*HEADER   DEOXYRIBONUCLEIC ACID                   31-DEC-96   2PIK    
*TITLE    CALICHEAMICIN GAMMA1I - DNA COMPLEX, NMR, 6 STRUCTURES      
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DNA(5'-D(C*AP*CP*TP*CP*CP*TP*GP*GP*TP*TP*TP*TP*  
*COMPND  3 TP*GP*TP*GP*AP*GP*GP*AP*CP*CP)-3');                        
*COMPND  4 CHAIN: NULL;                                               
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES                                             
*KEYWDS   DEOXYRIBONUCLEIC ACID, CALICHEAMICIN GAMMA1I - DNA COMPLEX, 
*KEYWDS  2 ENEDIYNE ALIGNMENT IN MINOR GROOVE, SACCHARIDE DNA MINOR   
*KEYWDS  3 GROOVE INTERACTIONS, INTERMOLECULAR DRUG IODINE-GUANINE    
*KEYWDS  4 AMINO PROTON INTERACTIONS, SPECIFICITY AND CLEAVAGE PROCESS
*EXPDTA   NMR, 6 STRUCTURES                                           
*AUTHOR   R.A.KUMAR,N.IKEMOTO,D.J.PATEL                               
*REVDAT  1   15-MAY-97 2PIK    0                                      


! D2O Distance restraints from NOE buildup

assi (resi   1 and name H5'* and segi DNA1)
     (resi   1 and name H2'' and segi DNA1)  4.32  0.86  0.86
assi (resi   1 and name H5'* and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)  3.98  0.60  0.60
assi (resi   1 and name H5   and segi DNA1)
     (resi   1 and name H3'  and segi DNA1)  3.97  0.79  0.79
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H2'' and segi DNA1)  2.91  0.44  0.44
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H3'  and segi DNA1)  3.12  0.47  0.47
assi (resi   1 and name H1'  and segi DNA1)
     (resi   1 and name H5'* and segi DNA1)  4.66  0.93  0.93
assi (resi   1 and name H1'  and segi DNA1)
     (resi   1 and name H4'  and segi DNA1)  2.99  0.30  0.30
assi (resi   1 and name H5   and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)  3.50  0.70  0.70
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H1'  and segi DNA1)  3.19  0.32  0.32
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H4'  and segi DNA1)  3.54  0.71  0.71
assi (resi   1 and name H5   and segi DNA1)
     (resi   1 and name H5'* and segi DNA1)  4.82  0.96  0.96
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)  2.70  0.40  0.40
assi (resi   1 and name H1'  and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)  2.88  0.29  0.29
assi (resi   1 and name H1'  and segi DNA1)
     (resi   1 and name H2'' and segi DNA1)  2.44  0.24  0.24
assi (resi   1 and name H3'  and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)  2.62  0.26  0.26
assi (resi   1 and name H1'  and segi DNA1)
     (resi   1 and name H3'  and segi DNA1)  3.45  0.52  0.52
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H5'* and segi DNA1)  3.65  0.36  0.36
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H1'  and segi DNA1)  3.91  0.78  0.78
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)  3.00  0.30  0.30
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H2'' and segi DNA1)  3.15  0.32  0.32
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H5   and segi DNA1)  5.00  1.00  1.00
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H5'* and segi DNA1)  5.00  1.00  1.00
assi (resi   1 and name H1'  and segi DNA1)
     (resi   2 and name H4'  and segi DNA1)  4.53  0.91  0.91
assi (resi   2 and name H3'  and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)  4.76  0.71  0.71
assi (resi   1 and name H1'  and segi DNA1)
     (resi   2 and name H3'  and segi DNA1)  4.83  0.97  0.97
assi (resi   2 and name H3'  and segi DNA1)
     (resi   1 and name H2'' and segi DNA1)  4.23  0.85  0.85
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H6   and segi DNA1)  4.34  0.65  0.65
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H3'  and segi DNA1)  3.33  0.50  0.50
assi (resi   2 and name H8   and segi DNA1)
     (resi   2 and name H3'  and segi DNA1)  3.28  0.49  0.49
assi (resi   2 and name H8   and segi DNA1)
     (resi   2 and name H4'  and segi DNA1)  4.25  0.85  0.85
assi (resi   2 and name H2   and segi DNA1)
     (resi   2 and name H1'  and segi DNA1)  4.31  0.43  0.43
assi (resi   2 and name H1'  and segi DNA1)
     (resi   2 and name H3'  and segi DNA1)  3.38  0.51  0.51
assi (resi   2 and name H8   and segi DNA1)
     (resi   2 and name H2'' and segi DNA1)  2.85  0.28  0.28
assi (resi   2 and name H3'  and segi DNA1)
     (resi   2 and name H2'' and segi DNA1)  2.67  0.27  0.27
assi (resi   2 and name H3'  and segi DNA1)
     (resi   2 and name H2'  and segi DNA1)  2.35  0.35  0.35
assi (resi   2 and name H8   and segi DNA1)
     (resi   2 and name H1'  and segi DNA1)  3.54  0.71  0.71
assi (resi   2 and name H1'  and segi DNA1)
     (resi   2 and name H2'' and segi DNA1)  2.67  0.27  0.27
assi (resi   2 and name H8   and segi DNA1)
     (resi   2 and name H2'  and segi DNA1)  2.47  0.37  0.37
assi (resi   3 and name H6   and segi DNA1)
     (resi   2 and name H4'  and segi DNA1)  4.42  0.88  0.88
assi (resi   3 and name H5   and segi DNA1)
     (resi   2 and name H2'' and segi DNA1)  3.35  0.50  0.50
assi (resi   3 and name H5   and segi DNA1)
     (resi   2 and name H2'  and segi DNA1)  3.44  0.52  0.52
assi (resi   2 and name H1'  and segi DNA1)
     (resi   3 and name H5   and segi DNA1)  4.00  0.80  0.80
assi (resi   2 and name H8   and segi DNA1)
     (resi   3 and name H5   and segi DNA1)  3.55  0.53  0.53
assi (resi   2 and name H8   and segi DNA1)
     (resi   3 and name H5   and segi DNA1)  3.55  0.53  0.53
assi (resi   2 and name H8   and segi DNA1)
     (resi   3 and name H6   and segi DNA1)  3.93  0.79  0.79
assi (resi   2 and name H1'  and segi DNA1)
     (resi   3 and name H1'  and segi DNA1)  3.75  0.56  0.56
assi (resi   3 and name H5   and segi DNA1)
     (resi   2 and name H4'  and segi DNA1)  5.00  1.00  1.00
assi (resi   2 and name H2   and segi DNA1)
     (resi   3 and name H1'  and segi DNA1)  3.46  0.52  0.52
assi (resi   3 and name H6   and segi DNA1)
     (resi   2 and name H1'  and segi DNA1)  3.20  0.32  0.32
assi (resi   3 and name H6   and segi DNA1)
     (resi   2 and name H3'  and segi DNA1)  4.03  0.81  0.81
assi (resi   3 and name H5   and segi DNA1)
     (resi   2 and name H3'  and segi DNA1)  4.78  0.96  0.96
assi (resi   2 and name H1'  and segi DNA1)
     (resi   3 and name H3'  and segi DNA1)  4.66  0.93  0.93
assi (resi   3 and name H5   and segi DNA1)
     (resi   3 and name H2'  and segi DNA1)  4.07  0.81  0.81
assi (resi   3 and name H3'  and segi DNA1)
     (resi   3 and name H2'  and segi DNA1)  2.84  0.28  0.28
assi (resi   3 and name H6   and segi DNA1)
     (resi   3 and name H1'  and segi DNA1)  3.43  0.34  0.34
assi (resi   3 and name H6   and segi DNA1)
     (resi   3 and name H2'' and segi DNA1)  3.40  0.51  0.51
assi (resi   3 and name H1'  and segi DNA1)
     (resi   3 and name H2'' and segi DNA1)  2.64  0.40  0.40
assi (resi   3 and name H1'  and segi DNA1)
     (resi   3 and name H5   and segi DNA1)  4.33  0.65  0.65
assi (resi   3 and name H1'  and segi DNA1)
     (resi   3 and name H2'  and segi DNA1)  3.05  0.30  0.30
assi (resi   3 and name H1'  and segi DNA1)
     (resi   3 and name H3'  and segi DNA1)  3.53  0.53  0.53
assi (resi   3 and name H6   and segi DNA1)
     (resi   3 and name H3'  and segi DNA1)  3.44  0.52  0.52
assi (resi   4 and name H6   and segi DNA1)
     (resi   3 and name H1'  and segi DNA1)  3.88  0.58  0.58
assi (resi   4 and name H6   and segi DNA1)
     (resi   3 and name H2'' and segi DNA1)  3.36  0.50  0.50
assi (resi   4 and name H6   and segi DNA1)
     (resi   3 and name H2'  and segi DNA1)  2.76  0.28  0.28
assi (resi   3 and name H1'  and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)  5.38  1.08  1.08
assi (resi   3 and name H3'  and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)  4.00  0.60  0.60
assi (resi   3 and name H6   and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)  3.82  0.57  0.57
assi (resi   3 and name H5   and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)  4.55  0.91  0.91
assi (resi   4 and name H1'  and segi DNA1)
     (resi   4 and name H2'  and segi DNA1)  3.28  0.49  0.49
assi (resi   4 and name H6   and segi DNA1)
     (resi   4 and name H4'  and segi DNA1)  4.11  0.82  0.82
assi (resi   4 and name H1'  and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)  5.50  1.10  1.10
assi (resi   4 and name H1'  and segi DNA1)
     (resi   4 and name H2'' and segi DNA1)  3.01  0.45  0.45
assi (resi   4 and name H1'  and segi DNA1)
     (resi   4 and name H4'  and segi DNA1)  3.23  0.48  0.48
assi (resi   4 and name H6   and segi DNA1)
     (resi   4 and name H1'  and segi DNA1)  3.50  0.53  0.53
assi (resi   4 and name H6   and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)  3.58  0.54  0.54
assi (resi   4 and name H6   and segi DNA1)
     (resi   4 and name H2'' and segi DNA1)  2.90  0.43  0.43
assi (resi   4 and name H6   and segi DNA1)
     (resi   5 and name H5   and segi DNA1)  3.65  0.73  0.73
assi (resi   5 and name H6   and segi DNA1)
     (resi   4 and name H1'  and segi DNA1)  3.55  0.35  0.35
assi (resi   5 and name H5   and segi DNA1)
     (resi   4 and name H2'' and segi DNA1)  3.55  0.53  0.53
assi (resi   4 and name H1'  and segi DNA1)
     (resi   5 and name H5   and segi DNA1)  4.56  0.91  0.91
assi (resi   5 and name H6   and segi DNA1)
     (resi   4 and name H2'  and segi DNA1)  3.46  0.52  0.52
assi (resi   5 and name H5   and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)  4.76  0.48  0.48
assi (resi   5 and name H6   and segi DNA1)
     (resi   4 and name H2'' and segi DNA1)  3.09  0.31  0.31
assi (resi   5 and name H5   and segi DNA1)
     (resi   4 and name H3'  and segi DNA1)  4.44  0.89  0.89
assi (resi   5 and name H5   and segi DNA1)
     (resi   4 and name H2'  and segi DNA1)  4.28  0.86  0.86
assi (resi   4 and name H1'  and segi DNA1)
     (resi  36 and name H4   and segi CALI)  3.50  0.53  0.53
assi (resi   5 and name H6   and segi DNA1)
     (resi   5 and name H1'  and segi DNA1)  4.08  0.61  0.61
assi (resi   5 and name H1'  and segi DNA1)
     (resi   5 and name H2'' and segi DNA1)  2.97  0.45  0.45
assi (resi   5 and name H1'  and segi DNA1)
     (resi   6 and name H5   and segi DNA1)  4.05  0.81  0.81
assi (resi   5 and name H1'  and segi DNA1)
     (resi   6 and name H3'  and segi DNA1)  4.16  0.83  0.83
assi (resi   5 and name H6   and segi DNA1)
     (resi   6 and name H5   and segi DNA1)  3.45  0.52  0.52
assi (resi   6 and name H6   and segi DNA1)
     (resi   5 and name H2'' and segi DNA1)  2.77  0.42  0.42
assi (resi   6 and name H6   and segi DNA1)
     (resi   5 and name H1'  and segi DNA1)  3.54  0.53  0.53
assi (resi   6 and name H5   and segi DNA1)
     (resi   5 and name H2'' and segi DNA1)  3.21  0.48  0.48
assi (resi  20 and name H2   and segi DNA2)
     (resi   5 and name H1'  and segi DNA1)  3.65  0.55  0.55
assi (resi   5 and name H1'  and segi DNA1)
     (resi  32 and name H3   and segi CALI)  3.49  0.52  0.52
assi (resi   5 and name H1'  and segi DNA1)
     (resi  32 and name H1   and segi CALI)  4.13  0.62  0.62
assi (resi   5 and name H1'  and segi DNA1)
     (resi  32 and name H6#  and segi CALI)  5.50  1.65  1.65
assi (resi   5 and name H1'  and segi DNA1)
     (resi  35 and name H8#  and segi CALI)  5.50  1.10  1.10
assi (resi   5 and name H6   and segi DNA1)
     (resi  35 and name H8#  and segi CALI)  5.50  1.10  1.10
assi (resi   6 and name H3'  and segi DNA1)
     (resi   6 and name H2'  and segi DNA1)  2.87  0.43  0.43
assi (resi   6 and name H3'  and segi DNA1)
     (resi   6 and name H2'' and segi DNA1)  2.81  0.42  0.42
assi (resi   6 and name H1'  and segi DNA1)
     (resi   6 and name H2'' and segi DNA1)  2.68  0.40  0.40
assi (resi   6 and name H1'  and segi DNA1)
     (resi  32 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi   6 and name H3'  and segi DNA1)
     (resi  32 and name H6#  and segi CALI)  4.00  0.60  0.60
assi (resi   6 and name H1'  and segi DNA1)
     (resi  32 and name H3   and segi CALI)  3.40  0.51  0.51
assi (resi   6 and name H6   and segi DNA1)
     (resi  32 and name H3   and segi CALI)  4.42  0.88  0.88
assi (resi   6 and name H1'  and segi DNA1)
     (resi  32 and name H4   and segi CALI)  3.32  0.50  0.50
assi (resi   6 and name H1'  and segi DNA1)
     (resi  33 and name H8#  and segi CALI)  3.38  0.51  0.51
assi (resi   6 and name H6   and segi DNA1)
     (resi  35 and name H8#  and segi CALI)  5.50  1.10  1.10
assi (resi   7 and name H1'  and segi DNA1)
     (resi   7 and name H3'  and segi DNA1)  3.43  0.51  0.51
assi (resi   7 and name H6   and segi DNA1)
     (resi   7 and name H2'  and segi DNA1)  2.55  0.38  0.38
assi (resi   7 and name H6   and segi DNA1)
     (resi   7 and name H5#  and segi DNA1)  3.39  0.51  0.51
assi (resi   7 and name H6   and segi DNA1)
     (resi   7 and name H1'  and segi DNA1)  3.45  0.34  0.34
assi (resi   7 and name H3'  and segi DNA1)
     (resi   7 and name H2'  and segi DNA1)  2.72  0.41  0.41
assi (resi   7 and name H6   and segi DNA1)
     (resi   7 and name H2'' and segi DNA1)  3.46  0.52  0.52
assi (resi   8 and name H8   and segi DNA1)
     (resi   7 and name H6   and segi DNA1)  4.08  0.82  0.82
assi (resi   7 and name H1'  and segi DNA1)
     (resi   8 and name H3'  and segi DNA1)  5.00  1.00  1.00
assi (resi   8 and name H8   and segi DNA1)
     (resi   7 and name H3'  and segi DNA1)  3.92  0.78  0.78
assi (resi   7 and name H1'  and segi DNA1)
     (resi   8 and name H4'  and segi DNA1)  4.41  0.88  0.88
assi (resi   8 and name H8   and segi DNA1)
     (resi   7 and name H1'  and segi DNA1)  3.76  0.56  0.56
assi (resi   8 and name H8   and segi DNA1)
     (resi   7 and name H5#  and segi DNA1)  5.50  1.10  1.10
assi (resi   8 and name H8   and segi DNA1)
     (resi   7 and name H2'  and segi DNA1)  3.32  0.50  0.50
assi (resi   7 and name H1'  and segi DNA1)
     (resi  33 and name H9#  and segi CALI)  5.50  1.10  1.10
assi (resi  33 and name H9#  and segi CALI)
     (resi   7 and name H4'  and segi DNA1)  3.95  0.39  0.39
assi (resi   7 and name H1'  and segi DNA1)
     (resi  34 and name H7#  and segi CALI)  5.50  1.10  1.10
assi (resi   8 and name H3'  and segi DNA1)
     (resi   8 and name H2'' and segi DNA1)  2.58  0.39  0.39
assi (resi   8 and name H8   and segi DNA1)
     (resi   8 and name H2'' and segi DNA1)  2.90  0.29  0.29
assi (resi   8 and name H1'  and segi DNA1)
     (resi   8 and name H2'' and segi DNA1)  2.79  0.28  0.28
assi (resi   8 and name H3'  and segi DNA1)
     (resi   8 and name H2'  and segi DNA1)  2.55  0.38  0.38
assi (resi   8 and name H8   and segi DNA1)
     (resi   8 and name H3'  and segi DNA1)  3.60  0.72  0.72
assi (resi   8 and name H1'  and segi DNA1)
     (resi   8 and name H4'  and segi DNA1)  3.23  0.32  0.32
assi (resi   8 and name H8   and segi DNA1)
     (resi   8 and name H1'  and segi DNA1)  3.76  0.75  0.75
assi (resi   8 and name H1'  and segi DNA1)
     (resi   8 and name H3'  and segi DNA1)  3.50  0.53  0.53
assi (resi   8 and name H8   and segi DNA1)
     (resi   8 and name H4'  and segi DNA1)  4.05  0.81  0.81
assi (resi   8 and name H8   and segi DNA1)
     (resi   8 and name H2'  and segi DNA1)  2.66  0.27  0.27
assi (resi   8 and name H1'  and segi DNA1)
     (resi   8 and name H2'  and segi DNA1)  2.90  0.29  0.29
assi (resi   9 and name H8   and segi DNA1)
     (resi   8 and name H2'' and segi DNA1)  2.85  0.29  0.29
assi (resi   9 and name H8   and segi DNA1)
     (resi   8 and name H3'  and segi DNA1)  3.99  0.80  0.80
assi (resi   9 and name H8   and segi DNA1)
     (resi   8 and name H1'  and segi DNA1)  4.43  0.89  0.89
assi (resi   8 and name H1'  and segi DNA1)
     (resi   9 and name H4'  and segi DNA1)  3.81  0.57  0.57
assi (resi   8 and name H1'  and segi DNA1)
     (resi   9 and name H3'  and segi DNA1)  5.00  1.50  1.50
assi (resi   8 and name H3'  and segi DNA1)
     (resi  33 and name H9#  and segi CALI)  5.50  0.82  0.82
assi (resi   8 and name H1'  and segi DNA1)
     (resi  34 and name H7#  and segi CALI)  5.50  1.10  1.10
assi (resi   8 and name H8   and segi DNA1)
     (resi  34 and name H7#  and segi CALI)  5.50  1.10  1.10
assi (resi   8 and name H3'  and segi DNA1)
     (resi  34 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi   8 and name H3'  and segi DNA1)
     (resi  34 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi   8 and name H3'  and segi DNA1)
     (resi  34 and name H7#  and segi CALI)  5.20  1.04  1.04
assi (resi   9 and name H8   and segi DNA1)
     (resi   9 and name H3'  and segi DNA1)  3.67  0.73  0.73
assi (resi   9 and name H1'  and segi DNA1)
     (resi   9 and name H3'  and segi DNA1)  3.64  0.55  0.55
assi (resi   9 and name H1'  and segi DNA1)
     (resi   9 and name H4'  and segi DNA1)  3.18  0.48  0.48
assi (resi   9 and name H3'  and segi DNA1)
     (resi   9 and name H2'  and segi DNA1)  3.00  0.45  0.45
assi (resi   9 and name H8   and segi DNA1)
     (resi   9 and name H1'  and segi DNA1)  3.53  0.71  0.71
assi (resi   9 and name H8   and segi DNA1)
     (resi   9 and name H4'  and segi DNA1)  4.90  1.47  1.47
assi (resi   9 and name H1'  and segi DNA1)
     (resi   9 and name H2'  and segi DNA1)  2.89  0.43  0.43
assi (resi   9 and name H3'  and segi DNA1)
     (resi   9 and name H2'' and segi DNA1)  3.40  0.51  0.51
assi (resi   9 and name H1'  and segi DNA1)
     (resi   9 and name H2'' and segi DNA1)  2.71  0.41  0.41
assi (resi  15 and name H5   and segi DNA2)
     (resi  15 and name H2'  and segi DNA2)  3.30  0.66  0.66
assi (resi  15 and name H1'  and segi DNA2)
     (resi  15 and name H2'  and segi DNA2)  2.75  0.41  0.41
assi (resi  15 and name H6   and segi DNA2)
     (resi  15 and name H3'  and segi DNA2)  3.09  0.46  0.46
assi (resi  15 and name H5   and segi DNA2)
     (resi  15 and name H3'  and segi DNA2)  4.15  0.83  0.83
assi (resi  16 and name H1'  and segi DNA2)
     (resi  16 and name H2'  and segi DNA2)  3.16  0.47  0.47
assi (resi  16 and name H1'  and segi DNA2)
     (resi  16 and name H4'  and segi DNA2)  3.09  0.31  0.31
assi (resi  16 and name H5   and segi DNA2)
     (resi  16 and name H2'  and segi DNA2)  3.18  0.48  0.48
assi (resi  16 and name H3'  and segi DNA2)
     (resi  16 and name H2'  and segi DNA2)  2.72  0.27  0.27
assi (resi  16 and name H6   and segi DNA2)
     (resi  16 and name H2'  and segi DNA2)  2.59  0.26  0.26
assi (resi  16 and name H1'  and segi DNA2)
     (resi  16 and name H2'' and segi DNA2)  2.72  0.41  0.41
assi (resi  16 and name H1'  and segi DNA2)
     (resi  16 and name H3'  and segi DNA2)  3.50  0.53  0.53
assi (resi  16 and name H1'  and segi DNA2)
     (resi  17 and name H4'  and segi DNA2)  4.54  0.68  0.68
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H5   and segi DNA2)  5.00  0.75  0.75
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H6   and segi DNA2)  3.46  0.35  0.35
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H3'  and segi DNA2)  3.93  0.39  0.39
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H1'  and segi DNA2)  3.54  0.53  0.53
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H2'  and segi DNA2)  3.69  0.37  0.37
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H2'' and segi DNA2)  3.23  0.32  0.32
assi (resi  17 and name H8   and segi DNA2)
     (resi  17 and name H4'  and segi DNA2)  4.38  0.88  0.88
assi (resi  17 and name H8   and segi DNA2)
     (resi  17 and name H1'  and segi DNA2)  3.57  0.54  0.54
assi (resi  17 and name H1'  and segi DNA2)
     (resi  17 and name H2'' and segi DNA2)  2.75  0.27  0.27
assi (resi  17 and name H1'  and segi DNA2)
     (resi  17 and name H3'  and segi DNA2)  3.55  0.53  0.53
assi (resi  17 and name H2   and segi DNA2)
     (resi  17 and name H1'  and segi DNA2)  4.51  0.68  0.68
assi (resi  17 and name H8   and segi DNA2)
     (resi  17 and name H2'' and segi DNA2)  2.86  0.29  0.29
assi (resi  17 and name H3'  and segi DNA2)
     (resi  17 and name H2'' and segi DNA2)  2.89  0.29  0.29
assi (resi  17 and name H8   and segi DNA2)
     (resi  17 and name H2'  and segi DNA2)  2.50  0.25  0.25
assi (resi  17 and name H3'  and segi DNA2)
     (resi  17 and name H2'  and segi DNA2)  2.59  0.26  0.26
assi (resi  17 and name H8   and segi DNA2)
     (resi  17 and name H3'  and segi DNA2)  3.38  0.51  0.51
assi (resi  17 and name H1'  and segi DNA2)
     (resi  18 and name H4'  and segi DNA2)  3.98  0.80  0.80
assi (resi  17 and name H1'  and segi DNA2)
     (resi  18 and name H3'  and segi DNA2)  4.30  0.86  0.86
assi (resi  18 and name H8   and segi DNA2)
     (resi  17 and name H4'  and segi DNA2)  4.48  0.90  0.90
assi (resi  17 and name H1'  and segi DNA2)
     (resi  18 and name H1'  and segi DNA2)  4.18  0.63  0.63
assi (resi  18 and name H8   and segi DNA2)
     (resi  17 and name H2'  and segi DNA2)  2.98  0.45  0.45
assi (resi  18 and name H8   and segi DNA2)
     (resi  17 and name H3'  and segi DNA2)  3.74  0.75  0.75
assi (resi  18 and name H8   and segi DNA2)
     (resi  17 and name H2'' and segi DNA2)  2.86  0.43  0.43
assi (resi  18 and name H8   and segi DNA2)
     (resi  17 and name H1'  and segi DNA2)  3.40  0.51  0.51
assi (resi  17 and name H2   and segi DNA2)
     (resi  18 and name H1'  and segi DNA2)  3.95  0.59  0.59
assi (resi  18 and name H1'  and segi DNA2)
     (resi  17 and name H2'' and segi DNA2)  5.00  1.00  1.00
assi (resi  18 and name H1'  and segi DNA2)
     (resi  18 and name H3'  and segi DNA2)  3.60  0.72  0.72
assi (resi  18 and name H8   and segi DNA2)
     (resi  18 and name H3'  and segi DNA2)  3.48  0.52  0.52
assi (resi  18 and name H3'  and segi DNA2)
     (resi  18 and name H2'* and segi DNA2)  2.78  0.42  0.42
assi (resi  18 and name H8   and segi DNA2)
     (resi  18 and name H4'  and segi DNA2)  4.15  0.83  0.83
assi (resi  18 and name H1'  and segi DNA2)
     (resi  18 and name H2'* and segi DNA2)  2.84  0.28  0.28
assi (resi  18 and name H1'  and segi DNA2)
     (resi  18 and name H4'  and segi DNA2)  3.15  0.47  0.47
assi (resi  19 and name H8   and segi DNA2)
     (resi  18 and name H4'  and segi DNA2)  4.07  0.61  0.61
assi (resi  19 and name H8   and segi DNA2)
     (resi  18 and name H3'  and segi DNA2)  3.79  0.76  0.76
assi (resi  19 and name H8   and segi DNA2)
     (resi  18 and name H1'  and segi DNA2)  2.76  0.28  0.28
assi (resi  19 and name H1'  and segi DNA2)
     (resi  18 and name H1'  and segi DNA2)  4.65  0.70  0.70
assi (resi  19 and name H8   and segi DNA2)
     (resi  18 and name H8   and segi DNA2)  3.96  0.59  0.59
assi (resi  18 and name H1'  and segi DNA2)
     (resi  19 and name H4'  and segi DNA2)  4.56  0.91  0.91
assi (resi  19 and name H1'  and segi DNA2)
     (resi  19 and name H3'  and segi DNA2)  3.50  0.53  0.53
assi (resi  19 and name H8   and segi DNA2)
     (resi  19 and name H2'' and segi DNA2)  3.13  0.47  0.47
assi (resi  19 and name H3'  and segi DNA2)
     (resi  19 and name H2'' and segi DNA2)  2.83  0.42  0.42
assi (resi  19 and name H8   and segi DNA2)
     (resi  19 and name H3'  and segi DNA2)  3.70  0.55  0.55
assi (resi  19 and name H1'  and segi DNA2)
     (resi  19 and name H4'  and segi DNA2)  3.39  0.51  0.51
assi (resi  19 and name H3'  and segi DNA2)
     (resi  19 and name H2'  and segi DNA2)  2.66  0.27  0.27
assi (resi  19 and name H8   and segi DNA2)
     (resi  19 and name H1'  and segi DNA2)  3.48  0.52  0.52
assi (resi  19 and name H8   and segi DNA2)
     (resi  19 and name H4'  and segi DNA2)  3.98  0.80  0.80
assi (resi  19 and name H1'  and segi DNA2)
     (resi  19 and name H2'' and segi DNA2)  2.62  0.39  0.39
assi (resi  19 and name H1'  and segi DNA2)
     (resi  19 and name H2'  and segi DNA2)  2.78  0.28  0.28
assi (resi  20 and name H8   and segi DNA2)
     (resi  19 and name H3'  and segi DNA2)  3.82  0.57  0.57
assi (resi  20 and name H8   and segi DNA2)
     (resi  19 and name H1'  and segi DNA2)  3.21  0.48  0.48
assi (resi  19 and name H1'  and segi DNA2)
     (resi  20 and name H3'  and segi DNA2)  4.23  0.85  0.85
assi (resi  20 and name H8   and segi DNA2)
     (resi  19 and name H2'' and segi DNA2)  2.74  0.41  0.41
assi (resi  19 and name H1'  and segi DNA2)
     (resi  20 and name H5'* and segi DNA2)  3.60  0.54  0.54
assi (resi  20 and name H8   and segi DNA2)
     (resi  19 and name H4'  and segi DNA2)  4.51  0.90  0.90
assi (resi  19 and name H1'  and segi DNA2)
     (resi  20 and name H5'* and segi DNA2)  3.19  0.48  0.48
assi (resi  19 and name H1'  and segi DNA2)
     (resi  20 and name H4'  and segi DNA2)  3.94  0.59  0.59
assi (resi  19 and name H3'  and segi DNA2)
     (resi  33 and name H8#  and segi CALI)  5.50  1.10  1.10
assi (resi  19 and name H1'  and segi DNA2)
     (resi  33 and name H8#  and segi CALI)  4.06  0.61  0.61
assi (resi  19 and name H3'  and segi DNA2)
     (resi  34 and name H7#  and segi CALI)  4.94  0.99  0.99
assi (resi  19 and name H1'  and segi DNA2)
     (resi  34 and name H1   and segi CALI)  4.40  0.66  0.66
assi (resi  19 and name H1'  and segi DNA2)
     (resi  34 and name H7#  and segi CALI)  5.50  1.10  1.10
assi (resi  19 and name H4'  and segi DNA2)
     (resi  34 and name H7#  and segi CALI)  3.18  0.48  0.48
assi (resi  19 and name H3'  and segi DNA2)
     (resi  34 and name H2   and segi CALI)  4.63  0.93  0.93
assi (resi  19 and name H1'  and segi DNA2)
     (resi  34 and name H2   and segi CALI)  4.48  0.67  0.67
assi (resi  19 and name H8   and segi DNA2)
     (resi  34 and name H7#  and segi CALI)  5.50  0.82  0.82
assi (resi  20 and name H3'  and segi DNA2)
     (resi  20 and name H2'' and segi DNA2)  2.93  0.29  0.29
assi (resi  20 and name H1'  and segi DNA2)
     (resi  20 and name H3'  and segi DNA2)  3.42  0.51  0.51
assi (resi  20 and name H1'  and segi DNA2)
     (resi  20 and name H4'  and segi DNA2)  3.43  0.51  0.51
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H3'  and segi DNA2)  3.50  0.52  0.52
assi (resi  20 and name H1'  and segi DNA2)
     (resi  20 and name H2'  and segi DNA2)  3.05  0.46  0.46
assi (resi  20 and name H3'  and segi DNA2)
     (resi  20 and name H5'* and segi DNA2)  3.09  0.31  0.31
assi (resi  20 and name H3'  and segi DNA2)
     (resi  20 and name H4'  and segi DNA2)  2.96  0.30  0.30
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H4'  and segi DNA2)  4.39  0.66  0.66
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H5'* and segi DNA2)  4.05  0.61  0.61
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H1'  and segi DNA2)  3.59  0.54  0.54
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H2'' and segi DNA2)  3.03  0.30  0.30
assi (resi  20 and name H3'  and segi DNA2)
     (resi  20 and name H5'* and segi DNA2)  2.80  0.42  0.42
assi (resi  20 and name H1'  and segi DNA2)
     (resi  20 and name H2'' and segi DNA2)  2.76  0.28  0.28
assi (resi  20 and name H1'  and segi DNA2)
     (resi  21 and name H3'  and segi DNA2)  5.00  1.00  1.00
assi (resi  21 and name H8   and segi DNA2)
     (resi  20 and name H1'  and segi DNA2)  3.39  0.51  0.51
assi (resi  20 and name H8   and segi DNA2)
     (resi  21 and name H8   and segi DNA2)  3.85  0.58  0.58
assi (resi  20 and name H2   and segi DNA2)
     (resi  21 and name H1'  and segi DNA2)  4.22  0.63  0.63
assi (resi  21 and name H8   and segi DNA2)
     (resi  20 and name H2'' and segi DNA2)  2.74  0.41  0.41
assi (resi  21 and name H8   and segi DNA2)
     (resi  20 and name H4'  and segi DNA2)  4.78  0.96  0.96
assi (resi  20 and name H1'  and segi DNA2)
     (resi  21 and name H1'  and segi DNA2)  4.75  0.71  0.71
assi (resi  20 and name H2   and segi DNA2)
     (resi  31 and name H6#  and segi CALI)  5.50  1.65  1.65
assi (resi  20 and name H2   and segi DNA2)
     (resi  32 and name H22  and segi CALI)  3.52  0.53  0.53
assi (resi  20 and name H2   and segi DNA2)
     (resi  32 and name H1   and segi CALI)  4.32  0.65  0.65
assi (resi  20 and name H1'  and segi DNA2)
     (resi  32 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi  20 and name H2   and segi DNA2)
     (resi  32 and name H4   and segi CALI)  4.23  0.85  0.85
assi (resi  20 and name H2   and segi DNA2)
     (resi  32 and name H3   and segi CALI)  3.08  0.46  0.46
assi (resi  20 and name H3'  and segi DNA2)
     (resi  33 and name H9#  and segi CALI)  5.50  1.10  1.10
assi (resi  33 and name HX#  and segi CALI)
     (resi  20 and name H4'  and segi DNA2)  3.43  0.51  0.51
assi (resi  33 and name HX#  and segi CALI)
     (resi  20 and name H5'* and segi DNA2)  4.21  0.63  0.63
assi (resi  33 and name H9#  and segi CALI)
     (resi  20 and name H4'  and segi DNA2)  4.42  0.44  0.44
assi (resi  33 and name H9#  and segi CALI)
     (resi  20 and name H5'* and segi DNA2)  4.70  0.47  0.47
assi (resi  20 and name H5'* and segi DNA2)
     (resi  33 and name H8#  and segi CALI)  5.05  1.01  1.01
assi (resi  20 and name H4'  and segi DNA2)
     (resi  33 and name H8#  and segi CALI)  4.97  0.99  0.99
assi (resi  34 and name H2   and segi CALI)
     (resi  20 and name H4'  and segi DNA2)  3.92  0.59  0.59
assi (resi  34 and name H2   and segi CALI)
     (resi  20 and name H5'* and segi DNA2)  3.40  0.51  0.51
assi (resi  34 and name H1   and segi CALI)
     (resi  20 and name H3'  and segi DNA2)  3.93  0.59  0.59
assi (resi  34 and name H1   and segi CALI)
     (resi  20 and name H5'* and segi DNA2)  3.05  0.30  0.30
assi (resi  34 and name H1   and segi CALI)
     (resi  20 and name H5'* and segi DNA2)  2.75  0.28  0.28
assi (resi  34 and name H1   and segi CALI)
     (resi  20 and name H4'  and segi DNA2)  3.56  0.53  0.53
assi (resi  20 and name H8   and segi DNA2)
     (resi  34 and name H1   and segi CALI)  5.00  1.00  1.00
assi (resi  21 and name H8   and segi DNA2)
     (resi  21 and name H1'  and segi DNA2)  3.49  0.35  0.35
assi (resi  21 and name H1'  and segi DNA2)
     (resi  21 and name H2'' and segi DNA2)  2.73  0.41  0.41
assi (resi  21 and name H8   and segi DNA2)
     (resi  21 and name H3'  and segi DNA2)  3.55  0.36  0.36
assi (resi  21 and name H8   and segi DNA2)
     (resi  21 and name H2'' and segi DNA2)  3.06  0.31  0.31
assi (resi  21 and name H1'  and segi DNA2)
     (resi  21 and name H3'  and segi DNA2)  3.76  0.75  0.75
assi (resi  21 and name H3'  and segi DNA2)
     (resi  21 and name H2'  and segi DNA2)  2.82  0.42  0.42
assi (resi  22 and name H6   and segi DNA2)
     (resi  21 and name H2'  and segi DNA2)  3.17  0.32  0.32
assi (resi  21 and name H8   and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)  4.00  0.60  0.60
assi (resi  22 and name H6   and segi DNA2)
     (resi  21 and name H3'  and segi DNA2)  4.87  0.97  0.97
assi (resi  21 and name H8   and segi DNA2)
     (resi  22 and name H6   and segi DNA2)  4.41  0.66  0.66
assi (resi  21 and name H2'' and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)  3.89  0.58  0.58
assi (resi  22 and name H6   and segi DNA2)
     (resi  21 and name H1'  and segi DNA2)  3.50  0.35  0.35
assi (resi  21 and name H1'  and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)  4.59  0.92  0.92
assi (resi  21 and name H3'  and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)  5.50  1.10  1.10
assi (resi  21 and name H3'  and segi DNA2)
     (resi  31 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi  21 and name H1'  and segi DNA2)
     (resi  31 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi  21 and name H1'  and segi DNA2)
     (resi  32 and name H1   and segi CALI)  4.39  0.66  0.66
assi (resi  21 and name H1'  and segi DNA2)
     (resi  32 and name H6#  and segi CALI)  5.50  1.65  1.65
assi (resi  21 and name H3'  and segi DNA2)
     (resi  32 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi  32 and name H1   and segi CALI)
     (resi  21 and name H4'  and segi DNA2)  2.78  0.42  0.42
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H3'  and segi DNA2)  3.35  0.50  0.50
assi (resi  22 and name H1'  and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)  5.50  1.10  1.10
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H1'  and segi DNA2)  3.50  0.35  0.35
assi (resi  22 and name H2'  and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)  5.04  1.01  1.01
assi (resi  22 and name H3'  and segi DNA2)
     (resi  22 and name H2'  and segi DNA2)  2.86  0.43  0.43
assi (resi  22 and name H1'  and segi DNA2)
     (resi  22 and name H4'  and segi DNA2)  3.03  0.45  0.45
assi (resi  22 and name H1'  and segi DNA2)
     (resi  22 and name H2'  and segi DNA2)  2.88  0.29  0.29
assi (resi  22 and name H3'  and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)  5.50  1.10  1.10
assi (resi  22 and name H1'  and segi DNA2)
     (resi  22 and name H3'  and segi DNA2)  3.46  0.52  0.52
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H2'  and segi DNA2)  2.50  0.50  0.50
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)  3.51  0.53  0.53
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H4'  and segi DNA2)  3.88  0.78  0.78
assi (resi  22 and name H1'  and segi DNA2)
     (resi  23 and name H3'  and segi DNA2)  4.69  0.94  0.94
assi (resi  23 and name H8   and segi DNA2)
     (resi  22 and name H3'  and segi DNA2)  3.76  0.56  0.56
assi (resi  23 and name H8   and segi DNA2)
     (resi  22 and name H1'  and segi DNA2)  3.48  0.52  0.52
assi (resi  23 and name H8   and segi DNA2)
     (resi  22 and name H6   and segi DNA2)  4.18  0.84  0.84
assi (resi  23 and name H8   and segi DNA2)
     (resi  22 and name H2'  and segi DNA2)  3.21  0.32  0.32
assi (resi  23 and name H8   and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)  5.50  1.10  1.10
assi (resi  22 and name H6   and segi DNA2)
     (resi  31 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi  22 and name H3'  and segi DNA2)
     (resi  31 and name H6#  and segi CALI)  5.06  1.01  1.01
assi (resi  22 and name H1'  and segi DNA2)
     (resi  31 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi  22 and name H6   and segi DNA2)
     (resi  36 and name H5   and segi CALI)  5.00  1.00  1.00
assi (resi  36 and name H5   and segi CALI)
     (resi  22 and name H1'  and segi DNA2)  3.29  0.49  0.49
assi (resi  23 and name H8   and segi DNA2)
     (resi  23 and name H3'  and segi DNA2)  3.19  0.48  0.48
assi (resi  23 and name H3'  and segi DNA2)
     (resi  23 and name H2'  and segi DNA2)  2.61  0.26  0.26
assi (resi  23 and name H8   and segi DNA2)
     (resi  23 and name H1'  and segi DNA2)  3.36  0.50  0.50
assi (resi  23 and name H3'  and segi DNA2)
     (resi  23 and name H2'' and segi DNA2)  2.92  0.29  0.29
assi (resi  23 and name H1'  and segi DNA2)
     (resi  23 and name H3'  and segi DNA2)  3.59  0.72  0.72
assi (resi  23 and name H8   and segi DNA2)
     (resi  23 and name H2'  and segi DNA2)  2.44  0.24  0.24
assi (resi  23 and name H8   and segi DNA2)
     (resi  23 and name H4'  and segi DNA2)  3.58  0.54  0.54
assi (resi  23 and name H1'  and segi DNA2)
     (resi  23 and name H2'  and segi DNA2)  3.00  0.45  0.45
assi (resi  36 and name H5   and segi CALI)
     (resi  23 and name H3'  and segi DNA2)  4.59  0.69  0.69
assi (resi  31 and name H4   and segi CALI)
     (resi  31 and name H6#  and segi CALI)  3.28  0.33  0.33
assi (resi  31 and name H3   and segi CALI)
     (resi  31 and name H6#  and segi CALI)  4.34  0.87  0.87
assi (resi  31 and name H2   and segi CALI)
     (resi  31 and name H4   and segi CALI)  2.91  0.29  0.29
assi (resi  31 and name H2   and segi CALI)
     (resi  31 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi  32 and name H3   and segi CALI)
     (resi  31 and name H6#  and segi CALI)  4.79  0.96  0.96
assi (resi  32 and name H1   and segi CALI)
     (resi  31 and name H6#  and segi CALI)  3.65  0.55  0.55
assi (resi  32 and name H1   and segi CALI)
     (resi  31 and name H4   and segi CALI)  4.04  0.61  0.61
assi (resi  35 and name H1   and segi CALI)
     (resi  31 and name H4   and segi CALI)  3.34  0.50  0.50
assi (resi  31 and name H2   and segi CALI)
     (resi  35 and name H22  and segi CALI)  4.01  0.80  0.80
assi (resi  35 and name H1   and segi CALI)
     (resi  31 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi  31 and name H2   and segi CALI)
     (resi  35 and name H21  and segi CALI)  3.68  0.55  0.55
assi (resi  35 and name H1   and segi CALI)
     (resi  31 and name H2   and segi CALI)  2.34  0.35  0.35
assi (resi  36 and name H14  and segi CALI)
     (resi  31 and name H2   and segi CALI)  3.86  0.77  0.77
assi (resi  36 and name H1   and segi CALI)
     (resi  31 and name H2   and segi CALI)  4.16  0.62  0.62
assi (resi  36 and name H1   and segi CALI)
     (resi  31 and name H1   and segi CALI)  2.69  0.27  0.27
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H4   and segi CALI)  3.95  0.59  0.59
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H6#  and segi CALI)  4.04  0.61  0.61
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H3   and segi CALI)  3.36  0.50  0.50
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H5   and segi CALI)  2.36  0.47  0.47
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H21  and segi CALI)  2.98  0.45  0.45
assi (resi  32 and name H4   and segi CALI)
     (resi  32 and name H6#  and segi CALI)  3.72  0.56  0.56
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H22  and segi CALI)  3.27  0.49  0.49
assi (resi  33 and name HX#  and segi CALI)
     (resi  32 and name H6#  and segi CALI)  4.04  0.61  0.61
assi (resi  33 and name H8#  and segi CALI)
     (resi  32 and name H6#  and segi CALI)  5.50  1.10  1.10
assi (resi  34 and name H1   and segi CALI)
     (resi  33 and name H8#  and segi CALI)  5.50  1.10  1.10
assi (resi  34 and name H1   and segi CALI)
     (resi  33 and name H9#  and segi CALI)  4.51  0.68  0.68
assi (resi  34 and name H1   and segi CALI)
     (resi  33 and name HX#  and segi CALI)  5.00  1.00  1.00
assi (resi  33 and name H9#  and segi CALI)
     (resi  34 and name H6#  and segi CALI)  4.33  0.65  0.65
assi (resi  34 and name H3   and segi CALI)
     (resi  34 and name H6#  and segi CALI)  4.35  0.87  0.87
assi (resi  34 and name H1   and segi CALI)
     (resi  34 and name H7#  and segi CALI)  4.94  0.99  0.99
assi (resi  34 and name H1   and segi CALI)
     (resi  34 and name H6#  and segi CALI)  4.99  1.00  1.00
assi (resi  34 and name H1   and segi CALI)
     (resi  34 and name H2   and segi CALI)  2.78  0.42  0.42
assi (resi  34 and name H1   and segi CALI)
     (resi  34 and name H5   and segi CALI)  3.64  0.55  0.55
assi (resi  34 and name H5   and segi CALI)
     (resi  34 and name H6#  and segi CALI)  3.17  0.48  0.48
assi (resi  34 and name H1   and segi CALI)
     (resi  34 and name H3   and segi CALI)  3.52  0.53  0.53
assi (resi  35 and name H1   and segi CALI)
     (resi  35 and name H4   and segi CALI)  3.51  0.53  0.53
assi (resi  35 and name H4   and segi CALI)
     (resi  35 and name H6#  and segi CALI)  3.11  0.31  0.31
assi (resi  35 and name H4   and segi CALI)
     (resi  35 and name H22  and segi CALI)  3.09  0.31  0.31
assi (resi  35 and name H4   and segi CALI)
     (resi  35 and name H21  and segi CALI)  3.34  0.33  0.33
assi (resi  35 and name H4   and segi CALI)
     (resi  35 and name H7#  and segi CALI)  4.30  0.86  0.86
assi (resi  35 and name H6#  and segi CALI)
     (resi  35 and name H22  and segi CALI)  5.50  1.10  1.10
assi (resi  35 and name H1   and segi CALI)
     (resi  35 and name H22  and segi CALI)  2.71  0.27  0.27
assi (resi  35 and name H1   and segi CALI)
     (resi  35 and name H21  and segi CALI)  2.67  0.27  0.27
assi (resi  35 and name H6#  and segi CALI)
     (resi  35 and name H7#  and segi CALI)  3.47  0.52  0.52
assi (resi  36 and name H1   and segi CALI)
     (resi  35 and name H6#  and segi CALI)  4.48  0.90  1.90
assi (resi  36 and name H1   and segi CALI)
     (resi  35 and name H4   and segi CALI)  4.03  0.81  1.81
assi (resi  36 and name H14  and segi CALI)
     (resi  35 and name H1   and segi CALI)  4.80  0.72  0.72
assi (resi  36 and name H1   and segi CALI)
     (resi  35 and name H1   and segi CALI)  4.91  0.98  0.98
assi (resi  36 and name H6#  and segi CALI)
     (resi  35 and name H7#  and segi CALI)  5.24  0.79  0.79
assi (resi  36 and name H14  and segi CALI)
     (resi  36 and name H51  and segi CALI)  2.85  0.43  0.43
assi (resi  36 and name H14  and segi CALI)
     (resi  36 and name H52  and segi CALI)  2.63  0.26  0.26

! H2O Distance restraints

assi (resi  23 and name H1   and segi DNA2)
     (resi   2 and name H2   and segi DNA1)  4.61  1.38  1.38
assi (resi   5 and name H41  and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)  3.85  1.16  1.16
assi (resi   5 and name H42  and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)  4.27  1.28  1.28
assi (resi   4 and name H3   and segi DNA1)
     (resi   5 and name H5   and segi DNA1)  5.00  1.50  1.50
assi (resi  19 and name H1   and segi DNA2)
     (resi   4 and name H5#  and segi DNA1)  5.50  1.65  1.65
assi (resi   4 and name H3   and segi DNA1)
     (resi  19 and name H1   and segi DNA2)  4.01  1.20  1.20
assi (resi   4 and name H3   and segi DNA1)
     (resi  21 and name H1   and segi DNA2)  3.92  1.18  1.18
assi (resi   5 and name H41  and segi DNA1)
     (resi  20 and name H62  and segi DNA2)  4.00  1.20  1.20
assi (resi   6 and name H42  and segi DNA1)
     (resi  17 and name H62  and segi DNA2)  3.56  1.07  1.07
assi (resi  19 and name H1   and segi DNA2)
     (resi   6 and name H5   and segi DNA1)  4.47  1.34  1.34
assi (resi   7 and name H3   and segi DNA1)
     (resi   8 and name H1   and segi DNA1)  3.98  1.19  1.19
assi (resi   7 and name H3   and segi DNA1)
     (resi  18 and name H22  and segi DNA2)  3.82  1.15  1.15
assi (resi   7 and name H3   and segi DNA1)
     (resi  18 and name H21  and segi DNA2)  3.75  1.13  1.13
assi (resi   7 and name H3   and segi DNA1)
     (resi  33 and name H8#  and segi CALI)  5.50  1.65  1.65
assi (resi   8 and name H1   and segi DNA1)
     (resi  17 and name H2   and segi DNA2)  3.60  1.08  1.08
assi (resi   9 and name H1   and segi DNA1)
     (resi  16 and name H5   and segi DNA2)  4.70  1.41  1.41
assi (resi   9 and name H1   and segi DNA1)
     (resi  16 and name H42  and segi DNA2)  4.37  1.31  1.31
assi (resi   9 and name H1   and segi DNA1)
     (resi  16 and name H41  and segi DNA2)  3.86  1.16  1.16
assi (resi  15 and name H42  and segi DNA2)
     (resi  16 and name H5   and segi DNA2)  4.32  1.29  1.29
assi (resi  16 and name H42  and segi DNA2)
     (resi  15 and name H5   and segi DNA2)  4.39  1.32  1.32
assi (resi  15 and name H6   and segi DNA2)
     (resi  16 and name H41  and segi DNA2)  4.38  1.31  1.31
assi (resi  16 and name H41  and segi DNA2)
     (resi  15 and name H5   and segi DNA2)  3.72  1.12  1.12
assi (resi  18 and name H1   and segi DNA2)
     (resi  17 and name H62  and segi DNA2)  4.02  1.21  1.21
assi (resi  18 and name H1   and segi DNA2)
     (resi  17 and name H61  and segi DNA2)  3.99  1.20  1.20
assi (resi  18 and name H1   and segi DNA2)
     (resi  19 and name H1   and segi DNA2)  3.87  1.16  1.16
assi (resi  18 and name H1   and segi DNA2)
     (resi  33 and name H8#  and segi CALI)  5.27  1.58  1.58
assi (resi  18 and name H22  and segi DNA2)
     (resi  33 and name H8#  and segi CALI)  4.31  1.29  1.29
assi (resi  19 and name H1   and segi DNA2)
     (resi  20 and name H2   and segi DNA2)  4.06  1.22  1.22
assi (resi  19 and name H1   and segi DNA2)
     (resi  32 and name H3   and segi CALI)  4.22  1.27  1.27
assi (resi  19 and name H22  and segi DNA2)
     (resi  33 and name H8#  and segi CALI)  4.25  1.27  1.27
assi (resi  19 and name H1   and segi DNA2)
     (resi  33 and name H8#  and segi CALI)  4.81  1.44  1.44
assi (resi  21 and name H1   and segi DNA2)
     (resi  20 and name H62  and segi DNA2)  3.76  1.13  1.13
assi (resi  21 and name H1   and segi DNA2)
     (resi  20 and name H2   and segi DNA2)  4.53  1.36  1.36
assi (resi  22 and name H3   and segi DNA2)
     (resi  21 and name H1   and segi DNA2)  3.89  1.17  1.17
assi (resi  36 and name H1   and segi CALI)
     (resi  36 and name H11  and segi CALI)  2.50  0.50  0.50 !

! D2O qualitative distance restraints (overlap/ambiguous)

assi (resi   4 and name H6   and segi DNA1)
     (resi   5 and name H5   and segi DNA1)  3.00  1.00  1.00
assi (resi   5 and name H5   and segi DNA1)
     (resi   6 and name H5   and segi DNA1)  3.50  1.50  1.50
assi (resi   6 and name H2'  and segi DNA1)
     (resi   7 and name H6   and segi DNA1)  3.50  1.50  1.50
assi (resi   6 and name H2'' and segi DNA1)
     (resi   7 and name H6   and segi DNA1)  3.50  1.50  1.50
assi (resi   6 and name H1'  and segi DNA1)
     (resi   7 and name H6   and segi DNA1)  3.50  1.50  1.50
assi (resi   6 and name H1'  and segi DNA1)
     (resi   7 and name H5#  and segi DNA1)  3.50  1.50  2.00
assi (resi   6 and name H5   and segi DNA1)
     (resi   7 and name H5#  and segi DNA1)  3.50  1.50  2.00
assi (resi  15 and name H1'  and segi DNA2)
     (resi  16 and name H6   and segi DNA2)  3.50  1.50  1.50
assi (resi  17 and name H2'' and segi DNA2)
     (resi  18 and name H3'  and segi DNA2)  3.50  1.50  1.50
assi (resi  18 and name H8   and segi DNA2)
     (resi  19 and name H8   and segi DNA2)  3.50  1.50  1.50
assi (resi  19 and name H3'  and segi DNA2)
     (resi  20 and name H8   and segi DNA2)  3.50  1.50  1.50
assi (resi   3 and name H4'  and segi DNA1)
     (resi   3 and name H6   and segi DNA1)  3.50  1.50  1.50
assi (resi   3 and name H2'  and segi DNA1)
     (resi   3 and name H6   and segi DNA1)  3.50  1.50  1.50
assi (resi   4 and name H2'  and segi DNA1)
     (resi   4 and name H3'  and segi DNA1)  3.50  1.50  1.50
assi (resi   4 and name H2'' and segi DNA1)
     (resi   4 and name H3'  and segi DNA1)  3.50  1.50  1.50
assi (resi   4 and name H1'  and segi DNA1)
     (resi   4 and name H3'  and segi DNA1)  3.50  1.50  1.50
assi (resi   4 and name H6   and segi DNA1)
     (resi   4 and name H3'  and segi DNA1)  3.50  1.50  1.50
assi (resi   4 and name H6   and segi DNA1)
     (resi   4 and name H2'  and segi DNA1)  3.50  1.50  1.50
assi (resi   5 and name H1'  and segi DNA1)
     (resi   5 and name H2'  and segi DNA1)  3.50  1.50  1.50
assi (resi   5 and name H6   and segi DNA1)
     (resi   5 and name H2'  and segi DNA1)  3.50  1.50  1.50
assi (resi   5 and name H6   and segi DNA1)
     (resi   5 and name H2'' and segi DNA1)  3.50  1.50  1.50
assi (resi   6 and name H1'  and segi DNA1)
     (resi   6 and name H3'  and segi DNA1)  3.50  1.50  1.50
assi (resi   6 and name H6   and segi DNA1)
     (resi   6 and name H2'  and segi DNA1)  3.50  1.50  1.50
assi (resi   6 and name H6   and segi DNA1)
     (resi   6 and name H2'' and segi DNA1)  3.50  1.50  1.50
assi (resi   7 and name H6   and segi DNA1)
     (resi   7 and name H3'  and segi DNA1)  3.50  1.50  1.50
assi (resi   9 and name H8   and segi DNA1)
     (resi   9 and name H2'  and segi DNA1)  3.50  1.50  1.50
assi (resi   9 and name H8   and segi DNA1)
     (resi   9 and name H2'' and segi DNA1)  3.50  1.50  1.50
assi (resi  15 and name H6   and segi DNA2)
     (resi  15 and name H1'  and segi DNA2)  3.50  1.50  1.50
assi (resi  15 and name H6   and segi DNA2)
     (resi  15 and name H2'  and segi DNA2)  3.50  1.50  1.50
assi (resi  15 and name H6   and segi DNA2)
     (resi  15 and name H2'' and segi DNA2)  3.50  1.50  1.50
assi (resi  16 and name H6   and segi DNA2)
     (resi  16 and name H1'  and segi DNA2)  3.50  1.50  1.50
assi (resi  16 and name H6   and segi DNA2)
     (resi  16 and name H2'' and segi DNA2)  3.50  1.50  1.50
assi (resi  16 and name H6   and segi DNA2)
     (resi  16 and name H3'  and segi DNA2)  3.50  1.50  1.50
assi (resi  18 and name H8   and segi DNA2)
     (resi  18 and name H1'  and segi DNA2)  3.50  1.50  1.50
assi (resi  18 and name H8   and segi DNA2)
     (resi  18 and name H2'  and segi DNA2)  3.50  1.50  1.50
assi (resi  18 and name H8   and segi DNA2)
     (resi  18 and name H2'' and segi DNA2)  3.50  1.50  1.50
assi (resi  19 and name H8   and segi DNA2)
     (resi  19 and name H2'  and segi DNA2)  3.50  1.50  1.50
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H2'  and segi DNA2)  3.50  1.50  1.50
assi (resi  20 and name H3'  and segi DNA2)
     (resi  20 and name H2'  and segi DNA2)  3.50  1.50  1.50
assi (resi  21 and name H3'  and segi DNA2)
     (resi  21 and name H2'' and segi DNA2)  3.50  1.50  1.50
assi (resi  22 and name H3'  and segi DNA2)
     (resi  22 and name H2'' and segi DNA2)  3.50  1.50  1.50
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H2'' and segi DNA2)  3.50  1.50  1.50
assi (resi  23 and name H8   and segi DNA2)
     (resi  23 and name H2'' and segi DNA2)  3.50  1.50  1.50
assi (resi  23 and name H1'  and segi DNA2)
     (resi  23 and name H4'  and segi DNA2)  3.50  1.50  1.50
assi (resi  20 and name H8   and segi DNA2)
     (resi  19 and name H8   and segi DNA2)  3.50  1.50  1.50
assi (resi  21 and name H8   and segi DNA2)
     (resi  21 and name H4'  and segi DNA2)  3.50  1.50  1.50
assi (resi  21 and name H8   and segi DNA2)
     (resi  20 and name H3'  and segi DNA2)  3.50  1.50  1.50
assi (resi  15 and name H6   and segi DNA2)
     (resi  15 and name H4'  and segi DNA2)  3.50  1.50  1.50
assi (resi  15 and name H1'  and segi DNA2)
     (resi  15 and name H3'  and segi DNA2)  3.50  1.50  1.50
assi (resi  16 and name H6   and segi DNA2)
     (resi  15 and name H2'' and segi DNA2)  3.50  1.50  1.50
assi (resi   5 and name H6   and segi DNA1)
     (resi   5 and name H4'  and segi DNA1)  3.50  1.50  1.50
assi (resi   5 and name H6   and segi DNA1)
     (resi   4 and name H6   and segi DNA1)  3.50  1.50  1.50
assi (resi   7 and name H6   and segi DNA1)
     (resi   7 and name H4'  and segi DNA1)  3.50  1.50  1.50

! Watson-Crick Hydrogen bond restraints

assi (resi    1 and name  N3  and segi DNA1)
     (resi   23 and name  H1  and segi DNA2)  1.990 0.10 0.10
assi (resi    1 and name  H42 and segi DNA1)
     (resi   23 and name  O6  and segi DNA2)  1.950 0.10 0.10
assi (resi    1 and name  O2  and segi DNA1)
     (resi   23 and name  H22 and segi DNA2)  1.950 0.10 0.10
assi (resi    1 and name  N3  and segi DNA1)
     (resi   23 and name  N1  and segi DNA2)  2.900 0.10 0.10
assi (resi    1 and name  N4  and segi DNA1)
     (resi   23 and name  O6  and segi DNA2)  2.950 0.10 0.10
assi (resi    1 and name  O2  and segi DNA1)
     (resi   23 and name  N2  and segi DNA2)  2.950 0.10 0.10
assi (resi   22 and name  H3  and segi DNA2)
     (resi    2 and name  N1  and segi DNA1)  1.990 0.10 0.10
assi (resi   22 and name  O4  and segi DNA2)
     (resi    2 and name  H61 and segi DNA1)  1.950 0.10 0.10
assi (resi   22 and name  N3  and segi DNA2)
     (resi    2 and name  N1  and segi DNA1)  2.900 0.10 0.10
assi (resi   22 and name  O4  and segi DNA2)
     (resi    2 and name  N6  and segi DNA1)  2.950 0.10 0.10
assi (resi    3 and name  N3  and segi DNA1)
     (resi   21 and name  H1  and segi DNA2)  1.990 0.10 0.10
assi (resi    3 and name  H42 and segi DNA1)
     (resi   21 and name  O6  and segi DNA2)  1.950 0.10 0.10
assi (resi    3 and name  O2  and segi DNA1)
     (resi   21 and name  H22 and segi DNA2)  1.950 0.10 0.10
assi (resi    3 and name  N3  and segi DNA1)
     (resi   21 and name  N1  and segi DNA2)  2.900 0.10 0.10
assi (resi    3 and name  N4  and segi DNA1)
     (resi   21 and name  O6  and segi DNA2)  2.950 0.10 0.10
assi (resi    3 and name  O2  and segi DNA1)
     (resi   21 and name  N2  and segi DNA2)  2.950 0.10 0.10
assi (resi    4 and name  H3  and segi DNA1)
     (resi   20 and name  N1  and segi DNA2)  1.990 0.10 0.10
assi (resi    4 and name  O4  and segi DNA1)
     (resi   20 and name  H61 and segi DNA2)  1.950 0.10 0.10
assi (resi    4 and name  N3  and segi DNA1)
     (resi   20 and name  N1  and segi DNA2)  2.900 0.10 0.10
assi (resi    4 and name  O4  and segi DNA1)
     (resi   20 and name  N6  and segi DNA2)  2.950 0.10 0.10
assi (resi    5 and name  N3  and segi DNA1)
     (resi   19 and name  H1  and segi DNA2)  1.990 0.10 0.10
assi (resi    5 and name  H42 and segi DNA1)
     (resi   19 and name  O6  and segi DNA2)  1.950 0.10 0.10
assi (resi    5 and name  O2  and segi DNA1)
     (resi   19 and name  H22 and segi DNA2)  1.950 0.10 0.10
assi (resi    5 and name  N3  and segi DNA1)
     (resi   19 and name  N1  and segi DNA2)  2.900 0.10 0.10
assi (resi    5 and name  N4  and segi DNA1)
     (resi   19 and name  O6  and segi DNA2)  2.950 0.10 0.10
assi (resi    5 and name  O2  and segi DNA1)
     (resi   19 and name  N2  and segi DNA2)  2.950 0.10 0.10
assi (resi    6 and name  N3  and segi DNA1)
     (resi   18 and name  H1  and segi DNA2)  1.990 0.10 0.10
assi (resi    6 and name  H42 and segi DNA1)
     (resi   18 and name  O6  and segi DNA2)  1.950 0.10 0.10
assi (resi    6 and name  O2  and segi DNA1)
     (resi   18 and name  H22 and segi DNA2)  1.950 0.10 0.10
assi (resi    6 and name  N3  and segi DNA1)
     (resi   18 and name  N1  and segi DNA2)  2.900 0.10 0.10
assi (resi    6 and name  N4  and segi DNA1)
     (resi   18 and name  O6  and segi DNA2)  2.950 0.10 0.10
assi (resi    6 and name  O2  and segi DNA1)
     (resi   18 and name  N2  and segi DNA2)  2.950 0.10 0.10
assi (resi    7 and name  H3  and segi DNA1)
     (resi   17 and name  N1  and segi DNA2)  1.990 0.10 0.10
assi (resi    7 and name  O4  and segi DNA1)
     (resi   17 and name  H61 and segi DNA2)  1.950 0.10 0.10
assi (resi    7 and name  N3  and segi DNA1)
     (resi   17 and name  N1  and segi DNA2)  2.900 0.10 0.10
assi (resi    7 and name  O4  and segi DNA1)
     (resi   17 and name  N6  and segi DNA2)  2.950 0.10 0.10
assi (resi  16 and name  N3  and segi DNA2)
     (resi   8 and name  H1  and segi DNA1)  1.990 0.10 0.10
assi (resi  16 and name  H42 and segi DNA2)
     (resi   8 and name  O6  and segi DNA1)  1.950 0.10 0.10
assi (resi  16 and name  O2  and segi DNA2)
     (resi   8 and name  H22 and segi DNA1)  1.950 0.10 0.10
assi (resi  16 and name  N3  and segi DNA2)
     (resi   8 and name  N1  and segi DNA1)  2.900 0.10 0.10
assi (resi  16 and name  N4  and segi DNA2)
     (resi   8 and name  O6  and segi DNA1)  2.950 0.10 0.10
assi (resi  16 and name  O2  and segi DNA2)
     (resi   8 and name  N2  and segi DNA1)  2.950 0.10 0.10
assi (resi  15 and name  N3  and segi DNA2)
     (resi   9 and name  H1  and segi DNA1)  1.990 0.10 0.10
assi (resi  15 and name  H42 and segi DNA2)
     (resi   9 and name  O6  and segi DNA1)  1.950 0.10 0.10
assi (resi  15 and name  O2  and segi DNA2)
     (resi   9 and name  H22 and segi DNA1)  1.950 0.10 0.10
assi (resi  15 and name  N3  and segi DNA2)
     (resi   9 and name  N1  and segi DNA1)  2.900 0.10 0.10
assi (resi  15 and name  N4  and segi DNA2)
     (resi   9 and name  O6  and segi DNA1)  2.950 0.10 0.10
assi (resi  15 and name  O2  and segi DNA2)
     (resi   9 and name  N2  and segi DNA1)  2.950 0.10 0.10

! NOE volume restraints

assi (resi   1 and name H5'* and segi DNA1)
     (resi   1 and name H2'' and segi DNA1)
11.53 0.20 0.20 36.16 0.20 0.20 67.87 0.20 0.20 97.41 0.20 0.20 
assi (resi   1 and name H5'* and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)
16.99 0.15 0.15 46.86 0.15 0.15 63.44 0.15 0.15 77.35 0.15 0.15 
assi (resi   1 and name H5   and segi DNA1)
     (resi   1 and name H3'  and segi DNA1)
14.20 0.20 0.20 22.94 0.20 0.20 40.49 0.20 0.20 56.40 0.20 0.20 
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H2'' and segi DNA1)
83.73 0.15 0.15 133.20 0.15 0.15 215.70 0.15 0.15 268.40 0.15 0.15 
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H3'  and segi DNA1)
43.34 0.15 0.15 88.08 0.15 0.15 115.00 0.15 0.15 126.80 0.15 0.15 
assi (resi   1 and name H1'  and segi DNA1)
     (resi   1 and name H5'* and segi DNA1)
14.88 0.20 0.20 23.08 0.20 0.20 33.63 0.20 0.20 63.74 0.20 0.20 
assi (resi   1 and name H1'  and segi DNA1)
     (resi   1 and name H4'  and segi DNA1)
67.62 0.10 0.10 110.00 0.10 0.10 142.20 0.10 0.10 166.20 0.10 0.10 
assi (resi   1 and name H5   and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)
12.84 0.20 0.20 57.28 0.20 0.20 93.76 0.20 0.20 116.50 0.20 0.20 
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H1'  and segi DNA1)
44.01 0.10 0.10 77.70 0.10 0.10 101.00 0.10 0.10 122.90 0.10 0.10 
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H4'  and segi DNA1)
23.35 0.20 0.20 44.36 0.20 0.20 81.11 0.20 0.20 102.30 0.20 0.20 
assi (resi   1 and name H5   and segi DNA1)
     (resi   1 and name H5'* and segi DNA1)
 5.73 0.20 0.20 19.56 0.20 0.20 36.07 0.20 0.20 52.90 0.20 0.20 
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)
133.40 0.15 0.15 192.60 0.15 0.15 214.10 0.15 0.15 242.90 0.15 0.15 
assi (resi   1 and name H1'  and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)
83.38 0.10 0.10 141.10 0.10 0.10 181.70 0.10 0.10 217.20 0.10 0.10 
assi (resi   1 and name H1'  and segi DNA1)
     (resi   1 and name H2'' and segi DNA1)
218.30 0.10 0.10 359.20 0.10 0.10 429.80 0.10 0.10 466.30 0.10 0.10 
assi (resi   1 and name H3'  and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)
151.50 0.10 0.10 224.90 0.10 0.10 264.20 0.10 0.10 276.30 0.10 0.10 
assi (resi   1 and name H1'  and segi DNA1)
     (resi   1 and name H3'  and segi DNA1)
28.14 0.15 0.15 55.98 0.15 0.15 76.09 0.15 0.15 108.30 0.15 0.15 
assi (resi   1 and name H6   and segi DNA1)
     (resi   1 and name H5'* and segi DNA1)
38.15 0.10 0.10 68.94 0.10 0.10 99.00 0.10 0.10 116.90 0.10 0.10 
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H1'  and segi DNA1)
13.01 0.20 0.20 25.75 0.20 0.20 45.35 0.20 0.20 59.41 0.20 0.20 
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)
63.64 0.10 0.10 98.36 0.10 0.10 116.20 0.10 0.10 116.70 0.10 0.10 
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H2'' and segi DNA1)
48.44 0.10 0.10 78.45 0.10 0.10 107.70 0.10 0.10 123.60 0.10 0.10 
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H5   and segi DNA1)
 1.19 0.20 0.20  2.94 0.20 0.20  5.74 0.20 0.20  8.42 0.20 0.20 
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H5'* and segi DNA1)
 3.71 0.20 0.20  5.44 0.20 0.20 10.29 0.20 0.20 14.53 0.20 0.20 
assi (resi   1 and name H1'  and segi DNA1)
     (resi   2 and name H4'  and segi DNA1)
 4.74 0.20 0.20 10.29 0.20 0.20 20.57 0.20 0.20 25.11 0.20 0.20 
assi (resi   2 and name H3'  and segi DNA1)
     (resi   1 and name H2'  and segi DNA1)
 4.32 0.15 0.15  6.72 0.15 0.15 10.22 0.15 0.15 12.14 0.15 0.15 
assi (resi   1 and name H1'  and segi DNA1)
     (resi   2 and name H3'  and segi DNA1)
 3.89 0.20 0.20  9.30 0.20 0.20 13.06 0.20 0.20 21.76 0.20 0.20 
assi (resi   2 and name H3'  and segi DNA1)
     (resi   1 and name H2'' and segi DNA1)
 7.52 0.20 0.20 18.35 0.20 0.20 29.15 0.20 0.20 42.17 0.20 0.20 
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H6   and segi DNA1)
 6.11 0.15 0.15 12.15 0.15 0.15 18.83 0.15 0.15 21.04 0.15 0.15 
assi (resi   2 and name H8   and segi DNA1)
     (resi   1 and name H3'  and segi DNA1)
37.66 0.15 0.15 60.32 0.15 0.15 79.36 0.15 0.15 101.70 0.15 0.15 
assi (resi   2 and name H8   and segi DNA1)
     (resi   2 and name H3'  and segi DNA1)
34.38 0.15 0.15 73.40 0.15 0.15 106.00 0.15 0.15 138.30 0.15 0.15 
assi (resi   2 and name H8   and segi DNA1)
     (resi   2 and name H4'  and segi DNA1)
 8.54 0.20 0.20 15.71 0.20 0.20 31.83 0.20 0.20 42.30 0.20 0.20 
assi (resi   2 and name H2   and segi DNA1)
     (resi   2 and name H1'  and segi DNA1)
 7.09 0.10 0.10 12.60 0.10 0.10 17.61 0.10 0.10 20.71 0.10 0.10 
assi (resi   2 and name H1'  and segi DNA1)
     (resi   2 and name H3'  and segi DNA1)
21.47 0.15 0.15 55.48 0.15 0.15 80.60 0.15 0.15 82.92 0.15 0.15 
assi (resi   2 and name H8   and segi DNA1)
     (resi   2 and name H2'' and segi DNA1)
81.63 0.10 0.10 151.40 0.10 0.10 184.50 0.10 0.10 211.50 0.10 0.10 
assi (resi   2 and name H3'  and segi DNA1)
     (resi   2 and name H2'' and segi DNA1)
124.90 0.10 0.10 198.50 0.10 0.10 239.40 0.10 0.10 235.60 0.10 0.10 
assi (resi   2 and name H3'  and segi DNA1)
     (resi   2 and name H2'  and segi DNA1)
281.10 0.15 0.15 390.30 0.15 0.15 382.20 0.15 0.15 396.00 0.15 0.15 
assi (resi   2 and name H8   and segi DNA1)
     (resi   2 and name H1'  and segi DNA1)
19.33 0.20 0.20 49.17 0.20 0.20 76.69 0.20 0.20 100.30 0.20 0.20 
assi (resi   2 and name H1'  and segi DNA1)
     (resi   2 and name H2'' and segi DNA1)
135.20 0.10 0.10 195.60 0.10 0.10 218.90 0.10 0.10 227.60 0.10 0.10 
assi (resi   2 and name H8   and segi DNA1)
     (resi   2 and name H2'  and segi DNA1)
230.80 0.15 0.15 306.30 0.15 0.15 315.20 0.15 0.15 331.30 0.15 0.15 
assi (resi   3 and name H6   and segi DNA1)
     (resi   2 and name H4'  and segi DNA1)
 3.92 0.20 0.20 13.65 0.20 0.20 23.34 0.20 0.20 29.15 0.20 0.20 
assi (resi   3 and name H5   and segi DNA1)
     (resi   2 and name H2'' and segi DNA1)
25.42 0.15 0.15 57.28 0.15 0.15 78.94 0.15 0.15 82.03 0.15 0.15 
assi (resi   3 and name H5   and segi DNA1)
     (resi   2 and name H2'  and segi DNA1)
22.43 0.15 0.15 53.64 0.15 0.15 71.13 0.15 0.15 85.28 0.15 0.15 
assi (resi   2 and name H1'  and segi DNA1)
     (resi   3 and name H5   and segi DNA1)
 7.37 0.20 0.20 27.28 0.20 0.20 37.43 0.20 0.20 52.90 0.20 0.20 
assi (resi   2 and name H8   and segi DNA1)
     (resi   3 and name H5   and segi DNA1)
26.37 0.15 0.15 42.46 0.15 0.15 59.06 0.15 0.15 79.32 0.15 0.15 
assi (resi   2 and name H8   and segi DNA1)
     (resi   3 and name H5   and segi DNA1)
26.37 0.15 0.15 42.46 0.15 0.15 59.06 0.15 0.15 79.32 0.15 0.15 
assi (resi   2 and name H8   and segi DNA1)
     (resi   3 and name H1'  and segi DNA1)
 0.03 30.00 30.00  0.76 30.00 30.00  3.04 30.00 30.00  5.69 30.00 30.00 
assi (resi   2 and name H8   and segi DNA1)
     (resi   3 and name H6   and segi DNA1)
10.85 0.20 0.20 25.39 0.20 0.20 41.66 0.20 0.20 53.18 0.20 0.20 
assi (resi   2 and name H1'  and segi DNA1)
     (resi   3 and name H1'  and segi DNA1)
17.83 0.15 0.15 27.87 0.15 0.15 32.39 0.15 0.15 38.02 0.15 0.15 
assi (resi   3 and name H5   and segi DNA1)
     (resi   2 and name H4'  and segi DNA1)
 0.57 0.20 0.20  4.43 0.20 0.20  6.43 0.20 0.20 10.18 0.20 0.20 
assi (resi   2 and name H2   and segi DNA1)
     (resi   3 and name H1'  and segi DNA1)
26.39 0.15 0.15 48.60 0.15 0.15 55.76 0.15 0.15 69.04 0.15 0.15 
assi (resi   3 and name H6   and segi DNA1)
     (resi   2 and name H1'  and segi DNA1)
38.26 0.10 0.10 74.39 0.10 0.10 88.70 0.10 0.10 83.36 0.10 0.10 
assi (resi   3 and name H6   and segi DNA1)
     (resi   2 and name H3'  and segi DNA1)
 9.33 0.20 0.20 26.28 0.20 0.20 32.07 0.20 0.20 50.27 0.20 0.20 
assi (resi   3 and name H5   and segi DNA1)
     (resi   2 and name H3'  and segi DNA1)
 2.81 0.20 0.20  9.26 0.20 0.20 19.77 0.20 0.20 26.33 0.20 0.20 
assi (resi   2 and name H1'  and segi DNA1)
     (resi   3 and name H3'  and segi DNA1)
 5.12 0.20 0.20 11.56 0.20 0.20 18.52 0.20 0.20 30.21 0.20 0.20 
assi (resi   2 and name H1'  and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)
 0.82 0.20 0.20  4.76 0.20 0.20  9.11 0.20 0.20 15.20 0.20 0.20 
assi (resi   2 and name H8   and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)
 0.87 0.20 0.20  0.69 0.20 0.20  4.17 0.20 0.20  7.97 0.20 0.20 
assi (resi   3 and name H5   and segi DNA1)
     (resi   3 and name H2'  and segi DNA1)
10.29 0.20 0.20 20.72 0.20 0.20 35.41 0.20 0.20 48.06 0.20 0.20 
assi (resi   3 and name H3'  and segi DNA1)
     (resi   3 and name H2'  and segi DNA1)
81.73 0.10 0.10 144.80 0.10 0.10 174.10 0.10 0.10 159.30 0.10 0.10 
assi (resi   3 and name H6   and segi DNA1)
     (resi   3 and name H1'  and segi DNA1)
25.13 0.10 0.10 48.31 0.10 0.10 61.77 0.10 0.10 64.90 0.10 0.10 
assi (resi   3 and name H6   and segi DNA1)
     (resi   3 and name H2'' and segi DNA1)
21.12 0.15 0.15 64.26 0.15 0.15 76.44 0.15 0.15 100.50 0.15 0.15 
assi (resi   3 and name H1'  and segi DNA1)
     (resi   3 and name H2'' and segi DNA1)
143.70 0.15 0.15 194.30 0.15 0.15 192.00 0.15 0.15 202.00 0.15 0.15 
assi (resi   3 and name H1'  and segi DNA1)
     (resi   3 and name H5   and segi DNA1)
 6.57 0.15 0.15 14.81 0.15 0.15 16.21 0.15 0.15 23.69 0.15 0.15 
assi (resi   3 and name H1'  and segi DNA1)
     (resi   3 and name H2'  and segi DNA1)
58.13 0.10 0.10 97.49 0.10 0.10 119.10 0.10 0.10 136.30 0.10 0.10 
assi (resi   3 and name H1'  and segi DNA1)
     (resi   3 and name H3'  and segi DNA1)
20.73 0.15 0.15 45.14 0.15 0.15 58.39 0.15 0.15 71.87 0.15 0.15 
assi (resi   3 and name H6   and segi DNA1)
     (resi   3 and name H3'  and segi DNA1)
21.62 0.15 0.15 51.40 0.15 0.15 64.17 0.15 0.15 72.11 0.15 0.15 
assi (resi   4 and name H6   and segi DNA1)
     (resi   3 and name H1'  and segi DNA1)
10.12 0.15 0.15 29.07 0.15 0.15 36.96 0.15 0.15 34.28 0.15 0.15 
assi (resi   4 and name H6   and segi DNA1)
     (resi   3 and name H2'' and segi DNA1)
35.31 0.15 0.15 56.53 0.15 0.15 59.66 0.15 0.15 78.88 0.15 0.15 
assi (resi   4 and name H6   and segi DNA1)
     (resi   3 and name H2'  and segi DNA1)
91.33 0.10 0.10 161.30 0.10 0.10 166.90 0.10 0.10 157.20 0.10 0.10 
assi (resi   3 and name H1'  and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)
 7.99 0.20 0.20 19.03 0.20 0.20 28.87 0.20 0.20 55.55 0.20 0.20 
assi (resi   3 and name H3'  and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)
33.57 0.15 0.15 60.03 0.15 0.15 105.70 0.15 0.15 125.10 0.15 0.15 
assi (resi   3 and name H6   and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)
46.08 0.15 0.15 78.16 0.15 0.15 111.50 0.15 0.15 105.30 0.15 0.15 
assi (resi   3 and name H5   and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)
19.52 0.20 0.20 35.16 0.20 0.20 49.57 0.20 0.20 80.91 0.20 0.20 
assi (resi   4 and name H1'  and segi DNA1)
     (resi   4 and name H2'  and segi DNA1)
43.06 0.15 0.15 59.41 0.15 0.15 76.05 0.15 0.15 89.93 0.15 0.15 
assi (resi   4 and name H6   and segi DNA1)
     (resi   4 and name H4'  and segi DNA1)
 8.86 0.20 0.20 19.24 0.20 0.20 42.85 0.20 0.20 53.66 0.20 0.20 
assi (resi   4 and name H1'  and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)
 0.19 0.20 0.20  2.93 0.20 0.20  7.35 0.20 0.20 13.24 0.20 0.20 
assi (resi   4 and name H1'  and segi DNA1)
     (resi   4 and name H2'' and segi DNA1)
79.92 0.15 0.15 85.43 0.15 0.15 97.97 0.15 0.15 103.10 0.15 0.15 
assi (resi   4 and name H1'  and segi DNA1)
     (resi   4 and name H4'  and segi DNA1)
34.02 0.15 0.15 68.77 0.15 0.15 96.27 0.15 0.15 98.70 0.15 0.15 
assi (resi   4 and name H6   and segi DNA1)
     (resi   4 and name H1'  and segi DNA1)
21.51 0.15 0.15 45.07 0.15 0.15 61.44 0.15 0.15 69.82 0.15 0.15 
assi (resi   4 and name H6   and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)
70.03 0.15 0.15 106.50 0.15 0.15 115.50 0.15 0.15 126.70 0.15 0.15 
assi (resi   4 and name H6   and segi DNA1)
     (resi   4 and name H2'' and segi DNA1)
73.30 0.15 0.15 132.10 0.15 0.15 138.30 0.15 0.15 150.70 0.15 0.15 
assi (resi   4 and name H6   and segi DNA1)
     (resi   5 and name H5   and segi DNA1)
20.42 0.20 0.20 40.62 0.20 0.20 71.76 0.20 0.20 99.29 0.20 0.20 
assi (resi   5 and name H6   and segi DNA1)
     (resi   4 and name H1'  and segi DNA1)
21.42 0.10 0.10 38.50 0.10 0.10 54.01 0.10 0.10 57.61 0.10 0.10 
assi (resi   5 and name H5   and segi DNA1)
     (resi   4 and name H2'' and segi DNA1)
25.71 0.15 0.15 42.91 0.15 0.15 46.52 0.15 0.15 65.31 0.15 0.15 
assi (resi   4 and name H1'  and segi DNA1)
     (resi   5 and name H5   and segi DNA1)
 3.82 0.20 0.20 13.42 0.20 0.20 19.50 0.20 0.20 29.85 0.20 0.20 
assi (resi   5 and name H6   and segi DNA1)
     (resi   4 and name H2'  and segi DNA1)
24.79 0.15 0.15 45.36 0.15 0.15 83.06 0.15 0.15 89.94 0.15 0.15 
assi (resi   5 and name H5   and segi DNA1)
     (resi   4 and name H5#  and segi DNA1)
11.88 0.10 0.10 21.08 0.10 0.10 28.00 0.10 0.10 33.71 0.10 0.10 
assi (resi   5 and name H6   and segi DNA1)
     (resi   4 and name H2'' and segi DNA1)
52.63 0.10 0.10 69.26 0.10 0.10 69.31 0.10 0.10 65.72 0.10 0.10 
assi (resi   5 and name H5   and segi DNA1)
     (resi   4 and name H3'  and segi DNA1)
 7.72 0.20 0.20 14.06 0.20 0.20 19.59 0.20 0.20 33.12 0.20 0.20 
assi (resi   5 and name H5   and segi DNA1)
     (resi   4 and name H2'  and segi DNA1)
 7.34 0.20 0.20 19.78 0.20 0.20 21.93 0.20 0.20 38.88 0.20 0.20 
assi (resi   4 and name H1'  and segi DNA1)
     (resi  36 and name H4   and segi CALI)
19.37 0.15 0.15 48.55 0.15 0.15 56.61 0.15 0.15 55.33 0.15 0.15 
assi (resi   5 and name H6   and segi DNA1)
     (resi   5 and name H1'  and segi DNA1)
11.04 0.15 0.15 17.04 0.15 0.15 20.46 0.15 0.15 25.05 0.15 0.15 
assi (resi   5 and name H1'  and segi DNA1)
     (resi   5 and name H2'' and segi DNA1)
80.10 0.15 0.15 86.33 0.15 0.15 79.39 0.15 0.15 88.32 0.15 0.15 
assi (resi   5 and name H1'  and segi DNA1)
     (resi   6 and name H5   and segi DNA1)
10.18 0.20 0.20 22.11 0.20 0.20 34.37 0.20 0.20 47.40 0.20 0.20 
assi (resi   5 and name H1'  and segi DNA1)
     (resi   6 and name H3'  and segi DNA1)
 8.10 0.20 0.20 19.64 0.20 0.20 26.71 0.20 0.20 38.15 0.20 0.20 
assi (resi   5 and name H6   and segi DNA1)
     (resi   6 and name H5   and segi DNA1)
32.77 0.15 0.15 44.70 0.15 0.15 47.18 0.15 0.15 58.41 0.15 0.15 
assi (resi   6 and name H6   and segi DNA1)
     (resi   5 and name H2'' and segi DNA1)
105.60 0.15 0.15 145.00 0.15 0.15 139.60 0.15 0.15 140.20 0.15 0.15 
assi (resi   6 and name H6   and segi DNA1)
     (resi   5 and name H1'  and segi DNA1)
18.38 0.15 0.15 40.19 0.15 0.15 50.45 0.15 0.15 50.87 0.15 0.15 
assi (resi   6 and name H5   and segi DNA1)
     (resi   5 and name H2'' and segi DNA1)
41.21 0.15 0.15 81.23 0.15 0.15 91.07 0.15 0.15 122.90 0.15 0.15 
assi (resi  20 and name H2   and segi DNA2)
     (resi   5 and name H1'  and segi DNA1)
17.74 0.15 0.15 35.70 0.15 0.15 45.58 0.15 0.15 44.74 0.15 0.15 
assi (resi   5 and name H1'  and segi DNA1)
     (resi  32 and name H3   and segi CALI)
24.26 0.15 0.15 54.42 0.15 0.15 64.44 0.15 0.15 95.00 0.15 0.15 
assi (resi   5 and name H1'  and segi DNA1)
     (resi  32 and name H1   and segi CALI)
 7.41 0.15 0.15 18.25 0.15 0.15 25.74 0.15 0.15 31.30 0.15 0.15 
assi (resi   5 and name H1'  and segi DNA1)
     (resi  32 and name H6#  and segi CALI)
 0.10 30.00 30.00  2.77 30.00 30.00  6.89 30.00 30.00 14.15 30.00 30.00 
assi (resi   5 and name H1'  and segi DNA1)
     (resi  35 and name H8#  and segi CALI)
 0.77 0.20 0.20  8.88 0.20 0.20 15.08 0.20 0.20 27.21 0.20 0.20 
assi (resi   5 and name H6   and segi DNA1)
     (resi  35 and name H8#  and segi CALI)
 0.78 0.20 0.20  8.00 0.20 0.20 11.24 0.20 0.20 18.16 0.20 0.20 
assi (resi   6 and name H3'  and segi DNA1)
     (resi   6 and name H2'  and segi DNA1)
95.78 0.15 0.15 131.30 0.15 0.15 141.80 0.15 0.15 167.70 0.15 0.15 
assi (resi   6 and name H3'  and segi DNA1)
     (resi   6 and name H2'' and segi DNA1)
107.70 0.15 0.15 147.70 0.15 0.15 200.10 0.15 0.15 231.70 0.15 0.15 
assi (resi   6 and name H1'  and segi DNA1)
     (resi   6 and name H2'' and segi DNA1)
122.70 0.15 0.15 184.90 0.15 0.15 165.30 0.15 0.15 183.50 0.15 0.15 
assi (resi   6 and name H1'  and segi DNA1)
     (resi  32 and name H6#  and segi CALI)
 1.39 0.20 0.20 11.38 0.20 0.20 18.63 0.20 0.20 30.23 0.20 0.20 
assi (resi   6 and name H3'  and segi DNA1)
     (resi  32 and name H6#  and segi CALI)
27.46 0.15 0.15 76.63 0.15 0.15 93.43 0.15 0.15 135.30 0.15 0.15 
assi (resi   6 and name H1'  and segi DNA1)
     (resi  32 and name H3   and segi CALI)
24.66 0.15 0.15 52.64 0.15 0.15 61.03 0.15 0.15 64.93 0.15 0.15 
assi (resi   6 and name H6   and segi DNA1)
     (resi  32 and name H3   and segi CALI)
 5.94 0.20 0.20 17.09 0.20 0.20 25.37 0.20 0.20 41.96 0.20 0.20 
assi (resi   6 and name H1'  and segi DNA1)
     (resi  32 and name H4   and segi CALI)
34.89 0.15 0.15 55.26 0.15 0.15 77.67 0.15 0.15 82.15 0.15 0.15 
assi (resi   6 and name H1'  and segi DNA1)
     (resi  33 and name H8#  and segi CALI)
78.89 0.15 0.15 157.90 0.15 0.15 151.40 0.15 0.15 195.50 0.15 0.15 
assi (resi   6 and name H6   and segi DNA1)
     (resi  35 and name H8#  and segi CALI)
 3.61 0.20 0.20 11.08 0.20 0.20 18.01 0.20 0.20 38.81 0.20 0.20 
assi (resi   7 and name H1'  and segi DNA1)
     (resi   7 and name H3'  and segi DNA1)
18.94 0.15 0.15 54.68 0.15 0.15 81.62 0.15 0.15 92.08 0.15 0.15 
assi (resi   7 and name H6   and segi DNA1)
     (resi   7 and name H2'  and segi DNA1)
156.00 0.15 0.15 201.40 0.15 0.15 193.40 0.15 0.15 173.80 0.15 0.15 
assi (resi   7 and name H6   and segi DNA1)
     (resi   7 and name H5#  and segi DNA1)
92.06 0.15 0.15 159.50 0.15 0.15 188.00 0.15 0.15 222.10 0.15 0.15 
assi (resi   7 and name H6   and segi DNA1)
     (resi   7 and name H1'  and segi DNA1)
27.00 0.10 0.10 50.99 0.10 0.10 73.33 0.10 0.10 91.89 0.10 0.10 
assi (resi   7 and name H3'  and segi DNA1)
     (resi   7 and name H2'  and segi DNA1)
121.30 0.15 0.15 161.10 0.15 0.15 160.30 0.15 0.15 160.90 0.15 0.15 
assi (resi   7 and name H6   and segi DNA1)
     (resi   7 and name H2'' and segi DNA1)
26.59 0.15 0.15 48.98 0.15 0.15 60.20 0.15 0.15 73.95 0.15 0.15 
assi (resi   8 and name H8   and segi DNA1)
     (resi   7 and name H6   and segi DNA1)
14.87 0.20 0.20 18.67 0.20 0.20 28.16 0.20 0.20 43.51 0.20 0.20 
assi (resi   7 and name H1'  and segi DNA1)
     (resi   8 and name H3'  and segi DNA1)
 0.05 0.20 0.20  4.08 0.20 0.20  7.73 0.20 0.20 15.91 0.20 0.20 
assi (resi   8 and name H8   and segi DNA1)
     (resi   7 and name H3'  and segi DNA1)
12.57 0.20 0.20 27.96 0.20 0.20 48.35 0.20 0.20 67.63 0.20 0.20 
assi (resi   7 and name H1'  and segi DNA1)
     (resi   8 and name H4'  and segi DNA1)
 6.90 0.20 0.20 15.90 0.20 0.20 21.30 0.20 0.20 35.95 0.20 0.20 
assi (resi   8 and name H8   and segi DNA1)
     (resi   7 and name H1'  and segi DNA1)
13.54 0.15 0.15 29.26 0.15 0.15 52.67 0.15 0.15 59.34 0.15 0.15 
assi (resi   8 and name H8   and segi DNA1)
     (resi   7 and name H5#  and segi DNA1)
 1.66 0.20 0.20  2.87 0.20 0.20  9.97 0.20 0.20 15.72 0.20 0.20 
assi (resi   8 and name H8   and segi DNA1)
     (resi   7 and name H2'  and segi DNA1)
28.90 0.15 0.15 64.92 0.15 0.15 79.28 0.15 0.15 94.16 0.15 0.15 
assi (resi   7 and name H1'  and segi DNA1)
     (resi  33 and name H9#  and segi CALI)
 0.82 0.20 0.20  4.82 0.20 0.20 10.40 0.20 0.20 14.30 0.20 0.20 
assi (resi  33 and name H9#  and segi CALI)
     (resi   7 and name H4'  and segi DNA1)
36.63 0.10 0.10 61.63 0.10 0.10 77.66 0.10 0.10 87.30 0.10 0.10 
assi (resi   7 and name H1'  and segi DNA1)
     (resi  34 and name H7#  and segi CALI)
 1.00 1.00 1.00  5.44 1.00 1.00 11.43 1.00 1.00 15.26 1.00 1.00 
assi (resi   8 and name H3'  and segi DNA1)
     (resi   8 and name H2'' and segi DNA1)
148.60 0.15 0.15 262.80 0.15 0.15 269.70 0.15 0.15 288.80 0.15 0.15 
assi (resi   8 and name H8   and segi DNA1)
     (resi   8 and name H2'' and segi DNA1)
68.43 0.10 0.10 132.70 0.10 0.10 150.70 0.10 0.10 156.10 0.10 0.10 
assi (resi   8 and name H1'  and segi DNA1)
     (resi   8 and name H2'' and segi DNA1)
111.60 0.10 0.10 153.90 0.10 0.10 182.60 0.10 0.10 201.50 0.10 0.10 
assi (resi   8 and name H3'  and segi DNA1)
     (resi   8 and name H2'  and segi DNA1)
185.00 0.15 0.15 245.40 0.15 0.15 307.80 0.15 0.15 308.10 0.15 0.15 
assi (resi   8 and name H8   and segi DNA1)
     (resi   8 and name H3'  and segi DNA1)
21.24 0.20 0.20 42.14 0.20 0.20 85.14 0.20 0.20 110.70 0.20 0.20 
assi (resi   8 and name H1'  and segi DNA1)
     (resi   8 and name H4'  and segi DNA1)
45.27 0.10 0.10 61.44 0.10 0.10 72.53 0.10 0.10 75.47 0.10 0.10 
assi (resi   8 and name H8   and segi DNA1)
     (resi   8 and name H1'  and segi DNA1)
17.33 0.20 0.20 37.31 0.20 0.20 60.78 0.20 0.20 90.38 0.20 0.20 
assi (resi   8 and name H1'  and segi DNA1)
     (resi   8 and name H3'  and segi DNA1)
18.80 0.15 0.15 45.26 0.15 0.15 71.04 0.15 0.15 76.85 0.15 0.15 
assi (resi   8 and name H8   and segi DNA1)
     (resi   8 and name H4'  and segi DNA1)
 9.93 0.20 0.20 20.23 0.20 0.20 39.91 0.20 0.20 50.18 0.20 0.20 
assi (resi   8 and name H8   and segi DNA1)
     (resi   8 and name H2'  and segi DNA1)
130.90 0.10 0.10 206.00 0.10 0.10 211.70 0.10 0.10 216.30 0.10 0.10 
assi (resi   8 and name H1'  and segi DNA1)
     (resi   8 and name H2'  and segi DNA1)
69.64 0.10 0.10 133.90 0.10 0.10 181.20 0.10 0.10 195.90 0.10 0.10 
assi (resi   9 and name H8   and segi DNA1)
     (resi   8 and name H2'' and segi DNA1)
78.73 0.10 0.10 139.90 0.10 0.10 151.40 0.10 0.10 152.60 0.10 0.10 
assi (resi   9 and name H8   and segi DNA1)
     (resi   8 and name H3'  and segi DNA1)
 6.18 0.20 0.20 24.87 0.20 0.20 41.15 0.20 0.20 49.72 0.20 0.20 
assi (resi   9 and name H8   and segi DNA1)
     (resi   8 and name H1'  and segi DNA1)
 7.91 0.20 0.20 24.75 0.20 0.20 42.13 0.20 0.20 80.21 0.20 0.20 
assi (resi   8 and name H1'  and segi DNA1)
     (resi   9 and name H4'  and segi DNA1)
13.31 0.15 0.15 28.23 0.15 0.15 41.55 0.15 0.15 49.87 0.15 0.15 
assi (resi   8 and name H1'  and segi DNA1)
     (resi   9 and name H3'  and segi DNA1)
 0.29 30.00 30.00  1.39 30.00 30.00  4.84 30.00 30.00 17.26 30.00 30.00 
assi (resi   8 and name H3'  and segi DNA1)
     (resi  33 and name H9#  and segi CALI)
 6.17 0.15 0.15  3.72 0.15 0.15 10.52 0.15 0.15 16.35 0.15 0.15 
assi (resi   8 and name H1'  and segi DNA1)
     (resi  34 and name H7#  and segi CALI)
 3.10 0.20 0.20  3.62 0.20 0.20  6.09 0.20 0.20 11.02 0.20 0.20 
assi (resi   8 and name H8   and segi DNA1)
     (resi  34 and name H7#  and segi CALI)
 1.80 0.20 0.20  5.53 0.20 0.20  9.34 0.20 0.20 14.67 0.20 0.20 
assi (resi   8 and name H3'  and segi DNA1)
     (resi  34 and name H6#  and segi CALI)
 0.96 0.20 0.20  3.74 0.20 0.20  5.56 0.20 0.20 11.03 0.20 0.20 
assi (resi   8 and name H3'  and segi DNA1)
     (resi  34 and name H6#  and segi CALI)
 0.96 0.20 0.20  3.74 0.20 0.20  5.56 0.20 0.20 11.03 0.20 0.20 
assi (resi   8 and name H3'  and segi DNA1)
     (resi  34 and name H7#  and segi CALI)
 2.99 0.20 0.20 14.49 0.20 0.20 28.31 0.20 0.20 31.19 0.20 0.20 
assi (resi   9 and name H8   and segi DNA1)
     (resi   9 and name H3'  and segi DNA1)
20.61 0.20 0.20 38.33 0.20 0.20 60.20 0.20 0.20 84.23 0.20 0.20 
assi (resi   9 and name H1'  and segi DNA1)
     (resi   9 and name H3'  and segi DNA1)
18.00 0.15 0.15 38.05 0.15 0.15 53.22 0.15 0.15 66.83 0.15 0.15 
assi (resi   9 and name H1'  and segi DNA1)
     (resi   9 and name H4'  and segi DNA1)
56.15 0.15 0.15 79.05 0.15 0.15 95.16 0.15 0.15 132.50 0.15 0.15 
assi (resi   9 and name H3'  and segi DNA1)
     (resi   9 and name H2'  and segi DNA1)
71.53 0.15 0.15 96.79 0.15 0.15 105.90 0.15 0.15 115.50 0.15 0.15 
assi (resi   9 and name H8   and segi DNA1)
     (resi   9 and name H1'  and segi DNA1)
22.44 0.20 0.20 52.78 0.20 0.20 80.43 0.20 0.20 114.20 0.20 0.20 
assi (resi   9 and name H8   and segi DNA1)
     (resi   9 and name H4'  and segi DNA1)
 4.46 0.30 0.30 10.65 0.30 0.30 23.15 0.30 0.30 22.27 0.30 0.30 
assi (resi   9 and name H1'  and segi DNA1)
     (resi   9 and name H2'  and segi DNA1)
85.40 0.15 0.15 150.60 0.15 0.15 196.90 0.15 0.15 265.00 0.15 0.15 
assi (resi   9 and name H3'  and segi DNA1)
     (resi   9 and name H2'' and segi DNA1)
38.15 0.15 0.15 53.12 0.15 0.15 59.04 0.15 0.15 85.66 0.15 0.15 
assi (resi   9 and name H1'  and segi DNA1)
     (resi   9 and name H2'' and segi DNA1)
149.70 0.15 0.15 192.10 0.15 0.15 216.20 0.15 0.15 294.00 0.15 0.15 
assi (resi  15 and name H5   and segi DNA2)
     (resi  15 and name H2'  and segi DNA2)
47.41 0.20 0.20 82.91 0.20 0.20 121.40 0.20 0.20 204.10 0.20 0.20 
assi (resi  15 and name H1'  and segi DNA2)
     (resi  15 and name H2'  and segi DNA2)
106.70 0.15 0.15 175.90 0.15 0.15 256.40 0.15 0.15 285.60 0.15 0.15 
assi (resi  15 and name H6   and segi DNA2)
     (resi  15 and name H3'  and segi DNA2)
40.44 0.15 0.15 97.15 0.15 0.15 115.90 0.15 0.15 128.60 0.15 0.15 
assi (resi  15 and name H5   and segi DNA2)
     (resi  16 and name H3'  and segi DNA2)
 7.91 0.20 0.20 22.71 0.20 0.20 33.80 0.20 0.20 51.80 0.20 0.20 
assi (resi  16 and name H1'  and segi DNA2)
     (resi  16 and name H2'  and segi DNA2)
48.93 0.15 0.15 83.10 0.15 0.15 102.90 0.15 0.15 130.40 0.15 0.15 
assi (resi  16 and name H1'  and segi DNA2)
     (resi  16 and name H4'  and segi DNA2)
53.73 0.10 0.10 84.10 0.10 0.10 108.20 0.10 0.10 103.90 0.10 0.10 
assi (resi  16 and name H5   and segi DNA2)
     (resi  16 and name H2'  and segi DNA2)
38.50 0.15 0.15 82.01 0.15 0.15 122.30 0.15 0.15 140.80 0.15 0.15 
assi (resi  16 and name H3'  and segi DNA2)
     (resi  16 and name H2'  and segi DNA2)
100.20 0.10 0.10 189.30 0.10 0.10 223.50 0.10 0.10 224.20 0.10 0.10 
assi (resi  16 and name H6   and segi DNA2)
     (resi  16 and name H2'  and segi DNA2)
163.30 0.10 0.10 196.90 0.10 0.10 215.60 0.10 0.10 203.00 0.10 0.10 
assi (resi  16 and name H1'  and segi DNA2)
     (resi  16 and name H2'' and segi DNA2)
127.00 0.15 0.15 180.50 0.15 0.15 205.40 0.15 0.15 231.50 0.15 0.15 
assi (resi  16 and name H1'  and segi DNA2)
     (resi  16 and name H3'  and segi DNA2)
28.48 0.15 0.15 43.10 0.15 0.15 62.66 0.15 0.15 79.01 0.15 0.15 
assi (resi  16 and name H1'  and segi DNA2)
     (resi  17 and name H4'  and segi DNA2)
 5.52 0.15 0.15  9.58 0.15 0.15 13.66 0.15 0.15 17.24 0.15 0.15 
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H5   and segi DNA2)
 2.79 0.15 0.15  2.35 0.15 0.15  6.61 0.15 0.15  7.37 0.15 0.15 
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H6   and segi DNA2)
27.24 0.10 0.10 47.13 0.10 0.10 65.34 0.10 0.10 78.47 0.10 0.10 
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H3'  and segi DNA2)
12.06 0.10 0.10 20.91 0.10 0.10 27.53 0.10 0.10 30.41 0.10 0.10 
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H1'  and segi DNA2)
23.88 0.15 0.15 38.66 0.15 0.15 56.80 0.15 0.15 62.40 0.15 0.15 
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H2'  and segi DNA2)
19.36 0.10 0.10 30.02 0.10 0.10 39.50 0.10 0.10 44.53 0.10 0.10 
assi (resi  17 and name H8   and segi DNA2)
     (resi  16 and name H2'' and segi DNA2)
42.08 0.10 0.10 63.95 0.10 0.10 83.30 0.10 0.10 80.27 0.10 0.10 
assi (resi  17 and name H8   and segi DNA2)
     (resi  17 and name H4'  and segi DNA2)
 8.28 0.20 0.20 11.72 0.20 0.20 29.24 0.20 0.20 37.74 0.20 0.20 
assi (resi  17 and name H8   and segi DNA2)
     (resi  17 and name H1'  and segi DNA2)
17.34 0.15 0.15 45.89 0.15 0.15 66.20 0.15 0.15 84.45 0.15 0.15 
assi (resi  17 and name H1'  and segi DNA2)
     (resi  17 and name H2'' and segi DNA2)
126.40 0.10 0.10 160.20 0.10 0.10 183.60 0.10 0.10 195.80 0.10 0.10 
assi (resi  17 and name H1'  and segi DNA2)
     (resi  17 and name H3'  and segi DNA2)
19.72 0.15 0.15 46.22 0.15 0.15 67.35 0.15 0.15 86.37 0.15 0.15 
assi (resi  17 and name H2   and segi DNA2)
     (resi  17 and name H1'  and segi DNA2)
 3.50 0.15 0.15 11.77 0.15 0.15 14.54 0.15 0.15 18.46 0.15 0.15 
assi (resi  17 and name H8   and segi DNA2)
     (resi  17 and name H2'' and segi DNA2)
78.04 0.10 0.10 136.30 0.10 0.10 165.30 0.10 0.10 165.60 0.10 0.10 
assi (resi  17 and name H3'  and segi DNA2)
     (resi  17 and name H2'' and segi DNA2)
81.84 0.10 0.10 125.40 0.10 0.10 145.50 0.10 0.10 151.70 0.10 0.10 
assi (resi  17 and name H8   and segi DNA2)
     (resi  17 and name H2'  and segi DNA2)
190.20 0.10 0.10 250.80 0.10 0.10 264.40 0.10 0.10 244.20 0.10 0.10 
assi (resi  17 and name H3'  and segi DNA2)
     (resi  17 and name H2'  and segi DNA2)
156.00 0.10 0.10 196.00 0.10 0.10 204.40 0.10 0.10 188.00 0.10 0.10 
assi (resi  17 and name H8   and segi DNA2)
     (resi  17 and name H3'  and segi DNA2)
26.25 0.15 0.15 56.58 0.15 0.15 87.93 0.15 0.15 102.10 0.15 0.15 
assi (resi  17 and name H1'  and segi DNA2)
     (resi  18 and name H4'  and segi DNA2)
11.33 0.20 0.20 30.84 0.20 0.20 48.01 0.20 0.20 77.08 0.20 0.20 
assi (resi  17 and name H1'  and segi DNA2)
     (resi  18 and name H3'  and segi DNA2)
 4.02 0.20 0.20 18.85 0.20 0.20 30.39 0.20 0.20 42.56 0.20 0.20 
assi (resi  18 and name H8   and segi DNA2)
     (resi  17 and name H4'  and segi DNA2)
 4.75 0.20 0.20 13.41 0.20 0.20 20.10 0.20 0.20 29.06 0.20 0.20 
assi (resi  17 and name H1'  and segi DNA2)
     (resi  18 and name H1'  and segi DNA2)
 7.84 0.15 0.15 17.42 0.15 0.15 19.51 0.15 0.15 26.74 0.15 0.15 
assi (resi  18 and name H8   and segi DNA2)
     (resi  17 and name H2'  and segi DNA2)
69.90 0.15 0.15 118.50 0.15 0.15 133.30 0.15 0.15 172.20 0.15 0.15 
assi (resi  18 and name H8   and segi DNA2)
     (resi  17 and name H3'  and segi DNA2)
16.37 0.20 0.20 31.51 0.20 0.20 58.64 0.20 0.20 72.07 0.20 0.20 
assi (resi  18 and name H8   and segi DNA2)
     (resi  17 and name H2'' and segi DNA2)
89.32 0.15 0.15 132.40 0.15 0.15 135.60 0.15 0.15 144.00 0.15 0.15 
assi (resi  18 and name H8   and segi DNA2)
     (resi  17 and name H1'  and segi DNA2)
24.55 0.15 0.15 53.59 0.15 0.15 76.65 0.15 0.15 84.97 0.15 0.15 
assi (resi  17 and name H2   and segi DNA2)
     (resi  18 and name H1'  and segi DNA2)
12.89 0.15 0.15 20.94 0.15 0.15 25.36 0.15 0.15 30.87 0.15 0.15 
assi (resi  18 and name H1'  and segi DNA2)
     (resi  17 and name H2'  and segi DNA2)
12.58 0.15 0.15 19.57 0.15 0.15 35.42 0.15 0.15 39.06 0.15 0.15 
assi (resi  18 and name H1'  and segi DNA2)
     (resi  17 and name H2'' and segi DNA2)
 4.85 0.20 0.20  9.84 0.20 0.20 12.36 0.20 0.20 29.07 0.20 0.20 
assi (resi  18 and name H1'  and segi DNA2)
     (resi  18 and name H3'  and segi DNA2)
17.72 0.20 0.20 41.45 0.20 0.20 69.01 0.20 0.20 83.52 0.20 0.20 
assi (resi  18 and name H8   and segi DNA2)
     (resi  18 and name H3'  and segi DNA2)
20.54 0.15 0.15 47.92 0.15 0.15 67.89 0.15 0.15 77.41 0.15 0.15 
assi (resi  18 and name H3'  and segi DNA2)
     (resi  18 and name H2'* and segi DNA2)
233.70 0.15 0.15 321.80 0.15 0.15 348.90 0.15 0.15 415.80 0.15 0.15 
assi (resi  18 and name H8   and segi DNA2)
     (resi  18 and name H4'  and segi DNA2)
 7.58 0.20 0.20 21.86 0.20 0.20 29.99 0.20 0.20 45.28 0.20 0.20 
assi (resi  18 and name H1'  and segi DNA2)
     (resi  18 and name H2'* and segi DNA2)
169.20 0.10 0.10 280.30 0.10 0.10 339.90 0.10 0.10 330.10 0.10 0.10 
assi (resi  18 and name H1'  and segi DNA2)
     (resi  18 and name H4'  and segi DNA2)
55.20 0.15 0.15 74.36 0.15 0.15 83.33 0.15 0.15 96.37 0.15 0.15 
assi (resi  19 and name H8   and segi DNA2)
     (resi  18 and name H4'  and segi DNA2)
 7.65 0.15 0.15 21.25 0.15 0.15 30.51 0.15 0.15 39.11 0.15 0.15 
assi (resi  19 and name H8   and segi DNA2)
     (resi  18 and name H3'  and segi DNA2)
11.68 0.20 0.20 34.90 0.20 0.20 60.09 0.20 0.20 79.43 0.20 0.20 
assi (resi  19 and name H8   and segi DNA2)
     (resi  18 and name H1'  and segi DNA2)
111.30 0.10 0.10 160.80 0.10 0.10 178.40 0.10 0.10 180.20 0.10 0.10 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  18 and name H1'  and segi DNA2)
 4.70 0.15 0.15  7.94 0.15 0.15  7.28 0.15 0.15 13.21 0.15 0.15 
assi (resi  19 and name H8   and segi DNA2)
     (resi  18 and name H8   and segi DNA2)
12.26 0.15 0.15 20.00 0.15 0.15 31.74 0.15 0.15 36.48 0.15 0.15 
assi (resi  18 and name H1'  and segi DNA2)
     (resi  19 and name H4'  and segi DNA2)
 4.24 0.20 0.20 10.48 0.20 0.20 19.34 0.20 0.20 24.32 0.20 0.20 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  19 and name H3'  and segi DNA2)
22.93 0.15 0.15 46.67 0.15 0.15 64.16 0.15 0.15 78.57 0.15 0.15 
assi (resi  19 and name H8   and segi DNA2)
     (resi  19 and name H2'' and segi DNA2)
52.71 0.15 0.15 88.33 0.15 0.15 101.20 0.15 0.15 130.90 0.15 0.15 
assi (resi  19 and name H3'  and segi DNA2)
     (resi  19 and name H2'' and segi DNA2)
98.34 0.15 0.15 137.20 0.15 0.15 142.40 0.15 0.15 148.90 0.15 0.15 
assi (resi  19 and name H8   and segi DNA2)
     (resi  19 and name H3'  and segi DNA2)
17.31 0.15 0.15 35.74 0.15 0.15 49.84 0.15 0.15 66.38 0.15 0.15 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  19 and name H4'  and segi DNA2)
34.70 0.15 0.15 56.35 0.15 0.15 66.55 0.15 0.15 92.50 0.15 0.15 
assi (resi  19 and name H3'  and segi DNA2)
     (resi  19 and name H2'  and segi DNA2)
146.20 0.10 0.10 197.20 0.10 0.10 243.70 0.10 0.10 249.40 0.10 0.10 
assi (resi  19 and name H8   and segi DNA2)
     (resi  19 and name H1'  and segi DNA2)
18.66 0.15 0.15 50.24 0.15 0.15 69.41 0.15 0.15 80.23 0.15 0.15 
assi (resi  19 and name H8   and segi DNA2)
     (resi  19 and name H4'  and segi DNA2)
11.66 0.20 0.20 24.06 0.20 0.20 35.04 0.20 0.20 49.10 0.20 0.20 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  19 and name H2'' and segi DNA2)
160.50 0.15 0.15 175.90 0.15 0.15 216.00 0.15 0.15 211.50 0.15 0.15 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  19 and name H2'  and segi DNA2)
96.27 0.10 0.10 185.80 0.10 0.10 257.70 0.10 0.10 323.60 0.10 0.10 
assi (resi  20 and name H8   and segi DNA2)
     (resi  19 and name H3'  and segi DNA2)
13.70 0.15 0.15 29.29 0.15 0.15 40.75 0.15 0.15 52.96 0.15 0.15 
assi (resi  20 and name H8   and segi DNA2)
     (resi  19 and name H1'  and segi DNA2)
34.89 0.15 0.15 74.21 0.15 0.15 98.33 0.15 0.15 106.20 0.15 0.15 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  20 and name H3'  and segi DNA2)
 8.13 0.20 0.20 20.68 0.20 0.20 46.06 0.20 0.20 67.26 0.20 0.20 
assi (resi  20 and name H8   and segi DNA2)
     (resi  19 and name H2'' and segi DNA2)
123.60 0.15 0.15 130.30 0.15 0.15 158.30 0.15 0.15 151.00 0.15 0.15 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  20 and name H5'* and segi DNA2)
17.29 0.15 0.15 41.16 0.15 0.15 56.78 0.15 0.15 68.34 0.15 0.15 
assi (resi  20 and name H8   and segi DNA2)
     (resi  19 and name H4'  and segi DNA2)
 3.55 0.20 0.20 14.52 0.20 0.20 19.01 0.20 0.20 29.17 0.20 0.20 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  20 and name H5'* and segi DNA2)
48.39 0.15 0.15 58.53 0.15 0.15 75.56 0.15 0.15 74.15 0.15 0.15 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  20 and name H4'  and segi DNA2)
13.98 0.15 0.15 20.44 0.15 0.15 28.70 0.15 0.15 34.97 0.15 0.15 
assi (resi  19 and name H3'  and segi DNA2)
     (resi  33 and name H8#  and segi CALI)
 1.86 0.20 0.20  3.73 0.20 0.20  5.03 0.20 0.20  8.15 0.20 0.20 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  33 and name H8#  and segi CALI)
26.70 0.15 0.15 67.33 0.15 0.15 79.11 0.15 0.15 113.70 0.15 0.15 
assi (resi  19 and name H3'  and segi DNA2)
     (resi  34 and name H7#  and segi CALI)
 7.36 0.20 0.20 21.99 0.20 0.20 44.77 0.20 0.20 59.62 0.20 0.20 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  34 and name H1   and segi CALI)
 7.07 0.15 0.15 11.19 0.15 0.15 15.26 0.15 0.15 19.35 0.15 0.15 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  34 and name H7#  and segi CALI)
 2.04 0.20 0.20 13.48 0.20 0.20 18.66 0.20 0.20 27.40 0.20 0.20 
assi (resi  19 and name H4'  and segi DNA2)
     (resi  34 and name H7#  and segi CALI)
131.00 0.15 0.15 203.60 0.15 0.15 366.70 0.15 0.15 370.00 0.15 0.15 
assi (resi  19 and name H3'  and segi DNA2)
     (resi  34 and name H2   and segi CALI)
 5.35 0.20 0.20 11.58 0.20 0.20 13.48 0.20 0.20 23.94 0.20 0.20 
assi (resi  19 and name H1'  and segi DNA2)
     (resi  34 and name H2   and segi CALI)
 7.28 0.15 0.15 10.05 0.15 0.15 12.61 0.15 0.15 17.60 0.15 0.15 
assi (resi  19 and name H8   and segi DNA2)
     (resi  34 and name H7#  and segi CALI)
 5.40 0.15 0.15  6.57 0.15 0.15  8.28 0.15 0.15 11.62 0.15 0.15 
assi (resi  20 and name H3'  and segi DNA2)
     (resi  20 and name H2'' and segi DNA2)
77.07 0.10 0.10 114.00 0.10 0.10 129.40 0.10 0.10 135.70 0.10 0.10 
assi (resi  20 and name H1'  and segi DNA2)
     (resi  20 and name H3'  and segi DNA2)
30.54 0.15 0.15 48.95 0.15 0.15 71.90 0.15 0.15 85.04 0.15 0.15 
assi (resi  20 and name H1'  and segi DNA2)
     (resi  20 and name H4'  and segi DNA2)
35.27 0.15 0.15 49.95 0.15 0.15 68.93 0.15 0.15 93.20 0.15 0.15 
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H3'  and segi DNA2)
20.57 0.15 0.15 43.06 0.15 0.15 64.39 0.15 0.15 66.44 0.15 0.15 
assi (resi  20 and name H1'  and segi DNA2)
     (resi  20 and name H2'  and segi DNA2)
47.93 0.15 0.15 116.10 0.15 0.15 138.10 0.15 0.15 178.30 0.15 0.15 
assi (resi  20 and name H3'  and segi DNA2)
     (resi  20 and name H5'* and segi DNA2)
55.31 0.10 0.10 89.02 0.10 0.10 104.90 0.10 0.10 119.20 0.10 0.10 
assi (resi  20 and name H3'  and segi DNA2)
     (resi  20 and name H4'  and segi DNA2)
62.72 0.10 0.10 112.10 0.10 0.10 129.30 0.10 0.10 130.50 0.10 0.10 
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H4'  and segi DNA2)
 4.17 0.15 0.15 14.06 0.15 0.15 18.84 0.15 0.15 24.04 0.15 0.15 
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H5'* and segi DNA2)
 8.07 0.15 0.15 18.56 0.15 0.15 23.17 0.15 0.15 24.14 0.15 0.15 
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H1'  and segi DNA2)
16.08 0.15 0.15 41.12 0.15 0.15 52.56 0.15 0.15 60.89 0.15 0.15 
assi (resi  20 and name H8   and segi DNA2)
     (resi  20 and name H2'' and segi DNA2)
53.14 0.10 0.10 98.62 0.10 0.10 115.30 0.10 0.10 115.40 0.10 0.10 
assi (resi  20 and name H3'  and segi DNA2)
     (resi  20 and name H5'* and segi DNA2)
89.37 0.15 0.15 148.30 0.15 0.15 143.80 0.15 0.15 158.90 0.15 0.15 
assi (resi  20 and name H1'  and segi DNA2)
     (resi  20 and name H2'' and segi DNA2)
121.00 0.10 0.10 153.60 0.10 0.10 161.00 0.10 0.10 161.40 0.10 0.10 
assi (resi  20 and name H1'  and segi DNA2)
     (resi  21 and name H3'  and segi DNA2)
 1.65 0.20 0.20  6.09 0.20 0.20 18.32 0.20 0.20 26.94 0.20 0.20 
assi (resi  21 and name H8   and segi DNA2)
     (resi  20 and name H1'  and segi DNA2)
25.70 0.15 0.15 56.59 0.15 0.15 71.17 0.15 0.15 83.73 0.15 0.15 
assi (resi  20 and name H8   and segi DNA2)
     (resi  21 and name H8   and segi DNA2)
16.39 0.15 0.15 23.39 0.15 0.15 35.73 0.15 0.15 43.44 0.15 0.15 
assi (resi  20 and name H2   and segi DNA2)
     (resi  21 and name H1'  and segi DNA2)
 7.38 0.15 0.15 13.43 0.15 0.15 24.83 0.15 0.15 26.12 0.15 0.15 
assi (resi  21 and name H8   and segi DNA2)
     (resi  20 and name H2'' and segi DNA2)
100.40 0.15 0.15 134.70 0.15 0.15 133.70 0.15 0.15 128.90 0.15 0.15 
assi (resi  21 and name H8   and segi DNA2)
     (resi  20 and name H4'  and segi DNA2)
 4.64 0.20 0.20  7.46 0.20 0.20 11.51 0.20 0.20 16.21 0.20 0.20 
assi (resi  20 and name H1'  and segi DNA2)
     (resi  21 and name H1'  and segi DNA2)
 4.86 0.15 0.15  7.16 0.15 0.15 10.67 0.15 0.15 14.41 0.15 0.15 
assi (resi  20 and name H2   and segi DNA2)
     (resi  31 and name H6#  and segi CALI)
 0.31 30.00 30.00  1.41 30.00 30.00  5.01 30.00 30.00 10.90 30.00 30.00 
assi (resi  20 and name H2   and segi DNA2)
     (resi  32 and name H22  and segi CALI)
21.02 0.15 0.15 44.28 0.15 0.15 64.27 0.15 0.15 73.83 0.15 0.15 
assi (resi  20 and name H2   and segi DNA2)
     (resi  32 and name H1   and segi CALI)
 4.91 0.15 0.15 13.79 0.15 0.15 19.77 0.15 0.15 22.58 0.15 0.15 
assi (resi  20 and name H1'  and segi DNA2)
     (resi  32 and name H6#  and segi CALI)
 1.88 0.20 0.20  3.43 0.20 0.20 10.31 0.20 0.20 14.48 0.20 0.20 
assi (resi  20 and name H2   and segi DNA2)
     (resi  32 and name H4   and segi CALI)
 3.62 0.20 0.20 19.23 0.20 0.20 26.80 0.20 0.20 34.77 0.20 0.20 
assi (resi  20 and name H2   and segi DNA2)
     (resi  32 and name H3   and segi CALI)
62.85 0.15 0.15 82.35 0.15 0.15 119.60 0.15 0.15 130.80 0.15 0.15 
assi (resi  20 and name H3'  and segi DNA2)
     (resi  33 and name H9#  and segi CALI)
 4.85 0.20 0.20 15.76 0.20 0.20 24.74 0.20 0.20 53.58 0.20 0.20 
assi (resi  33 and name HX#  and segi CALI)
     (resi  20 and name H4'  and segi DNA2)
112.00 0.15 0.15 120.70 0.15 0.15 137.20 0.15 0.15 152.00 0.15 0.15 
assi (resi  33 and name HX#  and segi CALI)
     (resi  20 and name H5'* and segi DNA2)
33.75 0.15 0.15 41.28 0.15 0.15 54.40 0.15 0.15 75.21 0.15 0.15 
assi (resi  33 and name H9#  and segi CALI)
     (resi  20 and name H4'  and segi DNA2)
16.18 0.10 0.10 31.56 0.10 0.10 36.15 0.10 0.10 38.14 0.10 0.10 
assi (resi  33 and name H9#  and segi CALI)
     (resi  20 and name H5'* and segi DNA2)
11.76 0.10 0.10 23.22 0.10 0.10 29.65 0.10 0.10 28.70 0.10 0.10 
assi (resi  20 and name H5'* and segi DNA2)
     (resi  33 and name H8#  and segi CALI)
 4.68 0.20 0.20 20.84 0.20 0.20 24.27 0.20 0.20 35.37 0.20 0.20 
assi (resi  20 and name H4'  and segi DNA2)
     (resi  33 and name H8#  and segi CALI)
10.95 0.20 0.20 18.67 0.20 0.20 25.16 0.20 0.20 37.87 0.20 0.20 
assi (resi  34 and name H2   and segi CALI)
     (resi  20 and name H4'  and segi DNA2)
11.34 0.15 0.15 21.28 0.15 0.15 42.57 0.15 0.15 46.21 0.15 0.15 
assi (resi  34 and name H2   and segi CALI)
     (resi  20 and name H5'* and segi DNA2)
35.22 0.15 0.15 49.02 0.15 0.15 57.37 0.15 0.15 69.73 0.15 0.15 
assi (resi  34 and name H1   and segi CALI)
     (resi  20 and name H3'  and segi DNA2)
 2.87 0.15 0.15 30.43 0.15 0.15 37.50 0.15 0.15 45.17 0.15 0.15 
assi (resi  34 and name H1   and segi CALI)
     (resi  20 and name H5'* and segi DNA2)
51.70 0.10 0.10 99.42 0.10 0.10 115.90 0.10 0.10 126.70 0.10 0.10 
assi (resi  34 and name H1   and segi CALI)
     (resi  20 and name H5'* and segi DNA2)
112.30 0.10 0.10 167.60 0.10 0.10 187.10 0.10 0.10 196.70 0.10 0.10 
assi (resi  34 and name H1   and segi CALI)
     (resi  20 and name H4'  and segi DNA2)
18.18 0.15 0.15 45.81 0.15 0.15 58.62 0.15 0.15 74.52 0.15 0.15 
assi (resi  20 and name H8   and segi DNA2)
     (resi  34 and name H1   and segi CALI)
 1.07 0.20 0.20  3.10 0.20 0.20  4.47 0.20 0.20  6.55 0.20 0.20 
assi (resi  21 and name H8   and segi DNA2)
     (resi  21 and name H1'  and segi DNA2)
23.84 0.10 0.10 46.17 0.10 0.10 57.16 0.10 0.10 67.68 0.10 0.10 
assi (resi  21 and name H1'  and segi DNA2)
     (resi  21 and name H2'' and segi DNA2)
132.10 0.15 0.15 172.30 0.15 0.15 185.70 0.15 0.15 207.10 0.15 0.15 
assi (resi  21 and name H8   and segi DNA2)
     (resi  21 and name H3'  and segi DNA2)
22.31 0.10 0.10 41.34 0.10 0.10 55.89 0.10 0.10 67.61 0.10 0.10 
assi (resi  21 and name H8   and segi DNA2)
     (resi  21 and name H2'' and segi DNA2)
61.08 0.10 0.10 90.77 0.10 0.10 120.30 0.10 0.10 135.10 0.10 0.10 
assi (resi  21 and name H1'  and segi DNA2)
     (resi  21 and name H3'  and segi DNA2)
11.63 0.20 0.20 30.47 0.20 0.20 59.30 0.20 0.20 66.25 0.20 0.20 
assi (resi  21 and name H3'  and segi DNA2)
     (resi  21 and name H2'  and segi DNA2)
99.92 0.15 0.15 126.20 0.15 0.15 158.90 0.15 0.15 154.10 0.15 0.15 
assi (resi  22 and name H6   and segi DNA2)
     (resi  21 and name H2'  and segi DNA2)
50.38 0.10 0.10 67.71 0.10 0.10 82.00 0.10 0.10 84.78 0.10 0.10 
assi (resi  21 and name H8   and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)
31.36 0.15 0.15 65.24 0.15 0.15 81.41 0.15 0.15 104.10 0.15 0.15 
assi (resi  22 and name H6   and segi DNA2)
     (resi  21 and name H3'  and segi DNA2)
 0.96 0.20 0.20  9.50 0.20 0.20 16.96 0.20 0.20 22.61 0.20 0.20 
assi (resi  21 and name H8   and segi DNA2)
     (resi  22 and name H6   and segi DNA2)
 6.62 0.15 0.15 10.34 0.15 0.15 14.21 0.15 0.15 16.13 0.15 0.15 
assi (resi  21 and name H2'' and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)
43.40 0.15 0.15 70.80 0.15 0.15 101.30 0.15 0.15 127.50 0.15 0.15 
assi (resi  22 and name H6   and segi DNA2)
     (resi  21 and name H1'  and segi DNA2)
23.63 0.10 0.10 40.82 0.10 0.10 52.86 0.10 0.10 54.73 0.10 0.10 
assi (resi  21 and name H1'  and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)
13.48 0.20 0.20 30.76 0.20 0.20 50.47 0.20 0.20 67.28 0.20 0.20 
assi (resi  21 and name H3'  and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)
 3.99 0.20 0.20 10.83 0.20 0.20 20.80 0.20 0.20 34.80 0.20 0.20 
assi (resi  21 and name H3'  and segi DNA2)
     (resi  31 and name H6#  and segi CALI)
 1.11 0.20 0.20  2.73 0.20 0.20  5.74 0.20 0.20  7.09 0.20 0.20 
assi (resi  21 and name H1'  and segi DNA2)
     (resi  31 and name H6#  and segi CALI)
 2.14 0.20 0.20  9.85 0.20 0.20 17.74 0.20 0.20 25.09 0.20 0.20 
assi (resi  21 and name H1'  and segi DNA2)
     (resi  32 and name H1   and segi CALI)
 8.37 0.15 0.15  8.90 0.15 0.15 12.55 0.15 0.15 13.47 0.15 0.15 
assi (resi  21 and name H1'  and segi DNA2)
     (resi  32 and name H6#  and segi CALI)
 0.06 30.00 30.00  1.02 30.00 30.00  4.32 30.00 30.00 10.90 30.00 30.00 
assi (resi  21 and name H3'  and segi DNA2)
     (resi  32 and name H6#  and segi CALI)
 0.56 0.20 0.20  4.15 0.20 0.20  6.40 0.20 0.20 12.78 0.20 0.20 
assi (resi  32 and name H1   and segi CALI)
     (resi  21 and name H4'  and segi DNA2)
96.60 0.15 0.15 166.80 0.15 0.15 183.00 0.15 0.15 199.60 0.15 0.15 
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H3'  and segi DNA2)
29.55 0.15 0.15 61.24 0.15 0.15 77.36 0.15 0.15 94.86 0.15 0.15 
assi (resi  22 and name H1'  and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)
 0.06 0.20 0.20  3.55 0.20 0.20  9.56 0.20 0.20 16.50 0.20 0.20 
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H1'  and segi DNA2)
25.22 0.10 0.10 45.42 0.10 0.10 60.68 0.10 0.10 74.79 0.10 0.10 
assi (resi  22 and name H2'  and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)
 4.85 0.20 0.20 20.10 0.20 0.20 37.02 0.20 0.20 47.90 0.20 0.20 
assi (resi  22 and name H3'  and segi DNA2)
     (resi  22 and name H2'  and segi DNA2)
94.35 0.15 0.15 123.50 0.15 0.15 168.80 0.15 0.15 165.90 0.15 0.15 
assi (resi  22 and name H1'  and segi DNA2)
     (resi  22 and name H4'  and segi DNA2)
56.04 0.15 0.15 104.20 0.15 0.15 155.60 0.15 0.15 178.00 0.15 0.15 
assi (resi  22 and name H1'  and segi DNA2)
     (resi  22 and name H2'  and segi DNA2)
75.90 0.10 0.10 132.30 0.10 0.10 161.00 0.10 0.10 167.40 0.10 0.10 
assi (resi  22 and name H3'  and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)
 2.90 0.20 0.20  9.43 0.20 0.20 13.66 0.20 0.20 28.00 0.20 0.20 
assi (resi  22 and name H1'  and segi DNA2)
     (resi  22 and name H3'  and segi DNA2)
24.08 0.15 0.15 51.50 0.15 0.15 72.04 0.15 0.15 88.85 0.15 0.15 
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H2'  and segi DNA2)
171.30 0.20 0.20 208.80 0.20 0.20 192.80 0.20 0.20 189.60 0.20 0.20 
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)
74.94 0.15 0.15 131.60 0.15 0.15 163.40 0.15 0.15 200.00 0.15 0.15 
assi (resi  22 and name H6   and segi DNA2)
     (resi  22 and name H4'  and segi DNA2)
16.24 0.20 0.20 25.60 0.20 0.20 38.78 0.20 0.20 54.58 0.20 0.20 
assi (resi  22 and name H1'  and segi DNA2)
     (resi  23 and name H3'  and segi DNA2)
 5.40 0.20 0.20 10.25 0.20 0.20 23.87 0.20 0.20 34.98 0.20 0.20 
assi (resi  23 and name H8   and segi DNA2)
     (resi  22 and name H3'  and segi DNA2)
14.69 0.15 0.15 35.39 0.15 0.15 39.82 0.15 0.15 58.27 0.15 0.15 
assi (resi  23 and name H8   and segi DNA2)
     (resi  22 and name H1'  and segi DNA2)
25.85 0.15 0.15 46.35 0.15 0.15 68.29 0.15 0.15 82.66 0.15 0.15 
assi (resi  23 and name H8   and segi DNA2)
     (resi  22 and name H6   and segi DNA2)
 9.22 0.20 0.20 19.63 0.20 0.20 26.56 0.20 0.20 41.09 0.20 0.20 
assi (resi  23 and name H8   and segi DNA2)
     (resi  22 and name H2'  and segi DNA2)
38.20 0.10 0.10 71.81 0.10 0.10 90.78 0.10 0.10 95.89 0.10 0.10 
assi (resi  23 and name H8   and segi DNA2)
     (resi  22 and name H5#  and segi DNA2)
 0.35 0.20 0.20  2.46 0.20 0.20  5.83 0.20 0.20 10.45 0.20 0.20 
assi (resi  22 and name H6   and segi DNA2)
     (resi  31 and name H6#  and segi CALI)
 0.28 0.20 0.20  4.87 0.20 0.20  7.81 0.20 0.20 10.00 0.20 0.20 
assi (resi  22 and name H3'  and segi DNA2)
     (resi  31 and name H6#  and segi CALI)
 5.54 0.20 0.20 24.90 0.20 0.20 37.22 0.20 0.20 60.39 0.20 0.20 
assi (resi  22 and name H1'  and segi DNA2)
     (resi  31 and name H6#  and segi CALI)
 1.17 0.20 0.20  7.49 0.20 0.20 11.58 0.20 0.20 20.76 0.20 0.20 
assi (resi  36 and name H5   and segi CALI)
     (resi  22 and name H5#  and segi DNA2)
 1.00 1.00 1.00  1.00 1.00 1.00  6.30 1.00 1.00 10.73 1.00 1.00 
assi (resi  22 and name H6   and segi DNA2)
     (resi  36 and name H5   and segi CALI)
 0.60 0.20 0.20  1.30 0.20 0.20  4.29 0.20 0.20  6.76 0.20 0.20 
assi (resi  36 and name H5   and segi CALI)
     (resi  22 and name H1'  and segi DNA2)
30.44 0.15 0.15 65.21 0.15 0.15 76.61 0.15 0.15 75.88 0.15 0.15 
assi (resi  23 and name H8   and segi DNA2)
     (resi  23 and name H3'  and segi DNA2)
41.43 0.15 0.15 70.35 0.15 0.15 110.40 0.15 0.15 114.00 0.15 0.15 
assi (resi  23 and name H3'  and segi DNA2)
     (resi  23 and name H2'  and segi DNA2)
144.70 0.10 0.10 243.70 0.10 0.10 286.20 0.10 0.10 324.80 0.10 0.10 
assi (resi  23 and name H8   and segi DNA2)
     (resi  23 and name H1'  and segi DNA2)
31.02 0.15 0.15 62.40 0.15 0.15 83.82 0.15 0.15 110.70 0.15 0.15 
assi (resi  23 and name H3'  and segi DNA2)
     (resi  23 and name H2'' and segi DNA2)
78.37 0.10 0.10 127.80 0.10 0.10 169.20 0.10 0.10 202.50 0.10 0.10 
assi (resi  23 and name H1'  and segi DNA2)
     (resi  23 and name H3'  and segi DNA2)
21.41 0.20 0.20 46.48 0.20 0.20 95.08 0.20 0.20 129.30 0.20 0.20 
assi (resi  23 and name H8   and segi DNA2)
     (resi  23 and name H2'  and segi DNA2)
248.80 0.10 0.10 331.10 0.10 0.10 366.80 0.10 0.10 379.50 0.10 0.10 
assi (resi  23 and name H8   and segi DNA2)
     (resi  23 and name H4'  and segi DNA2)
24.99 0.15 0.15 38.29 0.15 0.15 67.29 0.15 0.15 84.88 0.15 0.15 
assi (resi  23 and name H1'  and segi DNA2)
     (resi  23 and name H2'  and segi DNA2)
68.54 0.15 0.15 124.80 0.15 0.15 169.00 0.15 0.15 237.10 0.15 0.15 
assi (resi  36 and name H5   and segi CALI)
     (resi  23 and name H3'  and segi DNA2)
 5.39 0.15 0.15  7.41 0.15 0.15 12.23 0.15 0.15 12.90 0.15 0.15 
assi (resi  31 and name H4   and segi CALI)
     (resi  31 and name H6#  and segi CALI)
125.50 0.10 0.10 175.80 0.10 0.10 221.10 0.10 0.10 254.80 0.10 0.10 
assi (resi  31 and name H3   and segi CALI)
     (resi  31 and name H6#  and segi CALI)
16.67 0.20 0.20 41.24 0.20 0.20 71.72 0.20 0.20 87.40 0.20 0.20 
assi (resi  31 and name H2   and segi CALI)
     (resi  31 and name H4   and segi CALI)
74.88 0.10 0.10 110.30 0.10 0.10 126.80 0.10 0.10 126.20 0.10 0.10 
assi (resi  31 and name H2   and segi CALI)
     (resi  31 and name H6#  and segi CALI)
 3.63 0.20 0.20 12.11 0.20 0.20 27.80 0.20 0.20 41.76 0.20 0.20 
assi (resi  32 and name H3   and segi CALI)
     (resi  31 and name H6#  and segi CALI)
10.99 0.20 0.20 24.52 0.20 0.20 40.20 0.20 0.20 55.48 0.20 0.20 
assi (resi  32 and name H1   and segi CALI)
     (resi  31 and name H6#  and segi CALI)
64.22 0.15 0.15 95.30 0.15 0.15 97.17 0.15 0.15 111.20 0.15 0.15 
assi (resi  32 and name H1   and segi CALI)
     (resi  31 and name H4   and segi CALI)
10.71 0.15 0.15 17.52 0.15 0.15 33.82 0.15 0.15 38.02 0.15 0.15 
assi (resi  35 and name H1   and segi CALI)
     (resi  31 and name H4   and segi CALI)
28.57 0.15 0.15 58.85 0.15 0.15 96.52 0.15 0.15 109.10 0.15 0.15 
assi (resi  31 and name H2   and segi CALI)
     (resi  35 and name H22  and segi CALI)
 8.15 0.20 0.20 31.48 0.20 0.20 46.98 0.20 0.20 74.56 0.20 0.20 
assi (resi  35 and name H1   and segi CALI)
     (resi  31 and name H6#  and segi CALI)
 1.70 0.20 0.20  5.67 0.20 0.20 17.14 0.20 0.20 28.88 0.20 0.20 
assi (resi  31 and name H2   and segi CALI)
     (resi  35 and name H21  and segi CALI)
18.36 0.15 0.15 37.57 0.15 0.15 52.70 0.15 0.15 71.87 0.15 0.15 
assi (resi  35 and name H1   and segi CALI)
     (resi  31 and name H2   and segi CALI)
258.60 0.15 0.15 301.60 0.15 0.15 288.80 0.15 0.15 237.30 0.15 0.15 
assi (resi  36 and name H14  and segi CALI)
     (resi  31 and name H2   and segi CALI)
18.60 0.20 0.20 26.25 0.20 0.20 41.03 0.20 0.20 59.40 0.20 0.20 
assi (resi  36 and name H1   and segi CALI)
     (resi  31 and name H2   and segi CALI)
 8.46 0.15 0.15 16.20 0.15 0.15 28.44 0.15 0.15 33.82 0.15 0.15 
assi (resi  36 and name H1   and segi CALI)
     (resi  31 and name H1   and segi CALI)
121.70 0.10 0.10 165.70 0.10 0.10 173.40 0.10 0.10 163.70 0.10 0.10 
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H4   and segi CALI)
11.29 0.15 0.15 20.04 0.15 0.15 33.39 0.15 0.15 35.86 0.15 0.15 
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H6#  and segi CALI)
34.90 0.15 0.15 58.66 0.15 0.15 80.32 0.15 0.15 106.10 0.15 0.15 
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H3   and segi CALI)
32.62 0.15 0.15 61.16 0.15 0.15 91.72 0.15 0.15 90.25 0.15 0.15 
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H5   and segi CALI)
247.30 0.20 0.20 245.30 0.20 0.20 247.70 0.20 0.20 247.30 0.20 0.20 
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H21  and segi CALI)
61.93 0.15 0.15 87.74 0.15 0.15 87.36 0.15 0.15 84.68 0.15 0.15 
assi (resi  32 and name H4   and segi CALI)
     (resi  32 and name H6#  and segi CALI)
54.10 0.15 0.15 95.45 0.15 0.15 108.60 0.15 0.15 142.80 0.15 0.15 
assi (resi  32 and name H1   and segi CALI)
     (resi  32 and name H22  and segi CALI)
41.18 0.15 0.15 59.22 0.15 0.15 64.33 0.15 0.15 70.43 0.15 0.15 
assi (resi  33 and name HX#  and segi CALI)
     (resi  32 and name H6#  and segi CALI)
84.06 0.15 0.15 179.30 0.15 0.15 229.00 0.15 0.15 277.80 0.15 0.15 
assi (resi  33 and name H8#  and segi CALI)
     (resi  32 and name H6#  and segi CALI)
 4.78 0.20 0.20 13.58 0.20 0.20 22.49 0.20 0.20 35.95 0.20 0.20 
assi (resi  34 and name H1   and segi CALI)
     (resi  33 and name H8#  and segi CALI)
 1.74 0.20 0.20  9.03 0.20 0.20 11.90 0.20 0.20 17.83 0.20 0.20 
assi (resi  34 and name H1   and segi CALI)
     (resi  33 and name H9#  and segi CALI)
18.49 0.15 0.15 32.11 0.15 0.15 43.85 0.15 0.15 61.82 0.15 0.15 
assi (resi  34 and name H1   and segi CALI)
     (resi  33 and name HX#  and segi CALI)
10.26 0.20 0.20 14.46 0.20 0.20 25.71 0.20 0.20 38.86 0.20 0.20 
assi (resi  33 and name H9#  and segi CALI)
     (resi  34 and name H6#  and segi CALI)
58.02 0.15 0.15 121.40 0.15 0.15 165.40 0.15 0.15 210.80 0.15 0.15 
assi (resi  34 and name H3   and segi CALI)
     (resi  34 and name H6#  and segi CALI)
22.28 0.20 0.20 52.98 0.20 0.20 100.30 0.20 0.20 154.50 0.20 0.20 
assi (resi  34 and name H1   and segi CALI)
     (resi  34 and name H7#  and segi CALI)
 9.36 0.20 0.20 30.51 0.20 0.20 47.21 0.20 0.20 82.90 0.20 0.20 
assi (resi  34 and name H1   and segi CALI)
     (resi  34 and name H6#  and segi CALI)
12.00 0.20 0.20 17.26 0.20 0.20 24.30 0.20 0.20 37.08 0.20 0.20 
assi (resi  34 and name H1   and segi CALI)
     (resi  34 and name H2   and segi CALI)
89.20 0.15 0.15 176.00 0.15 0.15 190.10 0.15 0.15 213.70 0.15 0.15 
assi (resi  34 and name H1   and segi CALI)
     (resi  34 and name H5   and segi CALI)
19.00 0.15 0.15 36.91 0.15 0.15 46.02 0.15 0.15 57.73 0.15 0.15 
assi (resi  34 and name H5   and segi CALI)
     (resi  34 and name H6#  and segi CALI)
139.70 0.15 0.15 221.70 0.15 0.15 320.80 0.15 0.15 358.00 0.15 0.15 
assi (resi  34 and name H1   and segi CALI)
     (resi  34 and name H3   and segi CALI)
23.96 0.15 0.15 50.86 0.15 0.15 67.62 0.15 0.15 97.03 0.15 0.15 
assi (resi  35 and name H1   and segi CALI)
     (resi  35 and name H4   and segi CALI)
22.10 0.15 0.15 45.57 0.15 0.15 55.63 0.15 0.15 66.54 0.15 0.15 
assi (resi  35 and name H4   and segi CALI)
     (resi  35 and name H6#  and segi CALI)
108.90 0.10 0.10 166.20 0.10 0.10 211.70 0.10 0.10 243.40 0.10 0.10 
assi (resi  35 and name H4   and segi CALI)
     (resi  35 and name H22  and segi CALI)
54.61 0.10 0.10 76.67 0.10 0.10 94.89 0.10 0.10 94.50 0.10 0.10 
assi (resi  35 and name H4   and segi CALI)
     (resi  35 and name H21  and segi CALI)
29.93 0.10 0.10 56.89 0.10 0.10 68.68 0.10 0.10 60.70 0.10 0.10 
assi (resi  35 and name H4   and segi CALI)
     (resi  35 and name H7#  and segi CALI)
18.61 0.20 0.20 45.03 0.20 0.20 76.18 0.20 0.20 96.96 0.20 0.20 
assi (resi  35 and name H6#  and segi CALI)
     (resi  35 and name H22  and segi CALI)
 0.08 0.20 0.20  6.70 0.20 0.20  8.23 0.20 0.20 18.22 0.20 0.20 
assi (resi  35 and name H1   and segi CALI)
     (resi  35 and name H22  and segi CALI)
114.20 0.10 0.10 162.30 0.10 0.10 166.00 0.10 0.10 153.40 0.10 0.10 
assi (resi  35 and name H1   and segi CALI)
     (resi  35 and name H21  and segi CALI)
126.00 0.10 0.10 170.30 0.10 0.10 170.40 0.10 0.10 169.60 0.10 0.10 
assi (resi  35 and name H6#  and segi CALI)
     (resi  35 and name H7#  and segi CALI)
130.20 0.15 0.15 292.20 0.15 0.15 375.30 0.15 0.15 431.60 0.15 0.15 
assi (resi  36 and name H1   and segi CALI)
     (resi  35 and name H6#  and segi CALI)
12.37 0.20 0.20 25.33 0.20 0.20 42.56 0.20 0.20 62.50 0.20 0.20 
assi (resi  36 and name H1   and segi CALI)
     (resi  35 and name H4   and segi CALI)
 9.44 0.20 0.20 23.44 0.20 0.20 41.24 0.20 0.20 55.22 0.20 0.20 
assi (resi  36 and name H14  and segi CALI)
     (resi  35 and name H1   and segi CALI)
 3.92 0.15 0.15  6.00 0.15 0.15 12.35 0.15 0.15 13.52 0.15 0.15 
assi (resi  36 and name H1   and segi CALI)
     (resi  35 and name H1   and segi CALI)
 1.65 0.20 0.20 10.60 0.20 0.20 15.71 0.20 0.20 25.40 0.20 0.20 
assi (resi  36 and name H6#  and segi CALI)
     (resi  35 and name H7#  and segi CALI)
22.14 0.15 0.15 34.02 0.15 0.15 63.10 0.15 0.15 75.71 0.15 0.15 
assi (resi  36 and name H14  and segi CALI)
     (resi  36 and name H51  and segi CALI)
92.26 0.15 0.15 160.10 0.15 0.15 207.30 0.15 0.15 273.00 0.15 0.15 
assi (resi  36 and name H14  and segi CALI)
     (resi  36 and name H52  and segi CALI)
131.10 0.10 0.10 240.90 0.10 0.10 291.70 0.10 0.10 324.10 0.10 0.10 

! End of file

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1   4.320 -12.084  -9.867
    2   2H5*    C   1          2H5*        C   1   2.643 -11.543 -10.269
    3    H4*    C   1           H4*        C   1   5.197 -10.365 -11.604
    4    H3*    C   1           H3*        C   1   3.581  -9.535  -9.098
    5   1H2*    C   1          1H2*        C   1   3.405  -7.393  -9.827
    6   2H2*    C   1          2H2*        C   1   5.080  -7.340 -10.526
    7    H1*    C   1           H1*        C   1   4.341  -7.863 -12.563
    8   1H4     C   1          1H4         C   1  -1.866  -5.392 -11.504
    9   2H4     C   1          2H4         C   1  -1.164  -4.349 -12.725
   10    H5     C   1           H5         C   1  -0.714  -7.196 -10.482
   11    H6     C   1           H6         C   1   1.379  -8.475 -10.429
   12    H5T    C   1           H5*        C   1   2.962 -12.187 -12.363
   13   1H5*    A   2          1H5*        A   2   8.306  -6.948 -11.799
   14   2H5*    A   2          2H5*        A   2   9.472  -7.710 -10.686
   15    H4*    A   2           H4*        A   2   8.910  -5.283 -10.239
   16    H3*    A   2           H3*        A   2   8.936  -7.310  -8.082
   17   1H2*    A   2          1H2*        A   2   6.734  -7.010  -7.641
   18   2H2*    A   2          2H2*        A   2   7.393  -5.649  -6.615
   19    H1*    A   2           H1*        A   2   7.090  -4.039  -8.512
   20    H8     A   2           H8         A   2   4.604  -6.681  -7.499
   21   1H6     A   2          1H6         A   2   0.071  -3.027  -9.462
   22   2H6     A   2          2H6         A   2   0.498  -4.536  -8.686
   23    H2     A   2           H2         A   2   4.004  -0.823 -10.070
   24   1H5*    C   3          1H5*        C   3  10.339  -2.780  -8.595
   25   2H5*    C   3          2H5*        C   3  11.403  -1.760  -7.585
   26    H4*    C   3           H4*        C   3   9.324  -0.594  -8.056
   27    H3*    C   3           H3*        C   3   9.595  -1.586  -5.167
   28   1H2*    C   3          1H2*        C   3   7.425  -0.733  -4.707
   29   2H2*    C   3          2H2*        C   3   7.625   0.676  -5.815
   30    H1*    C   3           H1*        C   3   6.681  -0.546  -7.629
   31   1H4     C   3          1H4         C   3   2.825  -5.067  -4.568
   32   2H4     C   3          2H4         C   3   1.753  -3.956  -5.396
   33    H5     C   3           H5         C   3   5.199  -4.860  -4.622
   34    H6     C   3           H6         C   3   7.098  -3.460  -5.427
   35   1H5*    T   4          1H5*        T   4   8.896   2.922  -5.672
   36   2H5*    T   4          2H5*        T   4   9.905   4.006  -4.657
   37    H4*    T   4           H4*        T   4   7.528   4.658  -4.544
   38    H3*    T   4           H3*        T   4   9.022   3.926  -2.090
   39   1H2*    T   4          1H2*        T   4   7.731   2.184  -1.659
   40   2H2*    T   4          2H2*        T   4   6.675   3.403  -0.864
   41    H1*    T   4           H1*        T   4   5.232   3.569  -3.030
   42    H3     T   4           H3         T   4   2.466  -0.174  -2.969
   43   1H5M    T   4          1H5M        T   4   7.409  -2.163  -2.998
   44   2H5M    T   4          2H5M        T   4   6.930  -2.176  -1.262
   45   3H5M    T   4          3H5M        T   4   6.008  -3.149  -2.461
   46    H6     T   4           H6         T   4   7.216   0.430  -2.558
   47   1H5*    C   5          1H5*        C   5   4.257   5.799  -2.547
   48   2H5*    C   5          2H5*        C   5   4.506   7.434  -1.866
   49    H4*    C   5           H4*        C   5   2.266   6.889  -1.297
   50    H3*    C   5           H3*        C   5   4.089   6.965   1.008
   51   1H2*    C   5          1H2*        C   5   3.793   4.886   1.733
   52   2H2*    C   5          2H2*        C   5   2.179   5.351   2.289
   53    H1*    C   5           H1*        C   5   1.058   4.383   0.326
   54   1H4     C   5          1H4         C   5   4.794  -1.195   0.899
   55   2H4     C   5          2H4         C   5   3.236  -1.750   0.357
   56    H5     C   5           H5         C   5   5.439   1.022   0.920
   57    H6     C   5           H6         C   5   4.699   3.397   0.733
   58   1H5*    C   6          1H5*        C   6  -0.256   6.447   0.899
   59   2H5*    C   6          2H5*        C   6  -1.491   7.417   1.772
   60    H4*    C   6           H4*        C   6  -2.133   5.095   1.511
   61    H3*    C   6           H3*        C   6  -1.804   6.234   4.240
   62   1H2*    C   6          1H2*        C   6  -0.964   4.248   5.169
   63   2H2*    C   6          2H2*        C   6  -2.521   3.454   4.724
   64    H1*    C   6           H1*        C   6  -1.633   2.579   2.712
   65   1H4     C   6          1H4         C   6   4.632   0.685   3.929
   66   2H4     C   6          2H4         C   6   3.664  -0.747   3.789
   67    H5     C   6           H5         C   6   3.609   2.899   4.083
   68    H6     C   6           H6         C   6   1.446   4.146   4.066
   69   1H5*    T   7          1H5*        T   7  -6.613   4.953   6.521
   70   2H5*    T   7          2H5*        T   7  -4.845   4.682   6.444
   71    H4*    T   7           H4*        T   7  -6.682   2.845   4.761
   72    H3*    T   7           H3*        T   7  -7.013   3.098   7.650
   73   1H2*    T   7          1H2*        T   7  -4.850   2.281   8.114
   74   2H2*    T   7          2H2*        T   7  -5.835   0.727   8.100
   75    H1*    T   7           H1*        T   7  -5.155   0.348   5.710
   76    H3     T   7           H3         T   7  -0.915  -1.547   6.775
   77   1H5M    T   7          1H5M        T   7  -0.621   3.872   7.221
   78   2H5M    T   7          2H5M        T   7   0.174   2.864   8.479
   79   3H5M    T   7          3H5M        T   7   0.801   2.860   6.793
   80    H6     T   7           H6         T   7  -2.827   2.875   6.959
   81   1H5*    G   8          1H5*        G   8  -6.738  -1.424   7.109
   82   2H5*    G   8          2H5*        G   8  -8.304  -1.846   6.445
   83    H4*    G   8           H4*        G   8  -8.227  -3.871   7.481
   84    H3*    G   8           H3*        G   8  -8.912  -2.609   9.848
   85   1H2*    G   8          1H2*        G   8  -6.724  -2.090  10.485
   86   2H2*    G   8          2H2*        G   8  -6.863  -3.669  11.320
   87    H1*    G   8           H1*        G   8  -5.651  -4.848   9.542
   88    H8     G   8           H8         G   8  -5.333  -1.141   9.053
   89    H1     G   8           H1         G   8   0.320  -3.719  10.592
   90   1H2     G   8          1H2         G   8  -1.311  -6.693  10.568
   91   2H2     G   8          2H2         G   8   0.173  -5.795  10.855
   92   1H5*    G   9          1H5*        G   9  -6.687  -6.658  11.207
   93   2H5*    G   9          2H5*        G   9  -7.593  -7.586  12.442
   94    H4*    G   9           H4*        G   9  -5.546  -7.305  13.391
   95    H3*    G   9           H3*        G   9  -7.663  -5.782  14.680
   96   1H2*    G   9          1H2*        G   9  -6.325  -3.544  14.234
   97   2H2*    G   9          2H2*        G   9  -5.485  -4.095  15.756
   98    H1*    G   9           H1*        G   9  -3.875  -5.385  14.446
   99    H8     G   9           H8         G   9  -5.229  -2.210  12.760
  100    H1     G   9           H1         G   9   1.024  -2.067  14.235
  101   1H2     G   9          1H2         G   9   0.549  -5.198  15.487
  102   2H2     G   9          2H2         G   9   1.563  -3.803  15.294
  103    H3T    G   9           H3T        G   9  -6.886  -6.723  16.270
  104   1H5*    C  15          1H5*        C  15   7.261  -1.402  15.942
  105   2H5*    C  15          2H5*        C  15   6.745  -1.413  17.654
  106    H4*    C  15           H4*        C  15   7.177  -3.849  17.859
  107    H3*    C  15           H3*        C  15   8.849  -3.816  15.658
  108   1H2*    C  15          1H2*        C  15   7.432  -3.175  13.952
  109   2H2*    C  15          2H2*        C  15   6.986  -4.895  13.854
  110    H1*    C  15           H1*        C  15   4.955  -4.615  14.846
  111   1H4     C  15          1H4         C  15   2.873   0.978  12.044
  112   2H4     C  15          2H4         C  15   1.560   0.432  13.074
  113    H5     C  15           H5         C  15   5.046  -0.159  12.069
  114    H6     C  15           H6         C  15   6.296  -1.925  13.001
  115    H5T    C  15           H5*        C  15   9.312  -1.528  16.532
  116   1H5*    C  16          1H5*        C  16   7.835  -8.539  13.590
  117   2H5*    C  16          2H5*        C  16   7.871  -6.744  13.470
  118    H4*    C  16           H4*        C  16   5.528  -8.616  12.696
  119    H3*    C  16           H3*        C  16   7.886  -7.615  11.157
  120   1H2*    C  16          1H2*        C  16   7.013  -5.520  11.052
  121   2H2*    C  16          2H2*        C  16   6.369  -6.178   9.538
  122    H1*    C  16           H1*        C  16   4.230  -6.878  10.837
  123   1H4     C  16          1H4         C  16   3.147  -0.581   9.591
  124   2H4     C  16          2H4         C  16   1.570  -1.233   9.990
  125    H5     C  16           H5         C  16   5.147  -1.674  10.195
  126    H6     C  16           H6         C  16   6.153  -3.714  10.966
  127   1H5*    A  17          1H5*        A  17   3.681 -10.311  10.450
  128   2H5*    A  17          2H5*        A  17   3.691 -11.841   9.521
  129    H4*    A  17           H4*        A  17   1.805 -10.709   8.654
  130    H3*    A  17           H3*        A  17   4.179 -10.718   6.791
  131   1H2*    A  17          1H2*        A  17   4.054  -8.391   6.369
  132   2H2*    A  17          2H2*        A  17   2.545  -8.758   5.516
  133    H1*    A  17           H1*        A  17   1.113  -8.330   7.320
  134    H8     A  17           H8         A  17   4.574  -6.731   7.688
  135   1H6     A  17          1H6         A  17   1.860  -1.244   7.015
  136   2H6     A  17          2H6         A  17   3.392  -2.070   7.165
  137    H2     A  17           H2         A  17  -1.354  -4.418   6.812
  138   1H5*    G  18          1H5*        G  18  -0.444 -10.150   6.664
  139   2H5*    G  18          2H5*        G  18  -1.855 -10.973   5.946
  140    H4*    G  18           H4*        G  18  -1.936  -9.166   4.728
  141    H3*    G  18           H3*        G  18   0.026 -10.894   3.183
  142   1H2*    G  18          1H2*        G  18   1.294  -9.104   2.528
  143   2H2*    G  18          2H2*        G  18  -0.109  -8.465   1.593
  144    H1*    G  18           H1*        G  18  -0.848  -7.143   3.533
  145    H8     G  18           H8         G  18   2.901  -7.890   3.486
  146    H1     G  18           H1         G  18   1.212  -1.679   3.877
  147   1H2     G  18          1H2         G  18  -1.949  -2.916   3.740
  148   2H2     G  18          2H2         G  18  -0.936  -1.480   3.813
  149   1H5*    G  19          1H5*        G  19  -3.450  -7.554   3.783
  150   2H5*    G  19          2H5*        G  19  -5.150  -8.049   3.772
  151    H4*    G  19           H4*        G  19  -5.435  -5.890   2.978
  152    H3*    G  19           H3*        G  19  -5.442  -7.675   0.665
  153   1H2*    G  19          1H2*        G  19  -3.462  -6.823  -0.230
  154   2H2*    G  19          2H2*        G  19  -4.509  -5.512  -0.840
  155    H1*    G  19           H1*        G  19  -4.017  -4.066   0.966
  156    H8     G  19           H8         G  19  -1.488  -6.880   0.979
  157    H1     G  19           H1         G  19   1.190  -1.097   0.320
  158   1H2     G  19          1H2         G  19  -1.950  -0.006   0.407
  159   2H2     G  19          2H2         G  19  -0.239   0.385   0.349
  160   1H5*    A  20          1H5*        A  20  -6.424  -2.817   1.112
  161   2H5*    A  20          2H5*        A  20  -8.019  -2.534   0.347
  162    H4*    A  20           H4*        A  20  -6.716  -0.542   0.220
  163    H3*    A  20           H3*        A  20  -7.820  -1.825  -2.096
  164   1H2*    A  20          1H2*        A  20  -5.808  -2.324  -3.090
  165   2H2*    A  20          2H2*        A  20  -5.890  -0.609  -3.679
  166    H1*    A  20           H1*        A  20  -4.477   0.183  -1.905
  167    H8     A  20           H8         A  20  -4.158  -3.610  -2.091
  168   1H6     A  20          1H6         A  20   1.907  -2.824  -2.845
  169   2H6     A  20          2H6         A  20   0.617  -3.968  -2.578
  170    H2     A  20           H2         A  20  -0.012   1.267  -2.799
  171   1H5*    G  21          1H5*        G  21  -5.876   2.288  -2.630
  172   2H5*    G  21          2H5*        G  21  -6.801   3.553  -3.498
  173    H4*    G  21           H4*        G  21  -4.462   3.626  -4.178
  174    H3*    G  21           H3*        G  21  -6.580   3.022  -6.214
  175   1H2*    G  21          1H2*        G  21  -5.451   0.969  -6.890
  176   2H2*    G  21          2H2*        G  21  -4.403   2.116  -7.803
  177    H1*    G  21           H1*        G  21  -2.825   2.265  -5.911
  178    H8     G  21           H8         G  21  -4.783  -0.985  -5.660
  179    H1     G  21           H1         G  21   1.604  -1.649  -6.279
  180   1H2     G  21          1H2         G  21   1.569   1.662  -6.927
  181   2H2     G  21          2H2         G  21   2.511   0.198  -6.764
  182   1H5*    T  22          1H5*        T  22  -4.031   6.233 -10.189
  183   2H5*    T  22          2H5*        T  22  -4.000   4.557  -9.632
  184    H4*    T  22           H4*        T  22  -1.383   6.224  -8.931
  185    H3*    T  22           H3*        T  22  -2.599   5.741 -11.663
  186   1H2*    T  22          1H2*        T  22  -2.069   3.459 -11.650
  187   2H2*    T  22          2H2*        T  22  -0.391   4.117 -12.048
  188    H1*    T  22           H1*        T  22   0.309   4.034  -9.916
  189    H3     T  22           H3         T  22   1.031  -0.606  -9.863
  190   1H5M    T  22          1H5M        T  22  -4.322   0.210  -9.451
  191   2H5M    T  22          2H5M        T  22  -3.740  -1.116 -10.536
  192   3H5M    T  22          3H5M        T  22  -3.460  -1.218  -8.761
  193    H6     T  22           H6         T  22  -2.886   2.178  -9.788
  194   1H5*    G  23          1H5*        G  23   1.762   5.575 -10.693
  195   2H5*    G  23          2H5*        G  23   2.991   6.548 -11.573
  196    H4*    G  23           H4*        G  23   3.785   4.256 -11.179
  197    H3*    G  23           H3*        G  23   3.456   5.322 -13.952
  198   1H2*    G  23          1H2*        G  23   2.231   3.410 -14.547
  199   2H2*    G  23          2H2*        G  23   3.888   2.624 -14.697
  200    H1*    G  23           H1*        G  23   3.626   1.841 -12.310
  201    H8     G  23           H8         G  23   0.285   2.652 -13.708
  202    H1     G  23           H1         G  23   1.171  -3.681 -13.126
  203   1H2     G  23          1H2         G  23   4.386  -2.932 -12.582
  204   2H2     G  23          2H2         G  23   3.146  -4.115 -12.959
  205    H3T    G  23           H3T        G  23   5.436   5.132 -12.786
  206    H1   DAG  31           H1       DAG  31   2.579   7.549  -3.309
  207    H2   DAG  31           H2       DAG  31   1.354  10.316  -3.209
  208    H3   DAG  31           H3       DAG  31   0.632   7.955  -1.442
  209    H4   DAG  31           H4       DAG  31  -0.998   9.128  -3.697
  210    H5   DAG  31           H5       DAG  31   0.410   6.426  -3.489
  211   1H6   DAG  31          1H6       DAG  31  -1.391   7.556  -5.699
  212   2H6   DAG  31          2H6       DAG  31  -0.385   6.118  -5.848
  213   3H6   DAG  31          3H6       DAG  31  -1.722   6.146  -4.715
  214    HO3  DAG  31           HO3      DAG  31  -1.019   9.337  -0.719
  215   1HN4  DAG  31           HN4      DAG  31  -2.336   8.522  -1.948
  216    H1   DSR  32           H1       DTR  32  -2.651   5.389  -2.702
  217   1H2   DSR  32          1H2       DTR  32  -0.674   4.030  -1.814
  218   2H2   DSR  32          2H2       DTR  32  -1.047   4.453  -0.209
  219    H3   DSR  32           H3       DTR  32  -1.877   2.274  -0.594
  220    H4   DSR  32           H4       DTR  32  -3.417   3.650   0.750
  221    H5   DSR  32           H5       DTR  32  -4.682   4.484  -1.903
  222   1H6   DSR  32          1H6       DTR  32  -6.002   6.074  -0.459
  223   2H6   DSR  32          2H6       DTR  32  -6.431   4.395  -0.132
  224   3H6   DSR  32          3H6       DTR  32  -5.370   5.264   0.966
  225    HO3  DSR  32           HO3      DTR  32  -2.949   1.899  -2.579
  226   1H8   HIB  33          1H8       HIB  33  -3.783  -0.113   1.904
  227   2H8   HIB  33          2H8       HIB  33  -3.871   0.907   3.341
  228   3H8   HIB  33          3H8       HIB  33  -3.799  -0.833   3.497
  229   1H9   HIB  33          1H9       HIB  33 -10.271  -0.221   4.513
  230   2H9   HIB  33          2H9       HIB  33 -10.424   1.444   3.941
  231   3H9   HIB  33          3H9       HIB  33 -11.678   0.257   3.580
  232   1HX   HIB  33          1HX       HIB  33 -10.325   2.146   1.393
  233   2HX   HIB  33          2HX       HIB  33  -9.634   2.920  -0.022
  234   3HX   HIB  33          3HX       HIB  33  -9.581   1.170   0.092
  235    H1   MRP  34           H1       MRP  34  -9.662  -2.518   2.097
  236    H2   MRP  34           H2       MRP  34  -8.149  -4.424   2.928
  237    H3   MRP  34           H3       MRP  34  -8.468  -4.133   5.217
  238    H4   MRP  34           H4       MRP  34 -11.355  -5.016   4.842
  239    H5   MRP  34           H5       MRP  34 -10.244  -2.308   5.679
  240   1H6   MRP  34          1H6       MRP  34 -13.097  -3.173   5.019
  241   2H6   MRP  34          2H6       MRP  34 -12.503  -2.726   6.621
  242   3H6   MRP  34          3H6       MRP  34 -12.557  -1.524   5.331
  243   1H7   MRP  34          1H7       MRP  34  -6.832  -6.017   5.029
  244   2H7   MRP  34          2H7       MRP  34  -7.680  -6.022   6.584
  245   3H7   MRP  34          3H7       MRP  34  -7.558  -7.503   5.646
  246    HO2  MRP  34           HO2      MRP  34  -9.767  -5.203   1.536
  247    HO4  MRP  34           HO4      MRP  34 -10.338  -5.639   6.892
  248    H1   EMP  35           H1       DTP  35   1.853  11.381  -1.273
  249   1H2   EMP  35          1H2       DTP  35   2.971  10.153   0.718
  250   2H2   EMP  35          2H2       DTP  35   3.516  11.769   0.543
  251    H3   EMP  35           H3       DTP  35   4.881   9.191  -0.417
  252    H4   EMP  35           H4       DTP  35   5.830  12.033  -0.916
  253   1H5   EMP  35          1H5       DTP  35   5.405  11.537  -3.287
  254   2H5   EMP  35          2H5       DTP  35   4.825   9.925  -2.880
  255   1H6   EMP  35          1H6       DTP  35   8.051  12.042  -2.342
  256   2H6   EMP  35          2H6       DTP  35   9.078  10.727  -1.890
  257   1H7   EMP  35          1H7       DTP  35   8.845  10.370  -4.220
  258   2H7   EMP  35          2H7       DTP  35   7.708   9.220  -3.547
  259   3H7   EMP  35          3H7       DTP  35   7.138  10.732  -4.246
  260   1H8   EMP  35          1H8       DTP  35   4.644   9.004   2.272
  261   2H8   EMP  35          2H8       DTP  35   6.070   8.350   1.437
  262   3H8   EMP  35          3H8       DTP  35   6.270   9.433   2.805
  263   1HN4  EMP  35          1H4       DTP  35   7.107   9.416  -1.271
  264   2HN4  EMP  35          2H4       DTP  35   7.543  10.670  -0.307
  265    H1   MTC  36           H1       MTC  36   5.147   8.395  -4.539
  266    H4   MTC  36           H4       MTC  36   2.307   4.006  -5.453
  267    H5   MTC  36           H5       MTC  36   1.023   4.421  -7.394
  268   1H9   MTC  36          1H9       MTC  36   4.760   9.221 -10.091
  269   2H9   MTC  36          2H9       MTC  36   4.217   7.619 -10.460
  270    H14  MTC  36           H14      MTC  36   2.006  10.883  -7.637
  271   1H15  MTC  36          1H15      MTC  36   4.124  10.855  -5.439
  272   2H15  MTC  36          2H15      MTC  36   2.437  11.370  -5.158
  273   1H16  MTC  36          1H16      MTC  36   8.556  12.898  -5.742
  274   2H16  MTC  36          2H16      MTC  36   9.129  14.035  -6.972
  275   3H16  MTC  36          3H16      MTC  36   8.299  14.633  -5.527
  276   1H18  MTC  36          1H18      MTC  36  10.678   7.216  -6.518
  277   2H18  MTC  36          2H18      MTC  36  10.598   6.021  -5.219
  278   3H18  MTC  36          3H18      MTC  36  10.096   5.568  -6.849
  279    H11  MTC  36           H11      MTC  36   6.731   7.549  -5.501
  280    HO8  MTC  36           H8       MTC  36   1.748   8.691 -10.064
   
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1   2.589 -11.572 -10.378
    2   2H5*    C   1          2H5*        C   1   3.537 -12.338 -11.690
    3    H4*    C   1           H4*        C   1   5.278 -10.561 -11.560
    4    H3*    C   1           H3*        C   1   3.657  -9.701  -9.087
    5   1H2*    C   1          1H2*        C   1   3.215  -7.680  -9.863
    6   2H2*    C   1          2H2*        C   1   4.960  -7.348 -10.297
    7    H1*    C   1           H1*        C   1   4.709  -7.971 -12.430
    8   1H4     C   1          1H4         C   1  -1.486  -5.197 -12.524
    9   2H4     C   1          2H4         C   1  -0.367  -3.995 -13.150
   10    H5     C   1           H5         C   1  -0.628  -7.193 -11.377
   11    H6     C   1           H6         C   1   1.376  -8.570 -11.021
   12    H5T    C   1           H5*        C   1   4.880 -11.783  -9.314
   13   1H5*    A   2          1H5*        A   2   8.288  -6.796 -11.793
   14   2H5*    A   2          2H5*        A   2   9.435  -7.582 -10.666
   15    H4*    A   2           H4*        A   2   9.055  -5.104 -10.297
   16    H3*    A   2           H3*        A   2   9.056  -7.059  -8.136
   17   1H2*    A   2          1H2*        A   2   6.872  -6.798  -7.696
   18   2H2*    A   2          2H2*        A   2   7.512  -5.458  -6.626
   19    H1*    A   2           H1*        A   2   7.189  -3.784  -8.448
   20    H8     A   2           H8         A   2   4.755  -6.622  -7.694
   21   1H6     A   2          1H6         A   2   0.189  -2.957  -9.594
   22   2H6     A   2          2H6         A   2   0.635  -4.531  -9.009
   23    H2     A   2           H2         A   2   4.059  -0.550  -9.743
   24   1H5*    C   3          1H5*        C   3  10.235  -2.527  -8.524
   25   2H5*    C   3          2H5*        C   3  11.396  -1.464  -7.682
   26    H4*    C   3           H4*        C   3   9.271  -0.359  -7.752
   27    H3*    C   3           H3*        C   3   9.777  -1.588  -4.982
   28   1H2*    C   3          1H2*        C   3   7.594  -0.873  -4.318
   29   2H2*    C   3          2H2*        C   3   7.701   0.653  -5.287
   30    H1*    C   3           H1*        C   3   6.747  -0.380  -7.200
   31   1H4     C   3          1H4         C   3   2.802  -5.260  -4.937
   32   2H4     C   3          2H4         C   3   1.763  -3.991  -5.533
   33    H5     C   3           H5         C   3   5.191  -4.954  -4.675
   34    H6     C   3           H6         C   3   7.120  -3.463  -5.224
   35   1H5*    T   4          1H5*        T   4   8.952   2.942  -5.650
   36   2H5*    T   4          2H5*        T   4   9.900   4.152  -4.735
   37    H4*    T   4           H4*        T   4   7.513   4.759  -4.766
   38    H3*    T   4           H3*        T   4   8.920   4.361  -2.203
   39   1H2*    T   4          1H2*        T   4   7.692   2.606  -1.611
   40   2H2*    T   4          2H2*        T   4   6.580   3.860  -0.964
   41    H1*    T   4           H1*        T   4   5.191   3.775  -3.113
   42    H3     T   4           H3         T   4   2.529  -0.054  -3.015
   43   1H5M    T   4          1H5M        T   4   6.900  -2.444  -2.839
   44   2H5M    T   4          2H5M        T   4   7.478  -1.540  -1.395
   45   3H5M    T   4          3H5M        T   4   6.029  -2.603  -1.272
   46    H6     T   4           H6         T   4   7.222   0.717  -2.321
   47   1H5*    C   5          1H5*        C   5   4.444   6.099  -2.596
   48   2H5*    C   5          2H5*        C   5   4.318   7.674  -1.777
   49    H4*    C   5           H4*        C   5   2.225   6.553  -1.365
   50    H3*    C   5           H3*        C   5   3.939   7.169   0.984
   51   1H2*    C   5          1H2*        C   5   4.116   4.972   1.621
   52   2H2*    C   5          2H2*        C   5   2.525   5.241   2.355
   53    H1*    C   5           H1*        C   5   1.342   4.322   0.285
   54   1H4     C   5          1H4         C   5   4.936  -1.364   1.107
   55   2H4     C   5          2H4         C   5   3.378  -1.879   0.539
   56    H5     C   5           H5         C   5   5.668   0.880   0.958
   57    H6     C   5           H6         C   5   4.944   3.233   0.892
   58   1H5*    C   6          1H5*        C   6  -0.668   6.418   0.865
   59   2H5*    C   6          2H5*        C   6  -1.895   7.399   1.715
   60    H4*    C   6           H4*        C   6  -2.580   5.111   1.723
   61    H3*    C   6           H3*        C   6  -1.770   6.238   4.362
   62   1H2*    C   6          1H2*        C   6  -0.959   4.177   5.188
   63   2H2*    C   6          2H2*        C   6  -2.585   3.461   4.885
   64    H1*    C   6           H1*        C   6  -1.957   2.577   2.820
   65   1H4     C   6          1H4         C   6   4.403   0.659   4.002
   66   2H4     C   6          2H4         C   6   3.446  -0.790   3.871
   67    H5     C   6           H5         C   6   3.379   2.839   4.072
   68    H6     C   6           H6         C   6   1.207   4.095   3.860
   69   1H5*    T   7          1H5*        T   7  -6.881   4.951   6.961
   70   2H5*    T   7          2H5*        T   7  -5.122   4.623   7.000
   71    H4*    T   7           H4*        T   7  -7.006   3.003   5.134
   72    H3*    T   7           H3*        T   7  -7.072   2.949   8.050
   73   1H2*    T   7          1H2*        T   7  -5.022   1.923   8.297
   74   2H2*    T   7          2H2*        T   7  -6.007   0.380   7.888
   75    H1*    T   7           H1*        T   7  -5.277   0.419   5.640
   76    H3     T   7           H3         T   7  -0.986  -1.250   6.522
   77   1H5M    T   7          1H5M        T   7  -0.931   4.104   7.492
   78   2H5M    T   7          2H5M        T   7  -0.201   3.052   8.759
   79   3H5M    T   7          3H5M        T   7   0.564   3.182   7.132
   80    H6     T   7           H6         T   7  -3.121   2.982   7.214
   81   1H5*    G   8          1H5*        G   8  -7.600  -1.579   6.805
   82   2H5*    G   8          2H5*        G   8  -9.182  -2.183   7.381
   83    H4*    G   8           H4*        G   8  -7.727  -3.850   8.056
   84    H3*    G   8           H3*        G   8  -8.576  -2.124  10.345
   85   1H2*    G   8          1H2*        G   8  -6.475  -1.485  10.853
   86   2H2*    G   8          2H2*        G   8  -6.396  -3.055  11.692
   87    H1*    G   8           H1*        G   8  -5.332  -4.118   9.594
   88    H8     G   8           H8         G   8  -4.876  -0.387   9.767
   89    H1     G   8           H1         G   8   0.624  -3.578  10.602
   90   1H2     G   8          1H2         G   8  -1.256  -6.331  10.646
   91   2H2     G   8          2H2         G   8   0.302  -5.556  10.867
   92   1H5*    G   9          1H5*        G   9  -5.803  -5.108  11.392
   93   2H5*    G   9          2H5*        G   9  -5.445  -6.513  10.337
   94    H4*    G   9           H4*        G   9  -4.918  -7.877  12.352
   95    H3*    G   9           H3*        G   9  -6.872  -6.509  13.773
   96   1H2*    G   9          1H2*        G   9  -5.396  -4.351  14.035
   97   2H2*    G   9          2H2*        G   9  -4.928  -5.250  15.536
   98    H1*    G   9           H1*        G   9  -3.021  -6.265  14.414
   99    H8     G   9           H8         G   9  -4.201  -3.043  12.691
  100    H1     G   9           H1         G   9   1.767  -2.596  14.950
  101   1H2     G   9          1H2         G   9   1.264  -5.749  16.200
  102   2H2     G   9          2H2         G   9   2.234  -4.288  16.211
  103    H3T    G   9           H3T        G   9  -4.531  -7.815  14.759
  104   1H5*    C  15          1H5*        C  15  10.217  -3.559  16.606
  105   2H5*    C  15          2H5*        C  15   9.013  -2.530  15.756
  106    H4*    C  15           H4*        C  15   8.272  -4.484  18.033
  107    H3*    C  15           H3*        C  15   8.964  -5.193  15.286
  108   1H2*    C  15          1H2*        C  15   7.102  -4.598  14.174
  109   2H2*    C  15          2H2*        C  15   6.213  -5.901  15.034
  110    H1*    C  15           H1*        C  15   5.211  -4.568  16.529
  111   1H4     C  15          1H4         C  15   3.650   0.128  12.033
  112   2H4     C  15          2H4         C  15   2.300  -0.136  13.127
  113    H5     C  15           H5         C  15   5.777  -1.111  12.355
  114    H6     C  15           H6         C  15   6.931  -2.666  13.753
  115    H5T    C  15           H5*        C  15   8.403  -1.812  17.935
  116   1H5*    C  16          1H5*        C  16   8.542  -8.466  12.896
  117   2H5*    C  16          2H5*        C  16   7.916  -6.905  13.449
  118    H4*    C  16           H4*        C  16   5.930  -9.216  13.672
  119    H3*    C  16           H3*        C  16   7.392  -8.773  11.122
  120   1H2*    C  16          1H2*        C  16   6.334  -6.911  10.584
  121   2H2*    C  16          2H2*        C  16   5.066  -8.102   9.997
  122    H1*    C  16           H1*        C  16   3.808  -7.791  12.163
  123   1H4     C  16          1H4         C  16   3.730  -1.336  10.125
  124   2H4     C  16          2H4         C  16   2.078  -1.848  10.217
  125    H5     C  16           H5         C  16   5.589  -2.787  10.736
  126    H6     C  16           H6         C  16   6.228  -5.013  11.414
  127   1H5*    A  17          1H5*        A  17   3.274  -8.971  10.415
  128   2H5*    A  17          2H5*        A  17   1.840  -9.723  11.183
  129    H4*    A  17           H4*        A  17   1.184 -10.687   8.833
  130    H3*    A  17           H3*        A  17   4.054  -9.855   8.207
  131   1H2*    A  17          1H2*        A  17   3.530  -8.090   6.741
  132   2H2*    A  17          2H2*        A  17   2.264  -8.990   5.972
  133    H1*    A  17           H1*        A  17   0.537  -8.040   7.134
  134    H8     A  17           H8         A  17   3.880  -6.580   8.295
  135   1H6     A  17          1H6         A  17   1.618  -1.056   6.854
  136   2H6     A  17          2H6         A  17   3.072  -1.943   7.214
  137    H2     A  17           H2         A  17  -1.738  -4.064   6.474
  138   1H5*    G  18          1H5*        G  18  -0.331 -10.614   6.585
  139   2H5*    G  18          2H5*        G  18  -1.081 -11.828   5.490
  140    H4*    G  18           H4*        G  18  -1.792  -9.687   4.849
  141    H3*    G  18           H3*        G  18   0.044 -11.065   2.931
  142   1H2*    G  18          1H2*        G  18   1.259  -9.125   2.505
  143   2H2*    G  18          2H2*        G  18  -0.165  -8.527   1.583
  144    H1*    G  18           H1*        G  18  -1.041  -7.370   3.643
  145    H8     G  18           H8         G  18   2.693  -8.034   3.877
  146    H1     G  18           H1         G  18   1.024  -1.785   3.699
  147   1H2     G  18          1H2         G  18  -2.130  -3.004   3.530
  148   2H2     G  18          2H2         G  18  -1.094  -1.586   3.597
  149   1H5*    G  19          1H5*        G  19  -3.754  -8.015   3.292
  150   2H5*    G  19          2H5*        G  19  -5.029  -8.868   2.362
  151    H4*    G  19           H4*        G  19  -5.642  -6.485   2.543
  152    H3*    G  19           H3*        G  19  -5.408  -7.749   0.019
  153   1H2*    G  19          1H2*        G  19  -3.397  -6.704  -0.650
  154   2H2*    G  19          2H2*        G  19  -4.489  -5.389  -1.161
  155    H1*    G  19           H1*        G  19  -4.092  -4.095   0.734
  156    H8     G  19           H8         G  19  -1.586  -6.908   1.001
  157    H1     G  19           H1         G  19   1.193  -1.173   0.284
  158   1H2     G  19          1H2         G  19  -1.930  -0.012   0.184
  159   2H2     G  19          2H2         G  19  -0.210   0.338   0.254
  160   1H5*    A  20          1H5*        A  20  -6.599  -3.051   0.553
  161   2H5*    A  20          2H5*        A  20  -8.145  -2.738  -0.322
  162    H4*    A  20           H4*        A  20  -6.758  -0.793  -0.214
  163    H3*    A  20           H3*        A  20  -7.793  -1.895  -2.671
  164   1H2*    A  20          1H2*        A  20  -5.704  -2.322  -3.639
  165   2H2*    A  20          2H2*        A  20  -5.785  -0.548  -4.042
  166    H1*    A  20           H1*        A  20  -4.458   0.057  -2.135
  167    H8     A  20           H8         A  20  -4.055  -3.696  -2.643
  168   1H6     A  20          1H6         A  20   2.049  -2.727  -2.873
  169   2H6     A  20          2H6         A  20   0.790  -3.945  -2.865
  170    H2     A  20           H2         A  20   0.037   1.278  -2.904
  171   1H5*    G  21          1H5*        G  21  -5.863   2.470  -2.661
  172   2H5*    G  21          2H5*        G  21  -6.702   3.792  -3.546
  173    H4*    G  21           H4*        G  21  -4.302   3.758  -4.124
  174    H3*    G  21           H3*        G  21  -6.384   3.342  -6.248
  175   1H2*    G  21          1H2*        G  21  -5.294   1.286  -7.008
  176   2H2*    G  21          2H2*        G  21  -4.132   2.443  -7.759
  177    H1*    G  21           H1*        G  21  -2.680   2.360  -5.831
  178    H8     G  21           H8         G  21  -4.779  -0.833  -6.013
  179    H1     G  21           H1         G  21   1.625  -1.652  -6.183
  180   1H2     G  21          1H2         G  21   1.666   1.715  -6.427
  181   2H2     G  21          2H2         G  21   2.593   0.230  -6.398
  182   1H5*    T  22          1H5*        T  22  -3.820   6.651 -10.177
  183   2H5*    T  22          2H5*        T  22  -4.158   4.966  -9.718
  184    H4*    T  22           H4*        T  22  -1.358   6.200  -8.990
  185    H3*    T  22           H3*        T  22  -2.503   5.692 -11.712
  186   1H2*    T  22          1H2*        T  22  -2.314   3.338 -11.460
  187   2H2*    T  22          2H2*        T  22  -0.617   3.660 -11.968
  188    H1*    T  22           H1*        T  22   0.072   3.938  -9.662
  189    H3     T  22           H3         T  22   0.956  -0.612  -9.718
  190   1H5M    T  22          1H5M        T  22  -4.033  -0.791  -8.970
  191   2H5M    T  22          2H5M        T  22  -4.333   0.004 -10.560
  192   3H5M    T  22          3H5M        T  22  -3.543  -1.607 -10.491
  193    H6     T  22           H6         T  22  -3.034   2.048  -9.830
  194   1H5*    G  23          1H5*        G  23   1.874   4.570 -10.164
  195   2H5*    G  23          2H5*        G  23   2.627   6.128 -10.488
  196    H4*    G  23           H4*        G  23   4.374   4.726 -10.063
  197    H3*    G  23           H3*        G  23   4.310   5.728 -12.667
  198   1H2*    G  23          1H2*        G  23   3.416   3.770 -13.670
  199   2H2*    G  23          2H2*        G  23   5.195   3.366 -13.880
  200    H1*    G  23           H1*        G  23   5.120   1.880 -11.977
  201    H8     G  23           H8         G  23   1.560   2.898 -12.658
  202    H1     G  23           H1         G  23   2.418  -3.444 -13.166
  203   1H2     G  23          1H2         G  23   5.672  -2.829 -12.427
  204   2H2     G  23          2H2         G  23   4.436  -3.967 -12.919
  205    H3T    G  23           H3T        G  23   6.122   5.444 -11.128
  206    H1   DAG  31           H1       DAG  31   2.977   7.799  -3.656
  207    H2   DAG  31           H2       DAG  31   1.643  10.466  -3.498
  208    H3   DAG  31           H3       DAG  31   0.939   8.264  -1.542
  209    H4   DAG  31           H4       DAG  31  -0.730   9.149  -3.890
  210    H5   DAG  31           H5       DAG  31   0.827   6.551  -3.506
  211   1H6   DAG  31          1H6       DAG  31  -1.354   6.015  -4.582
  212   2H6   DAG  31          2H6       DAG  31  -1.116   7.275  -5.771
  213   3H6   DAG  31          3H6       DAG  31  -0.052   5.890  -5.727
  214    HO3  DAG  31           HO3      DAG  31  -0.771   9.852  -1.152
  215   1HN4  DAG  31           HN4      DAG  31  -2.347   7.593  -3.106
  216    H1   DSR  32           H1       DTR  32  -2.382   5.428  -2.725
  217   1H2   DSR  32          1H2       DTR  32  -0.336   4.127  -1.841
  218   2H2   DSR  32          2H2       DTR  32  -0.827   4.455  -0.225
  219    H3   DSR  32           H3       DTR  32  -1.562   2.273  -0.801
  220    H4   DSR  32           H4       DTR  32  -3.056   3.519   0.577
  221    H5   DSR  32           H5       DTR  32  -4.414   4.542  -1.942
  222   1H6   DSR  32          1H6       DTR  32  -4.929   5.193   1.009
  223   2H6   DSR  32          2H6       DTR  32  -5.653   6.034  -0.350
  224   3H6   DSR  32          3H6       DTR  32  -6.065   4.347  -0.045
  225    HO3  DSR  32           HO3      DTR  32  -2.702   2.004  -2.798
  226   1H8   HIB  33          1H8       HIB  33  -3.427   0.557   3.076
  227   2H8   HIB  33          2H8       HIB  33  -3.446  -1.182   3.183
  228   3H8   HIB  33          3H8       HIB  33  -3.488  -0.426   1.604
  229   1H9   HIB  33          1H9       HIB  33 -11.105   0.889   3.711
  230   2H9   HIB  33          2H9       HIB  33  -9.550   1.022   4.520
  231   3H9   HIB  33          3H9       HIB  33 -10.309  -0.561   4.328
  232   1HX   HIB  33          1HX       HIB  33  -8.903   1.082  -0.069
  233   2HX   HIB  33          2HX       HIB  33  -8.803   2.838  -0.249
  234   3HX   HIB  33          3HX       HIB  33  -7.372   1.873  -0.546
  235    H1   MRP  34           H1       MRP  34  -9.099  -2.678   2.010
  236    H2   MRP  34           H2       MRP  34  -7.438  -4.387   2.988
  237    H3   MRP  34           H3       MRP  34  -7.988  -4.001   5.265
  238    H4   MRP  34           H4       MRP  34 -10.599  -5.464   4.742
  239    H5   MRP  34           H5       MRP  34 -10.201  -2.529   5.454
  240   1H6   MRP  34          1H6       MRP  34 -12.601  -2.321   4.780
  241   2H6   MRP  34          2H6       MRP  34 -12.689  -4.052   4.501
  242   3H6   MRP  34          3H6       MRP  34 -12.433  -3.434   6.129
  243   1H7   MRP  34          1H7       MRP  34  -6.850  -5.674   6.702
  244   2H7   MRP  34          2H7       MRP  34  -6.456  -7.143   5.818
  245   3H7   MRP  34          3H7       MRP  34  -5.974  -5.589   5.165
  246    HO2  MRP  34           HO2      MRP  34  -8.910  -5.342   1.494
  247    HO4  MRP  34           HO4      MRP  34  -9.519  -5.579   6.936
  248    H1   EMP  35           H1       DTP  35   2.165  11.515  -1.576
  249   1H2   EMP  35          1H2       DTP  35   3.130  10.154   0.416
  250   2H2   EMP  35          2H2       DTP  35   3.618  11.802   0.391
  251    H3   EMP  35           H3       DTP  35   5.219   9.344  -0.458
  252    H4   EMP  35           H4       DTP  35   5.956  12.248  -0.988
  253   1H5   EMP  35          1H5       DTP  35   5.851  11.617  -3.355
  254   2H5   EMP  35          2H5       DTP  35   5.247  10.024  -2.956
  255   1H6   EMP  35          1H6       DTP  35   8.135  12.316  -2.502
  256   2H6   EMP  35          2H6       DTP  35   9.367  11.386  -1.700
  257   1H7   EMP  35          1H7       DTP  35   7.602  10.183  -3.902
  258   2H7   EMP  35          2H7       DTP  35   9.236  10.791  -4.122
  259   3H7   EMP  35          3H7       DTP  35   8.952   9.396  -3.097
  260   1H8   EMP  35          1H8       DTP  35   4.490   9.434   2.221
  261   2H8   EMP  35          2H8       DTP  35   5.995   8.636   1.721
  262   3H8   EMP  35          3H8       DTP  35   6.015   9.859   2.990
  263   1HN4  EMP  35          1H4       DTP  35   7.516   9.766  -1.108
  264   2HN4  EMP  35          2H4       DTP  35   7.782  11.118  -0.235
  265    H1   MTC  36           H1       MTC  36   5.253   9.074  -5.460
  266    H4   MTC  36           H4       MTC  36   3.035   4.112  -5.528
  267    H5   MTC  36           H5       MTC  36   1.449   4.305  -7.230
  268   1H9   MTC  36          1H9       MTC  36   3.251   9.687 -10.513
  269   2H9   MTC  36          2H9       MTC  36   2.599   8.134 -10.914
  270    H14  MTC  36           H14      MTC  36   1.507  11.204  -7.645
  271   1H15  MTC  36          1H15      MTC  36   4.100  11.203  -6.007
  272   2H15  MTC  36          2H15      MTC  36   2.540  11.761  -5.369
  273   1H16  MTC  36          1H16      MTC  36   7.696  12.187  -7.065
  274   2H16  MTC  36          2H16      MTC  36   6.049  11.595  -7.262
  275   3H16  MTC  36          3H16      MTC  36   6.478  13.220  -7.826
  276   1H18  MTC  36          1H18      MTC  36   8.612   4.780  -9.324
  277   2H18  MTC  36          2H18      MTC  36   9.871   5.786  -8.573
  278   3H18  MTC  36          3H18      MTC  36   9.152   4.444  -7.685
  279    H11  MTC  36           H11      MTC  36   6.368   7.291  -6.937
  280    HO8  MTC  36           H8       MTC  36   0.348   8.570  -9.416
   
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1   4.210 -11.832 -10.196
    2   2H5*    C   1          2H5*        C   1   2.775 -11.509 -11.231
    3    H4*    C   1           H4*        C   1   5.397 -10.040 -11.893
    4    H3*    C   1           H3*        C   1   3.493  -9.471  -9.530
    5   1H2*    C   1          1H2*        C   1   3.138  -7.354 -10.192
    6   2H2*    C   1          2H2*        C   1   4.868  -7.072 -10.681
    7    H1*    C   1           H1*        C   1   4.472  -7.557 -12.810
    8   1H4     C   1          1H4         C   1  -1.613  -5.006 -11.590
    9   2H4     C   1          2H4         C   1  -0.755  -3.842 -12.573
   10    H5     C   1           H5         C   1  -0.743  -7.214 -11.152
   11    H6     C   1           H6         C   1   1.328  -8.535 -11.189
   12    H5T    C   1           H5*        C   1   5.362 -12.542 -11.912
   13   1H5*    A   2          1H5*        A   2   7.812  -7.023 -12.025
   14   2H5*    A   2          2H5*        A   2   9.368  -7.529 -11.327
   15    H4*    A   2           H4*        A   2   8.943  -5.322 -10.551
   16    H3*    A   2           H3*        A   2   8.916  -7.409  -8.474
   17   1H2*    A   2          1H2*        A   2   6.777  -6.988  -7.898
   18   2H2*    A   2          2H2*        A   2   7.507  -5.657  -6.897
   19    H1*    A   2           H1*        A   2   7.163  -4.004  -8.744
   20    H8     A   2           H8         A   2   4.680  -6.783  -7.846
   21   1H6     A   2          1H6         A   2   0.093  -3.060  -9.519
   22   2H6     A   2          2H6         A   2   0.556  -4.613  -8.880
   23    H2     A   2           H2         A   2   3.996  -0.759 -10.065
   24   1H5*    C   3          1H5*        C   3  10.462  -2.877  -8.505
   25   2H5*    C   3          2H5*        C   3  11.398  -2.072  -7.206
   26    H4*    C   3           H4*        C   3   9.535  -0.731  -8.377
   27    H3*    C   3           H3*        C   3   9.975  -0.972  -5.439
   28   1H2*    C   3          1H2*        C   3   7.741  -0.970  -4.834
   29   2H2*    C   3          2H2*        C   3   7.532   0.646  -5.610
   30    H1*    C   3           H1*        C   3   6.709  -0.329  -7.636
   31   1H4     C   3          1H4         C   3   3.023  -5.315  -5.222
   32   2H4     C   3          2H4         C   3   1.909  -4.037  -5.674
   33    H5     C   3           H5         C   3   5.357  -4.924  -4.960
   34    H6     C   3           H6         C   3   7.234  -3.434  -5.722
   35   1H5*    T   4          1H5*        T   4   9.596   3.991  -4.726
   36   2H5*    T   4          2H5*        T   4   9.027   2.337  -4.317
   37    H4*    T   4           H4*        T   4   7.142   4.760  -4.733
   38    H3*    T   4           H3*        T   4   8.779   4.013  -2.404
   39   1H2*    T   4          1H2*        T   4   7.578   2.266  -1.822
   40   2H2*    T   4          2H2*        T   4   6.520   3.470  -1.008
   41    H1*    T   4           H1*        T   4   4.948   3.509  -3.018
   42    H3     T   4           H3         T   4   2.465  -0.399  -2.998
   43   1H5M    T   4          1H5M        T   4   7.132  -2.483  -3.473
   44   2H5M    T   4          2H5M        T   4   7.499  -1.873  -1.825
   45   3H5M    T   4          3H5M        T   4   6.177  -3.062  -2.065
   46    H6     T   4           H6         T   4   7.175   0.485  -2.735
   47   1H5*    C   5          1H5*        C   5   4.417   5.722  -2.348
   48   2H5*    C   5          2H5*        C   5   4.428   7.389  -1.717
   49    H4*    C   5           H4*        C   5   2.236   6.507  -1.271
   50    H3*    C   5           H3*        C   5   3.912   7.036   1.118
   51   1H2*    C   5          1H2*        C   5   3.871   4.892   1.899
   52   2H2*    C   5          2H2*        C   5   2.214   5.278   2.458
   53    H1*    C   5           H1*        C   5   1.179   4.237   0.468
   54   1H4     C   5          1H4         C   5   4.991  -1.405   0.527
   55   2H4     C   5          2H4         C   5   3.345  -1.902   0.249
   56    H5     C   5           H5         C   5   5.601   0.857   0.782
   57    H6     C   5           H6         C   5   4.805   3.222   0.924
   58   1H5*    C   6          1H5*        C   6  -0.698   6.379   0.940
   59   2H5*    C   6          2H5*        C   6  -1.884   7.327   1.902
   60    H4*    C   6           H4*        C   6  -2.420   4.943   1.812
   61    H3*    C   6           H3*        C   6  -1.768   6.238   4.444
   62   1H2*    C   6          1H2*        C   6  -0.891   4.241   5.358
   63   2H2*    C   6          2H2*        C   6  -2.478   3.446   5.008
   64    H1*    C   6           H1*        C   6  -1.767   2.592   2.956
   65   1H4     C   6          1H4         C   6   4.541   0.667   3.881
   66   2H4     C   6          2H4         C   6   3.595  -0.765   3.569
   67    H5     C   6           H5         C   6   3.551   2.829   4.143
   68    H6     C   6           H6         C   6   1.390   4.092   4.235
   69   1H5*    T   7          1H5*        T   7  -6.190   4.016   3.588
   70   2H5*    T   7          2H5*        T   7  -7.540   4.350   4.697
   71    H4*    T   7           H4*        T   7  -6.859   1.914   4.387
   72    H3*    T   7           H3*        T   7  -7.482   3.230   6.957
   73   1H2*    T   7          1H2*        T   7  -5.330   2.755   7.829
   74   2H2*    T   7          2H2*        T   7  -6.108   1.128   8.146
   75    H1*    T   7           H1*        T   7  -5.279   0.277   5.941
   76    H3     T   7           H3         T   7  -1.012  -1.178   6.732
   77   1H5M    T   7          1H5M        T   7   0.017   2.993   8.789
   78   2H5M    T   7          2H5M        T   7   0.302   3.500   7.091
   79   3H5M    T   7          3H5M        T   7  -1.122   4.139   7.992
   80    H6     T   7           H6         T   7  -3.153   3.099   7.156
   81   1H5*    G   8          1H5*        G   8  -6.963  -0.899   7.950
   82   2H5*    G   8          2H5*        G   8  -7.536  -1.889   6.599
   83    H4*    G   8           H4*        G   8  -8.354  -3.626   8.064
   84    H3*    G   8           H3*        G   8  -8.889  -1.702  10.118
   85   1H2*    G   8          1H2*        G   8  -6.810  -1.382  10.886
   86   2H2*    G   8          2H2*        G   8  -7.095  -2.875  11.812
   87    H1*    G   8           H1*        G   8  -5.785  -4.238  10.286
   88    H8     G   8           H8         G   8  -5.285  -0.508   9.520
   89    H1     G   8           H1         G   8   0.280  -3.568  10.395
   90   1H2     G   8          1H2         G   8  -1.550  -6.402  10.510
   91   2H2     G   8          2H2         G   8   0.021  -5.625  10.558
   92   1H5*    G   9          1H5*        G   9  -7.696  -5.896  11.699
   93   2H5*    G   9          2H5*        G   9  -8.626  -6.579  13.076
   94    H4*    G   9           H4*        G   9  -6.287  -6.686  13.493
   95    H3*    G   9           H3*        G   9  -8.088  -5.381  15.349
   96   1H2*    G   9          1H2*        G   9  -6.787  -3.136  15.024
   97   2H2*    G   9          2H2*        G   9  -5.764  -3.887  16.336
   98    H1*    G   9           H1*        G   9  -4.362  -4.963  14.635
   99    H8     G   9           H8         G   9  -5.892  -1.565  13.657
  100    H1     G   9           H1         G   9   0.536  -1.732  14.018
  101   1H2     G   9          1H2         G   9   0.219  -4.973  14.834
  102   2H2     G   9          2H2         G   9   1.191  -3.544  14.685
  103    H3T    G   9           H3T        G   9  -5.656  -6.772  15.424
  104   1H5*    C  15          1H5*        C  15   8.796  -0.892  16.219
  105   2H5*    C  15          2H5*        C  15   7.313  -0.600  15.255
  106    H4*    C  15           H4*        C  15   7.803  -2.973  17.202
  107    H3*    C  15           H3*        C  15   8.605  -2.741  14.465
  108   1H2*    C  15          1H2*        C  15   6.703  -2.994  13.237
  109   2H2*    C  15          2H2*        C  15   6.511  -4.633  13.871
  110    H1*    C  15           H1*        C  15   4.789  -4.044  15.197
  111   1H4     C  15          1H4         C  15   2.343   1.138  11.884
  112   2H4     C  15          2H4         C  15   1.038   0.603  12.927
  113    H5     C  15           H5         C  15   4.692   0.430  12.217
  114    H6     C  15           H6         C  15   6.073  -1.129  13.250
  115    H5T    C  15           H5*        C  15   6.146  -0.534  17.294
  116   1H5*    C  16          1H5*        C  16   8.131  -8.045  13.757
  117   2H5*    C  16          2H5*        C  16   7.819  -6.374  13.161
  118    H4*    C  16           H4*        C  16   5.663  -8.593  13.503
  119    H3*    C  16           H3*        C  16   7.606  -7.832  11.363
  120   1H2*    C  16          1H2*        C  16   6.520  -6.073  10.649
  121   2H2*    C  16          2H2*        C  16   5.582  -7.277   9.711
  122    H1*    C  16           H1*        C  16   3.822  -7.311  11.536
  123   1H4     C  16          1H4         C  16   3.229  -0.701  10.150
  124   2H4     C  16          2H4         C  16   1.655  -1.413  10.122
  125    H5     C  16           H5         C  16   5.212  -2.057  10.709
  126    H6     C  16           H6         C  16   6.018  -4.275  11.283
  127   1H5*    A  17          1H5*        A  17   3.854  -8.659   9.517
  128   2H5*    A  17          2H5*        A  17   2.701  -9.567  10.552
  129    H4*    A  17           H4*        A  17   1.785 -10.733   8.452
  130    H3*    A  17           H3*        A  17   4.298  -9.717   7.231
  131   1H2*    A  17          1H2*        A  17   3.471  -7.873   6.038
  132   2H2*    A  17          2H2*        A  17   2.173  -8.867   5.388
  133    H1*    A  17           H1*        A  17   0.580  -8.026   6.816
  134    H8     A  17           H8         A  17   3.945  -6.551   7.844
  135   1H6     A  17          1H6         A  17   1.376  -1.015   7.025
  136   2H6     A  17          2H6         A  17   2.860  -1.872   7.318
  137    H2     A  17           H2         A  17  -1.840  -4.151   6.462
  138   1H5*    G  18          1H5*        G  18  -0.315 -10.304   6.321
  139   2H5*    G  18          2H5*        G  18  -1.278 -11.445   5.328
  140    H4*    G  18           H4*        G  18  -1.899  -9.271   4.686
  141    H3*    G  18           H3*        G  18  -0.536 -10.852   2.591
  142   1H2*    G  18          1H2*        G  18   1.208  -9.237   2.430
  143   2H2*    G  18          2H2*        G  18   0.031  -8.469   1.290
  144    H1*    G  18           H1*        G  18  -0.925  -7.118   3.265
  145    H8     G  18           H8         G  18   2.825  -7.926   3.310
  146    H1     G  18           H1         G  18   1.201  -1.683   3.636
  147   1H2     G  18          1H2         G  18  -1.967  -2.919   3.591
  148   2H2     G  18          2H2         G  18  -0.944  -1.489   3.692
  149   1H5*    G  19          1H5*        G  19  -3.776  -7.665   3.548
  150   2H5*    G  19          2H5*        G  19  -5.524  -7.953   3.738
  151    H4*    G  19           H4*        G  19  -5.823  -6.026   2.644
  152    H3*    G  19           H3*        G  19  -5.601  -7.916   0.396
  153   1H2*    G  19          1H2*        G  19  -3.584  -7.089  -0.364
  154   2H2*    G  19          2H2*        G  19  -4.595  -5.815  -1.117
  155    H1*    G  19           H1*        G  19  -4.249  -4.272   0.633
  156    H8     G  19           H8         G  19  -1.602  -6.985   0.794
  157    H1     G  19           H1         G  19   0.909  -1.088   0.254
  158   1H2     G  19          1H2         G  19  -2.270  -0.031   0.425
  159   2H2     G  19          2H2         G  19  -0.565   0.389   0.425
  160   1H5*    A  20          1H5*        A  20  -6.500  -2.761   0.877
  161   2H5*    A  20          2H5*        A  20  -8.073  -2.601   0.014
  162    H4*    A  20           H4*        A  20  -6.790  -0.616  -0.265
  163    H3*    A  20           H3*        A  20  -7.748  -2.234  -2.485
  164   1H2*    A  20          1H2*        A  20  -5.663  -2.741  -3.320
  165   2H2*    A  20          2H2*        A  20  -5.788  -1.110  -4.083
  166    H1*    A  20           H1*        A  20  -4.510  -0.064  -2.302
  167    H8     A  20           H8         A  20  -4.008  -3.868  -2.282
  168   1H6     A  20          1H6         A  20   2.017  -2.804  -3.257
  169   2H6     A  20          2H6         A  20   0.780  -4.030  -3.371
  170    H2     A  20           H2         A  20  -0.013   1.162  -2.881
  171   1H5*    G  21          1H5*        G  21  -6.091   1.996  -2.665
  172   2H5*    G  21          2H5*        G  21  -6.873   3.458  -3.345
  173    H4*    G  21           H4*        G  21  -4.514   3.612  -3.859
  174    H3*    G  21           H3*        G  21  -6.373   3.214  -6.181
  175   1H2*    G  21          1H2*        G  21  -5.231   1.206  -6.818
  176   2H2*    G  21          2H2*        G  21  -4.117   2.427  -7.611
  177    H1*    G  21           H1*        G  21  -2.696   2.498  -5.614
  178    H8     G  21           H8         G  21  -4.517  -0.784  -5.866
  179    H1     G  21           H1         G  21   1.863  -1.299  -6.395
  180   1H2     G  21          1H2         G  21   1.811   2.100  -6.544
  181   2H2     G  21          2H2         G  21   2.735   0.614  -6.657
  182   1H5*    T  22          1H5*        T  22  -3.489   6.934  -9.739
  183   2H5*    T  22          2H5*        T  22  -3.904   5.196  -9.705
  184    H4*    T  22           H4*        T  22  -0.982   6.210  -8.894
  185    H3*    T  22           H3*        T  22  -2.437   5.920 -11.550
  186   1H2*    T  22          1H2*        T  22  -2.341   3.555 -11.373
  187   2H2*    T  22          2H2*        T  22  -0.727   3.863 -12.125
  188    H1*    T  22           H1*        T  22   0.299   3.964  -9.933
  189    H3     T  22           H3         T  22   0.934  -0.669  -9.756
  190   1H5M    T  22          1H5M        T  22  -4.031  -0.785 -10.307
  191   2H5M    T  22          2H5M        T  22  -3.530  -1.351  -8.683
  192   3H5M    T  22          3H5M        T  22  -4.332   0.248  -8.856
  193    H6     T  22           H6         T  22  -2.905   2.214  -9.700
  194   1H5*    G  23          1H5*        G  23   2.192   4.637 -10.609
  195   2H5*    G  23          2H5*        G  23   2.835   6.234 -11.047
  196    H4*    G  23           H4*        G  23   4.674   4.991 -11.245
  197    H3*    G  23           H3*        G  23   3.815   5.815 -13.739
  198   1H2*    G  23          1H2*        G  23   2.764   3.809 -14.388
  199   2H2*    G  23          2H2*        G  23   4.420   3.419 -15.050
  200    H1*    G  23           H1*        G  23   4.900   1.985 -13.182
  201    H8     G  23           H8         G  23   1.270   3.017 -12.966
  202    H1     G  23           H1         G  23   2.013  -3.365 -13.092
  203   1H2     G  23          1H2         G  23   5.372  -2.720 -13.268
  204   2H2     G  23          2H2         G  23   4.063  -3.882 -13.287
  205    H3T    G  23           H3T        G  23   6.090   4.502 -12.772
  206    H1   DAG  31           H1       DAG  31   2.642   7.644  -3.076
  207    H2   DAG  31           H2       DAG  31   1.584  10.477  -2.991
  208    H3   DAG  31           H3       DAG  31   0.863   8.109  -1.229
  209    H4   DAG  31           H4       DAG  31  -0.881   9.344  -3.330
  210    H5   DAG  31           H5       DAG  31   0.533   6.627  -3.400
  211   1H6   DAG  31          1H6       DAG  31  -1.630   6.555  -4.635
  212   2H6   DAG  31          2H6       DAG  31  -1.176   8.015  -5.523
  213   3H6   DAG  31          3H6       DAG  31  -0.261   6.530  -5.741
  214    HO3  DAG  31           HO3      DAG  31  -0.127   9.725  -0.093
  215   1HN4  DAG  31           HN4      DAG  31  -2.446   7.655  -2.673
  216    H1   DSR  32           H1       DTR  32  -2.379   5.384  -2.551
  217   1H2   DSR  32          1H2       DTR  32  -0.335   4.018  -1.705
  218   2H2   DSR  32          2H2       DTR  32  -0.855   4.294  -0.083
  219    H3   DSR  32           H3       DTR  32  -1.582   2.140  -0.747
  220    H4   DSR  32           H4       DTR  32  -3.049   3.342   0.675
  221    H5   DSR  32           H5       DTR  32  -4.422   4.492  -1.778
  222   1H6   DSR  32          1H6       DTR  32  -6.039   4.233   0.160
  223   2H6   DSR  32          2H6       DTR  32  -4.870   5.027   1.219
  224   3H6   DSR  32          3H6       DTR  32  -5.614   5.922  -0.080
  225    HO3  DSR  32           HO3      DTR  32  -2.761   1.943  -2.728
  226   1H8   HIB  33          1H8       HIB  33  -3.456  -1.075   3.468
  227   2H8   HIB  33          2H8       HIB  33  -3.495  -0.441   1.839
  228   3H8   HIB  33          3H8       HIB  33  -3.504   0.651   3.236
  229   1H9   HIB  33          1H9       HIB  33 -11.289  -0.145   3.780
  230   2H9   HIB  33          2H9       HIB  33  -9.838  -0.563   4.650
  231   3H9   HIB  33          3H9       HIB  33 -10.121   1.114   4.226
  232   1HX   HIB  33          1HX       HIB  33  -9.874   1.407   0.804
  233   2HX   HIB  33          2HX       HIB  33  -9.020   2.435  -0.346
  234   3HX   HIB  33          3HX       HIB  33  -8.621   0.730  -0.244
  235    H1   MRP  34           H1       MRP  34  -9.143  -2.872   2.203
  236    H2   MRP  34           H2       MRP  34  -7.346  -4.376   3.162
  237    H3   MRP  34           H3       MRP  34  -7.935  -3.989   5.460
  238    H4   MRP  34           H4       MRP  34 -10.364  -5.662   4.792
  239    H5   MRP  34           H5       MRP  34 -10.018  -2.771   5.755
  240   1H6   MRP  34          1H6       MRP  34 -12.574  -4.263   4.948
  241   2H6   MRP  34          2H6       MRP  34 -12.238  -3.544   6.529
  242   3H6   MRP  34          3H6       MRP  34 -12.449  -2.520   5.126
  243   1H7   MRP  34          1H7       MRP  34  -5.903  -5.124   6.067
  244   2H7   MRP  34          2H7       MRP  34  -7.124  -5.629   7.237
  245   3H7   MRP  34          3H7       MRP  34  -6.113  -6.827   6.418
  246    HO2  MRP  34           HO2      MRP  34  -8.899  -5.460   1.761
  247    HO4  MRP  34           HO4      MRP  34 -10.865  -5.589   7.005
  248    H1   EMP  35           H1       DTP  35   2.102  11.478  -0.990
  249   1H2   EMP  35          1H2       DTP  35   3.286  10.158   0.900
  250   2H2   EMP  35          2H2       DTP  35   3.859  11.775   0.783
  251    H3   EMP  35           H3       DTP  35   5.138   9.233  -0.397
  252    H4   EMP  35           H4       DTP  35   6.091  12.090  -0.777
  253   1H5   EMP  35          1H5       DTP  35   5.566  11.718  -3.150
  254   2H5   EMP  35          2H5       DTP  35   4.969  10.107  -2.789
  255   1H6   EMP  35          1H6       DTP  35   8.079  11.982  -2.668
  256   2H6   EMP  35          2H6       DTP  35   9.252  10.818  -2.130
  257   1H7   EMP  35          1H7       DTP  35   7.003  10.151  -4.109
  258   2H7   EMP  35          2H7       DTP  35   8.714  10.279  -4.455
  259   3H7   EMP  35          3H7       DTP  35   8.135   8.981  -3.430
  260   1H8   EMP  35          1H8       DTP  35   6.452   9.187   2.880
  261   2H8   EMP  35          2H8       DTP  35   4.805   8.967   2.288
  262   3H8   EMP  35          3H8       DTP  35   6.166   8.199   1.451
  263   1HN4  EMP  35          1H4       DTP  35   7.354   9.486  -1.230
  264   2HN4  EMP  35          2H4       DTP  35   7.918  10.787  -0.413
  265    H1   MTC  36           H1       MTC  36   5.241   8.185  -4.205
  266    H4   MTC  36           H4       MTC  36   2.211   3.959  -5.168
  267    H5   MTC  36           H5       MTC  36   1.293   4.197  -7.355
  268   1H9   MTC  36          1H9       MTC  36   5.328   8.866  -9.770
  269   2H9   MTC  36          2H9       MTC  36   4.848   7.221 -10.131
  270    H14  MTC  36           H14      MTC  36   2.191  10.531  -7.710
  271   1H15  MTC  36          1H15      MTC  36   4.100  10.853  -5.384
  272   2H15  MTC  36          2H15      MTC  36   2.334  11.150  -5.273
  273   1H16  MTC  36          1H16      MTC  36   5.890  10.957  -6.644
  274   2H16  MTC  36          2H16      MTC  36   5.966  12.290  -7.803
  275   3H16  MTC  36          3H16      MTC  36   7.450  11.547  -7.200
  276   1H18  MTC  36          1H18      MTC  36  10.815   7.448  -4.369
  277   2H18  MTC  36          2H18      MTC  36  10.245   5.861  -3.871
  278   3H18  MTC  36          3H18      MTC  36  10.601   6.171  -5.583
  279    H11  MTC  36           H11      MTC  36   6.863   7.652  -4.914
  280    HO8  MTC  36           H8       MTC  36   1.916   8.596  -9.340
   
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1   4.538 -12.342 -10.068
    2   2H5*    C   1          2H5*        C   1   3.017 -11.626 -10.728
    3    H4*    C   1           H4*        C   1   5.802 -10.392 -11.352
    4    H3*    C   1           H3*        C   1   3.979 -10.028  -8.890
    5   1H2*    C   1          1H2*        C   1   3.742  -7.871  -9.202
    6   2H2*    C   1          2H2*        C   1   5.486  -7.579  -9.634
    7    H1*    C   1           H1*        C   1   5.152  -7.684 -11.799
    8   1H4     C   1          1H4         C   1  -1.250  -5.443 -11.777
    9   2H4     C   1          2H4         C   1  -0.310  -4.276 -12.649
   10    H5     C   1           H5         C   1  -0.239  -7.384 -10.727
   11    H6     C   1           H6         C   1   1.880  -8.561 -10.325
   12    H5T    C   1           H5*        C   1   4.260 -11.796 -12.835
   13   1H5*    A   2          1H5*        A   2   8.735  -7.193 -11.216
   14   2H5*    A   2          2H5*        A   2   9.830  -7.869  -9.971
   15    H4*    A   2           H4*        A   2   9.329  -5.366  -9.791
   16    H3*    A   2           H3*        A   2   9.356  -7.200  -7.526
   17   1H2*    A   2          1H2*        A   2   7.170  -6.989  -7.119
   18   2H2*    A   2          2H2*        A   2   7.690  -5.536  -6.164
   19    H1*    A   2           H1*        A   2   7.320  -4.062  -8.150
   20    H8     A   2           H8         A   2   5.040  -6.882  -7.011
   21   1H6     A   2          1H6         A   2   0.279  -3.623  -9.235
   22   2H6     A   2          2H6         A   2   0.772  -5.085  -8.403
   23    H2     A   2           H2         A   2   4.072  -1.226  -9.893
   24   1H5*    C   3          1H5*        C   3   9.919  -2.666  -8.615
   25   2H5*    C   3          2H5*        C   3  10.999  -1.344  -8.098
   26    H4*    C   3           H4*        C   3   8.905  -0.416  -7.939
   27    H3*    C   3           H3*        C   3   9.614  -1.489  -5.139
   28   1H2*    C   3          1H2*        C   3   7.395  -0.976  -4.427
   29   2H2*    C   3          2H2*        C   3   7.358   0.565  -5.351
   30    H1*    C   3           H1*        C   3   6.501  -0.428  -7.288
   31   1H4     C   3          1H4         C   3   2.450  -4.894  -4.381
   32   2H4     C   3          2H4         C   3   1.435  -3.772  -5.251
   33    H5     C   3           H5         C   3   4.874  -4.860  -4.554
   34    H6     C   3           H6         C   3   6.820  -3.468  -5.230
   35   1H5*    T   4          1H5*        T   4   8.092   2.602  -5.800
   36   2H5*    T   4          2H5*        T   4   9.073   3.951  -5.179
   37    H4*    T   4           H4*        T   4   6.787   4.543  -4.846
   38    H3*    T   4           H3*        T   4   8.466   4.101  -2.451
   39   1H2*    T   4          1H2*        T   4   7.203   2.394  -1.674
   40   2H2*    T   4          2H2*        T   4   6.182   3.718  -1.004
   41    H1*    T   4           H1*        T   4   4.657   3.602  -3.038
   42    H3     T   4           H3         T   4   1.961  -0.228  -2.860
   43   1H5M    T   4          1H5M        T   4   6.095  -2.333  -1.056
   44   2H5M    T   4          2H5M        T   4   5.692  -3.027  -2.653
   45   3H5M    T   4          3H5M        T   4   7.091  -1.917  -2.499
   46    H6     T   4           H6         T   4   6.691   0.525  -2.443
   47   1H5*    C   5          1H5*        C   5   4.453   6.108  -2.437
   48   2H5*    C   5          2H5*        C   5   4.367   7.713  -1.656
   49    H4*    C   5           H4*        C   5   2.245   6.592  -1.397
   50    H3*    C   5           H3*        C   5   3.729   7.358   1.074
   51   1H2*    C   5          1H2*        C   5   3.751   5.168   1.905
   52   2H2*    C   5          2H2*        C   5   2.054   5.508   2.363
   53    H1*    C   5           H1*        C   5   1.180   4.460   0.274
   54   1H4     C   5          1H4         C   5   4.994  -1.091   0.880
   55   2H4     C   5          2H4         C   5   3.361  -1.658   0.571
   56    H5     C   5           H5         C   5   5.561   1.138   1.130
   57    H6     C   5           H6         C   5   4.763   3.487   1.118
   58   1H5*    C   6          1H5*        C   6  -0.647   6.215   0.793
   59   2H5*    C   6          2H5*        C   6  -1.971   7.230   1.438
   60    H4*    C   6           H4*        C   6  -2.617   4.997   1.642
   61    H3*    C   6           H3*        C   6  -1.731   6.108   4.302
   62   1H2*    C   6          1H2*        C   6  -1.669   3.951   5.271
   63   2H2*    C   6          2H2*        C   6  -3.130   3.435   4.374
   64    H1*    C   6           H1*        C   6  -1.938   2.478   2.677
   65   1H4     C   6          1H4         C   6   4.279   0.836   4.191
   66   2H4     C   6          2H4         C   6   3.369  -0.652   4.099
   67    H5     C   6           H5         C   6   3.220   2.993   4.207
   68    H6     C   6           H6         C   6   1.050   4.193   4.002
   69   1H5*    T   7          1H5*        T   7  -6.073   4.053   3.697
   70   2H5*    T   7          2H5*        T   7  -7.376   4.491   4.840
   71    H4*    T   7           H4*        T   7  -6.918   2.027   4.498
   72    H3*    T   7           H3*        T   7  -7.339   3.300   7.123
   73   1H2*    T   7          1H2*        T   7  -5.179   2.632   7.880
   74   2H2*    T   7          2H2*        T   7  -6.075   1.089   8.216
   75    H1*    T   7           H1*        T   7  -5.371   0.211   5.931
   76    H3     T   7           H3         T   7  -1.108  -1.424   6.944
   77   1H5M    T   7          1H5M        T   7  -0.846   3.987   7.182
   78   2H5M    T   7          2H5M        T   7  -0.486   3.218   8.763
   79   3H5M    T   7          3H5M        T   7   0.586   2.923   7.344
   80    H6     T   7           H6         T   7  -3.099   2.946   6.881
   81   1H5*    G   8          1H5*        G   8  -6.993  -0.758   8.169
   82   2H5*    G   8          2H5*        G   8  -7.520  -1.627   6.708
   83    H4*    G   8           H4*        G   8  -8.334  -3.533   8.028
   84    H3*    G   8           H3*        G   8  -8.740  -1.824  10.276
   85   1H2*    G   8          1H2*        G   8  -6.572  -1.509  10.890
   86   2H2*    G   8          2H2*        G   8  -6.838  -3.074  11.719
   87    H1*    G   8           H1*        G   8  -5.663  -4.338   9.999
   88    H8     G   8           H8         G   8  -5.089  -0.589   9.474
   89    H1     G   8           H1         G   8   0.414  -3.733  10.462
   90   1H2     G   8          1H2         G   8  -1.375  -6.574  10.348
   91   2H2     G   8          2H2         G   8   0.157  -5.788  10.606
   92   1H5*    G   9          1H5*        G   9  -5.680  -6.971  10.641
   93   2H5*    G   9          2H5*        G   9  -6.930  -7.767  11.651
   94    H4*    G   9           H4*        G   9  -4.893  -7.666  12.927
   95    H3*    G   9           H3*        G   9  -7.267  -6.330  13.887
   96   1H2*    G   9          1H2*        G   9  -6.093  -4.046  13.962
   97   2H2*    G   9          2H2*        G   9  -5.453  -4.703  15.530
   98    H1*    G   9           H1*        G   9  -3.513  -5.652  14.441
   99    H8     G   9           H8         G   9  -5.048  -2.407  13.166
  100    H1     G   9           H1         G   9   1.273  -2.093  14.025
  101   1H2     G   9          1H2         G   9   1.043  -5.305  15.039
  102   2H2     G   9          2H2         G   9   1.936  -3.806  15.001
  103    H3T    G   9           H3T        G   9  -6.580  -6.927  15.815
  104   1H5*    C  15          1H5*        C  15   8.728  -2.372  17.010
  105   2H5*    C  15          2H5*        C  15   7.284  -1.711  16.159
  106    H4*    C  15           H4*        C  15   7.375  -4.490  17.553
  107    H3*    C  15           H3*        C  15   8.503  -3.763  14.937
  108   1H2*    C  15          1H2*        C  15   6.793  -4.187  13.406
  109   2H2*    C  15          2H2*        C  15   6.262  -5.646  14.314
  110    H1*    C  15           H1*        C  15   4.515  -4.623  15.000
  111   1H4     C  15          1H4         C  15   2.965   0.513  11.592
  112   2H4     C  15          2H4         C  15   1.716   0.217  12.775
  113    H5     C  15           H5         C  15   5.214  -0.663  11.812
  114    H6     C  15           H6         C  15   6.415  -2.285  13.058
  115    H5T    C  15           H5*        C  15   6.159  -2.136  18.220
  116   1H5*    C  16          1H5*        C  16   9.074  -6.908  11.611
  117   2H5*    C  16          2H5*        C  16   8.094  -5.680  12.408
  118    H4*    C  16           H4*        C  16   6.804  -8.416  12.522
  119    H3*    C  16           H3*        C  16   8.011  -7.606   9.958
  120   1H2*    C  16          1H2*        C  16   6.536  -6.054   9.446
  121   2H2*    C  16          2H2*        C  16   5.533  -7.470   8.914
  122    H1*    C  16           H1*        C  16   4.276  -7.432  11.057
  123   1H4     C  16          1H4         C  16   3.328  -0.829   9.793
  124   2H4     C  16          2H4         C  16   1.753  -1.524   9.999
  125    H5     C  16           H5         C  16   5.335  -2.147  10.021
  126    H6     C  16           H6         C  16   6.259  -4.324  10.436
  127   1H5*    A  17          1H5*        A  17   4.002  -8.704   9.119
  128   2H5*    A  17          2H5*        A  17   2.948  -9.741  10.129
  129    H4*    A  17           H4*        A  17   2.176 -10.940   7.989
  130    H3*    A  17           H3*        A  17   4.610  -9.739   6.831
  131   1H2*    A  17          1H2*        A  17   3.710  -8.027   5.519
  132   2H2*    A  17          2H2*        A  17   2.392  -9.075   4.998
  133    H1*    A  17           H1*        A  17   0.887  -8.079   6.373
  134    H8     A  17           H8         A  17   4.298  -6.553   6.948
  135   1H6     A  17          1H6         A  17   1.422  -1.163   7.136
  136   2H6     A  17          2H6         A  17   2.950  -1.986   7.082
  137    H2     A  17           H2         A  17  -1.740  -4.418   6.839
  138   1H5*    G  18          1H5*        G  18   0.036 -10.664   5.812
  139   2H5*    G  18          2H5*        G  18  -0.769 -11.824   4.709
  140    H4*    G  18           H4*        G  18  -1.578  -9.702   4.144
  141    H3*    G  18           H3*        G  18   0.422 -10.789   2.157
  142   1H2*    G  18          1H2*        G  18   1.440  -8.778   1.807
  143   2H2*    G  18          2H2*        G  18  -0.066  -8.206   1.007
  144    H1*    G  18           H1*        G  18  -0.893  -7.228   3.158
  145    H8     G  18           H8         G  18   2.913  -7.775   3.101
  146    H1     G  18           H1         G  18   1.014  -1.684   3.974
  147   1H2     G  18          1H2         G  18  -2.072  -3.003   3.464
  148   2H2     G  18          2H2         G  18  -1.121  -1.546   3.727
  149   1H5*    G  19          1H5*        G  19  -3.633  -7.543   3.740
  150   2H5*    G  19          2H5*        G  19  -5.072  -8.428   3.129
  151    H4*    G  19           H4*        G  19  -5.557  -6.065   2.937
  152    H3*    G  19           H3*        G  19  -5.540  -7.659   0.577
  153   1H2*    G  19          1H2*        G  19  -3.586  -6.707  -0.352
  154   2H2*    G  19          2H2*        G  19  -4.718  -5.457  -0.927
  155    H1*    G  19           H1*        G  19  -4.305  -3.973   0.806
  156    H8     G  19           H8         G  19  -1.618  -6.650   0.784
  157    H1     G  19           H1         G  19   0.879  -0.764   0.451
  158   1H2     G  19          1H2         G  19  -2.333   0.274   0.326
  159   2H2     G  19          2H2         G  19  -0.631   0.702   0.432
  160   1H5*    A  20          1H5*        A  20  -6.871  -2.939   0.735
  161   2H5*    A  20          2H5*        A  20  -8.497  -2.819  -0.044
  162    H4*    A  20           H4*        A  20  -7.319  -0.759  -0.211
  163    H3*    A  20           H3*        A  20  -8.348  -2.102  -2.502
  164   1H2*    A  20          1H2*        A  20  -6.260  -2.609  -3.437
  165   2H2*    A  20          2H2*        A  20  -6.419  -0.941  -4.119
  166    H1*    A  20           H1*        A  20  -5.041   0.005  -2.337
  167    H8     A  20           H8         A  20  -4.651  -3.795  -2.415
  168   1H6     A  20          1H6         A  20   1.466  -2.950  -2.618
  169   2H6     A  20          2H6         A  20   0.175  -4.079  -2.324
  170    H2     A  20           H2         A  20  -0.456   1.088  -2.942
  171   1H5*    G  21          1H5*        G  21  -6.362   2.295  -2.628
  172   2H5*    G  21          2H5*        G  21  -7.274   3.543  -3.552
  173    H4*    G  21           H4*        G  21  -4.816   3.796  -3.854
  174    H3*    G  21           H3*        G  21  -6.653   3.434  -6.156
  175   1H2*    G  21          1H2*        G  21  -5.474   1.451  -6.888
  176   2H2*    G  21          2H2*        G  21  -4.322   2.681  -7.582
  177    H1*    G  21           H1*        G  21  -2.930   2.594  -5.590
  178    H8     G  21           H8         G  21  -4.968  -0.585  -5.820
  179    H1     G  21           H1         G  21   1.417  -1.484  -6.137
  180   1H2     G  21          1H2         G  21   1.577   1.878  -6.126
  181   2H2     G  21          2H2         G  21   2.421   0.342  -6.271
  182   1H5*    T  22          1H5*        T  22  -2.169   5.321  -7.111
  183   2H5*    T  22          2H5*        T  22  -2.358   6.775  -8.118
  184    H4*    T  22           H4*        T  22  -0.482   5.709  -9.115
  185    H3*    T  22           H3*        T  22  -3.020   5.332 -10.718
  186   1H2*    T  22          1H2*        T  22  -2.809   2.971 -10.598
  187   2H2*    T  22          2H2*        T  22  -1.634   3.197 -11.916
  188    H1*    T  22           H1*        T  22   0.244   3.384 -10.313
  189    H3     T  22           H3         T  22   1.162  -1.129  -9.662
  190   1H5M    T  22          1H5M        T  22  -3.310  -2.065  -8.779
  191   2H5M    T  22          2H5M        T  22  -4.104  -0.453  -8.721
  192   3H5M    T  22          3H5M        T  22  -3.848  -1.265 -10.302
  193    H6     T  22           H6         T  22  -2.750   1.558  -9.091
  194   1H5*    G  23          1H5*        G  23   1.636   5.809 -10.624
  195   2H5*    G  23          2H5*        G  23   2.716   6.998 -11.424
  196    H4*    G  23           H4*        G  23   3.745   4.975 -11.895
  197    H3*    G  23           H3*        G  23   1.888   5.623 -14.230
  198   1H2*    G  23          1H2*        G  23   1.787   3.413 -14.813
  199   2H2*    G  23          2H2*        G  23   3.619   3.299 -14.908
  200    H1*    G  23           H1*        G  23   3.741   2.588 -12.613
  201    H8     G  23           H8         G  23   0.121   2.678 -13.469
  202    H1     G  23           H1         G  23   2.210  -3.364 -12.717
  203   1H2     G  23          1H2         G  23   5.296  -1.979 -12.398
  204   2H2     G  23          2H2         G  23   4.317  -3.430 -12.493
  205    H3T    G  23           H3T        G  23   4.727   5.289 -13.911
  206    H1   DAG  31           H1       DAG  31   2.998   7.600  -3.307
  207    H2   DAG  31           H2       DAG  31   1.708  10.323  -3.363
  208    H3   DAG  31           H3       DAG  31   0.942   8.107  -1.441
  209    H4   DAG  31           H4       DAG  31  -0.611   9.085  -3.797
  210    H5   DAG  31           H5       DAG  31   0.824   6.440  -3.300
  211   1H6   DAG  31          1H6       DAG  31  -0.988   7.291  -5.620
  212   2H6   DAG  31          2H6       DAG  31   0.106   5.906  -5.647
  213   3H6   DAG  31          3H6       DAG  31  -1.253   5.937  -4.538
  214    HO3  DAG  31           HO3      DAG  31   0.220   9.959  -0.466
  215   1HN4  DAG  31           HN4      DAG  31  -1.868   8.613  -1.868
  216    H1   DSR  32           H1       DTR  32  -2.455   5.494  -2.701
  217   1H2   DSR  32          1H2       DTR  32  -0.462   4.109  -1.908
  218   2H2   DSR  32          2H2       DTR  32  -0.906   4.371  -0.271
  219    H3   DSR  32           H3       DTR  32  -1.690   2.285  -0.857
  220    H4   DSR  32           H4       DTR  32  -3.167   3.496   0.503
  221    H5   DSR  32           H5       DTR  32  -4.481   4.641  -1.982
  222   1H6   DSR  32          1H6       DTR  32  -5.042   5.226   0.989
  223   2H6   DSR  32          2H6       DTR  32  -5.760   6.079  -0.369
  224   3H6   DSR  32          3H6       DTR  32  -6.162   4.388  -0.082
  225    HO3  DSR  32           HO3      DTR  32  -2.958   2.057  -2.829
  226   1H8   HIB  33          1H8       HIB  33  -3.643  -1.104   3.218
  227   2H8   HIB  33          2H8       HIB  33  -3.711  -0.372   1.632
  228   3H8   HIB  33          3H8       HIB  33  -3.574   0.637   3.080
  229   1H9   HIB  33          1H9       HIB  33  -9.809   1.628   4.364
  230   2H9   HIB  33          2H9       HIB  33 -10.165  -0.085   4.625
  231   3H9   HIB  33          3H9       HIB  33 -11.339   0.944   3.820
  232   1HX   HIB  33          1HX       HIB  33  -8.890   2.858  -0.400
  233   2HX   HIB  33          2HX       HIB  33  -7.742   1.551  -0.546
  234   3HX   HIB  33          3HX       HIB  33  -9.344   1.245   0.169
  235    H1   MRP  34           H1       MRP  34  -9.464  -2.445   2.251
  236    H2   MRP  34           H2       MRP  34  -7.805  -4.201   3.144
  237    H3   MRP  34           H3       MRP  34  -8.227  -3.808   5.454
  238    H4   MRP  34           H4       MRP  34 -10.924  -5.134   4.980
  239    H5   MRP  34           H5       MRP  34 -10.268  -2.281   5.831
  240   1H6   MRP  34          1H6       MRP  34 -12.920  -3.505   4.889
  241   2H6   MRP  34          2H6       MRP  34 -12.557  -3.176   6.574
  242   3H6   MRP  34          3H6       MRP  34 -12.665  -1.846   5.425
  243   1H7   MRP  34          1H7       MRP  34  -6.848  -7.005   6.076
  244   2H7   MRP  34          2H7       MRP  34  -6.280  -5.486   5.391
  245   3H7   MRP  34          3H7       MRP  34  -7.192  -5.495   6.908
  246    HO2  MRP  34           HO2      MRP  34  -9.368  -5.156   1.770
  247    HO4  MRP  34           HO4      MRP  34  -9.832  -5.545   7.069
  248    H1   EMP  35           H1       DTP  35   2.400  11.665  -1.782
  249   1H2   EMP  35          1H2       DTP  35   2.972  10.675   0.526
  250   2H2   EMP  35          2H2       DTP  35   3.684  12.204   0.209
  251    H3   EMP  35           H3       DTP  35   5.018   9.437   0.053
  252    H4   EMP  35           H4       DTP  35   6.229  12.087  -0.815
  253   1H5   EMP  35          1H5       DTP  35   6.246  11.090  -3.087
  254   2H5   EMP  35          2H5       DTP  35   5.428   9.658  -2.505
  255   1H6   EMP  35          1H6       DTP  35   8.516  10.630  -2.454
  256   2H6   EMP  35          2H6       DTP  35   8.826  11.911  -1.277
  257   1H7   EMP  35          1H7       DTP  35  10.797  10.428  -1.487
  258   2H7   EMP  35          2H7       DTP  35  10.137  10.322   0.135
  259   3H7   EMP  35          3H7       DTP  35   9.834   9.029  -1.024
  260   1H8   EMP  35          1H8       DTP  35   5.483   9.106   2.444
  261   2H8   EMP  35          2H8       DTP  35   5.364  10.553   3.440
  262   3H8   EMP  35          3H8       DTP  35   3.980  10.046   2.486
  263   1HN4  EMP  35          1H4       DTP  35   7.404   9.364  -0.706
  264   2HN4  EMP  35          2H4       DTP  35   7.682  10.556   0.389
  265    H1   MTC  36           H1       MTC  36   5.445   8.425  -4.600
  266    H4   MTC  36           H4       MTC  36   2.714   3.897  -5.610
  267    H5   MTC  36           H5       MTC  36   1.895   4.210  -7.878
  268   1H9   MTC  36          1H9       MTC  36   5.287   9.354 -10.159
  269   2H9   MTC  36          2H9       MTC  36   4.837   7.731 -10.611
  270    H14  MTC  36           H14      MTC  36   2.262  10.731  -7.928
  271   1H15  MTC  36          1H15      MTC  36   4.103  11.013  -5.566
  272   2H15  MTC  36          2H15      MTC  36   2.329  11.009  -5.374
  273   1H16  MTC  36          1H16      MTC  36   6.938  10.195  -5.954
  274   2H16  MTC  36          2H16      MTC  36   6.232  10.575  -7.534
  275   3H16  MTC  36          3H16      MTC  36   7.869  11.113  -7.140
  276   1H18  MTC  36          1H18      MTC  36  10.984   6.873  -5.977
  277   2H18  MTC  36          2H18      MTC  36  10.582   5.479  -4.968
  278   3H18  MTC  36          3H18      MTC  36  10.349   5.384  -6.714
  279    H11  MTC  36           H11      MTC  36   6.946   7.375  -5.484
  280    HO8  MTC  36           H8       MTC  36   1.984   8.494  -9.876
   
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1   2.585 -11.600  -9.770
    2   2H5*    C   1          2H5*        C   1   3.424 -12.140 -11.245
    3    H4*    C   1           H4*        C   1   5.108 -10.250 -11.015
    4    H3*    C   1           H3*        C   1   3.344  -9.590  -8.563
    5   1H2*    C   1          1H2*        C   1   3.056  -7.465  -9.251
    6   2H2*    C   1          2H2*        C   1   4.752  -7.275  -9.885
    7    H1*    C   1           H1*        C   1   4.168  -7.796 -11.950
    8   1H4     C   1          1H4         C   1  -1.921  -5.071 -10.783
    9   2H4     C   1          2H4         C   1  -1.057  -4.033 -11.896
   10    H5     C   1           H5         C   1  -0.873  -7.111  -9.872
   11    H6     C   1           H6         C   1   1.111  -8.560  -9.998
   12    H5T    C   1           H5*        C   1   5.314 -11.974  -9.377
   13   1H5*    A   2          1H5*        A   2   7.751  -7.224 -11.282
   14   2H5*    A   2          2H5*        A   2   9.264  -7.654 -10.432
   15    H4*    A   2           H4*        A   2   8.623  -5.411  -9.917
   16    H3*    A   2           H3*        A   2   8.881  -7.298  -7.652
   17   1H2*    A   2          1H2*        A   2   6.695  -6.971  -7.068
   18   2H2*    A   2          2H2*        A   2   7.420  -5.539  -6.185
   19    H1*    A   2           H1*        A   2   6.994  -4.069  -8.172
   20    H8     A   2           H8         A   2   4.543  -6.758  -7.059
   21   1H6     A   2          1H6         A   2   0.030  -3.083  -9.161
   22   2H6     A   2          2H6         A   2   0.363  -4.568  -8.313
   23    H2     A   2           H2         A   2   3.958  -0.848  -9.516
   24   1H5*    C   3          1H5*        C   3  10.376  -2.432  -8.080
   25   2H5*    C   3          2H5*        C   3  11.419  -1.662  -6.857
   26    H4*    C   3           H4*        C   3   9.319  -0.461  -7.133
   27    H3*    C   3           H3*        C   3   9.454  -1.980  -4.484
   28   1H2*    C   3          1H2*        C   3   7.323  -1.061  -3.943
   29   2H2*    C   3          2H2*        C   3   7.597   0.447  -4.891
   30    H1*    C   3           H1*        C   3   6.691  -0.501  -6.858
   31   1H4     C   3          1H4         C   3   2.573  -5.202  -4.480
   32   2H4     C   3          2H4         C   3   1.612  -3.873  -5.065
   33    H5     C   3           H5         C   3   4.995  -4.974  -4.225
   34    H6     C   3           H6         C   3   6.955  -3.617  -4.925
   35   1H5*    T   4          1H5*        T   4   8.027   2.463  -5.881
   36   2H5*    T   4          2H5*        T   4   8.911   3.984  -5.663
   37    H4*    T   4           H4*        T   4   6.797   4.531  -4.893
   38    H3*    T   4           H3*        T   4   8.683   4.201  -2.641
   39   1H2*    T   4          1H2*        T   4   7.564   2.467  -1.781
   40   2H2*    T   4          2H2*        T   4   6.567   3.741  -0.988
   41    H1*    T   4           H1*        T   4   4.869   3.617  -2.925
   42    H3     T   4           H3         T   4   2.209  -0.190  -2.687
   43   1H5M    T   4          1H5M        T   4   5.737  -2.678  -0.866
   44   2H5M    T   4          2H5M        T   4   6.599  -2.592  -2.442
   45   3H5M    T   4          3H5M        T   4   7.177  -1.613  -1.043
   46    H6     T   4           H6         T   4   6.914   0.575  -2.069
   47   1H5*    C   5          1H5*        C   5   4.463   6.300  -2.514
   48   2H5*    C   5          2H5*        C   5   4.355   7.873  -1.652
   49    H4*    C   5           H4*        C   5   2.253   6.585  -1.529
   50    H3*    C   5           H3*        C   5   3.538   7.541   0.936
   51   1H2*    C   5          1H2*        C   5   3.975   5.344   1.613
   52   2H2*    C   5          2H2*        C   5   2.387   5.501   2.378
   53    H1*    C   5           H1*        C   5   1.328   4.456   0.224
   54   1H4     C   5          1H4         C   5   5.031  -1.070   1.435
   55   2H4     C   5          2H4         C   5   3.448  -1.598   0.917
   56    H5     C   5           H5         C   5   5.735   1.197   1.156
   57    H6     C   5           H6         C   5   4.935   3.550   1.024
   58   1H5*    C   6          1H5*        C   6  -0.263   6.301   3.987
   59   2H5*    C   6          2H5*        C   6   0.510   5.734   2.507
   60    H4*    C   6           H4*        C   6  -2.056   5.585   1.620
   61    H3*    C   6           H3*        C   6  -2.081   5.366   4.632
   62   1H2*    C   6          1H2*        C   6  -2.551   3.127   4.853
   63   2H2*    C   6          2H2*        C   6  -3.523   3.122   3.379
   64    H1*    C   6           H1*        C   6  -1.780   2.084   2.352
   65   1H4     C   6          1H4         C   6   4.206   0.727   4.180
   66   2H4     C   6          2H4         C   6   3.264  -0.754   4.101
   67    H5     C   6           H5         C   6   3.132   2.895   4.037
   68    H6     C   6           H6         C   6   0.968   4.068   3.792
   69   1H5*    T   7          1H5*        T   7  -6.940   4.849   6.434
   70   2H5*    T   7          2H5*        T   7  -5.165   4.645   6.582
   71    H4*    T   7           H4*        T   7  -6.821   2.752   4.762
   72    H3*    T   7           H3*        T   7  -7.326   3.009   7.611
   73   1H2*    T   7          1H2*        T   7  -5.159   2.368   8.205
   74   2H2*    T   7          2H2*        T   7  -6.021   0.765   8.225
   75    H1*    T   7           H1*        T   7  -5.204   0.342   5.845
   76    H3     T   7           H3         T   7  -0.985  -1.258   6.942
   77   1H5M    T   7          1H5M        T   7  -0.295   3.380   8.738
   78   2H5M    T   7          2H5M        T   7   0.585   3.210   7.175
   79   3H5M    T   7          3H5M        T   7  -0.915   4.194   7.257
   80    H6     T   7           H6         T   7  -3.117   3.044   7.200
   81   1H5*    G   8          1H5*        G   8  -6.672  -1.079   7.815
   82   2H5*    G   8          2H5*        G   8  -7.075  -1.961   6.336
   83    H4*    G   8           H4*        G   8  -7.976  -3.850   7.579
   84    H3*    G   8           H3*        G   8  -8.715  -2.189   9.741
   85   1H2*    G   8          1H2*        G   8  -6.571  -1.729  10.515
   86   2H2*    G   8          2H2*        G   8  -6.861  -3.209  11.463
   87    H1*    G   8           H1*        G   8  -5.560  -4.599   9.920
   88    H8     G   8           H8         G   8  -4.931  -0.867   9.326
   89    H1     G   8           H1         G   8   0.557  -3.943  10.473
   90   1H2     G   8          1H2         G   8  -1.216  -6.817  10.311
   91   2H2     G   8          2H2         G   8   0.311  -6.011  10.543
   92   1H5*    G   9          1H5*        G   9  -7.341  -6.248  11.626
   93   2H5*    G   9          2H5*        G   9  -8.345  -6.807  13.004
   94    H4*    G   9           H4*        G   9  -6.132  -6.656  13.710
   95    H3*    G   9           H3*        G   9  -8.126  -5.095  15.071
   96   1H2*    G   9          1H2*        G   9  -6.844  -2.881  14.449
   97   2H2*    G   9          2H2*        G   9  -5.939  -3.342  15.961
   98    H1*    G   9           H1*        G   9  -4.369  -4.692  14.662
   99    H8     G   9           H8         G   9  -5.712  -1.417  13.193
  100    H1     G   9           H1         G   9   0.692  -1.828  13.812
  101   1H2     G   9          1H2         G   9   0.191  -5.101  14.430
  102   2H2     G   9          2H2         G   9   1.239  -3.709  14.422
  103    H3T    G   9           H3T        G   9  -6.796  -5.525  16.841
  104   1H5*    C  15          1H5*        C  15   7.414  -1.710  16.131
  105   2H5*    C  15          2H5*        C  15   6.623  -1.867  17.736
  106    H4*    C  15           H4*        C  15   6.929  -4.413  17.590
  107    H3*    C  15           H3*        C  15   8.450  -3.772  15.174
  108   1H2*    C  15          1H2*        C  15   6.922  -3.792  13.493
  109   2H2*    C  15          2H2*        C  15   6.364  -5.415  13.979
  110    H1*    C  15           H1*        C  15   4.501  -4.728  14.874
  111   1H4     C  15          1H4         C  15   2.657   0.760  11.713
  112   2H4     C  15          2H4         C  15   1.377   0.322  12.805
  113    H5     C  15           H5         C  15   4.952  -0.370  11.914
  114    H6     C  15           H6         C  15   6.186  -2.034  13.084
  115    H5T    C  15           H5*        C  15   8.476  -2.880  18.541
  116   1H5*    C  16          1H5*        C  16   9.135  -7.410  12.107
  117   2H5*    C  16          2H5*        C  16   8.150  -6.024  12.613
  118    H4*    C  16           H4*        C  16   6.716  -8.749  12.429
  119    H3*    C  16           H3*        C  16   8.232  -7.576  10.156
  120   1H2*    C  16          1H2*        C  16   6.862  -5.968   9.699
  121   2H2*    C  16          2H2*        C  16   5.925  -7.248   8.854
  122    H1*    C  16           H1*        C  16   4.419  -7.487  10.837
  123   1H4     C  16          1H4         C  16   3.492  -0.923   9.767
  124   2H4     C  16          2H4         C  16   1.882  -1.582  10.008
  125    H5     C  16           H5         C  16   5.463  -2.132  10.300
  126    H6     C  16           H6         C  16   6.411  -4.307  10.702
  127   1H5*    A  17          1H5*        A  17   4.432  -8.762   8.988
  128   2H5*    A  17          2H5*        A  17   3.503  -9.825  10.119
  129    H4*    A  17           H4*        A  17   2.264 -10.785   8.051
  130    H3*    A  17           H3*        A  17   4.639  -9.653   6.615
  131   1H2*    A  17          1H2*        A  17   3.628  -7.811   5.595
  132   2H2*    A  17          2H2*        A  17   2.270  -8.793   5.102
  133    H1*    A  17           H1*        A  17   0.883  -8.043   6.751
  134    H8     A  17           H8         A  17   4.297  -6.404   7.117
  135   1H6     A  17          1H6         A  17   1.401  -1.028   6.996
  136   2H6     A  17          2H6         A  17   2.919  -1.865   7.049
  137    H2     A  17           H2         A  17  -1.768  -4.293   6.923
  138   1H5*    G  18          1H5*        G  18   0.182 -10.377   6.482
  139   2H5*    G  18          2H5*        G  18  -1.012 -11.536   5.839
  140    H4*    G  18           H4*        G  18  -1.786  -9.492   5.150
  141    H3*    G  18           H3*        G  18  -0.616 -11.020   2.874
  142   1H2*    G  18          1H2*        G  18   0.722  -9.220   2.216
  143   2H2*    G  18          2H2*        G  18  -0.817  -8.576   1.501
  144    H1*    G  18           H1*        G  18  -1.264  -7.306   3.635
  145    H8     G  18           H8         G  18   2.468  -7.862   2.965
  146    H1     G  18           H1         G  18   0.647  -1.765   3.945
  147   1H2     G  18          1H2         G  18  -2.490  -3.090   3.743
  148   2H2     G  18          2H2         G  18  -1.497  -1.650   3.929
  149   1H5*    G  19          1H5*        G  19  -3.054  -7.364   2.331
  150   2H5*    G  19          2H5*        G  19  -3.831  -7.034   3.918
  151    H4*    G  19           H4*        G  19  -5.762  -5.925   2.725
  152    H3*    G  19           H3*        G  19  -5.271  -7.617   0.509
  153   1H2*    G  19          1H2*        G  19  -3.447  -6.529  -0.423
  154   2H2*    G  19          2H2*        G  19  -4.627  -5.396  -1.063
  155    H1*    G  19           H1*        G  19  -4.220  -3.765   0.506
  156    H8     G  19           H8         G  19  -1.580  -6.585   0.892
  157    H1     G  19           H1         G  19   1.038  -0.751   0.508
  158   1H2     G  19          1H2         G  19  -2.163   0.310   0.254
  159   2H2     G  19          2H2         G  19  -0.463   0.742   0.396
  160   1H5*    A  20          1H5*        A  20  -6.922  -3.162   0.497
  161   2H5*    A  20          2H5*        A  20  -8.453  -2.950  -0.459
  162    H4*    A  20           H4*        A  20  -7.190  -0.915  -0.329
  163    H3*    A  20           H3*        A  20  -8.048  -2.114  -2.780
  164   1H2*    A  20          1H2*        A  20  -5.931  -2.426  -3.672
  165   2H2*    A  20          2H2*        A  20  -6.059  -0.660  -4.093
  166    H1*    A  20           H1*        A  20  -4.845   0.021  -2.141
  167    H8     A  20           H8         A  20  -4.365  -3.725  -2.583
  168   1H6     A  20          1H6         A  20   1.730  -2.706  -2.609
  169   2H6     A  20          2H6         A  20   0.486  -3.920  -2.696
  170    H2     A  20           H2         A  20  -0.313   1.300  -2.756
  171   1H5*    G  21          1H5*        G  21  -6.179   2.209  -2.583
  172   2H5*    G  21          2H5*        G  21  -6.957   3.595  -3.429
  173    H4*    G  21           H4*        G  21  -4.538   3.641  -3.830
  174    H3*    G  21           H3*        G  21  -6.425   3.419  -6.097
  175   1H2*    G  21          1H2*        G  21  -5.425   1.319  -6.801
  176   2H2*    G  21          2H2*        G  21  -4.266   2.479  -7.611
  177    H1*    G  21           H1*        G  21  -2.802   2.450  -5.650
  178    H8     G  21           H8         G  21  -4.753  -0.806  -5.950
  179    H1     G  21           H1         G  21   1.666  -1.393  -5.956
  180   1H2     G  21          1H2         G  21   1.695   1.984  -6.039
  181   2H2     G  21          2H2         G  21   2.613   0.492  -6.133
  182   1H5*    T  22          1H5*        T  22  -3.577   6.804  -9.580
  183   2H5*    T  22          2H5*        T  22  -3.859   5.061  -9.305
  184    H4*    T  22           H4*        T  22  -0.921   6.233  -8.750
  185    H3*    T  22           H3*        T  22  -2.523   6.005 -11.326
  186   1H2*    T  22          1H2*        T  22  -2.323   3.664 -11.325
  187   2H2*    T  22          2H2*        T  22  -0.714   4.076 -12.061
  188    H1*    T  22           H1*        T  22   0.359   4.019  -9.958
  189    H3     T  22           H3         T  22   0.932  -0.645  -9.542
  190   1H5M    T  22          1H5M        T  22  -3.802  -1.068 -10.328
  191   2H5M    T  22          2H5M        T  22  -3.757  -0.895  -8.551
  192   3H5M    T  22          3H5M        T  22  -4.428   0.434  -9.552
  193    H6     T  22           H6         T  22  -2.877   2.292  -9.692
  194   1H5*    G  23          1H5*        G  23   2.079   5.163 -10.708
  195   2H5*    G  23          2H5*        G  23   2.976   6.498 -11.480
  196    H4*    G  23           H4*        G  23   4.455   4.716 -11.507
  197    H3*    G  23           H3*        G  23   3.466   5.518 -14.095
  198   1H2*    G  23          1H2*        G  23   2.385   3.490 -14.558
  199   2H2*    G  23          2H2*        G  23   4.047   2.925 -15.055
  200    H1*    G  23           H1*        G  23   4.386   1.852 -12.896
  201    H8     G  23           H8         G  23   0.780   2.815 -13.280
  202    H1     G  23           H1         G  23   1.454  -3.546 -12.517
  203   1H2     G  23          1H2         G  23   4.766  -3.022 -12.397
  204   2H2     G  23          2H2         G  23   3.405  -4.102 -12.526
  205    H3T    G  23           H3T        G  23   5.763   4.165 -13.149
  206    H1   DAG  31           H1       DAG  31   2.874   7.770  -3.367
  207    H2   DAG  31           H2       DAG  31   1.563  10.466  -3.628
  208    H3   DAG  31           H3       DAG  31   0.821   8.364  -1.580
  209    H4   DAG  31           H4       DAG  31  -0.758   9.161  -4.019
  210    H5   DAG  31           H5       DAG  31   0.708   6.563  -3.353
  211   1H6   DAG  31          1H6       DAG  31   0.032   5.856  -5.653
  212   2H6   DAG  31          2H6       DAG  31  -1.028   7.252  -5.785
  213   3H6   DAG  31          3H6       DAG  31  -1.367   6.001  -4.606
  214    HO3  DAG  31           HO3      DAG  31  -0.613   9.949  -0.934
  215   1HN4  DAG  31           HN4      DAG  31  -2.143   8.753  -2.211
  216    H1   DSR  32           H1       DTR  32  -2.486   5.579  -2.706
  217   1H2   DSR  32          1H2       DTR  32  -0.407   4.400  -1.755
  218   2H2   DSR  32          2H2       DTR  32  -0.909   4.797  -0.169
  219    H3   DSR  32           H3       DTR  32  -1.521   2.558  -0.612
  220    H4   DSR  32           H4       DTR  32  -3.236   3.757   0.675
  221    H5   DSR  32           H5       DTR  32  -4.456   4.594  -1.973
  222   1H6   DSR  32          1H6       DTR  32  -5.863   6.076  -0.526
  223   2H6   DSR  32          2H6       DTR  32  -6.209   4.383  -0.174
  224   3H6   DSR  32          3H6       DTR  32  -5.192   5.328   0.915
  225    HO3  DSR  32           HO3      DTR  32  -2.789   2.155  -2.572
  226   1H8   HIB  33          1H8       HIB  33  -3.438  -0.093   1.890
  227   2H8   HIB  33          2H8       HIB  33  -3.688   0.874   3.351
  228   3H8   HIB  33          3H8       HIB  33  -3.509  -0.850   3.462
  229   1H9   HIB  33          1H9       HIB  33 -10.007  -0.506   4.159
  230   2H9   HIB  33          2H9       HIB  33 -10.143   1.112   3.465
  231   3H9   HIB  33          3H9       HIB  33 -11.371  -0.115   3.112
  232   1HX   HIB  33          1HX       HIB  33  -9.078   0.417  -0.175
  233   2HX   HIB  33          2HX       HIB  33 -10.051   1.655   0.633
  234   3HX   HIB  33          3HX       HIB  33  -9.019   2.056  -0.758
  235    H1   MRP  34           H1       MRP  34  -9.292  -2.847   1.902
  236    H2   MRP  34           H2       MRP  34  -7.768  -4.702   2.763
  237    H3   MRP  34           H3       MRP  34  -8.123  -4.318   5.063
  238    H4   MRP  34           H4       MRP  34 -10.972  -5.290   4.636
  239    H5   MRP  34           H5       MRP  34  -9.832  -2.594   5.482
  240   1H6   MRP  34          1H6       MRP  34 -12.150  -1.748   5.143
  241   2H6   MRP  34          2H6       MRP  34 -12.725  -3.386   4.862
  242   3H6   MRP  34          3H6       MRP  34 -12.109  -2.919   6.449
  243   1H7   MRP  34          1H7       MRP  34  -6.886  -7.566   5.537
  244   2H7   MRP  34          2H7       MRP  34  -6.342  -6.017   4.896
  245   3H7   MRP  34          3H7       MRP  34  -7.151  -6.087   6.465
  246    HO2  MRP  34           HO2      MRP  34  -9.468  -5.397   1.354
  247    HO4  MRP  34           HO4      MRP  34 -10.006  -5.965   6.677
  248    H1   EMP  35           H1       DTP  35   2.076  11.809  -1.954
  249   1H2   EMP  35          1H2       DTP  35   2.704  10.847   0.344
  250   2H2   EMP  35          2H2       DTP  35   3.386  12.394   0.042
  251    H3   EMP  35           H3       DTP  35   4.762   9.662  -0.141
  252    H4   EMP  35           H4       DTP  35   5.934  12.322  -0.990
  253   1H5   EMP  35          1H5       DTP  35   5.934  11.426  -3.296
  254   2H5   EMP  35          2H5       DTP  35   5.159   9.948  -2.763
  255   1H6   EMP  35          1H6       DTP  35   8.221  10.942  -2.727
  256   2H6   EMP  35          2H6       DTP  35   8.500  12.194  -1.519
  257   1H7   EMP  35          1H7       DTP  35  10.511  10.788  -1.756
  258   2H7   EMP  35          2H7       DTP  35   9.846  10.624  -0.140
  259   3H7   EMP  35          3H7       DTP  35   9.603   9.347  -1.332
  260   1H8   EMP  35          1H8       DTP  35   5.217  10.709   3.246
  261   2H8   EMP  35          2H8       DTP  35   3.685  10.521   2.398
  262   3H8   EMP  35          3H8       DTP  35   4.966   9.312   2.204
  263   1HN4  EMP  35          1H4       DTP  35   7.117   9.597  -1.030
  264   2HN4  EMP  35          2H4       DTP  35   7.407  10.752   0.110
  265    H1   MTC  36           H1       MTC  36   5.346   8.489  -4.671
  266    H4   MTC  36           H4       MTC  36   2.531   3.986  -5.373
  267    H5   MTC  36           H5       MTC  36   1.624   4.115  -7.543
  268   1H9   MTC  36          1H9       MTC  36   5.249   9.010 -10.252
  269   2H9   MTC  36          2H9       MTC  36   4.815   7.351 -10.609
  270    H14  MTC  36           H14      MTC  36   2.305  10.649  -8.145
  271   1H15  MTC  36          1H15      MTC  36   4.302  10.941  -5.887
  272   2H15  MTC  36          2H15      MTC  36   2.553  11.213  -5.653
  273   1H16  MTC  36          1H16      MTC  36   8.215  10.635  -6.555
  274   2H16  MTC  36          2H16      MTC  36   6.519  10.212  -6.336
  275   3H16  MTC  36          3H16      MTC  36   7.159  10.457  -7.964
  276   1H18  MTC  36          1H18      MTC  36  10.409   5.399  -4.806
  277   2H18  MTC  36          2H18      MTC  36  10.517   5.715  -6.537
  278   3H18  MTC  36          3H18      MTC  36  10.946   6.977  -5.371
  279    H11  MTC  36           H11      MTC  36   6.871   7.423  -5.452
  280    HO8  MTC  36           H8       MTC  36   1.883   8.439  -9.784
   
  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1   5.074 -12.111  -9.536
    2   2H5*    C   1          2H5*        C   1   3.573 -11.814 -10.487
    3    H4*    C   1           H4*        C   1   6.152 -10.321 -11.234
    4    H3*    C   1           H3*        C   1   4.277  -9.727  -8.859
    5   1H2*    C   1          1H2*        C   1   3.872  -7.640  -9.559
    6   2H2*    C   1          2H2*        C   1   5.596  -7.315 -10.038
    7    H1*    C   1           H1*        C   1   5.265  -7.879 -12.171
    8   1H4     C   1          1H4         C   1  -0.812  -5.232 -11.346
    9   2H4     C   1          2H4         C   1  -0.094  -4.224 -12.579
   10    H5     C   1           H5         C   1   0.018  -7.345 -10.682
   11    H6     C   1           H6         C   1   2.055  -8.710 -10.562
   12    H5T    C   1           H5*        C   1   4.824 -12.364 -12.372
   13   1H5*    A   2          1H5*        A   2   8.797  -6.820 -11.554
   14   2H5*    A   2          2H5*        A   2   9.993  -7.410 -10.363
   15    H4*    A   2           H4*        A   2   9.233  -4.954 -10.160
   16    H3*    A   2           H3*        A   2   9.557  -6.804  -7.910
   17   1H2*    A   2          1H2*        A   2   7.381  -6.715  -7.337
   18   2H2*    A   2          2H2*        A   2   7.916  -5.225  -6.439
   19    H1*    A   2           H1*        A   2   7.343  -3.787  -8.420
   20    H8     A   2           H8         A   2   5.225  -6.736  -7.265
   21   1H6     A   2          1H6         A   2   0.267  -3.534  -9.194
   22   2H6     A   2          2H6         A   2   0.812  -5.062  -8.575
   23    H2     A   2           H2         A   2   3.951  -0.978  -9.850
   24   1H5*    C   3          1H5*        C   3  10.468  -2.259  -8.657
   25   2H5*    C   3          2H5*        C   3  11.512  -1.068  -7.836
   26    H4*    C   3           H4*        C   3   9.351  -0.086  -7.990
   27    H3*    C   3           H3*        C   3   9.879  -1.179  -5.170
   28   1H2*    C   3          1H2*        C   3   7.670  -0.528  -4.566
   29   2H2*    C   3          2H2*        C   3   7.710   0.950  -5.596
   30    H1*    C   3           H1*        C   3   6.800  -0.194  -7.459
   31   1H4     C   3          1H4         C   3   3.035  -5.008  -4.849
   32   2H4     C   3          2H4         C   3   1.939  -3.780  -5.435
   33    H5     C   3           H5         C   3   5.408  -4.657  -4.648
   34    H6     C   3           H6         C   3   7.292  -3.155  -5.341
   35   1H5*    T   4          1H5*        T   4   8.418   3.041  -5.893
   36   2H5*    T   4          2H5*        T   4   9.399   4.360  -5.168
   37    H4*    T   4           H4*        T   4   7.049   4.858  -4.744
   38    H3*    T   4           H3*        T   4   8.868   4.310  -2.455
   39   1H2*    T   4          1H2*        T   4   7.771   2.500  -1.831
   40   2H2*    T   4          2H2*        T   4   6.761   3.677  -0.918
   41    H1*    T   4           H1*        T   4   5.061   3.714  -2.884
   42    H3     T   4           H3         T   4   2.452  -0.138  -2.863
   43   1H5M    T   4          1H5M        T   4   6.137  -2.966  -2.500
   44   2H5M    T   4          2H5M        T   4   7.523  -1.878  -2.844
   45   3H5M    T   4          3H5M        T   4   6.902  -2.054  -1.160
   46    H6     T   4           H6         T   4   7.182   0.646  -2.462
   47   1H5*    C   5          1H5*        C   5   4.114   5.929  -2.694
   48   2H5*    C   5          2H5*        C   5   4.252   7.575  -1.987
   49    H4*    C   5           H4*        C   5   2.019   6.797  -1.444
   50    H3*    C   5           H3*        C   5   3.918   7.260   0.778
   51   1H2*    C   5          1H2*        C   5   3.912   5.202   1.603
   52   2H2*    C   5          2H2*        C   5   2.328   5.563   2.314
   53    H1*    C   5           H1*        C   5   1.110   4.422   0.411
   54   1H4     C   5          1H4         C   5   5.134  -1.038   0.818
   55   2H4     C   5          2H4         C   5   3.520  -1.589   0.474
   56    H5     C   5           H5         C   5   5.678   1.266   0.943
   57    H6     C   5           H6         C   5   4.811   3.599   0.784
   58   1H5*    C   6          1H5*        C   6  -0.411   6.367   0.719
   59   2H5*    C   6          2H5*        C   6  -1.645   7.407   1.504
   60    H4*    C   6           H4*        C   6  -2.415   5.151   1.467
   61    H3*    C   6           H3*        C   6  -1.745   6.352   4.115
   62   1H2*    C   6          1H2*        C   6  -0.953   4.323   5.051
   63   2H2*    C   6          2H2*        C   6  -2.586   3.638   4.756
   64    H1*    C   6           H1*        C   6  -1.955   2.647   2.717
   65   1H4     C   6          1H4         C   6   4.287   0.445   4.048
   66   2H4     C   6          2H4         C   6   3.308  -0.926   3.688
   67    H5     C   6           H5         C   6   3.385   2.711   3.883
   68    H6     C   6           H6         C   6   1.303   4.068   3.776
   69   1H5*    T   7          1H5*        T   7  -6.227   5.124   6.925
   70   2H5*    T   7          2H5*        T   7  -4.488   4.850   6.606
   71    H4*    T   7           H4*        T   7  -6.497   3.115   5.035
   72    H3*    T   7           H3*        T   7  -6.602   3.243   7.956
   73   1H2*    T   7          1H2*        T   7  -4.505   2.298   8.263
   74   2H2*    T   7          2H2*        T   7  -5.494   0.760   8.112
   75    H1*    T   7           H1*        T   7  -4.875   0.520   5.778
   76    H3     T   7           H3         T   7  -0.586  -1.284   6.796
   77   1H5M    T   7          1H5M        T   7   0.505   3.079   8.550
   78   2H5M    T   7          2H5M        T   7   0.943   3.308   6.817
   79   3H5M    T   7          3H5M        T   7  -0.488   4.155   7.502
   80    H6     T   7           H6         T   7  -2.606   3.085   7.072
   81   1H5*    G   8          1H5*        G   8  -6.592  -0.869   7.996
   82   2H5*    G   8          2H5*        G   8  -7.279  -1.792   6.650
   83    H4*    G   8           H4*        G   8  -8.350  -3.359   8.094
   84    H3*    G   8           H3*        G   8  -8.873  -1.401  10.052
   85   1H2*    G   8          1H2*        G   8  -6.766  -1.135  10.896
   86   2H2*    G   8          2H2*        G   8  -7.173  -2.522  11.919
   87    H1*    G   8           H1*        G   8  -5.959  -4.095  10.531
   88    H8     G   8           H8         G   8  -5.043  -0.426   9.866
   89    H1     G   8           H1         G   8   0.132  -4.109  10.540
   90   1H2     G   8          1H2         G   8  -1.984  -6.760  10.801
   91   2H2     G   8          2H2         G   8  -0.347  -6.128  10.763
   92   1H5*    G   9          1H5*        G   9  -7.778  -5.718  11.736
   93   2H5*    G   9          2H5*        G   9  -8.743  -6.322  13.126
   94    H4*    G   9           H4*        G   9  -6.531  -6.578  13.759
   95    H3*    G   9           H3*        G   9  -8.132  -4.681  15.273
   96   1H2*    G   9          1H2*        G   9  -6.456  -2.760  14.660
   97   2H2*    G   9          2H2*        G   9  -5.583  -3.472  16.094
   98    H1*    G   9           H1*        G   9  -4.390  -5.042  14.652
   99    H8     G   9           H8         G   9  -5.130  -1.477  13.422
  100    H1     G   9           H1         G   9   1.098  -3.096  13.961
  101   1H2     G   9          1H2         G   9  -0.015  -6.232  14.434
  102   2H2     G   9          2H2         G   9   1.325  -5.108  14.402
  103    H3T    G   9           H3T        G   9  -7.225  -6.582  16.046
  104   1H5*    C  15          1H5*        C  15   9.940  -5.733  17.094
  105   2H5*    C  15          2H5*        C  15   9.110  -4.277  16.441
  106    H4*    C  15           H4*        C  15   7.583  -6.818  17.406
  107    H3*    C  15           H3*        C  15   9.079  -6.359  14.867
  108   1H2*    C  15          1H2*        C  15   7.480  -5.040  13.858
  109   2H2*    C  15          2H2*        C  15   6.610  -6.583  13.592
  110    H1*    C  15           H1*        C  15   5.270  -6.265  15.543
  111   1H4     C  15          1H4         C  15   3.623  -0.148  13.291
  112   2H4     C  15          2H4         C  15   2.109  -0.896  13.728
  113    H5     C  15           H5         C  15   5.788  -1.145  13.713
  114    H6     C  15           H6         C  15   6.936  -3.115  14.355
  115    H5T    C  15           H5*        C  15   8.829  -5.446  19.053
  116   1H5*    C  16          1H5*        C  16   5.044  -7.882  14.594
  117   2H5*    C  16          2H5*        C  16   3.931  -9.251  14.898
  118    H4*    C  16           H4*        C  16   4.009  -9.930  12.586
  119    H3*    C  16           H3*        C  16   6.793  -8.720  12.583
  120   1H2*    C  16          1H2*        C  16   6.345  -6.866  11.612
  121   2H2*    C  16          2H2*        C  16   6.012  -7.736  10.107
  122    H1*    C  16           H1*        C  16   3.612  -7.840  10.526
  123   1H4     C  16          1H4         C  16   3.415  -1.200  10.657
  124   2H4     C  16          2H4         C  16   1.753  -1.736  10.537
  125    H5     C  16           H5         C  16   5.172  -2.702  11.155
  126    H6     C  16           H6         C  16   5.821  -5.005  11.389
  127   1H5*    A  17          1H5*        A  17   2.677 -10.619  10.159
  128   2H5*    A  17          2H5*        A  17   2.758 -12.021   9.052
  129    H4*    A  17           H4*        A  17   1.482 -10.484   7.787
  130    H3*    A  17           H3*        A  17   4.300 -10.744   6.806
  131   1H2*    A  17          1H2*        A  17   4.620  -8.383   7.014
  132   2H2*    A  17          2H2*        A  17   3.732  -8.297   5.497
  133    H1*    A  17           H1*        A  17   1.557  -8.087   6.668
  134    H8     A  17           H8         A  17   4.766  -6.458   8.031
  135   1H6     A  17          1H6         A  17   1.984  -1.048   7.424
  136   2H6     A  17          2H6         A  17   3.454  -1.904   7.855
  137    H2     A  17           H2         A  17  -1.130  -4.266   6.611
  138   1H5*    G  18          1H5*        G  18  -0.192 -10.868   6.306
  139   2H5*    G  18          2H5*        G  18  -1.338 -11.753   5.246
  140    H4*    G  18           H4*        G  18  -1.831  -9.475   5.009
  141    H3*    G  18           H3*        G  18  -0.753 -10.810   2.613
  142   1H2*    G  18          1H2*        G  18   1.171  -9.338   2.662
  143   2H2*    G  18          2H2*        G  18   0.044  -8.386   1.605
  144    H1*    G  18           H1*        G  18  -0.831  -7.244   3.728
  145    H8     G  18           H8         G  18   2.837  -8.043   3.427
  146    H1     G  18           H1         G  18   1.202  -1.785   3.658
  147   1H2     G  18          1H2         G  18  -1.924  -2.955   3.927
  148   2H2     G  18          2H2         G  18  -0.871  -1.560   3.848
  149   1H5*    G  19          1H5*        G  19  -3.299  -7.283   3.881
  150   2H5*    G  19          2H5*        G  19  -4.918  -7.314   4.584
  151    H4*    G  19           H4*        G  19  -5.576  -5.595   3.214
  152    H3*    G  19           H3*        G  19  -5.392  -7.635   1.115
  153   1H2*    G  19          1H2*        G  19  -3.406  -6.821   0.203
  154   2H2*    G  19          2H2*        G  19  -4.489  -5.626  -0.579
  155    H1*    G  19           H1*        G  19  -4.085  -3.962   1.051
  156    H8     G  19           H8         G  19  -1.383  -6.655   1.303
  157    H1     G  19           H1         G  19   1.039  -0.794   0.348
  158   1H2     G  19          1H2         G  19  -2.205   0.183   0.457
  159   2H2     G  19          2H2         G  19  -0.520   0.673   0.360
  160   1H5*    A  20          1H5*        A  20  -6.559  -2.808   1.084
  161   2H5*    A  20          2H5*        A  20  -8.145  -2.635   0.241
  162    H4*    A  20           H4*        A  20  -6.898  -0.657  -0.097
  163    H3*    A  20           H3*        A  20  -7.772  -2.348  -2.283
  164   1H2*    A  20          1H2*        A  20  -5.629  -2.767  -3.115
  165   2H2*    A  20          2H2*        A  20  -5.823  -1.134  -3.859
  166    H1*    A  20           H1*        A  20  -4.601  -0.058  -2.056
  167    H8     A  20           H8         A  20  -4.006  -3.820  -1.959
  168   1H6     A  20          1H6         A  20   2.003  -2.694  -2.924
  169   2H6     A  20          2H6         A  20   0.820  -3.958  -2.847
  170    H2     A  20           H2         A  20  -0.110   1.253  -2.851
  171   1H5*    G  21          1H5*        G  21  -6.394   1.992  -2.713
  172   2H5*    G  21          2H5*        G  21  -7.259   3.209  -3.711
  173    H4*    G  21           H4*        G  21  -4.789   3.466  -3.896
  174    H3*    G  21           H3*        G  21  -6.529   3.008  -6.236
  175   1H2*    G  21          1H2*        G  21  -5.289   1.030  -6.887
  176   2H2*    G  21          2H2*        G  21  -4.151   2.294  -7.576
  177    H1*    G  21           H1*        G  21  -2.834   2.289  -5.542
  178    H8     G  21           H8         G  21  -4.696  -1.025  -5.811
  179    H1     G  21           H1         G  21   1.734  -1.472  -6.138
  180   1H2     G  21          1H2         G  21   1.648   1.894  -6.106
  181   2H2     G  21          2H2         G  21   2.611   0.429  -6.251
  182   1H5*    T  22          1H5*        T  22  -3.916   6.238 -10.001
  183   2H5*    T  22          2H5*        T  22  -4.130   4.531  -9.529
  184    H4*    T  22           H4*        T  22  -1.310   5.921  -8.916
  185    H3*    T  22           H3*        T  22  -2.682   5.355 -11.549
  186   1H2*    T  22          1H2*        T  22  -2.406   3.042 -11.274
  187   2H2*    T  22          2H2*        T  22  -0.764   3.411 -11.939
  188    H1*    T  22           H1*        T  22   0.147   3.671  -9.772
  189    H3     T  22           H3         T  22   0.999  -0.959  -9.472
  190   1H5M    T  22          1H5M        T  22  -4.180  -0.409  -8.478
  191   2H5M    T  22          2H5M        T  22  -4.165  -0.737 -10.241
  192   3H5M    T  22          3H5M        T  22  -3.521  -1.964  -9.088
  193    H6     T  22           H6         T  22  -2.967   1.751  -9.628
  194   1H5*    G  23          1H5*        G  23   1.822   4.451 -10.755
  195   2H5*    G  23          2H5*        G  23   2.545   5.960 -11.355
  196    H4*    G  23           H4*        G  23   4.221   4.322 -11.287
  197    H3*    G  23           H3*        G  23   3.690   5.567 -13.757
  198   1H2*    G  23          1H2*        G  23   2.459   3.740 -14.657
  199   2H2*    G  23          2H2*        G  23   4.108   3.262 -15.288
  200    H1*    G  23           H1*        G  23   4.398   1.676 -13.492
  201    H8     G  23           H8         G  23   0.819   2.764 -13.493
  202    H1     G  23           H1         G  23   1.714  -3.622 -13.351
  203   1H2     G  23          1H2         G  23   4.920  -2.863 -13.887
  204   2H2     G  23          2H2         G  23   3.671  -4.078 -13.553
  205    H3T    G  23           H3T        G  23   5.741   4.783 -12.562
  206    H1   DAG  31           H1       DAG  31   2.875   7.774  -3.671
  207    H2   DAG  31           H2       DAG  31   1.611  10.495  -3.564
  208    H3   DAG  31           H3       DAG  31   0.700   8.358  -1.667
  209    H4   DAG  31           H4       DAG  31  -0.734   9.168  -4.178
  210    H5   DAG  31           H5       DAG  31   0.782   6.582  -3.776
  211   1H6   DAG  31          1H6       DAG  31   0.067   6.075  -6.083
  212   2H6   DAG  31          2H6       DAG  31  -1.358   6.204  -5.064
  213   3H6   DAG  31          3H6       DAG  31  -0.916   7.526  -6.147
  214    HO3  DAG  31           HO3      DAG  31  -1.096   9.931  -1.618
  215   1HN4  DAG  31           HN4      DAG  31  -2.182   8.603  -2.499
  216    H1   DSR  32           H1       DTR  32  -2.500   5.475  -2.943
  217   1H2   DSR  32          1H2       DTR  32  -0.465   4.203  -1.990
  218   2H2   DSR  32          2H2       DTR  32  -0.940   4.592  -0.399
  219    H3   DSR  32           H3       DTR  32  -1.659   2.401  -0.821
  220    H4   DSR  32           H4       DTR  32  -3.254   3.659   0.454
  221    H5   DSR  32           H5       DTR  32  -4.509   4.546  -2.174
  222   1H6   DSR  32          1H6       DTR  32  -5.899   6.047  -0.751
  223   2H6   DSR  32          2H6       DTR  32  -6.232   4.369  -0.331
  224   3H6   DSR  32          3H6       DTR  32  -5.196   5.351   0.706
  225    HO3  DSR  32           HO3      DTR  32  -2.840   1.983  -2.786
  226   1H8   HIB  33          1H8       HIB  33  -3.685   0.931   3.189
  227   2H8   HIB  33          2H8       HIB  33  -3.621  -0.800   3.418
  228   3H8   HIB  33          3H8       HIB  33  -3.606  -0.157   1.796
  229   1H9   HIB  33          1H9       HIB  33  -9.964  -0.005   4.478
  230   2H9   HIB  33          2H9       HIB  33 -10.303   1.561   3.736
  231   3H9   HIB  33          3H9       HIB  33 -11.445   0.227   3.567
  232   1HX   HIB  33          1HX       HIB  33  -9.514   2.975  -0.070
  233   2HX   HIB  33          2HX       HIB  33  -9.603   1.221   0.038
  234   3HX   HIB  33          3HX       HIB  33 -10.068   2.254   1.424
  235    H1   MRP  34           H1       MRP  34  -9.512  -2.476   2.151
  236    H2   MRP  34           H2       MRP  34  -8.037  -4.369   2.993
  237    H3   MRP  34           H3       MRP  34  -8.284  -3.911   5.296
  238    H4   MRP  34           H4       MRP  34 -11.145  -4.933   4.998
  239    H5   MRP  34           H5       MRP  34 -10.186  -2.140   5.741
  240   1H6   MRP  34          1H6       MRP  34 -12.474  -2.693   6.605
  241   2H6   MRP  34          2H6       MRP  34 -12.604  -1.577   5.245
  242   3H6   MRP  34          3H6       MRP  34 -12.953  -3.280   5.017
  243   1H7   MRP  34          1H7       MRP  34  -6.585  -5.625   5.431
  244   2H7   MRP  34          2H7       MRP  34  -7.608  -5.759   6.864
  245   3H7   MRP  34          3H7       MRP  34  -7.213  -7.198   5.922
  246    HO2  MRP  34           HO2      MRP  34  -9.668  -5.391   1.829
  247    HO4  MRP  34           HO4      MRP  34 -10.244  -5.505   7.012
  248    H1   EMP  35           H1       DTP  35   2.157  11.601  -1.726
  249   1H2   EMP  35          1H2       DTP  35   2.970  10.341   0.408
  250   2H2   EMP  35          2H2       DTP  35   3.552  11.948   0.266
  251    H3   EMP  35           H3       DTP  35   5.013   9.339  -0.384
  252    H4   EMP  35           H4       DTP  35   5.969  12.155  -1.049
  253   1H5   EMP  35          1H5       DTP  35   5.890  11.322  -3.387
  254   2H5   EMP  35          2H5       DTP  35   5.191   9.807  -2.851
  255   1H6   EMP  35          1H6       DTP  35   8.133  11.978  -2.564
  256   2H6   EMP  35          2H6       DTP  35   9.315  11.181  -1.570
  257   1H7   EMP  35          1H7       DTP  35   9.355  10.253  -3.885
  258   2H7   EMP  35          2H7       DTP  35   9.015   9.027  -2.675
  259   3H7   EMP  35          3H7       DTP  35   7.710   9.654  -3.678
  260   1H8   EMP  35          1H8       DTP  35   5.521   8.628   1.770
  261   2H8   EMP  35          2H8       DTP  35   5.803   9.826   3.027
  262   3H8   EMP  35          3H8       DTP  35   4.195   9.667   2.314
  263   1HN4  EMP  35          1H4       DTP  35   7.411   9.588  -0.992
  264   2HN4  EMP  35          2H4       DTP  35   7.732  10.975  -0.167
  265    H1   MTC  36           H1       MTC  36   5.355   8.800  -5.272
  266    H4   MTC  36           H4       MTC  36   2.964   4.026  -5.610
  267    H5   MTC  36           H5       MTC  36   1.619   4.105  -7.525
  268   1H9   MTC  36          1H9       MTC  36   3.897   9.597 -10.505
  269   2H9   MTC  36          2H9       MTC  36   3.451   7.979 -11.019
  270    H14  MTC  36           H14      MTC  36   1.485  10.838  -7.804
  271   1H15  MTC  36          1H15      MTC  36   3.951  11.157  -6.060
  272   2H15  MTC  36          2H15      MTC  36   2.291  11.464  -5.478
  273   1H16  MTC  36          1H16      MTC  36   6.509  11.060  -8.929
  274   2H16  MTC  36          2H16      MTC  36   5.965  10.962  -7.251
  275   3H16  MTC  36          3H16      MTC  36   4.803  11.289  -8.545
  276   1H18  MTC  36          1H18      MTC  36   9.819   5.340  -7.507
  277   2H18  MTC  36          2H18      MTC  36  10.273   6.967  -8.082
  278   3H18  MTC  36          3H18      MTC  36  10.520   6.522  -6.404
  279    H11  MTC  36           H11      MTC  36   6.575   7.634  -6.425
  280    HO8  MTC  36           H8       MTC  36   0.780   8.700  -9.110
   
   
  No H/Q in entry =         280