6.239
    6   2HO*    G   1          2HO*        G   1  18.567  -7.402   5.886
    7    H1*    G   1           H1*        G   1  20.812  -6.706   4.979
    8    H8     G   1           H8         G   1  21.660 -10.153   3.512
    9    H1     G   1           H1         G   1  16.842  -7.024   0.665
   10   1H2     G   1          1H2         G   1  16.293  -5.179   1.844
   11   2H2     G   1          2H2         G   1  17.148  -4.806   3.282
   12   1H5*    A   2          1H5*        A   2  22.409  -3.012   9.052
   13   2H5*    A   2          2H5*        A   2  21.063  -4.111   9.355
   14    H4*    A   2           H4*        A   2  22.397  -4.061   6.731
   15    H3*    A   2           H3*        A   2  20.571  -1.827   7.615
   16    H2*    A   2           H2*        A   2  19.460  -1.986   5.430
   17   2HO*    A   2          2HO*        A   2  21.406  -3.840   4.676
   18    H1*    A   2           H1*        A   2  19.197  -4.669   5.308
   19    H8     A   2           H8         A   2  18.805  -3.320   8.902
   20   1H6     A   2          1H6         A   2  12.757  -3.404   7.689
   21   2H6     A   2          2H6         A   2  13.965  -3.131   8.897
   22    H2     A   2           H2         A   2  14.959  -4.479   3.929
   23   1H5*    C   3          1H5*        C   3  20.954   1.820   4.057
   24   2H5*    C   3          2H5*        C   3  19.723   1.320   5.216
   25    H4*    C   3           H4*        C   3  20.059   0.507   2.383
   26    H3*    C   3           H3*        C   3  17.958   2.247   3.680
   27    H2*    C   3           H2*        C   3  16.312   1.224   2.164
   28   2HO*    C   3          2HO*        C   3  16.796   0.120   0.453
   29    H1*    C   3           H1*        C   3  17.050  -1.354   2.479
   30   1H4     C   3          1H4         C   3  12.708  -0.555   7.012
   31   2H4     C   3          2H4         C   3  13.969  -0.291   8.169
   32    H5     C   3           H5         C   3  16.310  -0.114   7.565
   33    H6     C   3           H6         C   3  17.886  -0.159   5.685
   34   1H5*    A   4          1H5*        A   4  17.180   2.683  -0.368
   35   2H5*    A   4          2H5*        A   4  16.792   4.384  -0.625
   36    H4*    A   4           H4*        A   4  15.082   2.929  -1.400
   37    H3*    A   4           H3*        A   4  14.274   4.814   0.839
   38    H2*    A   4           H2*        A   4  12.013   3.852   0.650
   39   2HO*    A   4          2HO*        A   4  11.349   2.679  -0.967
   40    H1*    A   4           H1*        A   4  12.757   1.241   0.492
   41    H8     A   4           H8         A   4  15.121   2.849   2.992
   42   1H6     A   4          1H6         A   4  10.807   1.623   7.228
   43   2H6     A   4          2H6         A   4  12.426   2.169   6.959
   44    H2     A   4           H2         A   4   9.080   0.767   3.175
   45   1H5*    G   5          1H5*        G   5  11.169   5.055  -1.890
   46   2H5*    G   5          2H5*        G   5  10.731   6.762  -1.982
   47    H4*    G   5           H4*        G   5   8.891   5.336  -1.471
   48    H3*    G   5           H3*        G   5   9.578   7.419   0.635
   49    H2*    G   5           H2*        G   5   7.657   6.591   1.906
   50   2HO*    G   5          2HO*        G   5   6.110   5.407   1.103
   51    H1*    G   5           H1*        G   5   8.054   3.913   1.446
   52    H8     G   5           H8         G   5  11.459   5.438   2.207
   53    H1     G   5           H1         G   5   7.942   3.929   7.351
   54   1H2     G   5          1H2         G   5   5.839   3.388   6.738
   55   2H2     G   5          2H2         G   5   5.403   3.424   5.080
   56   1H5*    U   6          1H5*        U   6   5.464   7.793  -0.046
   57   2H5*    U   6          2H5*        U   6   5.065   9.508   0.048
   58    H4*    U   6           H4*        U   6   3.751   8.171   1.506
   59    H3*    U   6           H3*        U   6   5.520  10.234   2.872
   60    H2*    U   6           H2*        U   6   4.546   9.485   4.990
   61   2HO*    U   6          2HO*        U   6   2.777   8.345   5.159
   62    H1*    U   6           H1*        U   6   4.560   6.792   4.455
   63    H3     U   6           H3         U   6   7.651   7.005   7.663
   64    H5     U   6           H5         U   6   9.619   8.490   4.271
   65    H6     U   6           H6         U   6   7.522   8.398   3.097
   66   1H5*    C   7          1H5*        C   7   1.688  10.688   4.559
   67   2H5*    C   7          2H5*        C   7   1.459  12.420   4.800
   68    H4*    C   7           H4*        C   7   1.111  11.124   6.772
   69    H3*    C   7           H3*        C   7   3.347  13.182   6.912
   70    H2*    C   7           H2*        C   7   3.677  12.502   9.228
   71   2HO*    C   7          2HO*        C   7   2.262  11.412  10.376
   72    H1*    C   7           H1*        C   7   3.288   9.791   8.871
   73   1H4     C   7          1H4         C   7   9.579  10.204   9.096
   74   2H4     C   7          2H4         C   7   9.646  10.723   7.445
   75    H5     C   7           H5         C   7   7.671  11.164   6.111
   76    H6     C   7           H6         C   7   5.218  11.184   6.137
   77   1H5*    U   8          1H5*        U   8   1.104  13.751  10.401
   78   2H5*    U   8          2H5*        U   8   1.023  15.496  10.646
   79    H4*    U   8           H4*        U   8   1.845  14.311  12.539
   80    H3*    U   8           H3*        U   8   3.764  16.317  11.299
   81    H2*    U   8           H2*        U   8   5.361  15.738  13.017
   82   2HO*    U   8          2HO*        U   8   3.214  14.545  14.340
   83    H1*    U   8           H1*        U   8   4.760  13.025  13.196
   84    H3     U   8           H3         U   8   9.050  12.928  11.941
   85    H5     U   8           H5         U   8   6.982  13.939   8.438
   86    H6     U   8           H6         U   8   4.977  14.122   9.753
   87   1H5*    C   9          1H5*        C   9   3.609  18.290  15.103
   88   2H5*    C   9          2H5*        C   9   3.393  19.977  14.637
   89    H4*    C   9           H4*        C   9   5.292  19.749  15.956
   90    H3*    C   9           H3*        C   9   5.929  20.464  13.077
   91    H2*    C   9           H2*        C   9   8.254  20.383  13.582
   92   2HO*    C   9          2HO*        C   9   9.094  20.726  15.494
   93    H1*    C   9           H1*        C   9   8.156  18.438  15.630
   94   1H4     C   9          1H4         C   9  11.202  15.331  11.078
   95   2H4     C   9          2H4         C   9   9.775  15.249  10.100
   96    H5     C   9           H5         C   9   7.680  16.299  10.718
   97    H6     C   9           H6         C   9   6.564  17.651  12.435
   98   1H5*    U  10          1H5*        U  10   8.413  23.255  14.996
   99   2H5*    U  10          2H5*        U  10   8.280  24.677  13.961
  100    H4*    U  10           H4*        U  10  10.507  23.881  14.145
  101    H3*    U  10           H3*        U  10   9.329  23.791  11.343
  102    H2*    U  10           H2*        U  10  11.506  22.954  10.589
  103   2HO*    U  10          2HO*        U  10  13.273  22.909  11.900
  104    H1*    U  10           H1*        U  10  11.960  21.229  12.671
  105    H3     U  10           H3         U  10  11.245  18.042   9.695
  106    H5     U  10           H5         U  10   7.528  19.972   9.901
  107    H6     U  10           H6         U  10   8.515  21.564  11.410
  108   1H5*    A  11          1H5*        A  11  12.764  27.746   9.749
  109   2H5*    A  11          2H5*        A  11  13.093  26.321   8.763
  110    H4*    A  11           H4*        A  11  15.119  27.395   9.384
  111    H3*    A  11           H3*        A  11  14.860  24.680   9.654
  112    H2*    A  11           H2*        A  11  14.597  24.592  12.055
  113   2HO*    A  11          2HO*        A  11  16.479  24.130  12.959
  114    H1*    A  11           H1*        A  11  16.588  26.863  12.331
  115    H8     A  11           H8         A  11  13.146  25.674  13.675
  116   1H6     A  11          1H6         A  11  15.118  28.007  19.034
  117   2H6     A  11          2H6         A  11  13.843  27.154  18.234
  118    H2     A  11           H2         A  11  18.231  28.837  15.911
  119   1H5*    C  12          1H5*        C  12  17.470  22.827   9.837
  120   2H5*    C  12          2H5*        C  12  18.496  22.936   8.407
  121    H4*    C  12           H4*        C  12  17.845  20.677   9.013
  122    H3*    C  12           H3*        C  12  18.175  21.406   6.460
  123    H2*    C  12           H2*        C  12  15.885  22.189   6.023
  124   2HO*    C  12          2HO*        C  12  14.916  20.689   4.811
  125    H1*    C  12           H1*        C  12  14.845  19.685   7.352
  126   1H4     C  12          1H4         C  12   9.436  22.879   6.831
  127   2H4     C  12          2H4         C  12   9.996  24.082   7.943
  128    H5     C  12           H5         C  12  12.243  24.105   8.854
  129    H6     C  12           H6         C  12  14.402  22.939   8.848
  130   1H5*    G  13          1H5*        G  13  21.053  20.770   8.424
  131   2H5*    G  13          2H5*        G  13  21.681  19.135   8.217
  132    H4*    G  13           H4*        G  13  22.240  19.736  10.326
  133    H3*    G  13           H3*        G  13  19.922  17.837  10.354
  134    H2*    G  13           H2*        G  13  19.396  18.257  12.565
  135   2HO*    G  13          2HO*        G  13  20.800  18.201  14.075
  136    H1*    G  13           H1*        G  13  21.024  20.656  12.904
  137    H8     G  13           H8         G  13  19.551  22.280  14.262
  138    H1     G  13           H1         G  13  14.218  19.814  11.697
  139   1H2     G  13          1H2         G  13  14.735  18.252  10.151
  140   2H2     G  13          2H2         G  13  16.379  17.892   9.826
  141   1H5*    G  14          1H5*        G  14  21.959  15.888  13.229
  142   2H5*    G  14          2H5*        G  14  21.642  14.165  13.027
  143    H4*    G  14           H4*        G  14  20.710  15.388  15.016
  144    H3*    G  14           H3*        G  14  19.071  13.414  13.397
  145    H2*    G  14           H2*        G  14  17.205  13.901  14.932
  146   2HO*    G  14          2HO*        G  14  17.411  14.924  16.771
  147    H1*    G  14           H1*        G  14  17.477  16.603  14.972
  148    H8     G  14           H8         G  14  18.216  15.391  11.413
  149    H1     G  14           H1         G  14  12.037  16.447  12.759
  150   1H2     G  14          1H2         G  14  11.764  16.837  14.965
  151   2H2     G  14          2H2         G  14  13.129  16.818  16.005
  152   1H5*    A  15          1H5*        A  15  18.340  12.624  17.475
  153   2H5*    A  15          2H5*        A  15  18.205  10.873  17.622
  154    H4*    A  15           H4*        A  15  16.342  12.108  18.513
  155    H3*    A  15           H3*        A  15  15.740  10.085  16.323
  156    H2*    A  15           H2*        A  15  13.385  10.673  16.588
  157   2HO*    A  15          2HO*        A  15  12.573  11.642  18.265
  158    H1*    A  15           H1*        A  15  13.725  13.387  16.907
  159    H8     A  15           H8         A  15  15.970  12.409  14.033
  160   1H6     A  15          1H6         A  15  10.990  12.959  10.434
  161   2H6     A  15          2H6         A  15  12.707  12.748  10.470
  162    H2     A  15           H2         A  15   9.662  13.192  14.715
  163   1H5*    G  16          1H5*        G  16  13.038   9.315  19.444
  164   2H5*    G  16          2H5*        G  16  12.814   7.568  19.526
  165    H4*    G  16           H4*        G  16  10.780   8.821  19.318
  166    H3*    G  16           H3*        G  16  11.366   6.796  17.123
  167    H2*    G  16           H2*        G  16   9.226   7.414  16.134
  168   2HO*    G  16          2HO*        G  16   7.677   8.432  17.159
  169    H1*    G  16           H1*        G  16   9.368  10.128  16.630
  170    H8     G  16           H8         G  16  12.753   9.162  15.247
  171    H1     G  16           H1         G  16   8.187   9.951  10.815
  172   1H2     G  16          1H2         G  16   6.160  10.122  11.793
  173   2H2     G  16          2H2         G  16   6.031  10.033  13.501
  174   1H5*    A  17          1H5*        A  17   7.382   6.101  18.441
  175   2H5*    A  17          2H5*        A  17   7.145   4.354  18.384
  176    H4*    A  17           H4*        A  17   5.494   5.634  17.196
  177    H3*    A  17           H3*        A  17   7.075   3.591  15.591
  178    H2*    A  17           H2*        A  17   5.757   4.226  13.656
  179   2HO*    A  17          2HO*        A  17   3.895   5.237  13.743
  180    H1*    A  17           H1*        A  17   5.589   6.943  14.194
  181    H8     A  17           H8         A  17   9.207   5.891  14.594
  182   1H6     A  17          1H6         A  17   9.745   6.844   8.522
  183   2H6     A  17          2H6         A  17  10.593   6.515   9.995
  184    H2     A  17           H2         A  17   5.397   7.094   9.603
  185   1H5*    C  18          1H5*        C  18   2.972   2.895  14.718
  186   2H5*    C  18          2H5*        C  18   2.801   1.149  14.534
  187    H4*    C  18           H4*        C  18   1.989   2.401  12.668
  188    H3*    C  18           H3*        C  18   4.253   0.453  12.090
  189    H2*    C  18           H2*        C  18   4.067   1.112   9.746
  190   2HO*    C  18          2HO*        C  18   2.404   2.139   8.915
  191    H1*    C  18           H1*        C  18   3.665   3.806  10.161
  192   1H4     C  18          1H4         C  18   9.815   3.670   8.791
  193   2H4     C  18          2H4         C  18  10.206   3.068  10.367
  194    H5     C  18           H5         C  18   8.530   2.489  12.020
  195    H6     C  18           H6         C  18   6.117   2.386  12.452
  196   1H5*    U  19          1H5*        U  19   1.500  -0.322   9.098
  197   2H5*    U  19          2H5*        U  19   1.382  -2.079   8.992
  198    H4*    U  19           H4*        U  19   1.835  -1.075   6.902
  199    H3*    U  19           H3*        U  19   4.023  -2.911   7.941
  200    H2*    U  19           H2*        U  19   5.278  -2.446   5.940
  201   2HO*    U  19          2HO*        U  19   2.893  -1.452   4.888
  202    H1*    U  19           H1*        U  19   4.496   0.216   5.602
  203    H3     U  19           H3         U  19   8.959   0.495   5.959
  204    H5     U  19           H5         U  19   7.616   0.011   9.901
  205    H6     U  19           H6         U  19   5.410  -0.388   9.030
  206   1H5*    G  20          1H5*        G  20   3.261  -4.110   3.879
  207   2H5*    G  20          2H5*        G  20   3.342  -5.871   3.919
  208    H4*    G  20           H4*        G  20   4.727  -4.971   2.240
  209    H3*    G  20           H3*        G  20   6.232  -6.402   4.462
  210    H2*    G  20           H2*        G  20   8.282  -5.929   3.213
  211   2HO*    G  20          2HO*        G  20   7.515  -6.450   1.224
  212    H1*    G  20           H1*        G  20   7.654  -3.364   2.454
  213    H8     G  20           H8         G  20   6.839  -4.269   6.137
  214    H1     G  20           H1         G  20  12.511  -1.478   5.063
  215   1H2     G  20          1H2         G  20  12.866  -1.238   2.847
  216   2H2     G  20          2H2         G  20  11.677  -1.779   1.735
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  21.246  -9.398  10.543
    2   2H5*    G   1          2H5*        G   1  19.848 -10.123   9.752
    3    H4*    G   1           H4*        G   1  21.450  -7.808   8.808
    4    H3*    G   1           H3*        G   1  19.681  -7.329  10.729
    5    H2*    G   1           H2*        G   1  17.781  -8.606   9.774
    6   2HO*    G   1          2HO*        G   1  16.368  -7.095   8.980
    7    H1*    G   1           H1*        G   1  18.243  -7.190   7.158
    8    H8     G   1           H8         G   1  18.722 -10.970   7.394
    9    H1     G   1           H1         G   1  13.023  -9.052   5.170
   10   1H2     G   1          1H2         G   1  12.787  -6.822   5.423
   11   2H2     G   1          2H2         G   1  14.055  -5.910   6.130
   12   1H5*    A   2          1H5*        A   2  22.384  -5.523   8.049
   13   2H5*    A   2          2H5*        A   2  23.116  -3.920   7.988
   14    H4*    A   2           H4*        A   2  22.272  -4.510   5.890
   15    H3*    A   2           H3*        A   2  20.761  -2.211   7.180
   16    H2*    A   2           H2*        A   2  19.407  -2.132   5.118
   17   2HO*    A   2          2HO*        A   2  19.975  -2.980   3.308
   18    H1*    A   2           H1*        A   2  19.021  -4.810   4.855
   19    H8     A   2           H8         A   2  18.879  -3.521   8.500
   20   1H6     A   2          1H6         A   2  12.770  -3.401   7.641
   21   2H6     A   2          2H6         A   2  14.055  -3.182   8.779
   22    H2     A   2           H2         A   2  14.715  -4.496   3.747
   23   1H5*    C   3          1H5*        C   3  21.012   1.555   3.612
   24   2H5*    C   3          2H5*        C   3  19.845   1.020   4.822
   25    H4*    C   3           H4*        C   3  20.025   0.254   1.959
   26    H3*    C   3           H3*        C   3  18.042   2.052   3.361
   27    H2*    C   3           H2*        C   3  16.296   1.088   1.912
   28   2HO*    C   3          2HO*        C   3  18.315  -0.281   0.550
   29    H1*    C   3           H1*        C   3  16.968  -1.509   2.176
   30   1H4     C   3          1H4         C   3  12.860  -0.675   6.906
   31   2H4     C   3          2H4         C   3  14.166  -0.356   7.997
   32    H5     C   3           H5         C   3  16.474  -0.159   7.283
   33    H6     C   3           H6         C   3  17.966  -0.238   5.336
   34   1H5*    A   4          1H5*        A   4  17.103   2.524  -0.671
   35   2H5*    A   4          2H5*        A   4  16.755   4.239  -0.894
   36    H4*    A   4           H4*        A   4  14.977   2.846  -1.620
   37    H3*    A   4           H3*        A   4  14.301   4.711   0.683
   38    H2*    A   4           H2*        A   4  12.007   3.811   0.550
   39   2HO*    A   4          2HO*        A   4  12.774   2.412  -1.742
   40    H1*    A   4           H1*        A   4  12.679   1.188   0.292
   41    H8     A   4           H8         A   4  15.132   2.662   2.788
   42   1H6     A   4          1H6         A   4  10.873   1.422   7.076
   43   2H6     A   4          2H6         A   4  12.500   1.934   6.789
   44    H2     A   4           H2         A   4   9.043   0.728   3.037
   45   1H5*    G   5          1H5*        G   5  11.141   5.090  -2.007
   46   2H5*    G   5          2H5*        G   5  10.735   6.806  -2.040
   47    H4*    G   5           H4*        G   5   8.869   5.404  -1.559
   48    H3*    G   5           H3*        G   5   9.617   7.399   0.608
   49    H2*    G   5           H2*        G   5   7.681   6.557   1.869
   50   2HO*    G   5          2HO*        G   5   6.122   5.403   1.023
   51    H1*    G   5           H1*        G   5   8.061   3.901   1.363
   52    H8     G   5           H8         G   5  11.509   5.360   2.036
   53    H1     G   5           H1         G   5   8.116   3.883   7.272
   54   1H2     G   5          1H2         G   5   5.984   3.389   6.718
   55   2H2     G   5          2H2         G   5   5.501   3.445   5.073
   56   1H5*    U   6          1H5*        U   6   5.505   7.810  -0.013
   57   2H5*    U   6          2H5*        U   6   5.111   9.523   0.127
   58    H4*    U   6           H4*        U   6   3.807   8.120   1.549
   59    H3*    U   6           H3*        U   6   5.523  10.206   2.947
   60    H2*    U   6           H2*        U   6   4.572   9.406   5.054
   61   2HO*    U   6          2HO*        U   6   2.800   8.264   5.206
   62    H1*    U   6           H1*        U   6   4.598   6.720   4.465
   63    H3     U   6           H3         U   6   7.591   7.015   7.781
   64    H5     U   6           H5         U   6   9.676   8.318   4.385
   65    H6     U   6           H6         U   6   7.603   8.241   3.165
   66   1H5*    C   7          1H5*        C   7   1.646  10.616   4.607
   67   2H5*    C   7          2H5*        C   7   1.416  12.347   4.855
   68    H4*    C   7           H4*        C   7   1.051  11.034   6.817
   69    H3*    C   7           H3*        C   7   3.273  13.103   6.988
   70    H2*    C   7           H2*        C   7   3.581  12.407   9.314
   71   2HO*    C   7          2HO*        C   7   2.154  11.288  10.426
   72    H1*    C   7           H1*        C   7   3.259   9.704   8.925
   73   1H4     C   7          1H4         C   7   9.540  10.277   9.105
   74   2H4     C   7          2H4         C   7   9.581  10.784   7.450
   75    H5     C   7           H5         C   7   7.587  11.169   6.129
   76    H6     C   7           H6         C   7   5.133  11.129   6.175
   77   1H5*    U   8          1H5*        U   8   1.070  13.597  10.537
   78   2H5*    U   8          2H5*        U   8   0.822  15.339  10.648
   79    H4*    U   8           H4*        U   8   1.674  14.502  12.653
   80    H3*    U   8           H3*        U   8   3.644  16.301  11.188
   81    H2*    U   8           H2*        U   8   5.169  15.969  13.065
   82   2HO*    U   8          2HO*        U   8   4.579  15.302  14.978
   83    H1*    U   8           H1*        U   8   4.635  13.299  13.499
   84    H3     U   8           H3         U   8   8.902  13.128  12.199
   85    H5     U   8           H5         U   8   6.783  13.768   8.638
   86    H6     U   8           H6         U   8   4.788  14.046   9.954
   87   1H5*    C   9          1H5*        C   9   3.488  18.365  15.027
   88   2H5*    C   9          2H5*        C   9   3.316  20.036  14.492
   89    H4*    C   9           H4*        C   9   5.085  19.903  15.964
   90    H3*    C   9           H3*        C   9   6.047  20.370  13.118
   91    H2*    C   9           H2*        C   9   8.312  20.396  13.972
   92   2HO*    C   9          2HO*        C   9   8.828  20.753  16.008
   93    H1*    C   9           H1*        C   9   8.000  18.453  15.933
   94   1H4     C   9          1H4         C   9  11.126  15.235  11.513
   95   2H4     C   9          2H4         C   9   9.746  15.212  10.468
   96    H5     C   9           H5         C   9   7.665  16.339  10.992
   97    H6     C   9           H6         C   9   6.521  17.724  12.664
   98   1H5*    U  10          1H5*        U  10   8.396  23.113  14.849
   99   2H5*    U  10          2H5*        U  10   8.271  24.538  13.817
  100    H4*    U  10           H4*        U  10  10.494  23.801  13.995
  101    H3*    U  10           H3*        U  10   9.335  23.544  11.195
  102    H2*    U  10           H2*        U  10  11.532  22.718  10.493
  103   2HO*    U  10          2HO*        U  10  13.310  22.864  11.731
  104    H1*    U  10           H1*        U  10  12.033  21.136  12.676
  105    H3     U  10           H3         U  10  11.538  17.990   9.566
  106    H5     U  10           H5         U  10   7.624  19.328  10.254
  107    H6     U  10           H6         U  10   8.532  21.039  11.679
  108   1H5*    A  11          1H5*        A  11  12.655  27.567   9.540
  109   2H5*    A  11          2H5*        A  11  13.163  26.161   8.602
  110    H4*    A  11           H4*        A  11  15.047  27.409   9.343
  111    H3*    A  11           H3*        A  11  14.990  24.681   9.628
  112    H2*    A  11           H2*        A  11  14.596  24.590  12.013
  113   2HO*    A  11          2HO*        A  11  16.379  24.053  12.890
  114    H1*    A  11           H1*        A  11  16.363  27.025  12.373
  115    H8     A  11           H8         A  11  13.175  25.265  13.630
  116   1H6     A  11          1H6         A  11  14.208  28.357  18.869
  117   2H6     A  11          2H6         A  11  13.229  27.164  18.086
  118    H2     A  11           H2         A  11  17.195  29.731  15.813
  119   1H5*    C  12          1H5*        C  12  17.779  23.108   9.793
  120   2H5*    C  12          2H5*        C  12  18.810  23.282   8.372
  121    H4*    C  12           H4*        C  12  18.340  20.987   8.885
  122    H3*    C  12           H3*        C  12  18.359  21.856   6.328
  123    H2*    C  12           H2*        C  12  15.957  22.257   6.077
  124   2HO*    C  12          2HO*        C  12  15.076  20.423   5.103
  125    H1*    C  12           H1*        C  12  15.429  19.662   7.534
  126   1H4     C  12          1H4         C  12   9.516  21.761   7.669
  127   2H4     C  12          2H4         C  12  10.007  23.328   8.220
  128    H5     C  12           H5         C  12  12.326  23.954   8.545
  129    H6     C  12           H6         C  12  14.641  23.157   8.388
  130   1H5*    G  13          1H5*        G  13  21.546  21.030   8.676
  131   2H5*    G  13          2H5*        G  13  22.156  19.419   8.300
  132    H4*    G  13           H4*        G  13  22.544  19.616  10.483
  133    H3*    G  13           H3*        G  13  19.959  18.072  10.193
  134    H2*    G  13           H2*        G  13  19.618  18.118  12.526
  135   2HO*    G  13          2HO*        G  13  21.136  17.944  13.927
  136    H1*    G  13           H1*        G  13  21.130  20.464  13.119
  137    H8     G  13           H8         G  13  19.490  22.048  14.347
  138    H1     G  13           H1         G  13  14.529  19.635  11.081
  139   1H2     G  13          1H2         G  13  15.247  18.162   9.529
  140   2H2     G  13          2H2         G  13  16.924  17.843   9.376
  141   1H5*    G  14          1H5*        G  14  21.814  15.658  12.933
  142   2H5*    G  14          2H5*        G  14  21.300  14.005  12.591
  143    H4*    G  14           H4*        G  14  20.654  15.169  14.762
  144    H3*    G  14           H3*        G  14  18.812  13.355  13.185
  145    H2*    G  14           H2*        G  14  17.071  13.856  14.859
  146   2HO*    G  14          2HO*        G  14  17.455  14.802  16.726
  147    H1*    G  14           H1*        G  14  17.442  16.531  14.987
  148    H8     G  14           H8         G  14  17.965  15.358  11.364
  149    H1     G  14           H1         G  14  11.943  16.836  12.995
  150   1H2     G  14          1H2         G  14  11.797  17.212  15.216
  151   2H2     G  14          2H2         G  14  13.200  17.081  16.192
  152   1H5*    A  15          1H5*        A  15  18.385  12.430  17.287
  153   2H5*    A  15          2H5*        A  15  18.157  10.685  17.393
  154    H4*    A  15           H4*        A  15  16.457  12.013  18.483
  155    H3*    A  15           H3*        A  15  15.555  10.054  16.343
  156    H2*    A  15           H2*        A  15  13.253  10.771  16.850
  157   2HO*    A  15          2HO*        A  15  14.285  12.244  18.989
  158    H1*    A  15           H1*        A  15  13.748  13.445  17.001
  159    H8     A  15           H8         A  15  15.854  12.286  14.093
  160   1H6     A  15          1H6         A  15  10.764  12.847  10.654
  161   2H6     A  15          2H6         A  15  12.474  12.586  10.637
  162    H2     A  15           H2         A  15   9.601  13.286  14.967
  163   1H5*    G  16          1H5*        G  16  12.986   9.375  19.462
  164   2H5*    G  16          2H5*        G  16  12.761   7.631  19.596
  165    H4*    G  16           H4*        G  16  10.719   8.838  19.385
  166    H3*    G  16           H3*        G  16  11.308   6.843  17.165
  167    H2*    G  16           H2*        G  16   9.150   7.451  16.200
  168   2HO*    G  16          2HO*        G  16   7.603   8.457  17.265
  169    H1*    G  16           H1*        G  16   9.269  10.155  16.720
  170    H8     G  16           H8         G  16  12.656   9.251  15.306
  171    H1     G  16           H1         G  16   8.046   9.995  10.912
  172   1H2     G  16          1H2         G  16   6.023  10.124  11.905
  173   2H2     G  16          2H2         G  16   5.908  10.023  13.613
  174   1H5*    A  17          1H5*        A  17   7.357   6.041  18.544
  175   2H5*    A  17          2H5*        A  17   7.137   4.295  18.425
  176    H4*    A  17           H4*        A  17   5.466   5.616  17.296
  177    H3*    A  17           H3*        A  17   7.026   3.614  15.620
  178    H2*    A  17           H2*        A  17   5.650   4.305  13.722
  179   2HO*    A  17          2HO*        A  17   4.049   5.681  15.556
  180    H1*    A  17           H1*        A  17   5.591   7.000  14.281
  181    H8     A  17           H8         A  17   9.165   5.807  14.738
  182   1H6     A  17          1H6         A  17   9.850   6.817   8.691
  183   2H6     A  17          2H6         A  17  10.657   6.435  10.173
  184    H2     A  17           H2         A  17   5.497   7.230   9.700
  185   1H5*    C  18          1H5*        C  18   2.981   2.995  14.690
  186   2H5*    C  18          2H5*        C  18   2.778   1.259  14.455
  187    H4*    C  18           H4*        C  18   2.054   2.630  12.612
  188    H3*    C  18           H3*        C  18   4.184   0.536  12.039
  189    H2*    C  18           H2*        C  18   4.142   1.253   9.722
  190   2HO*    C  18          2HO*        C  18   2.543   2.343   8.829
  191    H1*    C  18           H1*        C  18   3.772   3.965  10.174
  192   1H4     C  18          1H4         C  18   9.887   3.645   8.651
  193   2H4     C  18          2H4         C  18  10.300   3.132  10.253
  194    H5     C  18           H5         C  18   8.648   2.661  11.963
  195    H6     C  18           H6         C  18   6.241   2.601  12.439
  196   1H5*    U  19          1H5*        U  19   1.431  -0.017   8.959
  197   2H5*    U  19          2H5*        U  19   1.245  -1.764   8.806
  198    H4*    U  19           H4*        U  19   1.813  -0.684   6.763
  199    H3*    U  19           H3*        U  19   3.795  -2.743   7.785
  200    H2*    U  19           H2*        U  19   5.202  -2.282   5.906
  201   2HO*    U  19          2HO*        U  19   4.521  -1.553   4.043
  202    H1*    U  19           H1*        U  19   4.542   0.432   5.567
  203    H3     U  19           H3         U  19   9.007   0.532   5.930
  204    H5     U  19           H5         U  19   7.652  -0.038   9.857
  205    H6     U  19           H6         U  19   5.431  -0.320   8.977
  206   1H5*    G  20          1H5*        G  20   3.180  -3.818   3.683
  207   2H5*    G  20          2H5*        G  20   3.099  -5.580   3.705
  208    H4*    G  20           H4*        G  20   4.688  -4.789   2.159
  209    H3*    G  20           H3*        G  20   5.864  -6.380   4.466
  210    H2*    G  20           H2*        G  20   8.048  -6.051   3.498
  211   2HO*    G  20          2HO*        G  20   7.514  -6.634   1.450
  212    H1*    G  20           H1*        G  20   7.630  -3.494   2.457
  213    H8     G  20           H8         G  20   6.856  -4.234   6.197
  214    H1     G  20           H1         G  20  12.506  -1.493   4.906
  215   1H2     G  20          1H2         G  20  12.809  -1.320   2.677
  216   2H2     G  20          2H2         G  20  11.594  -1.891   1.609
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  20.302 -10.724   9.104
    2   2H5*    G   1          2H5*        G   1  18.592 -10.373   9.359
    3    H4*    G   1           H4*        G   1  20.403  -9.146   7.328
    4    H3*    G   1           H3*        G   1  20.347  -8.299   9.936
    5    H2*    G   1           H2*        G   1  18.063  -7.529  10.006
    6   2HO*    G   1          2HO*        G   1  19.145  -5.714  10.347
    7    H1*    G   1           H1*        G   1  18.332  -6.539   7.150
    8    H8     G   1           H8         G   1  16.052  -6.450   9.812
    9    H1     G   1           H1         G   1  13.006  -8.168   4.437
   10   1H2     G   1          1H2         G   1  14.486  -8.845   2.873
   11   2H2     G   1          2H2         G   1  16.163  -8.842   3.235
   12   1H5*    A   2          1H5*        A   2  22.955  -3.435   8.593
   13   2H5*    A   2          2H5*        A   2  21.401  -4.138   9.041
   14    H4*    A   2           H4*        A   2  22.570  -4.237   6.322
   15    H3*    A   2           H3*        A   2  20.818  -2.006   7.407
   16    H2*    A   2           H2*        A   2  19.714  -1.984   5.207
   17   2HO*    A   2          2HO*        A   2  20.524  -2.747   3.486
   18    H1*    A   2           H1*        A   2  19.459  -4.678   4.917
   19    H8     A   2           H8         A   2  18.882  -3.218   8.468
   20   1H6     A   2          1H6         A   2  12.893  -3.705   7.070
   21   2H6     A   2          2H6         A   2  14.042  -3.289   8.295
   22    H2     A   2           H2         A   2  15.279  -4.910   3.465
   23   1H5*    C   3          1H5*        C   3  21.278   1.742   3.860
   24   2H5*    C   3          2H5*        C   3  20.065   1.274   5.051
   25    H4*    C   3           H4*        C   3  20.323   0.451   2.214
   26    H3*    C   3           H3*        C   3  18.252   2.177   3.579
   27    H2*    C   3           H2*        C   3  16.572   1.161   2.101
   28   2HO*    C   3          2HO*        C   3  17.010   0.048   0.381
   29    H1*    C   3           H1*        C   3  17.326  -1.421   2.381
   30   1H4     C   3          1H4         C   3  13.104  -0.678   7.033
   31   2H4     C   3          2H4         C   3  14.391  -0.396   8.155
   32    H5     C   3           H5         C   3  16.712  -0.187   7.489
   33    H6     C   3           H6         C   3  18.239  -0.215   5.568
   34   1H5*    A   4          1H5*        A   4  17.331   2.596  -0.431
   35   2H5*    A   4          2H5*        A   4  16.975   4.304  -0.684
   36    H4*    A   4           H4*        A   4  15.212   2.901  -1.412
   37    H3*    A   4           H3*        A   4  14.498   4.767   0.878
   38    H2*    A   4           H2*        A   4  12.216   3.856   0.722
   39   2HO*    A   4          2HO*        A   4  11.489   2.726  -0.891
   40    H1*    A   4           H1*        A   4  12.910   1.230   0.493
   41    H8     A   4           H8         A   4  15.356   2.675   2.995
   42   1H6     A   4          1H6         A   4  11.041   1.562   7.262
   43   2H6     A   4          2H6         A   4  12.683   2.032   6.983
   44    H2     A   4           H2         A   4   9.220   0.896   3.215
   45   1H5*    G   5          1H5*        G   5  11.353   5.125  -1.784
   46   2H5*    G   5          2H5*        G   5  10.965   6.845  -1.860
   47    H4*    G   5           H4*        G   5   9.088   5.472  -1.345
   48    H3*    G   5           H3*        G   5   9.857   7.510   0.780
   49    H2*    G   5           H2*        G   5   7.930   6.731   2.058
   50   2HO*    G   5          2HO*        G   5   6.333   5.603   1.265
   51    H1*    G   5           H1*        G   5   8.211   4.040   1.529
   52    H8     G   5           H8         G   5  11.686   5.323   2.343
   53    H1     G   5           H1         G   5   8.021   4.065   7.451
   54   1H2     G   5          1H2         G   5   5.887   3.693   6.818
   55   2H2     G   5          2H2         G   5   5.468   3.772   5.158
   56   1H5*    U   6          1H5*        U   6   5.724   8.002   0.016
   57   2H5*    U   6          2H5*        U   6   5.367   9.725   0.138
   58    H4*    U   6           H4*        U   6   3.968   8.375   1.512
   59    H3*    U   6           H3*        U   6   5.713  10.385   2.984
   60    H2*    U   6           H2*        U   6   4.644   9.617   5.047
   61   2HO*    U   6          2HO*        U   6   2.860   8.498   5.131
   62    H1*    U   6           H1*        U   6   4.645   6.932   4.468
   63    H3     U   6           H3         U   6   7.626   7.015   7.779
   64    H5     U   6           H5         U   6   9.721   8.599   4.510
   65    H6     U   6           H6         U   6   7.667   8.555   3.259
   66   1H5*    C   7          1H5*        C   7   1.805  10.870   4.500
   67   2H5*    C   7          2H5*        C   7   1.593  12.599   4.779
   68    H4*    C   7           H4*        C   7   1.127  11.263   6.697
   69    H3*    C   7           H3*        C   7   3.398  13.265   6.997
   70    H2*    C   7           H2*        C   7   3.594  12.520   9.313
   71   2HO*    C   7          2HO*        C   7   2.118  11.431  10.356
   72    H1*    C   7           H1*        C   7   3.223   9.827   8.855
   73   1H4     C   7          1H4         C   7   9.505  10.194   9.253
   74   2H4     C   7          2H4         C   7   9.619  10.798   7.635
   75    H5     C   7           H5         C   7   7.682  11.314   6.272
   76    H6     C   7           H6         C   7   5.228  11.339   6.231
   77   1H5*    U   8          1H5*        U   8   0.986  13.794  10.398
   78   2H5*    U   8          2H5*        U   8   0.867  15.539  10.623
   79    H4*    U   8           H4*        U   8   1.558  14.465  12.596
   80    H3*    U   8           H3*        U   8   3.666  16.293  11.387
   81    H2*    U   8           H2*        U   8   5.074  15.734  13.308
   82   2HO*    U   8          2HO*        U   8   4.379  14.820  15.084
   83    H1*    U   8           H1*        U   8   4.498  13.052  13.402
   84    H3     U   8           H3         U   8   8.754  12.897  12.090
   85    H5     U   8           H5         U   8   6.686  14.071   8.636
   86    H6     U   8           H6         U   8   4.690  14.236   9.971
   87   1H5*    C   9          1H5*        C   9   3.358  18.491  15.035
   88   2H5*    C   9          2H5*        C   9   3.231  20.157  14.470
   89    H4*    C   9           H4*        C   9   5.031  19.932  15.925
   90    H3*    C   9           H3*        C   9   5.888  20.488  13.063
   91    H2*    C   9           H2*        C   9   8.173  20.425  13.790
   92   2HO*    C   9          2HO*        C   9   8.827  20.738  15.783
   93    H1*    C   9           H1*        C   9   7.896  18.481  15.793
   94   1H4     C   9          1H4         C   9  11.010  15.339  11.301
   95   2H4     C   9          2H4         C   9   9.569  15.171  10.356
   96    H5     C   9           H5         C   9   7.454  16.185  10.966
   97    H6     C   9           H6         C   9   6.329  17.578  12.645
   98   1H5*    U  10          1H5*        U  10   8.366  23.157  14.915
   99   2H5*    U  10          2H5*        U  10   8.267  24.601  13.907
  100    H4*    U  10           H4*        U  10  10.474  23.817  14.070
  101    H3*    U  10           H3*        U  10   9.306  23.625  11.267
  102    H2*    U  10           H2*        U  10  11.472  22.772  10.546
  103   2HO*    U  10          2HO*        U  10  13.264  22.855  11.761
  104    H1*    U  10           H1*        U  10  11.982  21.177  12.740
  105    H3     U  10           H3         U  10  11.492  17.858   9.856
  106    H5     U  10           H5         U  10   7.655  19.540  10.016
  107    H6     U  10           H6         U  10   8.539  21.251  11.457
  108   1H5*    A  11          1H5*        A  11  12.720  27.602   9.674
  109   2H5*    A  11          2H5*        A  11  13.144  26.204   8.687
  110    H4*    A  11           H4*        A  11  15.088  27.386   9.442
  111    H3*    A  11           H3*        A  11  14.930  24.635   9.570
  112    H2*    A  11           H2*        A  11  14.709  24.406  11.950
  113   2HO*    A  11          2HO*        A  11  16.584  23.986  12.808
  114    H1*    A  11           H1*        A  11  16.513  26.816  12.340
  115    H8     A  11           H8         A  11  13.113  25.419  13.605
  116   1H6     A  11          1H6         A  11  15.067  27.391  19.115
  117   2H6     A  11          2H6         A  11  13.800  26.581  18.257
  118    H2     A  11           H2         A  11  18.164  28.479  16.054
  119   1H5*    C  12          1H5*        C  12  17.748  23.022   9.592
  120   2H5*    C  12          2H5*        C  12  18.674  23.150   8.097
  121    H4*    C  12           H4*        C  12  18.172  20.873   8.714
  122    H3*    C  12           H3*        C  12  18.123  21.685   6.138
  123    H2*    C  12           H2*        C  12  15.735  22.149   5.960
  124   2HO*    C  12          2HO*        C  12  14.748  20.348   5.070
  125    H1*    C  12           H1*        C  12  15.178  19.603   7.502
  126   1H4     C  12          1H4         C  12   9.336  21.889   7.761
  127   2H4     C  12          2H4         C  12   9.889  23.433   8.315
  128    H5     C  12           H5         C  12  12.234  23.984   8.588
  129    H6     C  12           H6         C  12  14.519  23.117   8.368
  130   1H5*    G  13          1H5*        G  13  21.401  20.823   8.334
  131   2H5*    G  13          2H5*        G  13  21.935  19.179   7.984
  132    H4*    G  13           H4*        G  13  22.438  19.472  10.146
  133    H3*    G  13           H3*        G  13  19.858  17.910   9.995
  134    H2*    G  13           H2*        G  13  19.560  18.043  12.314
  135   2HO*    G  13          2HO*        G  13  21.082  17.883  13.698
  136    H1*    G  13           H1*        G  13  21.157  20.378  12.803
  137    H8     G  13           H8         G  13  19.614  22.009  14.094
  138    H1     G  13           H1         G  13  14.442  19.661  11.121
  139   1H2     G  13          1H2         G  13  15.047  18.149   9.559
  140   2H2     G  13          2H2         G  13  16.707  17.789   9.325
  141   1H5*    G  14          1H5*        G  14  21.704  15.547  12.725
  142   2H5*    G  14          2H5*        G  14  21.180  13.893  12.415
  143    H4*    G  14           H4*        G  14  20.521  15.112  14.550
  144    H3*    G  14           H3*        G  14  18.670  13.284  12.995
  145    H2*    G  14           H2*        G  14  16.936  13.823  14.654
  146   2HO*    G  14          2HO*        G  14  17.305  14.819  16.491
  147    H1*    G  14           H1*        G  14  17.342  16.506  14.740
  148    H8     G  14           H8         G  14  17.818  15.235  11.138
  149    H1     G  14           H1         G  14  11.843  16.897  12.766
  150   1H2     G  14          1H2         G  14  11.720  17.334  14.977
  151   2H2     G  14          2H2         G  14  13.127  17.197  15.949
  152   1H5*    A  15          1H5*        A  15  18.252  12.434  17.124
  153   2H5*    A  15          2H5*        A  15  18.030  10.690  17.263
  154    H4*    A  15           H4*        A  15  16.340  12.010  18.360
  155    H3*    A  15           H3*        A  15  15.409  10.057  16.225
  156    H2*    A  15           H2*        A  15  13.118  10.775  16.768
  157   2HO*    A  15          2HO*        A  15  14.186  12.259  18.873
  158    H1*    A  15           H1*        A  15  13.614  13.454  16.881
  159    H8     A  15           H8         A  15  15.711  12.206  13.990
  160   1H6     A  15          1H6         A  15  10.640  12.861  10.537
  161   2H6     A  15          2H6         A  15  12.342  12.550  10.526
  162    H2     A  15           H2         A  15   9.489  13.405  14.841
  163   1H5*    G  16          1H5*        G  16  12.891   9.411  19.440
  164   2H5*    G  16          2H5*        G  16  12.668   7.668  19.583
  165    H4*    G  16           H4*        G  16  10.612   8.846  19.461
  166    H3*    G  16           H3*        G  16  11.133   6.911  17.176
  167    H2*    G  16           H2*        G  16   8.909   7.525  16.329
  168   2HO*    G  16          2HO*        G  16   8.519   8.996  18.664
  169    H1*    G  16           H1*        G  16   9.118  10.218  16.726
  170    H8     G  16           H8         G  16  12.538   9.199  15.463
  171    H1     G  16           H1         G  16   8.092   9.890  10.895
  172   1H2     G  16          1H2         G  16   6.042  10.100  11.814
  173   2H2     G  16          2H2         G  16   5.869  10.062  13.520
  174   1H5*    A  17          1H5*        A  17   7.224   6.126  18.495
  175   2H5*    A  17          2H5*        A  17   7.048   4.371  18.480
  176    H4*    A  17           H4*        A  17   5.326   5.501  17.286
  177    H3*    A  17           H3*        A  17   7.052   3.616  15.638
  178    H2*    A  17           H2*        A  17   5.629   4.168  13.732
  179   2HO*    A  17          2HO*        A  17   3.733   5.095  13.873
  180    H1*    A  17           H1*        A  17   5.378   6.863  14.241
  181    H8     A  17           H8         A  17   9.021   5.938  14.777
  182   1H6     A  17          1H6         A  17   9.734   6.906   8.725
  183   2H6     A  17          2H6         A  17  10.541   6.604  10.226
  184    H2     A  17           H2         A  17   5.347   7.023   9.659
  185   1H5*    C  18          1H5*        C  18   3.020   2.637  14.782
  186   2H5*    C  18          2H5*        C  18   2.973   0.896  14.508
  187    H4*    C  18           H4*        C  18   2.083   2.229  12.711
  188    H3*    C  18           H3*        C  18   4.393   0.367  12.044
  189    H2*    C  18           H2*        C  18   4.175   1.118   9.729
  190   2HO*    C  18          2HO*        C  18   2.495   2.134   8.947
  191    H1*    C  18           H1*        C  18   3.742   3.784  10.260
  192   1H4     C  18          1H4         C  18   9.905   3.748   8.925
  193   2H4     C  18          2H4         C  18  10.291   3.151  10.504
  194    H5     C  18           H5         C  18   8.610   2.535  12.138
  195    H6     C  18           H6         C  18   6.194   2.383  12.544
  196   1H5*    U  19          1H5*        U  19   1.569  -0.318   9.062
  197   2H5*    U  19          2H5*        U  19   1.575  -2.055   8.761
  198    H4*    U  19           H4*        U  19   1.929  -0.738   6.804
  199    H3*    U  19           H3*        U  19   4.173  -2.647   7.555
  200    H2*    U  19           H2*        U  19   5.367  -1.895   5.596
  201   2HO*    U  19          2HO*        U  19   4.485  -0.970   3.922
  202    H1*    U  19           H1*        U  19   4.576   0.777   5.671
  203    H3     U  19           H3         U  19   9.015   1.120   6.087
  204    H5     U  19           H5         U  19   7.725  -0.142   9.871
  205    H6     U  19           H6         U  19   5.518  -0.418   8.952
  206   1H5*    G  20          1H5*        G  20   3.307  -3.189   3.486
  207   2H5*    G  20          2H5*        G  20   3.340  -4.922   3.158
  208    H4*    G  20           H4*        G  20   4.713  -3.464   1.679
  209    H3*    G  20           H3*        G  20   5.289  -6.062   2.370
  210    H2*    G  20           H2*        G  20   7.009  -5.616   3.995
  211   2HO*    G  20          2HO*        G  20   8.348  -5.281   1.573
  212    H1*    G  20           H1*        G  20   7.952  -3.260   2.329
  213    H8     G  20           H8         G  20   6.808  -3.571   6.040
  214    H1     G  20           H1         G  20  12.749  -1.418   4.956
  215   1H2     G  20          1H2         G  20  13.203  -1.431   2.746
  216   2H2     G  20          2H2         G  20  12.010  -1.971   1.638
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  18.298   5.117  15.417
    2   2H5*    G   1          2H5*        G   1  19.319   6.521  15.105
    3    H4*    G   1           H4*        G   1  18.301   4.554  13.111
    4    H3*    G   1           H3*        G   1  20.434   3.917  14.629
    5    H2*    G   1           H2*        G   1  21.806   5.890  14.145
    6   2HO*    G   1          2HO*        G   1  23.040   4.206  13.587
    7    H1*    G   1           H1*        G   1  21.050   5.628  11.230
    8    H8     G   1           H8         G   1  20.627   8.569  13.751
    9    H1     G   1           H1         G   1  24.397   9.594   8.667
   10   1H2     G   1          1H2         G   1  24.584   7.714   7.430
   11   2H2     G   1          2H2         G   1  23.762   6.291   7.922
   12   1H5*    A   2          1H5*        A   2  23.083   0.477  11.917
   13   2H5*    A   2          2H5*        A   2  22.764   2.128  11.386
   14    H4*    A   2           H4*        A   2  23.439   0.597   9.635
   15    H3*    A   2           H3*        A   2  20.806   2.066   9.314
   16    H2*    A   2           H2*        A   2  20.567   0.913   7.148
   17   2HO*    A   2          2HO*        A   2  22.128   0.015   6.117
   18    H1*    A   2           H1*        A   2  21.290  -1.564   7.981
   19    H8     A   2           H8         A   2  19.194   0.400  10.569
   20   1H6     A   2          1H6         A   2  14.394  -2.666   8.197
   21   2H6     A   2          2H6         A   2  14.917  -1.567   9.427
   22    H2     A   2           H2         A   2  18.035  -3.659   5.769
   23   1H5*    C   3          1H5*        C   3  20.838   4.677   5.066
   24   2H5*    C   3          2H5*        C   3  19.581   4.023   6.115
   25    H4*    C   3           H4*        C   3  20.812   2.826   3.688
   26    H3*    C   3           H3*        C   3  18.058   3.914   4.156
   27    H2*    C   3           H2*        C   3  17.139   2.005   2.960
   28   2HO*    C   3          2HO*        C   3  19.764   1.320   2.279
   29    H1*    C   3           H1*        C   3  18.555  -0.004   4.061
   30   1H4     C   3          1H4         C   3  13.562   0.466   7.904
   31   2H4     C   3          2H4         C   3  14.529   1.355   9.032
   32    H5     C   3           H5         C   3  16.788   2.092   8.552
   33    H6     C   3           H6         C   3  18.557   2.101   6.852
   34   1H5*    A   4          1H5*        A   4  17.646   3.846   0.046
   35   2H5*    A   4          2H5*        A   4  17.107   5.470  -0.383
   36    H4*    A   4           H4*        A   4  15.560   3.914  -1.149
   37    H3*    A   4           H3*        A   4  14.481   5.595   1.133
   38    H2*    A   4           H2*        A   4  12.366   4.352   0.881
   39   2HO*    A   4          2HO*        A   4  13.457   3.131  -1.381
   40    H1*    A   4           H1*        A   4  13.439   1.870   0.660
   41    H8     A   4           H8         A   4  15.629   3.561   3.228
   42   1H6     A   4          1H6         A   4  11.369   1.939   7.384
   43   2H6     A   4          2H6         A   4  12.956   2.588   7.147
   44    H2     A   4           H2         A   4   9.720   1.123   3.289
   45   1H5*    G   5          1H5*        G   5  11.414   5.571  -1.597
   46   2H5*    G   5          2H5*        G   5  10.837   7.233  -1.716
   47    H4*    G   5           H4*        G   5   9.083   5.724  -1.259
   48    H3*    G   5           H3*        G   5   9.620   7.734   0.959
   49    H2*    G   5           H2*        G   5   7.724   6.730   2.154
   50   2HO*    G   5          2HO*        G   5   6.282   5.463   1.252
   51    H1*    G   5           H1*        G   5   8.308   4.115   1.605
   52    H8     G   5           H8         G   5  11.606   5.834   2.424
   53    H1     G   5           H1         G   5   8.197   3.916   7.505
   54   1H2     G   5          1H2         G   5   6.135   3.259   6.869
   55   2H2     G   5          2H2         G   5   5.697   3.323   5.212
   56   1H5*    U   6          1H5*        U   6   5.465   7.902   0.046
   57   2H5*    U   6          2H5*        U   6   4.964   9.585   0.218
   58    H4*    U   6           H4*        U   6   3.602   8.101   1.469
   59    H3*    U   6           H3*        U   6   5.164  10.118   3.122
   60    H2*    U   6           H2*        U   6   4.039   9.157   5.096
   61   2HO*    U   6          2HO*        U   6   2.498   7.604   3.360
   62    H1*    U   6           H1*        U   6   4.338   6.539   4.423
   63    H3     U   6           H3         U   6   7.308   6.761   7.724
   64    H5     U   6           H5         U   6   9.214   8.726   4.549
   65    H6     U   6           H6         U   6   7.175   8.523   3.287
   66   1H5*    C   7          1H5*        C   7   1.339  10.392   4.706
   67   2H5*    C   7          2H5*        C   7   1.014  12.121   4.828
   68    H4*    C   7           H4*        C   7   0.630  11.033   6.874
   69    H3*    C   7           H3*        C   7   2.947  13.000   6.945
   70    H2*    C   7           H2*        C   7   3.166  12.454   9.331
   71   2HO*    C   7          2HO*        C   7   1.682  11.439  10.464
   72    H1*    C   7           H1*        C   7   2.820   9.752   9.106
   73   1H4     C   7          1H4         C   7   9.110  10.301   9.153
   74   2H4     C   7          2H4         C   7   9.129  10.587   7.446
   75    H5     C   7           H5         C   7   7.116  10.823   6.116
   76    H6     C   7           H6         C   7   4.664  10.824   6.205
   77   1H5*    U   8          1H5*        U   8   0.754  13.851  10.391
   78   2H5*    U   8          2H5*        U   8   0.662  15.611  10.450
   79    H4*    U   8           H4*        U   8   1.475  14.688  12.465
   80    H3*    U   8           H3*        U   8   3.468  16.447  10.984
   81    H2*    U   8           H2*        U   8   5.015  16.055  12.828
   82   2HO*    U   8          2HO*        U   8   3.927  16.299  14.573
   83    H1*    U   8           H1*        U   8   4.410  13.396  13.254
   84    H3     U   8           H3         U   8   8.670  13.203  11.895
   85    H5     U   8           H5         U   8   6.481  13.748   8.360
   86    H6     U   8           H6         U   8   4.515  14.073   9.707
   87   1H5*    C   9          1H5*        C   9   3.379  18.636  14.876
   88   2H5*    C   9          2H5*        C   9   3.356  20.281  14.239
   89    H4*    C   9           H4*        C   9   5.097  19.986  15.782
   90    H3*    C   9           H3*        C   9   6.050  20.505  12.941
   91    H2*    C   9           H2*        C   9   8.321  20.390  13.763
   92   2HO*    C   9          2HO*        C   9   8.884  20.664  15.791
   93    H1*    C   9           H1*        C   9   7.934  18.403  15.673
   94   1H4     C   9          1H4         C   9  10.884  15.200  11.120
   95   2H4     C   9          2H4         C   9   9.480  15.234  10.109
   96    H5     C   9           H5         C   9   7.444  16.409  10.702
   97    H6     C   9           H6         C   9   6.378  17.795  12.422
   98   1H5*    U  10          1H5*        U  10   8.533  23.101  14.959
   99   2H5*    U  10          2H5*        U  10   8.501  24.565  13.975
  100    H4*    U  10           H4*        U  10  10.693  23.772  14.246
  101    H3*    U  10           H3*        U  10   9.684  23.619  11.381
  102    H2*    U  10           H2*        U  10  11.903  22.765  10.778
  103   2HO*    U  10          2HO*        U  10  13.601  22.798  12.151
  104    H1*    U  10           H1*        U  10  12.238  21.098  12.926
  105    H3     U  10           H3         U  10  11.721  17.825  10.006
  106    H5     U  10           H5         U  10   8.002  19.755   9.903
  107    H6     U  10           H6         U  10   8.882  21.390  11.431
  108   1H5*    A  11          1H5*        A  11  13.052  27.528   9.776
  109   2H5*    A  11          2H5*        A  11  13.411  26.111   8.791
  110    H4*    A  11           H4*        A  11  15.412  27.222   9.460
  111    H3*    A  11           H3*        A  11  15.156  24.483   9.710
  112    H2*    A  11           H2*        A  11  15.025  24.362  12.109
  113   2HO*    A  11          2HO*        A  11  16.898  23.841  12.864
  114    H1*    A  11           H1*        A  11  16.907  26.730  12.322
  115    H8     A  11           H8         A  11  13.735  25.142  13.849
  116   1H6     A  11          1H6         A  11  15.521  27.967  19.035
  117   2H6     A  11          2H6         A  11  14.375  26.883  18.323
  118    H2     A  11           H2         A  11  18.303  29.197  15.735
  119   1H5*    C  12          1H5*        C  12  17.841  22.788   9.628
  120   2H5*    C  12          2H5*        C  12  18.759  22.850   8.123
  121    H4*    C  12           H4*        C  12  18.182  20.608   8.753
  122    H3*    C  12           H3*        C  12  18.061  21.395   6.174
  123    H2*    C  12           H2*        C  12  15.683  21.969   6.095
  124   2HO*    C  12          2HO*        C  12  16.099  20.353   4.592
  125    H1*    C  12           H1*        C  12  15.081  19.458   7.669
  126   1H4     C  12          1H4         C  12   9.370  21.985   8.258
  127   2H4     C  12          2H4         C  12  10.014  23.551   8.619
  128    H5     C  12           H5         C  12  12.390  24.032   8.660
  129    H6     C  12           H6         C  12  14.620  23.059   8.349
  130   1H5*    G  13          1H5*        G  13  21.397  20.472   8.166
  131   2H5*    G  13          2H5*        G  13  21.861  18.814   7.783
  132    H4*    G  13           H4*        G  13  22.525  19.069   9.898
  133    H3*    G  13           H3*        G  13  19.864  17.640   9.957
  134    H2*    G  13           H2*        G  13  19.758  17.797  12.298
  135   2HO*    G  13          2HO*        G  13  22.540  17.944  12.201
  136    H1*    G  13           H1*        G  13  21.494  20.049  12.640
  137    H8     G  13           H8         G  13  20.129  21.728  14.057
  138    H1     G  13           H1         G  13  14.649  19.695  11.422
  139   1H2     G  13          1H2         G  13  15.066  18.172   9.810
  140   2H2     G  13          2H2         G  13  16.685  17.728   9.461
  141   1H5*    G  14          1H5*        G  14  21.638  15.215  12.489
  142   2H5*    G  14          2H5*        G  14  21.066  13.572  12.204
  143    H4*    G  14           H4*        G  14  20.474  14.822  14.338
  144    H3*    G  14           H3*        G  14  18.545  13.042  12.823
  145    H2*    G  14           H2*        G  14  16.848  13.650  14.504
  146   2HO*    G  14          2HO*        G  14  17.287  14.618  16.342
  147    H1*    G  14           H1*        G  14  17.339  16.313  14.566
  148    H8     G  14           H8         G  14  17.749  15.106  10.949
  149    H1     G  14           H1         G  14  11.786  16.684  12.700
  150   1H2     G  14          1H2         G  14  11.690  17.061  14.923
  151   2H2     G  14          2H2         G  14  13.110  16.907  15.871
  152   1H5*    A  15          1H5*        A  15  18.122  12.253  16.959
  153   2H5*    A  15          2H5*        A  15  17.842  10.519  17.113
  154    H4*    A  15           H4*        A  15  16.199  11.919  18.193
  155    H3*    A  15           H3*        A  15  15.206   9.951  16.100
  156    H2*    A  15           H2*        A  15  12.935  10.753  16.624
  157   2HO*    A  15          2HO*        A  15  12.427  11.825  18.348
  158    H1*    A  15           H1*        A  15  13.519  13.413  16.712
  159    H8     A  15           H8         A  15  15.548  12.088  13.811
  160   1H6     A  15          1H6         A  15  10.455  12.820  10.407
  161   2H6     A  15          2H6         A  15  12.150  12.473  10.381
  162    H2     A  15           H2         A  15   9.362  13.425  14.717
  163   1H5*    G  16          1H5*        G  16  12.733   9.378  19.388
  164   2H5*    G  16          2H5*        G  16  12.424   7.647  19.524
  165    H4*    G  16           H4*        G  16  10.437   8.960  19.431
  166    H3*    G  16           H3*        G  16  10.805   6.955  17.174
  167    H2*    G  16           H2*        G  16   8.617   7.683  16.339
  168   2HO*    G  16          2HO*        G  16   7.206   8.770  17.479
  169    H1*    G  16           H1*        G  16   8.950  10.369  16.769
  170    H8     G  16           H8         G  16  12.244   9.173  15.329
  171    H1     G  16           H1         G  16   7.638  10.201  10.990
  172   1H2     G  16          1H2         G  16   5.650  10.520  12.010
  173   2H2     G  16          2H2         G  16   5.556  10.465  13.722
  174   1H5*    A  17          1H5*        A  17   6.851   6.341  18.458
  175   2H5*    A  17          2H5*        A  17   6.682   4.587  18.545
  176    H4*    A  17           H4*        A  17   4.966   5.570  17.267
  177    H3*    A  17           H3*        A  17   6.815   3.749  15.680
  178    H2*    A  17           H2*        A  17   5.399   4.201  13.738
  179   2HO*    A  17          2HO*        A  17   3.441   4.985  13.842
  180    H1*    A  17           H1*        A  17   4.996   6.880  14.202
  181    H8     A  17           H8         A  17   8.674   6.155  14.806
  182   1H6     A  17          1H6         A  17   9.432   7.070   8.752
  183   2H6     A  17          2H6         A  17  10.229   6.833  10.269
  184    H2     A  17           H2         A  17   5.029   6.973   9.619
  185   1H5*    C  18          1H5*        C  18   2.921   2.493  14.695
  186   2H5*    C  18          2H5*        C  18   3.007   0.746  14.475
  187    H4*    C  18           H4*        C  18   2.138   1.962  12.590
  188    H3*    C  18           H3*        C  18   4.606   0.248  12.113
  189    H2*    C  18           H2*        C  18   4.484   0.924   9.771
  190   2HO*    C  18          2HO*        C  18   2.762   1.781   8.857
  191    H1*    C  18           H1*        C  18   3.770   3.554  10.190
  192   1H4     C  18          1H4         C  18   9.958   4.016   9.047
  193   2H4     C  18          2H4         C  18  10.333   3.565  10.675
  194    H5     C  18           H5         C  18   8.653   2.892  12.287
  195    H6     C  18           H6         C  18   6.250   2.527  12.618
  196   1H5*    U  19          1H5*        U  19   2.157  -0.758   8.910
  197   2H5*    U  19          2H5*        U  19   2.237  -2.518   8.821
  198    H4*    U  19           H4*        U  19   2.750  -1.480   6.760
  199    H3*    U  19           H3*        U  19   5.019  -3.076   7.998
  200    H2*    U  19           H2*        U  19   6.399  -2.474   6.131
  201   2HO*    U  19          2HO*        U  19   5.676  -1.942   4.218
  202    H1*    U  19           H1*        U  19   5.318   0.068   5.641
  203    H3     U  19           H3         U  19   9.678   0.916   6.255
  204    H5     U  19           H5         U  19   8.165   0.333  10.122
  205    H6     U  19           H6         U  19   6.084  -0.357   9.131
  206   1H5*    G  20          1H5*        G  20   4.946  -4.401   3.928
  207   2H5*    G  20          2H5*        G  20   5.192  -6.141   4.067
  208    H4*    G  20           H4*        G  20   6.744  -5.168   2.600
  209    H3*    G  20           H3*        G  20   7.991  -6.317   5.125
  210    H2*    G  20           H2*        G  20  10.154  -5.647   4.259
  211   2HO*    G  20          2HO*        G  20   9.889  -6.424   2.228
  212    H1*    G  20           H1*        G  20   9.361  -3.270   3.065
  213    H8     G  20           H8         G  20   8.206  -3.843   6.718
  214    H1     G  20           H1         G  20  13.649  -0.547   5.931
  215   1H2     G  20          1H2         G  20  14.252  -0.527   3.757
  216   2H2     G  20          2H2         G  20  13.275  -1.330   2.598
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  19.651  -7.551  14.758
    2   2H5*    G   1          2H5*        G   1  19.075  -8.962  13.870
    3    H4*    G   1           H4*        G   1  20.391  -6.536  12.743
    4    H3*    G   1           H3*        G   1  17.754  -6.509  13.379
    5    H2*    G   1           H2*        G   1  17.041  -8.372  11.988
    6   2HO*    G   1          2HO*        G   1  15.923  -6.630  11.271
    7    H1*    G   1           H1*        G   1  18.871  -7.377   9.789
    8    H8     G   1           H8         G   1  18.580 -10.799  11.633
    9    H1     G   1           H1         G   1  17.705 -10.799   5.282
   10   1H2     G   1          1H2         G   1  17.823  -8.696   4.469
   11   2H2     G   1          2H2         G   1  18.116  -7.389   5.539
   12   1H5*    A   2          1H5*        A   2  20.280  -1.730  10.910
   13   2H5*    A   2          2H5*        A   2  18.677  -2.463  10.858
   14    H4*    A   2           H4*        A   2  21.180  -3.473   9.603
   15    H3*    A   2           H3*        A   2  18.895  -1.979   8.333
   16    H2*    A   2           H2*        A   2  19.027  -3.518   6.437
   17   2HO*    A   2          2HO*        A   2  20.642  -4.845   6.075
   18    H1*    A   2           H1*        A   2  19.208  -5.850   7.783
   19    H8     A   2           H8         A   2  16.924  -4.036  10.093
   20   1H6     A   2          1H6         A   2  12.349  -5.454   6.205
   21   2H6     A   2          2H6         A   2  12.750  -4.835   7.770
   22    H2     A   2           H2         A   2  16.248  -6.397   4.191
   23   1H5*    C   3          1H5*        C   3  20.668  -1.835   5.135
   24   2H5*    C   3          2H5*        C   3  20.694  -0.177   4.534
   25    H4*    C   3           H4*        C   3  19.489  -1.569   3.083
   26    H3*    C   3           H3*        C   3  17.772   0.517   4.471
   27    H2*    C   3           H2*        C   3  15.879  -0.369   3.165
   28   2HO*    C   3          2HO*        C   3  16.071  -1.645   1.502
   29    H1*    C   3           H1*        C   3  16.403  -3.012   3.545
   30   1H4     C   3          1H4         C   3  12.359  -1.679   8.222
   31   2H4     C   3          2H4         C   3  13.685  -1.360   9.289
   32    H5     C   3           H5         C   3  15.997  -1.327   8.562
   33    H6     C   3           H6         C   3  17.474  -1.602   6.623
   34   1H5*    A   4          1H5*        A   4  16.839   0.666   0.326
   35   2H5*    A   4          2H5*        A   4  16.530   2.362  -0.047
   36    H4*    A   4           H4*        A   4  14.758   0.884  -0.694
   37    H3*    A   4           H3*        A   4  14.044   3.068   1.295
   38    H2*    A   4           H2*        A   4  11.734   2.219   1.181
   39   2HO*    A   4          2HO*        A   4  11.015   0.920  -0.300
   40    H1*    A   4           H1*        A   4  12.335  -0.434   1.331
   41    H8     A   4           H8         A   4  14.739   1.306   3.697
   42   1H6     A   4          1H6         A   4  10.275   0.824   7.929
   43   2H6     A   4          2H6         A   4  11.930   1.238   7.644
   44    H2     A   4           H2         A   4   8.576  -0.378   3.953
   45   1H5*    G   5          1H5*        G   5  11.024   3.152  -1.587
   46   2H5*    G   5          2H5*        G   5  10.684   4.858  -1.883
   47    H4*    G   5           H4*        G   5   8.740   3.605  -1.324
   48    H3*    G   5           H3*        G   5   9.459   5.840   0.607
   49    H2*    G   5           H2*        G   5   7.418   5.239   1.844
   50   2HO*    G   5          2HO*        G   5   5.876   4.031   1.086
   51    H1*    G   5           H1*        G   5   7.745   2.533   1.757
   52    H8     G   5           H8         G   5  11.218   3.967   2.337
   53    H1     G   5           H1         G   5   7.599   3.402   7.600
   54   1H2     G   5          1H2         G   5   5.470   2.899   7.044
   55   2H2     G   5          2H2         G   5   5.044   2.724   5.392
   56   1H5*    U   6          1H5*        U   6   5.415   6.342  -0.307
   57   2H5*    U   6          2H5*        U   6   5.097   8.073  -0.412
   58    H4*    U   6           H4*        U   6   3.645   6.958   1.102
   59    H3*    U   6           H3*        U   6   5.439   9.078   2.338
   60    H2*    U   6           H2*        U   6   4.311   8.600   4.468
   61   2HO*    U   6          2HO*        U   6   2.506   7.528   4.650
   62    H1*    U   6           H1*        U   6   4.303   5.876   4.253
   63    H3     U   6           H3         U   6   7.312   6.500   7.497
   64    H5     U   6           H5         U   6   9.418   7.345   3.971
   65    H6     U   6           H6         U   6   7.345   7.153   2.766
   66   1H5*    C   7          1H5*        C   7   1.631   9.868   3.842
   67   2H5*    C   7          2H5*        C   7   1.456  11.623   3.840
   68    H4*    C   7           H4*        C   7   1.024  10.636   5.962
   69    H3*    C   7           H3*        C   7   3.356  12.587   5.873
   70    H2*    C   7           H2*        C   7   3.606  12.218   8.272
   71   2HO*    C   7          2HO*        C   7   2.128  11.368   9.518
   72    H1*    C   7           H1*        C   7   3.134   9.504   8.269
   73   1H4     C   7          1H4         C   7   9.436   9.767   8.480
   74   2H4     C   7          2H4         C   7   9.521   9.997   6.766
   75    H5     C   7           H5         C   7   7.563  10.271   5.365
   76    H6     C   7           H6         C   7   5.111  10.376   5.373
   77   1H5*    U   8          1H5*        U   8   1.028  13.790   9.178
   78   2H5*    U   8          2H5*        U   8   1.097  15.552   9.197
   79    H4*    U   8           H4*        U   8   1.773  14.557  11.253
   80    H3*    U   8           H3*        U   8   3.889  16.215   9.830
   81    H2*    U   8           H2*        U   8   5.361  15.744  11.723
   82   2HO*    U   8          2HO*        U   8   4.718  15.080  13.603
   83    H1*    U   8           H1*        U   8   4.666  13.105  12.069
   84    H3     U   8           H3         U   8   8.881  12.662  10.681
   85    H5     U   8           H5         U   8   6.768  13.611   7.187
   86    H6     U   8           H6         U   8   4.818  13.977   8.546
   87   1H5*    C   9          1H5*        C   9   3.655  17.525  13.959
   88   2H5*    C   9          2H5*        C   9   3.657  19.284  13.837
   89    H4*    C   9           H4*        C   9   5.173  18.492  15.473
   90    H3*    C   9           H3*        C   9   6.458  19.960  13.142
   91    H2*    C   9           H2*        C   9   8.604  19.638  14.292
   92   2HO*    C   9          2HO*        C   9   8.792  19.011  16.320
   93    H1*    C   9           H1*        C   9   8.205  17.042  15.055
   94   1H4     C   9          1H4         C   9  11.486  16.435   9.686
   95   2H4     C   9          2H4         C   9  10.018  16.428   8.766
   96    H5     C   9           H5         C   9   7.836  16.821   9.745
   97    H6     C   9           H6         C   9   6.655  17.302  11.840
   98   1H5*    U  10          1H5*        U  10   8.604  21.695  15.824
   99   2H5*    U  10          2H5*        U  10   8.465  23.429  15.537
  100    H4*    U  10           H4*        U  10  10.703  22.786  15.465
  101    H3*    U  10           H3*        U  10   9.643  23.641  12.747
  102    H2*    U  10           H2*        U  10  11.919  23.262  11.893
  103   2HO*    U  10          2HO*        U  10  13.618  22.843  13.195
  104    H1*    U  10           H1*        U  10  12.379  20.896  13.172
  105    H3     U  10           H3         U  10  11.904  19.741   8.852
  106    H5     U  10           H5         U  10   7.995  19.912  10.355
  107    H6     U  10           H6         U  10   8.886  20.855  12.381
  108   1H5*    A  11          1H5*        A  11  12.903  27.971  13.215
  109   2H5*    A  11          2H5*        A  11  13.599  27.235  11.772
  110    H4*    A  11           H4*        A  11  15.272  27.972  13.350
  111    H3*    A  11           H3*        A  11  15.380  25.487  12.083
  112    H2*    A  11           H2*        A  11  15.122  24.107  14.007
  113   2HO*    A  11          2HO*        A  11  17.045  23.711  14.986
  114    H1*    A  11           H1*        A  11  16.448  26.224  15.731
  115    H8     A  11           H8         A  11  13.006  24.424  15.867
  116   1H6     A  11          1H6         A  11  14.789  22.803  21.547
  117   2H6     A  11          2H6         A  11  13.519  22.722  20.373
  118    H2     A  11           H2         A  11  18.111  25.147  19.647
  119   1H5*    C  12          1H5*        C  12  18.123  24.114  11.368
  120   2H5*    C  12          2H5*        C  12  19.158  25.151  10.388
  121    H4*    C  12           H4*        C  12  18.820  22.962   9.433
  122    H3*    C  12           H3*        C  12  18.947  25.156   7.881
  123    H2*    C  12           H2*        C  12  16.551  25.652   7.784
  124   2HO*    C  12          2HO*        C  12  15.803  24.954   5.858
  125    H1*    C  12           H1*        C  12  16.021  22.708   7.329
  126   1H4     C  12          1H4         C  12  10.086  24.591   8.252
  127   2H4     C  12          2H4         C  12  10.448  25.093   9.869
  128    H5     C  12           H5         C  12  12.683  25.040  10.806
  129    H6     C  12           H6         C  12  15.025  24.477  10.331
  130   1H5*    G  13          1H5*        G  13  21.090  20.753   7.921
  131   2H5*    G  13          2H5*        G  13  19.578  21.203   8.711
  132    H4*    G  13           H4*        G  13  22.306  21.270   9.861
  133    H3*    G  13           H3*        G  13  20.119  19.200  10.294
  134    H2*    G  13           H2*        G  13  20.827  19.063  12.606
  135   2HO*    G  13          2HO*        G  13  22.968  18.920  12.280
  136    H1*    G  13           H1*        G  13  21.431  21.750  12.974
  137    H8     G  13           H8         G  13  19.844  21.742  15.039
  138    H1     G  13           H1         G  13  14.829  20.366  11.289
  139   1H2     G  13          1H2         G  13  15.509  19.981   9.171
  140   2H2     G  13          2H2         G  13  17.177  20.080   8.784
  141   1H5*    G  14          1H5*        G  14  22.238  16.643  11.327
  142   2H5*    G  14          2H5*        G  14  21.613  15.068  10.834
  143    H4*    G  14           H4*        G  14  21.075  16.117  13.116
  144    H3*    G  14           H3*        G  14  19.145  14.449  11.470
  145    H2*    G  14           H2*        G  14  17.489  14.850  13.249
  146   2HO*    G  14          2HO*        G  14  17.946  15.516  15.163
  147    H1*    G  14           H1*        G  14  17.960  17.510  13.570
  148    H8     G  14           H8         G  14  18.253  16.998   9.832
  149    H1     G  14           H1         G  14  12.241  17.428  12.014
  150   1H2     G  14          1H2         G  14  12.209  17.328  14.269
  151   2H2     G  14          2H2         G  14  13.683  17.161  15.130
  152   1H5*    A  15          1H5*        A  15  17.492  10.900  14.798
  153   2H5*    A  15          2H5*        A  15  16.685  11.816  13.525
  154    H4*    A  15           H4*        A  15  16.803  12.522  16.426
  155    H3*    A  15           H3*        A  15  14.785  10.864  15.080
  156    H2*    A  15           H2*        A  15  12.980  12.310  15.581
  157   2HO*    A  15          2HO*        A  15  14.698  13.556  17.392
  158    H1*    A  15           H1*        A  15  13.924  14.794  15.120
  159    H8     A  15           H8         A  15  15.904  13.613  12.412
  160   1H6     A  15          1H6         A  15  10.755  12.793   9.112
  161   2H6     A  15          2H6         A  15  12.481  12.907   9.058
  162    H2     A  15           H2         A  15   9.598  13.306  13.419
  163   1H5*    G  16          1H5*        G  16  13.073  10.303  18.639
  164   2H5*    G  16          2H5*        G  16  12.838   8.580  18.930
  165    H4*    G  16           H4*        G  16  10.790   9.761  18.756
  166    H3*    G  16           H3*        G  16  11.245   7.648  16.620
  167    H2*    G  16           H2*        G  16   9.006   8.217  15.774
  168   2HO*    G  16          2HO*        G  16   7.576   9.336  16.841
  169    H1*    G  16           H1*        G  16   9.249  10.929  15.950
  170    H8     G  16           H8         G  16  12.651  10.000  14.693
  171    H1     G  16           H1         G  16   8.074   9.757  10.211
  172   1H2     G  16          1H2         G  16   6.030   9.888  11.160
  173   2H2     G  16          2H2         G  16   5.895  10.031  12.864
  174   1H5*    A  17          1H5*        A  17   7.378   7.079  18.223
  175   2H5*    A  17          2H5*        A  17   7.139   5.338  18.367
  176    H4*    A  17           H4*        A  17   5.370   6.475  17.218
  177    H3*    A  17           H3*        A  17   6.833   4.315  15.659
  178    H2*    A  17           H2*        A  17   5.266   4.766  13.821
  179   2HO*    A  17          2HO*        A  17   3.466   5.828  14.021
  180    H1*    A  17           H1*        A  17   5.318   7.495  13.982
  181    H8     A  17           H8         A  17   8.902   6.423  14.520
  182   1H6     A  17          1H6         A  17   9.393   6.305   8.371
  183   2H6     A  17          2H6         A  17  10.249   6.215   9.872
  184    H2     A  17           H2         A  17   5.063   6.837   9.424
  185   1H5*    C  18          1H5*        C  18   2.778   3.546  15.125
  186   2H5*    C  18          2H5*        C  18   2.568   1.795  15.176
  187    H4*    C  18           H4*        C  18   1.664   2.805  13.212
  188    H3*    C  18           H3*        C  18   3.876   0.769  12.762
  189    H2*    C  18           H2*        C  18   3.544   1.131  10.358
  190   2HO*    C  18          2HO*        C  18   1.864   2.111   9.515
  191    H1*    C  18           H1*        C  18   3.299   3.856  10.445
  192   1H4     C  18          1H4         C  18   9.402   3.168   9.010
  193   2H4     C  18          2H4         C  18   9.806   2.907  10.674
  194    H5     C  18           H5         C  18   8.146   2.750  12.433
  195    H6     C  18           H6         C  18   5.739   2.819  12.908
  196   1H5*    U  19          1H5*        U  19   1.010  -0.318  10.002
  197   2H5*    U  19          2H5*        U  19   0.818  -2.061  10.185
  198    H4*    U  19           H4*        U  19   1.199  -1.495   7.947
  199    H3*    U  19           H3*        U  19   3.478  -3.081   9.190
  200    H2*    U  19           H2*        U  19   4.562  -3.013   7.004
  201   2HO*    U  19          2HO*        U  19   3.587  -2.581   5.195
  202    H1*    U  19           H1*        U  19   3.919  -0.412   6.365
  203    H3     U  19           H3         U  19   8.370  -0.214   6.801
  204    H5     U  19           H5         U  19   6.941  -0.180  10.743
  205    H6     U  19           H6         U  19   4.738  -0.605   9.876
  206   1H5*    G  20          1H5*        G  20   2.528  -4.976   5.510
  207   2H5*    G  20          2H5*        G  20   2.652  -6.707   5.820
  208    H4*    G  20           H4*        G  20   3.924  -6.048   3.942
  209    H3*    G  20           H3*        G  20   5.562  -7.138   6.260
  210    H2*    G  20           H2*        G  20   7.537  -6.844   4.829
  211   2HO*    G  20          2HO*        G  20   6.652  -7.604   2.972
  212    H1*    G  20           H1*        G  20   6.880  -4.387   3.827
  213    H8     G  20           H8         G  20   6.064  -4.701   7.588
  214    H1     G  20           H1         G  20  11.902  -2.485   6.133
  215   1H2     G  20          1H2         G  20  12.267  -2.625   3.910
  216   2H2     G  20          2H2         G  20  11.046  -3.260   2.887
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  23.611  -2.646  13.250
    2   2H5*    G   1          2H5*        G   1  23.460  -4.403  13.259
    3    H4*    G   1           H4*        G   1  22.461  -2.518  11.173
    4    H3*    G   1           H3*        G   1  21.094  -3.249  13.540
    5    H2*    G   1           H2*        G   1  20.232  -5.322  12.794
    6   2HO*    G   1          2HO*        G   1  18.416  -5.106  11.575
    7    H1*    G   1           H1*        G   1  20.408  -4.430   9.902
    8    H8     G   1           H8         G   1  22.588  -7.273  11.173
    9    H1     G   1           H1         G   1  17.265  -9.033   8.061
   10   1H2     G   1          1H2         G   1  15.932  -7.247   7.705
   11   2H2     G   1          2H2         G   1  16.424  -5.698   8.254
   12   1H5*    A   2          1H5*        A   2  21.499   1.413  10.168
   13   2H5*    A   2          2H5*        A   2  20.013   0.528  10.511
   14    H4*    A   2           H4*        A   2  22.400  -0.455   9.035
   15    H3*    A   2           H3*        A   2  19.799   0.595   7.919
   16    H2*    A   2           H2*        A   2  19.886  -1.216   6.254
   17   2HO*    A   2          2HO*        A   2  21.955  -1.187   5.715
   18    H1*    A   2           H1*        A   2  20.518  -3.247   7.909
   19    H8     A   2           H8         A   2  18.285  -1.239  10.141
   20   1H6     A   2          1H6         A   2  13.536  -3.919   7.255
   21   2H6     A   2          2H6         A   2  14.021  -2.942   8.598
   22    H2     A   2           H2         A   2  17.282  -4.862   4.970
   23   1H5*    C   3          1H5*        C   3  21.642   0.976   4.469
   24   2H5*    C   3          2H5*        C   3  21.223   2.526   3.742
   25    H4*    C   3           H4*        C   3  20.430   0.699   2.466
   26    H3*    C   3           H3*        C   3  18.256   2.480   3.623
   27    H2*    C   3           H2*        C   3  16.642   1.029   2.449
   28   2HO*    C   3          2HO*        C   3  18.803  -0.287   1.266
   29    H1*    C   3           H1*        C   3  17.769  -1.353   3.118
   30   1H4     C   3          1H4         C   3  13.423  -0.537   7.635
   31   2H4     C   3          2H4         C   3  14.593   0.252   8.638
   32    H5     C   3           H5         C   3  16.835   0.792   7.892
   33    H6     C   3           H6         C   3  18.382   0.663   5.992
   34   1H5*    A   4          1H5*        A   4  17.042   1.987  -0.279
   35   2H5*    A   4          2H5*        A   4  16.669   3.610  -0.859
   36    H4*    A   4           H4*        A   4  14.881   2.164  -1.268
   37    H3*    A   4           H3*        A   4  14.237   4.291   0.807
   38    H2*    A   4           H2*        A   4  11.974   3.345   0.889
   39   2HO*    A   4          2HO*        A   4  11.156   2.088  -0.587
   40    H1*    A   4           H1*        A   4  12.692   0.704   0.830
   41    H8     A   4           H8         A   4  15.138   2.361   3.189
   42   1H6     A   4          1H6         A   4  10.865   1.575   7.569
   43   2H6     A   4          2H6         A   4  12.503   2.027   7.239
   44    H2     A   4           H2         A   4   9.011   0.584   3.605
   45   1H5*    G   5          1H5*        G   5  11.013   4.322  -1.853
   46   2H5*    G   5          2H5*        G   5  10.583   6.016  -2.084
   47    H4*    G   5           H4*        G   5   8.746   4.658  -1.412
   48    H3*    G   5           H3*        G   5   9.495   6.901   0.500
   49    H2*    G   5           H2*        G   5   7.603   6.194   1.882
   50   2HO*    G   5          2HO*        G   5   6.023   4.950   1.199
   51    H1*    G   5           H1*        G   5   7.950   3.484   1.606
   52    H8     G   5           H8         G   5  11.388   4.993   2.218
   53    H1     G   5           H1         G   5   7.900   3.968   7.498
   54   1H2     G   5          1H2         G   5   5.777   3.431   6.950
   55   2H2     G   5          2H2         G   5   5.322   3.349   5.298
   56   1H5*    U   6          1H5*        U   6   5.339   7.254  -0.195
   57   2H5*    U   6          2H5*        U   6   4.950   8.973  -0.162
   58    H4*    U   6           H4*        U   6   3.666   7.637   1.360
   59    H3*    U   6           H3*        U   6   5.340   9.867   2.581
   60    H2*    U   6           H2*        U   6   4.419   9.215   4.748
   61   2HO*    U   6          2HO*        U   6   2.616   7.598   3.349
   62    H1*    U   6           H1*        U   6   4.473   6.488   4.360
   63    H3     U   6           H3         U   6   7.449   7.003   7.655
   64    H5     U   6           H5         U   6   9.518   8.202   4.211
   65    H6     U   6           H6         U   6   7.456   8.009   2.987
   66   1H5*    C   7          1H5*        C   7   1.486  10.294   4.268
   67   2H5*    C   7          2H5*        C   7   1.226  12.032   4.420
   68    H4*    C   7           H4*        C   7   0.948  10.831   6.465
   69    H3*    C   7           H3*        C   7   3.126  12.956   6.446
   70    H2*    C   7           H2*        C   7   3.522  12.408   8.791
   71   2HO*    C   7          2HO*        C   7   2.149  11.342  10.022
   72    H1*    C   7           H1*        C   7   3.207   9.677   8.587
   73   1H4     C   7          1H4         C   7   9.485  10.248   8.640
   74   2H4     C   7          2H4         C   7   9.503  10.739   6.980
   75    H5     C   7           H5         C   7   7.488  11.101   5.681
   76    H6     C   7           H6         C   7   5.036  11.049   5.761
   77   1H5*    U   8          1H5*        U   8   0.883  13.641   9.986
   78   2H5*    U   8          2H5*        U   8   0.685  15.392  10.046
   79    H4*    U   8           H4*        U   8   1.525  14.565  12.071
   80    H3*    U   8           H3*        U   8   3.498  16.327  10.567
   81    H2*    U   8           H2*        U   8   5.031  16.015  12.445
   82   2HO*    U   8          2HO*        U   8   2.880  14.881  13.827
   83    H1*    U   8           H1*        U   8   4.498  13.354  12.909
   84    H3     U   8           H3         U   8   8.720  13.038  11.537
   85    H5     U   8           H5         U   8   6.600  13.888   8.020
   86    H6     U   8           H6         U   8   4.625  14.183   9.363
   87   1H5*    C   9          1H5*        C   9   3.379  18.185  14.442
   88   2H5*    C   9          2H5*        C   9   3.355  19.908  14.064
   89    H4*    C   9           H4*        C   9   5.076  19.391  15.567
   90    H3*    C   9           H3*        C   9   6.067  20.331  12.851
   91    H2*    C   9           H2*        C   9   8.327  20.090  13.670
   92   2HO*    C   9          2HO*        C   9   8.867  20.068  15.729
   93    H1*    C   9           H1*        C   9   7.916  17.853  15.279
   94   1H4     C   9          1H4         C   9  10.993  15.378  10.367
   95   2H4     C   9          2H4         C   9   9.585  15.487   9.364
   96    H5     C   9           H5         C   9   7.511  16.507  10.094
   97    H6     C   9           H6         C   9   6.403  17.632  11.973
   98   1H5*    U  10          1H5*        U  10   8.496  22.574  15.362
   99   2H5*    U  10          2H5*        U  10   8.514  24.172  14.614
  100    H4*    U  10           H4*        U  10  10.688  23.317  14.866
  101    H3*    U  10           H3*        U  10   9.822  23.644  11.970
  102    H2*    U  10           H2*        U  10  12.066  22.871  11.343
  103   2HO*    U  10          2HO*        U  10  13.686  22.638  12.808
  104    H1*    U  10           H1*        U  10  12.279  20.867  13.195
  105    H3     U  10           H3         U  10  11.908  18.225   9.664
  106    H5     U  10           H5         U  10   8.129  20.024   9.897
  107    H6     U  10           H6         U  10   8.955  21.368  11.713
  108   1H5*    A  11          1H5*        A  11  13.152  27.721  11.068
  109   2H5*    A  11          2H5*        A  11  13.678  26.468   9.944
  110    H4*    A  11           H4*        A  11  15.542  27.580  10.941
  111    H3*    A  11           H3*        A  11  15.431  24.820  10.794
  112    H2*    A  11           H2*        A  11  15.139  24.358  13.135
  113   2HO*    A  11          2HO*        A  11  17.144  23.587  12.697
  114    H1*    A  11           H1*        A  11  16.830  26.781  13.818
  115    H8     A  11           H8         A  11  13.673  24.808  14.849
  116   1H6     A  11          1H6         A  11  14.867  26.986  20.498
  117   2H6     A  11          2H6         A  11  13.856  25.945  19.555
  118    H2     A  11           H2         A  11  17.791  28.829  17.635
  119   1H5*    C  12          1H5*        C  12  18.000  22.992  10.363
  120   2H5*    C  12          2H5*        C  12  19.006  23.599   9.047
  121    H4*    C  12           H4*        C  12  18.431  21.269   8.811
  122    H3*    C  12           H3*        C  12  18.547  22.907   6.675
  123    H2*    C  12           H2*        C  12  16.179  23.542   6.595
  124   2HO*    C  12          2HO*        C  12  15.204  22.258   5.049
  125    H1*    C  12           H1*        C  12  15.449  20.651   7.091
  126   1H4     C  12          1H4         C  12   9.718  23.116   7.862
  127   2H4     C  12          2H4         C  12  10.278  24.178   9.109
  128    H5     C  12           H5         C  12  12.605  24.334   9.773
  129    H6     C  12           H6         C  12  14.859  23.471   9.336
  130   1H5*    G  13          1H5*        G  13  20.558  18.606   7.863
  131   2H5*    G  13          2H5*        G  13  19.121  19.333   8.583
  132    H4*    G  13           H4*        G  13  21.930  19.678   9.449
  133    H3*    G  13           H3*        G  13  19.813  17.848  10.613
  134    H2*    G  13           H2*        G  13  20.483  18.449  12.809
  135   2HO*    G  13          2HO*        G  13  22.585  18.000  12.643
  136    H1*    G  13           H1*        G  13  21.467  21.045  12.240
  137    H8     G  13           H8         G  13  20.272  22.005  14.332
  138    H1     G  13           H1         G  13  14.605  19.884  12.213
  139   1H2     G  13          1H2         G  13  14.871  18.672  10.328
  140   2H2     G  13          2H2         G  13  16.443  18.444   9.681
  141   1H5*    G  14          1H5*        G  14  21.847  15.774  12.302
  142   2H5*    G  14          2H5*        G  14  21.328  14.090  12.221
  143    H4*    G  14           H4*        G  14  20.634  15.593  14.150
  144    H3*    G  14           H3*        G  14  18.788  13.582  12.825
  145    H2*    G  14           H2*        G  14  17.038  14.356  14.383
  146   2HO*    G  14          2HO*        G  14  17.416  15.539  16.101
  147    H1*    G  14           H1*        G  14  17.485  17.018  14.123
  148    H8     G  14           H8         G  14  18.008  15.780  10.602
  149    H1     G  14           H1         G  14  11.858  16.345  12.327
  150   1H2     G  14          1H2         G  14  11.689  16.678  14.553
  151   2H2     G  14          2H2         G  14  13.111  16.749  15.509
  152   1H5*    A  15          1H5*        A  15  18.122  13.210  16.901
  153   2H5*    A  15          2H5*        A  15  17.983  11.484  17.239
  154    H4*    A  15           H4*        A  15  16.143  12.808  18.029
  155    H3*    A  15           H3*        A  15  15.486  10.589  16.054
  156    H2*    A  15           H2*        A  15  13.140  11.223  16.295
  157   2HO*    A  15          2HO*        A  15  12.363  12.313  17.911
  158    H1*    A  15           H1*        A  15  13.510  13.953  16.379
  159    H8     A  15           H8         A  15  15.669  12.760  13.534
  160   1H6     A  15          1H6         A  15  10.579  12.945  10.051
  161   2H6     A  15          2H6         A  15  12.300  12.763  10.052
  162    H2     A  15           H2         A  15   9.369  13.502  14.336
  163   1H5*    G  16          1H5*        G  16  12.823  10.040  19.193
  164   2H5*    G  16          2H5*        G  16  12.606   8.304  19.415
  165    H4*    G  16           H4*        G  16  10.577   9.539  19.042
  166    H3*    G  16           H3*        G  16  11.220   7.301  17.088
  167    H2*    G  16           H2*        G  16   9.161   7.816  15.932
  168   2HO*    G  16          2HO*        G  16   7.520   8.851  16.798
  169    H1*    G  16           H1*        G  16   9.199  10.577  16.291
  170    H8     G  16           H8         G  16  12.585   9.606  14.921
  171    H1     G  16           H1         G  16   7.954  10.050  10.508
  172   1H2     G  16          1H2         G  16   5.934  10.227  11.498
  173   2H2     G  16          2H2         G  16   5.826  10.229  13.210
  174   1H5*    A  17          1H5*        A  17   7.142   6.673  18.400
  175   2H5*    A  17          2H5*        A  17   6.999   4.922  18.550
  176    H4*    A  17           H4*        A  17   5.285   5.904  17.221
  177    H3*    A  17           H3*        A  17   7.074   3.899  15.795
  178    H2*    A  17           H2*        A  17   5.705   4.247  13.810
  179   2HO*    A  17          2HO*        A  17   3.758   5.114  13.833
  180    H1*    A  17           H1*        A  17   5.319   6.967  14.103
  181    H8     A  17           H8         A  17   8.997   6.142  14.651
  182   1H6     A  17          1H6         A  17   9.617   6.826   8.551
  183   2H6     A  17          2H6         A  17  10.447   6.606  10.054
  184    H2     A  17           H2         A  17   5.240   6.934   9.540
  185   1H5*    C  18          1H5*        C  18   3.054   2.758  15.003
  186   2H5*    C  18          2H5*        C  18   3.043   0.997  14.907
  187    H4*    C  18           H4*        C  18   2.129   2.108  12.985
  188    H3*    C  18           H3*        C  18   4.508   0.272  12.506
  189    H2*    C  18           H2*        C  18   4.301   0.796  10.136
  190   2HO*    C  18          2HO*        C  18   2.560   1.599   9.233
  191    H1*    C  18           H1*        C  18   3.658   3.469  10.404
  192   1H4     C  18          1H4         C  18   9.763   3.803   8.879
  193   2H4     C  18          2H4         C  18  10.243   3.285  10.460
  194    H5     C  18           H5         C  18   8.663   2.627  12.177
  195    H6     C  18           H6         C  18   6.278   2.342  12.681
  196   1H5*    U  19          1H5*        U  19   1.608  -0.850   9.650
  197   2H5*    U  19          2H5*        U  19   1.706  -2.605   9.522
  198    H4*    U  19           H4*        U  19   1.917  -1.508   7.429
  199    H3*    U  19           H3*        U  19   4.345  -3.120   8.302
  200    H2*    U  19           H2*        U  19   5.396  -2.495   6.202
  201   2HO*    U  19          2HO*        U  19   4.354  -1.847   4.487
  202    H1*    U  19           H1*        U  19   4.430   0.095   6.058
  203    H3     U  19           H3         U  19   8.766   1.004   6.409
  204    H5     U  19           H5         U  19   7.761  -0.437  10.216
  205    H6     U  19           H6         U  19   5.566  -0.944   9.370
  206   1H5*    G  20          1H5*        G  20   3.780  -4.366   4.394
  207   2H5*    G  20          2H5*        G  20   4.031  -6.111   4.402
  208    H4*    G  20           H4*        G  20   5.411  -4.996   2.837
  209    H3*    G  20           H3*        G  20   6.893  -6.434   5.068
  210    H2*    G  20           H2*        G  20   8.966  -5.705   4.075
  211   2HO*    G  20          2HO*        G  20   9.183  -5.101   2.037
  212    H1*    G  20           H1*        G  20   8.096  -3.224   3.139
  213    H8     G  20           H8         G  20   7.244  -3.695   6.838
  214    H1     G  20           H1         G  20  13.113  -1.409   5.632
  215   1H2     G  20          1H2         G  20  13.563  -1.515   3.423
  216   2H2     G  20          2H2         G  20  12.385  -2.146   2.347
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  22.468  -4.291  11.547
    2   2H5*    G   1          2H5*        G   1  22.356  -5.883  12.299
    3    H4*    G   1           H4*        G   1  20.324  -4.551  10.596
    4    H3*    G   1           H3*        G   1  20.524  -4.612  13.566
    5    H2*    G   1           H2*        G   1  18.495  -5.652  13.890
    6   2HO*    G   1          2HO*        G   1  17.408  -3.846  13.319
    7    H1*    G   1           H1*        G   1  17.910  -6.182  11.048
    8    H8     G   1           H8         G   1  16.700  -7.285  13.868
    9    H1     G   1           H1         G   1  19.618 -12.384  11.301
   10   1H2     G   1          1H2         G   1  21.098 -11.735   9.725
   11   2H2     G   1          2H2         G   1  21.296 -10.066   9.383
   12   1H5*    A   2          1H5*        A   2  21.059  -0.305  10.081
   13   2H5*    A   2          2H5*        A   2  19.601  -1.284  10.237
   14    H4*    A   2           H4*        A   2  21.919  -1.873   8.467
   15    H3*    A   2           H3*        A   2  19.438  -0.326   7.753
   16    H2*    A   2           H2*        A   2  19.328  -1.594   5.661
   17   2HO*    A   2          2HO*        A   2  21.814  -2.685   6.327
   18    H1*    A   2           H1*        A   2  19.763  -4.071   6.629
   19    H8     A   2           H8         A   2  17.785  -2.477   9.405
   20   1H6     A   2          1H6         A   2  12.750  -3.978   6.172
   21   2H6     A   2          2H6         A   2  13.351  -3.388   7.684
   22    H2     A   2           H2         A   2  16.346  -4.690   3.583
   23   1H5*    C   3          1H5*        C   3  21.111   0.043   4.305
   24   2H5*    C   3          2H5*        C   3  21.062   1.737   3.816
   25    H4*    C   3           H4*        C   3  19.969   0.387   2.246
   26    H3*    C   3           H3*        C   3  18.099   2.273   3.727
   27    H2*    C   3           H2*        C   3  16.297   1.382   2.308
   28   2HO*    C   3          2HO*        C   3  16.611   0.274   0.541
   29    H1*    C   3           H1*        C   3  16.997  -1.249   2.467
   30   1H4     C   3          1H4         C   3  12.659  -0.737   7.026
   31   2H4     C   3          2H4         C   3  13.868  -0.235   8.160
   32    H5     C   3           H5         C   3  16.175   0.181   7.543
   33    H6     C   3           H6         C   3  17.763   0.184   5.673
   34   1H5*    A   4          1H5*        A   4  17.183   2.761  -0.364
   35   2H5*    A   4          2H5*        A   4  16.886   4.486  -0.583
   36    H4*    A   4           H4*        A   4  15.096   3.162  -1.382
   37    H3*    A   4           H3*        A   4  14.392   4.983   0.947
   38    H2*    A   4           H2*        A   4  12.086   4.144   0.725
   39   2HO*    A   4          2HO*        A   4  11.355   3.110  -0.957
   40    H1*    A   4           H1*        A   4  12.705   1.511   0.404
   41    H8     A   4           H8         A   4  15.075   2.929   3.028
   42   1H6     A   4          1H6         A   4  10.691   1.506   7.127
   43   2H6     A   4          2H6         A   4  12.319   2.050   6.912
   44    H2     A   4           H2         A   4   9.015   0.897   3.009
   45   1H5*    G   5          1H5*        G   5  11.336   5.526  -1.830
   46   2H5*    G   5          2H5*        G   5  10.967   7.250  -1.824
   47    H4*    G   5           H4*        G   5   9.059   5.878  -1.442
   48    H3*    G   5           H3*        G   5   9.786   7.784   0.814
   49    H2*    G   5           H2*        G   5   7.799   6.950   1.988
   50   2HO*    G   5          2HO*        G   5   6.228   5.885   1.067
   51    H1*    G   5           H1*        G   5   8.115   4.300   1.380
   52    H8     G   5           H8         G   5  11.579   5.599   2.247
   53    H1     G   5           H1         G   5   7.921   4.079   7.289
   54   1H2     G   5          1H2         G   5   5.796   3.694   6.634
   55   2H2     G   5          2H2         G   5   5.381   3.829   4.976
   56   1H5*    U   6          1H5*        U   6   5.701   8.367   0.043
   57   2H5*    U   6          2H5*        U   6   5.362  10.085   0.249
   58    H4*    U   6           H4*        U   6   3.950   8.686   1.558
   59    H3*    U   6           H3*        U   6   5.717  10.604   3.121
   60    H2*    U   6           H2*        U   6   4.640   9.741   5.151
   61   2HO*    U   6          2HO*        U   6   2.835   8.648   5.171
   62    H1*    U   6           H1*        U   6   4.625   7.096   4.446
   63    H3     U   6           H3         U   6   7.612   7.072   7.761
   64    H5     U   6           H5         U   6   9.725   8.665   4.509
   65    H6     U   6           H6         U   6   7.663   8.690   3.269
   66   1H5*    C   7          1H5*        C   7   1.867  11.072   4.728
   67   2H5*    C   7          2H5*        C   7   1.681  12.794   5.061
   68    H4*    C   7           H4*        C   7   1.251  11.413   6.953
   69    H3*    C   7           H3*        C   7   3.561  13.371   7.246
   70    H2*    C   7           H2*        C   7   3.814  12.549   9.533
   71   2HO*    C   7          2HO*        C   7   2.332  11.469  10.589
   72    H1*    C   7           H1*        C   7   3.370   9.884   9.010
   73   1H4     C   7          1H4         C   7   9.667  10.136   9.284
   74   2H4     C   7          2H4         C   7   9.755  10.741   7.665
   75    H5     C   7           H5         C   7   7.799  11.301   6.348
   76    H6     C   7           H6         C   7   5.346  11.376   6.365
   77   1H5*    U   8          1H5*        U   8   1.262  13.864  10.710
   78   2H5*    U   8          2H5*        U   8   1.255  15.594  11.051
   79    H4*    U   8           H4*        U   8   1.985  14.290  12.895
   80    H3*    U   8           H3*        U   8   4.049  16.225  11.776
   81    H2*    U   8           H2*        U   8   5.547  15.473  13.550
   82   2HO*    U   8          2HO*        U   8   4.918  14.437  15.293
   83    H1*    U   8           H1*        U   8   4.888  12.798  13.472
   84    H3     U   8           H3         U   8   9.137  12.687  12.104
   85    H5     U   8           H5         U   8   7.030  14.075   8.755
   86    H6     U   8           H6         U   8   5.058  14.189  10.127
   87   1H5*    C   9          1H5*        C   9   3.683  18.546  15.298
   88   2H5*    C   9          2H5*        C   9   3.458  20.187  14.694
   89    H4*    C   9           H4*        C   9   5.394  20.045  15.986
   90    H3*    C   9           H3*        C   9   5.913  20.582  13.054
   91    H2*    C   9           H2*        C   9   8.241  20.441  13.396
   92   2HO*    C   9          2HO*        C   9   9.236  20.965  15.212
   93    H1*    C   9           H1*        C   9   8.220  18.774  15.712
   94   1H4     C   9          1H4         C   9  11.286  15.100  11.630
   95   2H4     C   9          2H4         C   9   9.912  15.004  10.581
   96    H5     C   9           H5         C   9   7.842  16.199  10.991
   97    H6     C   9           H6         C   9   6.707  17.738  12.528
   98   1H5*    U  10          1H5*        U  10   8.532  23.456  14.660
   99   2H5*    U  10          2H5*        U  10   8.352  24.812  13.546
  100    H4*    U  10           H4*        U  10  10.573  24.003  13.634
  101    H3*    U  10           H3*        U  10   9.214  23.714  10.927
  102    H2*    U  10           H2*        U  10  11.321  22.790  10.100
  103   2HO*    U  10          2HO*        U  10  12.558  23.398  12.520
  104    H1*    U  10           H1*        U  10  11.940  21.270  12.308
  105    H3     U  10           H3         U  10  11.073  17.691   9.892
  106    H5     U  10           H5         U  10   7.473  19.829   9.665
  107    H6     U  10           H6         U  10   8.501  21.566  10.973
  108   1H5*    A  11          1H5*        A  11  12.522  27.483   8.724
  109   2H5*    A  11          2H5*        A  11  12.817  25.933   7.936
  110    H4*    A  11           H4*        A  11  14.853  27.104   8.269
  111    H3*    A  11           H3*        A  11  14.703  24.462   8.881
  112    H2*    A  11           H2*        A  11  14.407  24.680  11.288
  113   2HO*    A  11          2HO*        A  11  16.260  24.241  12.219
  114    H1*    A  11           H1*        A  11  16.434  26.929  11.292
  115    H8     A  11           H8         A  11  12.888  26.133  12.679
  116   1H6     A  11          1H6         A  11  14.997  28.759  17.848
  117   2H6     A  11          2H6         A  11  13.657  27.962  17.098
  118    H2     A  11           H2         A  11  18.226  28.984  14.740
  119   1H5*    C  12          1H5*        C  12  17.296  22.835   9.409
  120   2H5*    C  12          2H5*        C  12  18.337  22.567   8.011
  121    H4*    C  12           H4*        C  12  17.624  20.520   9.077
  122    H3*    C  12           H3*        C  12  17.820  20.736   6.384
  123    H2*    C  12           H2*        C  12  15.477  21.221   5.902
  124   2HO*    C  12          2HO*        C  12  14.480  19.299   5.352
  125    H1*    C  12           H1*        C  12  14.675  19.142   7.949
  126   1H4     C  12          1H4         C  12   8.976  21.622   7.032
  127   2H4     C  12          2H4         C  12   9.536  23.208   7.439
  128    H5     C  12           H5         C  12  11.855  23.712   7.933
  129    H6     C  12           H6         C  12  14.102  22.744   8.126
  130   1H5*    G  13          1H5*        G  13  20.854  20.589   8.601
  131   2H5*    G  13          2H5*        G  13  21.513  18.953   8.643
  132    H4*    G  13           H4*        G  13  22.037  19.891  10.640
  133    H3*    G  13           H3*        G  13  19.771  17.943  10.950
  134    H2*    G  13           H2*        G  13  19.288  18.642  13.111
  135   2HO*    G  13          2HO*        G  13  21.031  18.121  14.132
  136    H1*    G  13           H1*        G  13  20.738  21.156  13.054
  137    H8     G  13           H8         G  13  19.132  22.753  14.270
  138    H1     G  13           H1         G  13  14.030  19.870  11.671
  139   1H2     G  13          1H2         G  13  14.681  18.218  10.278
  140   2H2     G  13          2H2         G  13  16.353  17.905  10.057
  141   1H5*    G  14          1H5*        G  14  21.949  15.997  13.672
  142   2H5*    G  14          2H5*        G  14  21.726  14.264  13.434
  143    H4*    G  14           H4*        G  14  20.710  15.320  15.441
  144    H3*    G  14           H3*        G  14  19.114  13.459  13.660
  145    H2*    G  14           H2*        G  14  17.204  13.844  15.170
  146   2HO*    G  14          2HO*        G  14  18.912  15.300  16.830
  147    H1*    G  14           H1*        G  14  17.449  16.533  15.384
  148    H8     G  14           H8         G  14  18.333  15.476  11.796
  149    H1     G  14           H1         G  14  12.128  16.626  12.930
  150   1H2     G  14          1H2         G  14  11.772  16.935  15.137
  151   2H2     G  14          2H2         G  14  13.092  16.843  16.229
  152   1H5*    A  15          1H5*        A  15  18.382  12.380  17.661
  153   2H5*    A  15          2H5*        A  15  18.290  10.619  17.720
  154    H4*    A  15           H4*        A  15  16.410  11.748  18.698
  155    H3*    A  15           H3*        A  15  15.825   9.852  16.394
  156    H2*    A  15           H2*        A  15  13.455  10.372  16.726
  157   2HO*    A  15          2HO*        A  15  12.657  11.234  18.472
  158    H1*    A  15           H1*        A  15  13.741  13.066  17.170
  159    H8     A  15           H8         A  15  16.020  12.319  14.262
  160   1H6     A  15          1H6         A  15  11.032  12.857  10.671
  161   2H6     A  15          2H6         A  15  12.756  12.714  10.705
  162    H2     A  15           H2         A  15   9.684  12.813  14.952
  163   1H5*    G  16          1H5*        G  16  13.187   8.819  19.521
  164   2H5*    G  16          2H5*        G  16  12.997   7.066  19.479
  165    H4*    G  16           H4*        G  16  10.936   8.302  19.399
  166    H3*    G  16           H3*        G  16  11.507   6.421  17.078
  167    H2*    G  16           H2*        G  16   9.327   7.065  16.174
  168   2HO*    G  16          2HO*        G  16   7.801   8.018  17.296
  169    H1*    G  16           H1*        G  16   9.467   9.744  16.777
  170    H8     G  16           H8         G  16  12.862   8.875  15.358
  171    H1     G  16           H1         G  16   8.287   9.782  10.960
  172   1H2     G  16          1H2         G  16   6.257   9.888  11.941
  173   2H2     G  16          2H2         G  16   6.130   9.731  13.644
  174   1H5*    A  17          1H5*        A  17   7.543   5.625  18.476
  175   2H5*    A  17          2H5*        A  17   7.314   3.884  18.312
  176    H4*    A  17           H4*        A  17   5.611   5.229  17.271
  177    H3*    A  17           H3*        A  17   7.136   3.299  15.481
  178    H2*    A  17           H2*        A  17   5.702   4.049  13.649
  179   2HO*    A  17          2HO*        A  17   3.865   5.060  13.905
  180    H1*    A  17           H1*        A  17   5.653   6.723  14.301
  181    H8     A  17           H8         A  17   9.244   5.551  14.638
  182   1H6     A  17          1H6         A  17   9.776   6.728   8.605
  183   2H6     A  17          2H6         A  17  10.621   6.315  10.057
  184    H2     A  17           H2         A  17   5.443   7.066   9.726
  185   1H5*    C  18          1H5*        C  18   3.039   2.672  14.696
  186   2H5*    C  18          2H5*        C  18   2.843   0.946  14.392
  187    H4*    C  18           H4*        C  18   2.011   2.372  12.645
  188    H3*    C  18           H3*        C  18   4.167   0.368  11.875
  189    H2*    C  18           H2*        C  18   3.949   1.190   9.584
  190   2HO*    C  18          2HO*        C  18   2.302   2.316   8.868
  191    H1*    C  18           H1*        C  18   3.683   3.862  10.185
  192   1H4     C  18          1H4         C  18   9.775   3.468   8.594
  193   2H4     C  18          2H4         C  18  10.190   2.871  10.165
  194    H5     C  18           H5         C  18   8.541   2.362  11.869
  195    H6     C  18           H6         C  18   6.139   2.339  12.366
  196   1H5*    U  19          1H5*        U  19   1.231  -0.031   8.940
  197   2H5*    U  19          2H5*        U  19   1.082  -1.761   8.635
  198    H4*    U  19           H4*        U  19   1.481  -0.493   6.666
  199    H3*    U  19           H3*        U  19   3.623  -2.534   7.367
  200    H2*    U  19           H2*        U  19   4.803  -1.863   5.363
  201   2HO*    U  19          2HO*        U  19   3.912  -0.919   3.706
  202    H1*    U  19           H1*        U  19   4.195   0.847   5.455
  203    H3     U  19           H3         U  19   8.640   0.983   5.793
  204    H5     U  19           H5         U  19   7.387  -0.374   9.557
  205    H6     U  19           H6         U  19   5.146  -0.500   8.691
  206   1H5*    G  20          1H5*        G  20   2.990  -3.333   3.348
  207   2H5*    G  20          2H5*        G  20   2.902  -5.091   3.236
  208    H4*    G  20           H4*        G  20   4.508  -4.234   1.766
  209    H3*    G  20           H3*        G  20   5.695  -5.902   4.015
  210    H2*    G  20           H2*        G  20   7.877  -5.517   3.030
  211   2HO*    G  20          2HO*        G  20   7.326  -5.961   0.957
  212    H1*    G  20           H1*        G  20   7.461  -2.901   2.204
  213    H8     G  20           H8         G  20   6.461  -3.716   5.854
  214    H1     G  20           H1         G  20  12.384  -1.427   4.967
  215   1H2     G  20          1H2         G  20  12.837  -1.244   2.764
  216   2H2     G  20          2H2         G  20  11.649  -1.696   1.613
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  19.008  -4.538  16.776
    2   2H5*    G   1          2H5*        G   1  17.351  -4.037  17.114
    3    H4*    G   1           H4*        G   1  18.342  -5.478  14.695
    4    H3*    G   1           H3*        G   1  18.401  -2.692  15.064
    5    H2*    G   1           H2*        G   1  16.116  -2.241  14.628
    6   2HO*    G   1          2HO*        G   1  15.690  -2.049  12.495
    7    H1*    G   1           H1*        G   1  15.915  -4.716  12.883
    8    H8     G   1           H8         G   1  13.929  -4.481  16.119
    9    H1     G   1           H1         G   1  10.686  -3.079  10.768
   10   1H2     G   1          1H2         G   1  12.093  -2.918   9.011
   11   2H2     G   1          2H2         G   1  13.773  -3.170   9.245
   12   1H5*    A   2          1H5*        A   2  20.217  -1.131  10.585
   13   2H5*    A   2          2H5*        A   2  18.757  -2.113  10.691
   14    H4*    A   2           H4*        A   2  21.214  -2.857   9.194
   15    H3*    A   2           H3*        A   2  18.879  -1.277   8.116
   16    H2*    A   2           H2*        A   2  18.994  -2.654   6.087
   17   2HO*    A   2          2HO*        A   2  21.328  -3.782   7.122
   18    H1*    A   2           H1*        A   2  19.222  -5.077   7.258
   19    H8     A   2           H8         A   2  16.950  -3.065   9.544
   20   1H6     A   2          1H6         A   2  12.331  -5.031   5.957
   21   2H6     A   2          2H6         A   2  12.749  -4.203   7.418
   22    H2     A   2           H2         A   2  16.208  -6.201   4.022
   23   1H5*    C   3          1H5*        C   3  20.759  -1.052   4.870
   24   2H5*    C   3          2H5*        C   3  20.783   0.623   4.319
   25    H4*    C   3           H4*        C   3  19.696  -0.755   2.761
   26    H3*    C   3           H3*        C   3  17.863   1.266   4.092
   27    H2*    C   3           H2*        C   3  16.067   0.381   2.657
   28   2HO*    C   3          2HO*        C   3  16.378  -0.840   0.975
   29    H1*    C   3           H1*        C   3  16.612  -2.260   3.005
   30   1H4     C   3          1H4         C   3  12.291  -1.167   7.482
   31   2H4     C   3          2H4         C   3  13.537  -0.754   8.612
   32    H5     C   3           H5         C   3  15.877  -0.583   8.004
   33    H6     C   3           H6         C   3  17.468  -0.787   6.148
   34   1H5*    A   4          1H5*        A   4  17.075   1.615  -0.057
   35   2H5*    A   4          2H5*        A   4  16.758   3.328  -0.332
   36    H4*    A   4           H4*        A   4  14.996   1.899  -1.082
   37    H3*    A   4           H3*        A   4  14.258   3.917   1.069
   38    H2*    A   4           H2*        A   4  11.955   3.058   0.883
   39   2HO*    A   4          2HO*        A   4  11.253   1.867  -0.697
   40    H1*    A   4           H1*        A   4  12.580   0.408   0.830
   41    H8     A   4           H8         A   4  14.942   2.048   3.322
   42   1H6     A   4          1H6         A   4  10.514   1.072   7.505
   43   2H6     A   4          2H6         A   4  12.150   1.575   7.251
   44    H2     A   4           H2         A   4   8.857   0.095   3.450
   45   1H5*    G   5          1H5*        G   5  11.239   4.187  -1.837
   46   2H5*    G   5          2H5*        G   5  10.843   5.901  -1.957
   47    H4*    G   5           H4*        G   5   8.951   4.507  -1.518
   48    H3*    G   5           H3*        G   5   9.576   6.621   0.575
   49    H2*    G   5           H2*        G   5   7.565   5.840   1.762
   50   2HO*    G   5          2HO*        G   5   6.075   4.627   0.912
   51    H1*    G   5           H1*        G   5   8.012   3.165   1.476
   52    H8     G   5           H8         G   5  11.428   4.677   2.160
   53    H1     G   5           H1         G   5   7.834   3.647   7.368
   54   1H2     G   5          1H2         G   5   5.721   3.115   6.777
   55   2H2     G   5          2H2         G   5   5.299   3.037   5.117
   56   1H5*    U   6          1H5*        U   6   5.512   7.041  -0.236
   57   2H5*    U   6          2H5*        U   6   5.146   8.766  -0.218
   58    H4*    U   6           H4*        U   6   3.768   7.492   1.252
   59    H3*    U   6           H3*        U   6   5.500   9.613   2.571
   60    H2*    U   6           H2*        U   6   4.450   8.967   4.693
   61   2HO*    U   6          2HO*        U   6   2.688   7.822   4.854
   62    H1*    U   6           H1*        U   6   4.521   6.258   4.309
   63    H3     U   6           H3         U   6   7.523   6.910   7.577
   64    H5     U   6           H5         U   6   9.605   7.787   4.045
   65    H6     U   6           H6         U   6   7.524   7.601   2.852
   66   1H5*    C   7          1H5*        C   7   1.692  10.141   4.187
   67   2H5*    C   7          2H5*        C   7   1.436  11.884   4.289
   68    H4*    C   7           H4*        C   7   1.084  10.760   6.355
   69    H3*    C   7           H3*        C   7   3.325  12.818   6.346
   70    H2*    C   7           H2*        C   7   3.631  12.325   8.717
   71   2HO*    C   7          2HO*        C   7   2.214  11.316   9.929
   72    H1*    C   7           H1*        C   7   3.278   9.596   8.566
   73   1H4     C   7          1H4         C   7   9.565  10.128   8.712
   74   2H4     C   7          2H4         C   7   9.614  10.460   7.015
   75    H5     C   7           H5         C   7   7.625  10.729   5.656
   76    H6     C   7           H6         C   7   5.172  10.721   5.701
   77   1H5*    U   8          1H5*        U   8   1.030  13.653   9.768
   78   2H5*    U   8          2H5*        U   8   0.910  15.411   9.841
   79    H4*    U   8           H4*        U   8   1.690  14.476  11.866
   80    H3*    U   8           H3*        U   8   3.682  16.288  10.451
   81    H2*    U   8           H2*        U   8   5.199  15.905  12.309
   82   2HO*    U   8          2HO*        U   8   3.012  14.808  13.651
   83    H1*    U   8           H1*        U   8   4.608  13.230  12.722
   84    H3     U   8           H3         U   8   8.894  12.978  11.502
   85    H5     U   8           H5         U   8   6.861  13.720   7.911
   86    H6     U   8           H6         U   8   4.848  14.024   9.192
   87   1H5*    C   9          1H5*        C   9   3.272  18.198  14.480
   88   2H5*    C   9          2H5*        C   9   3.394  19.901  14.043
   89    H4*    C   9           H4*        C   9   4.921  19.281  15.748
   90    H3*    C   9           H3*        C   9   6.198  20.238  13.158
   91    H2*    C   9           H2*        C   9   8.362  19.955  14.261
   92   2HO*    C   9          2HO*        C   9   8.609  19.684  16.370
   93    H1*    C   9           H1*        C   9   7.800  17.590  15.545
   94   1H4     C   9          1H4         C   9  10.908  15.541  10.457
   95   2H4     C   9          2H4         C   9   9.507  15.744   9.460
   96    H5     C   9           H5         C   9   7.434  16.709  10.264
   97    H6     C   9           H6         C   9   6.322  17.677  12.225
   98   1H5*    U  10          1H5*        U  10   8.637  22.154  15.561
   99   2H5*    U  10          2H5*        U  10   8.587  23.831  15.019
  100    H4*    U  10           H4*        U  10  10.784  23.060  15.018
  101    H3*    U  10           H3*        U  10   9.718  23.553  12.214
  102    H2*    U  10           H2*        U  10  11.953  22.921  11.402
  103   2HO*    U  10          2HO*        U  10  13.646  22.580  12.762
  104    H1*    U  10           H1*        U  10  12.312  20.758  13.024
  105    H3     U  10           H3         U  10  11.702  18.973   8.944
  106    H5     U  10           H5         U  10   7.832  19.609  10.426
  107    H6     U  10           H6         U  10   8.807  20.798  12.274
  108   1H5*    A  11          1H5*        A  11  12.938  27.870  11.623
  109   2H5*    A  11          2H5*        A  11  13.455  26.763  10.351
  110    H4*    A  11           H4*        A  11  15.312  27.849  11.406
  111    H3*    A  11           H3*        A  11  15.368  25.178  10.830
  112    H2*    A  11           H2*        A  11  14.957  24.328  13.058
  113   2HO*    A  11          2HO*        A  11  16.806  23.745  13.934
  114    H1*    A  11           H1*        A  11  16.678  26.553  14.191
  115    H8     A  11           H8         A  11  13.206  24.903  14.791
  116   1H6     A  11          1H6         A  11  14.752  25.282  20.751
  117   2H6     A  11          2H6         A  11  13.554  24.754  19.620
  118    H2     A  11           H2         A  11  18.055  27.109  18.325
  119   1H5*    C  12          1H5*        C  12  17.959  23.620  10.548
  120   2H5*    C  12          2H5*        C  12  19.116  24.254   9.379
  121    H4*    C  12           H4*        C  12  18.718  21.996   8.899
  122    H3*    C  12           H3*        C  12  18.543  23.778   6.859
  123    H2*    C  12           H2*        C  12  16.122  24.007   6.803
  124   2HO*    C  12          2HO*        C  12  16.807  23.154   4.840
  125    H1*    C  12           H1*        C  12  15.871  21.022   7.257
  126   1H4     C  12          1H4         C  12   9.818  22.306   8.264
  127   2H4     C  12          2H4         C  12  10.192  23.699   9.223
  128    H5     C  12           H5         C  12  12.456  24.462   9.630
  129    H6     C  12           H6         C  12  14.822  24.001   9.170
  130   1H5*    G  13          1H5*        G  13  19.488  18.568   7.833
  131   2H5*    G  13          2H5*        G  13  18.804  20.154   8.188
  132    H4*    G  13           H4*        G  13  21.584  19.808   8.850
  133    H3*    G  13           H3*        G  13  19.593  18.026  10.300
  134    H2*    G  13           H2*        G  13  20.717  18.579  12.365
  135   2HO*    G  13          2HO*        G  13  22.788  19.491  10.742
  136    H1*    G  13           H1*        G  13  21.328  21.230  11.767
  137    H8     G  13           H8         G  13  20.228  21.712  14.110
  138    H1     G  13           H1         G  13  14.502  20.009  11.783
  139   1H2     G  13          1H2         G  13  14.720  19.125   9.718
  140   2H2     G  13          2H2         G  13  16.276  18.997   9.011
  141   1H5*    G  14          1H5*        G  14  21.620  16.302  11.966
  142   2H5*    G  14          2H5*        G  14  21.301  14.568  12.017
  143    H4*    G  14           H4*        G  14  20.632  15.924  13.978
  144    H3*    G  14           H3*        G  14  18.702  13.975  12.697
  145    H2*    G  14           H2*        G  14  17.045  14.681  14.374
  146   2HO*    G  14          2HO*        G  14  17.501  15.814  16.099
  147    H1*    G  14           H1*        G  14  17.441  17.354  14.180
  148    H8     G  14           H8         G  14  17.869  16.344  10.592
  149    H1     G  14           H1         G  14  11.768  16.505  12.558
  150   1H2     G  14          1H2         G  14  11.667  16.685  14.806
  151   2H2     G  14          2H2         G  14  13.118  16.758  15.717
  152   1H5*    A  15          1H5*        A  15  18.234  13.420  16.772
  153   2H5*    A  15          2H5*        A  15  18.160  11.677  17.035
  154    H4*    A  15           H4*        A  15  16.319  12.864  17.987
  155    H3*    A  15           H3*        A  15  15.624  10.798  15.867
  156    H2*    A  15           H2*        A  15  13.265  11.359  16.296
  157   2HO*    A  15          2HO*        A  15  12.574  12.388  17.976
  158    H1*    A  15           H1*        A  15  13.562  14.068  16.370
  159    H8     A  15           H8         A  15  15.861  13.012  13.580
  160   1H6     A  15          1H6         A  15  10.879  13.040   9.941
  161   2H6     A  15          2H6         A  15  12.605  12.928   9.995
  162    H2     A  15           H2         A  15   9.516  13.484  14.194
  163   1H5*    G  16          1H5*        G  16  13.094  10.011  19.097
  164   2H5*    G  16          2H5*        G  16  12.907   8.259  19.204
  165    H4*    G  16           H4*        G  16  10.844   9.494  19.044
  166    H3*    G  16           H3*        G  16  11.384   7.406  16.900
  167    H2*    G  16           H2*        G  16   9.192   7.965  15.971
  168   2HO*    G  16          2HO*        G  16   7.687   9.032  17.007
  169    H1*    G  16           H1*        G  16   9.348  10.690  16.306
  170    H8     G  16           H8         G  16  12.740   9.782  14.955
  171    H1     G  16           H1         G  16   8.112   9.981  10.521
  172   1H2     G  16          1H2         G  16   6.084  10.105  11.502
  173   2H2     G  16          2H2         G  16   5.970  10.136  13.213
  174   1H5*    A  17          1H5*        A  17   7.430   6.699  18.383
  175   2H5*    A  17          2H5*        A  17   7.233   4.947  18.373
  176    H4*    A  17           H4*        A  17   5.516   6.189  17.214
  177    H3*    A  17           H3*        A  17   7.041   4.080  15.636
  178    H2*    A  17           H2*        A  17   5.606   4.628  13.739
  179   2HO*    A  17          2HO*        A  17   4.058   6.130  15.512
  180    H1*    A  17           H1*        A  17   5.553   7.360  14.105
  181    H8     A  17           H8         A  17   9.161   6.377  14.563
  182   1H6     A  17          1H6         A  17   9.647   6.639   8.419
  183   2H6     A  17          2H6         A  17  10.509   6.495   9.912
  184    H2     A  17           H2         A  17   5.301   6.939   9.498
  185   1H5*    C  18          1H5*        C  18   2.972   3.377  14.893
  186   2H5*    C  18          2H5*        C  18   2.763   1.626  14.830
  187    H4*    C  18           H4*        C  18   1.942   2.790  12.901
  188    H3*    C  18           H3*        C  18   4.111   0.711  12.418
  189    H2*    C  18           H2*        C  18   3.896   1.210  10.037
  190   2HO*    C  18          2HO*        C  18   2.261   2.253   9.170
  191    H1*    C  18           H1*        C  18   3.627   3.941  10.265
  192   1H4     C  18          1H4         C  18   9.732   3.326   8.790
  193   2H4     C  18          2H4         C  18  10.135   2.977  10.438
  194    H5     C  18           H5         C  18   8.474   2.724  12.185
  195    H6     C  18           H6         C  18   6.067   2.767  12.662
  196   1H5*    U  19          1H5*        U  19   1.246  -0.112   9.532
  197   2H5*    U  19          2H5*        U  19   1.051  -1.864   9.537
  198    H4*    U  19           H4*        U  19   1.489  -1.005   7.377
  199    H3*    U  19           H3*        U  19   3.622  -2.880   8.465
  200    H2*    U  19           H2*        U  19   4.804  -2.605   6.366
  201   2HO*    U  19          2HO*        U  19   3.932  -1.957   4.570
  202    H1*    U  19           H1*        U  19   4.242   0.084   5.971
  203    H3     U  19           H3         U  19   8.702   0.079   6.357
  204    H5     U  19           H5         U  19   7.319  -0.264  10.301
  205    H6     U  19           H6         U  19   5.092  -0.517   9.427
  206   1H5*    G  20          1H5*        G  20   2.689  -4.284   4.531
  207   2H5*    G  20          2H5*        G  20   2.670  -6.042   4.678
  208    H4*    G  20           H4*        G  20   4.055  -5.352   2.913
  209    H3*    G  20           H3*        G  20   5.556  -6.676   5.201
  210    H2*    G  20           H2*        G  20   7.590  -6.403   3.855
  211   2HO*    G  20          2HO*        G  20   6.730  -7.007   1.929
  212    H1*    G  20           H1*        G  20   7.087  -3.860   2.973
  213    H8     G  20           H8         G  20   6.220  -4.464   6.701
  214    H1     G  20           H1         G  20  12.071  -2.149   5.467
  215   1H2     G  20          1H2         G  20  12.442  -2.088   3.241
  216   2H2     G  20          2H2         G  20  11.220  -2.622   2.163