*HEADER    DNA                                     13-OCT-99   1D6D              
*TITLE     SOLUTION DNA STRUCTURE CONTAINING (A-A)-T TRIADS                      
*TITLE    2 INTERDIGITATED BETWEEN A-T BASE PAIRS AND GGGG TETRADS; NMR,         
*TITLE    3 8 STRUCT.                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*AP*AP*GP*GP*TP*TP*TP*TP*AP*AP*GP*G)-3';              
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HUMAN               
*SOURCE   4 TELOMERIC DNA, HUMAN IG SUPERFAMILY CYTOTOXIC T-LYMPHOCYTE-          
*SOURCE   5 ASSOCIATED PROTEIN GENE AND 16S RRNA OF HENRICA NIPONICA.            
*KEYWDS    MULTI-STRANDED DNA ARCHITECTURE, G-TETRAD, T-(A-A) TRIAD,             
*KEYWDS   2 A(SYN)-A(ANTI) PLATFORM, ZIPPER MOTIF, BASE-SUGAR STACKING           
*EXPDTA    NMR, 8 STRUCTURES                                                     
*AUTHOR    V.V.KURYAVYI, A.KETTANI, W.WANG, R.JONES, D.J.PATEL                   
*REVDAT   1   17-JAN-00 1D6D    0                                                



This table contains three sets of restraints

a) NON-EXCHANGEABLE, WITHOUT METHYL GROUPS:

!intra1-1
assi (resi   1 and name H8   )
     (resi   1 and name H2'  )  3.10  0.62  0.62 
assi (resi   1 and name H1'  )
     (resi   1 and name H3'  )  3.33  0.67  0.67 
assi (resi   1 and name h1'  )
     (resi   1 and name h5'* )  4.37  0.87  0.87 
assi (resi   1 and name h1'  )
     (resi   1 and name h5'* )  4.65  0.93  0.93 
assi (resi   1 and name H8   )
     (resi   1 and name H1'  )  2.46  0.49  0.49 
assi (resi   1 and name H8   )
     (resi   1 and name H2'' )  3.17  0.63  0.63 
assi (resi   1 and name h4'  )
     (resi   1 and name h5'* )  2.34  0.47  0.47 
assi (resi   1 and name H8   )
     (resi   1 and name H3'  )  4.12  1.50  1.50 
assi (resi   1 and name h4'  )
     (resi   1 and name h5'* )  2.38  0.48  0.48 

!inter1-2     
assi (resi   1 and name H8   )
     (resi   2 and name H3'  )  5.80  1.16  1.16 
assi (resi   1 and name H1'  )
     (resi   2 and name H3'  )  4.53  1.11  1.11 
assi (resi   2 and name H8   )
     (resi   1 and name H1'  )  3.64  1.20  1.20 
assi (resi   1 and name h8   )
     (resi   2 and name h5'* )  4.46  0.89  0.89 
assi (resi   2 and name H2   )
     (resi   1 and name H1'  )  5.54  1.11  1.11 
assi (resi   1 and name h1'  )
     (resi   2 and name h4'  )  3.18  1.12  1.12 
assi (resi   1 and name h8   )
     (resi   2 and name h4'  )  4.57  0.91  0.91 
assi (resi   2 and name H8   )
     (resi   1 and name H3'  )  3.68  0.74  0.74 
assi (resi   2 and name H8   )
     (resi   1 and name H8   )  4.18  0.84  0.84 
assi (resi   2 and name H2   )
     (resi   1 and name H8   )  4.74  0.95  0.95 
assi (resi   1 and name h8   )
     (resi   2 and name h5'* )  3.60  0.90  0.90 
assi (resi   2 and name H8   )
     (resi   1 and name H2'  )  2.66  0.53  0.53 

!inter 1-7      
assi (resi   1 and name H2   )
     (resi   7 and name H2'' )  3.17  1.20  1.20 
assi (resi   1 and name h2   )
     (resi   7 and name h3'  )  4.37  0.87  0.87 
assi (resi   1 and name h2   )
     (resi   7 and name h1'  )  4.39  0.88  0.88 
assi (resi   1 and name h2   )
     (resi   7 and name h2'  )  2.98  0.60  0.60 
     
!intra2     
assi (resi   2 and name H8   )
     (resi   2 and name H3'  )  3.40  0.68  0.68 
assi (resi   2 and name h3'  )
     (resi   2 and name h5'* )  2.82  0.56  0.56 
assi (resi   2 and name H8   )
     (resi   2 and name H2'' )  2.78  1.00  1.00 
assi (resi   2 and name H8   )
     (resi   2 and name H1'  )  3.29  0.66  0.66 
assi (resi   2 and name H1'  )
     (resi   2 and name H2'  )  2.62  0.52  0.52 
assi (resi   2 and name H1'  )
     (resi   2 and name H3'  )  3.41  0.68  0.68 
assi (resi   2 and name h3'  )
     (resi   2 and name h2'  )  2.44  0.49  0.49 
assi (resi   2 and name h8   )
     (resi   2 and name h4'  )  4.42  0.88  0.88 
assi (resi   2 and name h8   )
     (resi   2 and name h5'* )  3.93  0.79  0.79 
assi (resi   2 and name h3'  )
     (resi   2 and name h2'' )  2.58  0.52  0.52 
assi (resi   2 and name H1'  )
     (resi   2 and name H2'' )  2.60  0.52  0.52 
assi (resi   2 and name H2   )
     (resi   2 and name H1'  )  4.24  0.85  0.85 
assi (resi   2 and name h8   )
     (resi   2 and name h5'* )  4.59  0.92  0.92 
assi (resi   2 and name h3'  )
     (resi   2 and name h5'* )  2.68  0.54  0.54 

     
!inter2-10     
assi (resi   2 and name H8   )
     (resi  10 and name H2   )  4.71  1.10  1.10 
assi (resi  10 and name H2   )
     (resi   2 and name H3'  )  4.37  1.20  1.20 
assi (resi   2 and name H2   )
     (resi  10 and name H3'  )  4.03  0.81  0.81 
assi (resi   2 and name H2   )
     (resi  10 and name H2   )  5.80  1.70  1.70 
assi (resi  10 and name H2   )
     (resi   2 and name H1'  )  3.04  0.61  0.61 
assi (resi  10 and name H2   )
     (resi   2 and name H2'' )  3.03  0.61  0.61 
assi (resi   2 and name H2   )
     (resi  10 and name H2'  )  3.25  0.65  0.65 
assi (resi   2 and name H2   )
     (resi  10 and name H1'  )  4.52  1.20  1.20 
assi (resi   2 and name H2   )
     (resi  10 and name H2'' )  3.14  1.00  1.00 
assi (resi  10 and name H2   )
     (resi   2 and name H2'  )  3.37  1.10  1.10 
     
!intra3      
assi (resi   3 and name h4'  )
     (resi   3 and name h2'  )  3.26  0.65  0.65 
assi (resi   3 and name h5'* )
     (resi   3 and name h2'  )  2.70  0.54  0.54 
assi (resi   3 and name H8   )
     (resi   3 and name H2'  )  3.96  0.79  0.79 
assi (resi   3 and name h4'  )
     (resi   3 and name h2'' )  3.48  0.70  0.70 
assi (resi   3 and name h5'* )
     (resi   3 and name h2'  )  2.82  0.56  0.56 
assi (resi   3 and name H1'  )
     (resi   3 and name H3'  )  3.47  0.69  0.69 
assi (resi   3 and name h8   )
     (resi   3 and name h4'  )  4.39  1.30  1.30 
assi (resi   3 and name H8   )
     (resi   3 and name H2'' )  3.65  0.73  0.73 
assi (resi   3 and name H8   )
     (resi   3 and name H3'  )  5.28  1.06  1.06 
assi (resi   3 and name H1'  )
     (resi   3 and name H2'  )  2.92  0.58  0.58 
assi (resi   3 and name H8   )
     (resi   3 and name H1'  )  2.38  0.48  0.48 
assi (resi   3 and name H1'  )
     (resi   3 and name H2'' )  2.64  0.53  0.53 

!inter3-4
assi (resi   4 and name h8   )
     (resi   3 and name h4'  )  5.26  1.05  1.05 
assi (resi   4 and name H8   )
     (resi   3 and name H1'  )  3.25  0.65  0.65 
assi (resi   4 and name H8   )
     (resi   3 and name H2'' )  2.65  0.53  0.53 
assi (resi   3 and name H8   )
     (resi   4 and name H2'' )  4.65  0.93  0.93 
assi (resi   4 and name H8   )
     (resi   3 and name H8   )  4.12  0.82  0.82 
assi (resi   3 and name H8   )
     (resi   4 and name H2'  )  5.03  1.01  1.01 
assi (resi   4 and name H8   )
     (resi   3 and name H3'  )  4.17  0.83  0.83 
assi (resi   3 and name H8   )
     (resi   4 and name H1'  )  3.36  0.67  0.67 
assi (resi   3 and name h8   )
     (resi   4 and name h5'* )  3.91  0.78  0.78 
assi (resi   3 and name H1'  )
     (resi   4 and name H3'  )  4.21  0.84  0.84 
assi (resi   3 and name h8   )
     (resi   4 and name h5'* )  3.86  0.77  0.77 
assi (resi   3 and name h8   )
     (resi   4 and name h4'  )  3.71  0.74  0.74 
assi (resi   3 and name H8   )
     (resi   4 and name H3'  )  5.42  1.08  1.08 
assi (resi   4 and name H8   )
     (resi   3 and name H2'  )  2.99  0.60  0.60 
     
     
!inter3-10     
assi (resi  10 and name h2   )
     (resi   3 and name h4'  )  4.31  0.86  0.86 
assi (resi   3 and name H8   )
     (resi  10 and name H1'  )  4.25  0.85  0.85 
assi (resi  10 and name H2   )
     (resi   3 and name H3'  )  5.54  1.11  1.11 
assi (resi   3 and name H8   )
     (resi  10 and name H2   )  4.87  0.97  0.97 
assi (resi  10 and name h2   )
     (resi   3 and name h5'* )  3.20  0.64  0.64 
assi (resi  10 and name h2   )
     (resi   3 and name h5'* )  3.52  0.70  0.70 
     
!intra4     
assi (resi   4 and name h3'  )
     (resi   4 and name h5'* )  2.73  0.55  0.55 
assi (resi   4 and name h3'  )
     (resi   4 and name h2'  )  2.46  0.49  0.49 
assi (resi   4 and name h8   )
     (resi   4 and name h4'  )  3.87  0.99  0.99 
assi (resi   4 and name h1'  )
     (resi   4 and name h5'* )  3.49  1.10  1.10 
assi (resi   4 and name h8   )
     (resi   4 and name h5'* )  3.86  0.77  0.77 
assi (resi   4 and name H8   )
     (resi   4 and name H1'  )  3.64  0.73  0.73 
assi (resi   4 and name H1'  )
     (resi   4 and name H3'  )  3.41  0.68  0.68 
assi (resi   4 and name h1'  )
     (resi   4 and name h5'* )  3.06  1.20  1.20 
assi (resi   4 and name h1'  )
     (resi   4 and name h4'  )  2.83  0.57  0.57 
assi (resi   4 and name H1'  )
     (resi   4 and name H2'  )  2.60  0.52  0.52 
assi (resi   4 and name H8   )
     (resi   4 and name H3'  )  3.38  0.68  0.68 
assi (resi   4 and name H8   )
     (resi   4 and name H2'' )  2.83  1.30  1.30 
assi (resi   4 and name H1'  )
     (resi   4 and name H2'' )  2.43  0.49  0.49 
assi (resi   4 and name H8   )
     (resi   4 and name H2'  )  2.62  0.52  0.52 
assi (resi   4 and name h3'  )
     (resi   4 and name h5'* )  3.17  0.63  0.63 
assi (resi   4 and name h3'  )
     (resi   4 and name h2'' )  2.63  0.53  0.53 
     
!inter4-5      
assi (resi   5 and name H6   )
     (resi   4 and name H3'  )  4.12  0.82  0.82 
assi (resi   5 and name H6   )
     (resi   4 and name H2'' )  2.95  0.59  0.59 
assi (resi   4 and name H8   )
     (resi   5 and name H6   )  4.05  0.81  0.81 
assi (resi   5 and name H6   )
     (resi   4 and name H1'  )  3.62  1.30  1.30 


!intra5     

assi (resi   5 and name h1'  )
     (resi   5 and name h5'* )  3.59  0.72  0.72 
assi (resi   5 and name h6   )
     (resi   5 and name h5'* )  3.76  0.75  0.75 
assi (resi   5 and name h6   )
     (resi   5 and name h4'  )  3.95  0.79  0.79 
assi (resi   5 and name H6   )
     (resi   5 and name H2'' )  2.61  1.25  1.25 
assi (resi   5 and name H6   )
     (resi   5 and name H3'  )  3.74  0.75  0.75 
assi (resi   5 and name h6   )
     (resi   5 and name h5'* )  3.56  0.71  0.71 
assi (resi   5 and name H1'  )
     (resi   5 and name H3'  )  3.73  0.75  0.75 
assi (resi   5 and name H1'  )
     (resi   5 and name H2'  )  2.76  0.55  0.55 
assi (resi   5 and name H6   )
     (resi   5 and name H1'  )  3.33  0.67  0.67 
assi (resi   5 and name H1'  )
     (resi   5 and name H2'' )  2.59  0.52  0.52 
assi (resi   5 and name h1'  )
     (resi   5 and name h5'* )  3.55  0.71  0.71 

!inter5-6
assi (resi   5 and name H1'  )
     (resi   6 and name H2'  )  2.81  1.40  1.40 
assi (resi   5 and name H1'  )
     (resi   6 and name H2'' )  2.99  1.00  1.00 
assi (resi   6 and name H6   )
     (resi   5 and name H2'  )  4.34  0.87  0.87 
assi (resi   6 and name H6   )
     (resi   5 and name H1'  )  3.32  0.66  0.66 
assi (resi   6 and name H6   )
     (resi   5 and name H3'  )  5.80  1.60  1.60 
assi (resi   6 and name H6   )
     (resi   5 and name H2'' )  4.06  0.81  0.81 
assi (resi   5 and name H6   )
     (resi   6 and name H3'  )  4.55  2.00  2.00 
assi (resi   5 and name H1'  )
     (resi   6 and name H3'  )  3.56  1.20  1.20 
assi (resi   6 and name H6   )
     (resi   5 and name H6   )  4.89  2.00  2.00 

!inter5-7


assi (resi   7 and name H6   )
     (resi   5 and name H2'' )  3.83  1.00  1.00 
assi (resi   7 and name H6   )
     (resi   5 and name H1'  )  5.15  1.03  1.03 


     
!intra6     
assi (resi   6 and name h1'  )
     (resi   6 and name h5'* )  4.37  0.87  0.87 
assi (resi   6 and name H1'  )
     (resi   6 and name H2'' )  2.61  0.52  0.52 
assi (resi   6 and name h1'  )
     (resi   6 and name h5'* )  4.44  0.89  0.89 
assi (resi   6 and name h6   )
     (resi   6 and name h5'* )  3.49  0.70  0.70 
assi (resi   6 and name h6   )
     (resi   6 and name h5'* )  3.72  1.00  1.00 
assi (resi   6 and name H6   )
     (resi   6 and name H2'  )  2.75  2.00  2.00 
assi (resi   6 and name H1'  )
     (resi   6 and name H2'  )  2.86  0.57  0.57 
assi (resi   6 and name H6   )
     (resi   6 and name H1'  )  3.39  0.68  0.68 
assi (resi   6 and name H6   )
     (resi   6 and name H2'' )  2.98  1.20  1.20 
assi (resi   6 and name H1'  )
     (resi   6 and name H3'  )  3.62  0.72  0.72 
assi (resi   6 and name h1'  )
     (resi   6 and name h4'  )  3.27  0.65  0.65 
assi (resi   6 and name h3'  )
     (resi   6 and name h2'  )  2.49  0.50  0.50 
assi (resi   6 and name H6   )
     (resi   6 and name H3'  )  3.63  0.73  0.73 

!inter6-7
assi (resi   6 and name h6   )
     (resi   7 and name h5'* )  5.73  1.15  1.15 
assi (resi   7 and name H6   )
     (resi   6 and name H3'  )  3.76  0.75  0.75 
assi (resi   6 and name h6   )
     (resi   7 and name h5'* )  5.48  1.10  1.10 
assi (resi   6 and name h1'  )
     (resi   7 and name h5'* )  3.29  0.66  0.66 
assi (resi   6 and name h1'  )
     (resi   7 and name h5'* )  3.64  0.73  0.73 
assi (resi   7 and name H6   )
     (resi   6 and name H2'' )  3.27  0.80  0.80 
assi (resi   7 and name H6   )
     (resi   6 and name H1'  )  5.10  1.02  1.02 
assi (resi   7 and name h4'  )
     (resi   6 and name h2'' )  3.77  1.50  1.50 
assi (resi   6 and name H6   )
     (resi   7 and name H6   )  5.60  1.12  1.12 

!intra7
assi (resi   7 and name h6   )
     (resi   7 and name h1'  )  3.49  0.70  0.70 
assi (resi   7 and name h4'  )
     (resi   7 and name h2'' )  3.87  0.77  0.77 
assi (resi   7 and name h6   )
     (resi   7 and name h3'  )  3.45  0.69  0.69 
assi (resi   7 and name h5'* )
     (resi   7 and name h4'  )  2.46  0.49  0.49 
assi (resi   7 and name h3'  )
     (resi   7 and name h2'' )  2.58  0.52  0.52 
assi (resi   7 and name h1'  )
     (resi   7 and name h2'  )  2.71  0.54  0.54 
assi (resi   7 and name h3'  )
     (resi   7 and name h2'  )  2.50  0.50  0.50 
assi (resi   7 and name h3'  )
     (resi   7 and name h4'  )  2.77  0.55  0.55 
assi (resi   7 and name h1'  )
     (resi   7 and name h4'  )  3.05  0.61  0.61 
assi (resi   7 and name h6   )
     (resi   7 and name h2'  )  2.57  0.51  0.51 
assi (resi   7 and name h6   )
     (resi   7 and name h5'* )  3.58  0.72  0.72 
assi (resi   7 and name h6   )
     (resi   7 and name h4'  )  4.30  0.86  0.86 
assi (resi   7 and name h5'* )
     (resi   7 and name h4'  )  2.41  0.48  0.48 
assi (resi   7 and name h6   )
     (resi   7 and name h5'* )  3.70  0.74  0.74 
assi (resi   7 and name h4'  )
     (resi   7 and name h2'  )  4.02  0.80  0.80 

!inter7-9
assi (resi   9 and name H8   )
     (resi   7 and name H6   )  5.80  1.16  1.16 
assi (resi   9 and name h8   )
     (resi   7 and name h1'  )  3.88  0.78  0.78 
assi (resi   9 and name h2   )
     (resi   7 and name h4'  )  3.60  0.72  0.72 
assi (resi   9 and name h1'  )
     (resi   7 and name h1'  )  3.46  1.50  1.50 
assi (resi   7 and name h1'  )
     (resi   9 and name h2'  )  2.98  0.60  0.60 
assi (resi   9 and name h2   )
     (resi   7 and name h3'  )  4.97  0.99  0.99 
assi (resi   9 and name h2   )
     (resi   7 and name h1'  )  5.06  1.01  1.01 

!inter7-10
assi (resi  10 and name h8   )
     (resi   7 and name h1'  )  5.79  1.16  1.16 
     
!intra8      
assi (resi   8 and name h6   )
     (resi   8 and name h5'* )  3.91  0.78  0.78 
assi (resi   8 and name H1'  )
     (resi   8 and name H3'  )  4.08  0.82  0.82 
assi (resi   8 and name h6   )
     (resi   8 and name h5'* )  3.67  0.73  0.73 
assi (resi   8 and name h1'  )
     (resi   8 and name h5'* )  4.75  0.95  0.95 
assi (resi   8 and name H6   )
     (resi   8 and name H2'  )  2.49  0.50  0.50 
assi (resi   8 and name h1'  )
     (resi   8 and name h5'* )  4.78  0.96  0.96 
assi (resi   8 and name h1'  )
     (resi   8 and name h4'  )  3.27  0.65  0.65 
assi (resi   8 and name H6   )
     (resi   8 and name H2'' )  2.79  1.10  1.10 
assi (resi   8 and name h6   )
     (resi   8 and name h4'  )  4.30  0.86  0.86 
assi (resi   8 and name H1'  )
     (resi   8 and name H2'' )  2.57  0.51  0.51 
assi (resi   8 and name H6   )
     (resi   8 and name H1'  )  3.17  0.63  0.63 
assi (resi   8 and name H6   )
     (resi   8 and name H3'  )  4.04  0.81  0.81 
assi (resi   8 and name H1'  )
     (resi   8 and name H2'  )  2.87  0.57  0.57 

!inter8-9

assi (resi   8 and name h4'  )
     (resi   9 and name h2'  )  3.20  0.64  0.64 
assi (resi   9 and name h1'  )
     (resi   8 and name h5'* )  4.25  0.85  0.85 
assi (resi   9 and name H2   )
     (resi   8 and name H3'  )  3.55  0.71  0.71 
assi (resi   9 and name h1'  )
     (resi   8 and name h4'  )  4.32  1.50  1.50 
assi (resi   9 and name h8   )
     (resi   8 and name h4'  )  5.44  2.00  2.00 
assi (resi   9 and name h2   )
     (resi   8 and name h4'  )  4.59  1.30  1.30 
assi (resi   9 and name h2   )
     (resi   8 and name h5'* )  3.88  0.78  0.78 
assi (resi   9 and name h2   )
     (resi   8 and name h5'* )  3.65  0.73  0.73 
assi (resi   9 and name H2   )
     (resi   8 and name H1'  )  5.80  1.80  1.80 
assi (resi   9 and name H2   )
     (resi   8 and name H6   )  4.67  0.93  0.93 

!intra9
assi (resi   9 and name H8   )
     (resi   9 and name H3'  )  4.48  1.35  1.35 
assi (resi   9 and name H1'  )
     (resi   9 and name H2'  )  2.96  0.59  0.59 
assi (resi   9 and name h5'* )
     (resi   9 and name h2'  )  2.94  0.59  0.59 
assi (resi   9 and name H1'  )
     (resi   9 and name H2'' )  2.55  0.51  0.51 
assi (resi   9 and name H8   )
     (resi   9 and name H1'  )  2.46  0.49  0.49 
assi (resi   9 and name h1'  )
     (resi   9 and name h5'* )  4.21  0.84  0.84 
assi (resi   9 and name H1'  )
     (resi   9 and name H3'  )  3.41  0.68  0.68 
assi (resi   9 and name h2   )
     (resi   9 and name h5'* )  3.96  0.79  0.79 
assi (resi   9 and name H8   )
     (resi   9 and name H2'  )  3.78  0.76  0.76 
assi (resi   9 and name H2   )
     (resi   9 and name H2'  )  4.18  0.84  0.84 
assi (resi   9 and name h5'* )
     (resi   9 and name h2'' )  2.95  1.30  1.30 
assi (resi   9 and name h8   )
     (resi   9 and name h5'* )  4.89  0.98  0.98 
assi (resi   9 and name h1'  )
     (resi   9 and name h5'* )  4.15  0.83  0.83 
assi (resi   9 and name h1'  )
     (resi   9 and name h4'  )  3.39  0.68  0.68 
assi (resi   9 and name H2   )
     (resi   9 and name H3'  )  4.58  0.92  0.92 
assi (resi   9 and name H8   )
     (resi   9 and name H2'' )  3.13  1.00  1.00 

!inter9-10
assi (resi  10 and name H8   )
     (resi   9 and name H1'  )  2.58  0.52  0.52 
assi (resi  10 and name H8   )
     (resi   9 and name H2'' )  3.21  0.64  0.64 
assi (resi  10 and name H8   )
     (resi   9 and name H2'  )  4.16  0.83  0.83 
assi (resi  10 and name H8   )
     (resi   9 and name H3'  )  4.19  1.10  1.10 
assi (resi   9 and name H8   )
     (resi  10 and name H8   )  3.39  1.35  1.35 

!inter9-12
assi (resi   9 and name H2   )
     (resi  12 and name H8   )  3.93  1.4  1.4 !!
assi (resi   9 and name H2   )
     (resi  12 and name H2'  )  3.23  0.65  0.65 
assi (resi   9 and name H2   )
     (resi  12 and name H1'  )  3.57  0.71  0.71 
assi (resi   9 and name H2   )
     (resi  12 and name H2'' )  2.93  0.59  0.59 
assi (resi   9 and name H2   )
     (resi  12 and name H3'  )  4.42  0.88  0.88 

!intra10
assi (resi  10 and name H1'  )
     (resi  10 and name H2'  )  2.74  0.55  0.55 
assi (resi  10 and name H1'  )
     (resi  10 and name H2'' )  2.59  0.52  0.52 
assi (resi  10 and name h5'* )
     (resi  10 and name h2'  )  4.02  0.80  0.80 
assi (resi  10 and name h5'* )
     (resi  10 and name h2'' )  4.36  0.87  0.87 
assi (resi  10 and name h8   )
     (resi  10 and name h5'* )  4.21  0.84  0.84 
assi (resi  10 and name H8   )
     (resi  10 and name H2'' )  3.44  1.20  1.20 
assi (resi  10 and name h8   )
     (resi  10 and name h5'* )  3.66  0.73  0.73 
assi (resi  10 and name H8   )
     (resi  10 and name H1'  )  3.72  0.74  0.74 
assi (resi  10 and name H8   )
     (resi  10 and name H3'  )  4.62  0.92  0.92 
assi (resi  10 and name H8   )
     (resi  10 and name H2'  )  3.73  0.75  0.75 
assi (resi  10 and name H1'  )
     (resi  10 and name H3'  )  3.43  0.69  0.69 
assi (resi  10 and name h4'  )
     (resi  10 and name h5'* )  2.41  0.48  0.48 
assi (resi  10 and name h1'  )
     (resi  10 and name h5'* )  4.43  0.89  0.89 
assi (resi  10 and name h1'  )
     (resi  10 and name h5'* )  4.42  0.88  0.88 
assi (resi  10 and name h3'  )
     (resi  10 and name h5'* )  2.72  0.54  0.54 
assi (resi  10 and name h8   )
     (resi  10 and name h4'  )  3.25  1.20  1.20 
assi (resi  10 and name h3'  )
     (resi  10 and name h4'  )  2.63  0.53  0.53 
assi (resi  10 and name h3'  )
     (resi  10 and name h2'  )  2.48  0.50  0.50 
assi (resi  10 and name h1'  )
     (resi  10 and name h4'  )  3.31  0.66  0.66 
assi (resi  10 and name h3'  )
     (resi  10 and name h5'* )  3.07  0.95  0.95 
assi (resi  10 and name h3'  )
     (resi  10 and name h2'' )  2.56  0.51  0.51 

!inter10-11
assi (resi  11 and name h8   )
     (resi  10 and name h5'* )  4.03  0.81  0.81 
assi (resi  11 and name h8   )
     (resi  10 and name h5'* )  4.69  0.94  0.94 
     
!intra11     
assi (resi  11 and name h8   )
     (resi  11 and name h4'  )  4.79  0.96  0.96 
assi (resi  11 and name H8   )
     (resi  11 and name H3'  )  4.34  1.55  1.55 
assi (resi  11 and name H1'  )
     (resi  11 and name H2'' )  2.58  0.52  0.52 
assi (resi  11 and name h8   )
     (resi  11 and name h2'' )  3.34  0.90  0.90 
assi (resi  11 and name H1'  )
     (resi  11 and name H3'  )  3.36  0.67  0.67 
assi (resi  11 and name H1'  )
     (resi  11 and name H2'  )  2.88  0.58  0.58 
assi (resi  11 and name H8   )
     (resi  11 and name H2'  )  3.89  0.78  0.78 
assi (resi  11 and name H8   )
     (resi  11 and name H1'  )  2.44  0.49  0.49 

!inter11-12
assi (resi  11 and name H8   )
     (resi  12 and name H1'  )  4.18  0.84  0.84 
assi (resi  12 and name H8   )
     (resi  11 and name H3'  )  3.81  1.20  1.20 
assi (resi  11 and name H1'  )
     (resi  12 and name H3'  )  3.90  0.78  0.78 
assi (resi  11 and name H8   )
     (resi  12 and name H3'  )  4.91  1.50  1.50 
assi (resi  12 and name H8   )
     (resi  11 and name H1'  )  3.76  0.75  0.75 
assi (resi  11 and name h8   )
     (resi  12 and name h4'  )  4.32  0.86  0.86 
assi (resi  12 and name H8   )
     (resi  11 and name H2'  )  3.11  0.62  0.62 

!intra12
assi (resi  12 and name H8   )
     (resi  12 and name H1'  )  3.42  0.68  0.68 
assi (resi  12 and name h3'  )
     (resi  12 and name h4'  )  2.59  0.52  0.52 
assi (resi  12 and name h3'  )
     (resi  12 and name h2'  )  2.36  0.47  0.47 
assi (resi  12 and name h3'  )
     (resi  12 and name h2'' )  2.42  0.48  0.48 
assi (resi  12 and name h1'  )
     (resi  12 and name h4'  )  2.85  0.57  0.57 
assi (resi  12 and name h8   )
     (resi  12 and name h4'  )  4.57  0.91  0.91 
assi (resi  12 and name H1'  )
     (resi  12 and name H3'  )  3.22  0.64  0.64 
assi (resi  12 and name H8   )
     (resi  12 and name H2'' )  2.74  1.20  1.20 
assi (resi  12 and name H8   )
     (resi  12 and name H3'  )  3.44  0.69  0.69 


b) NON-EXCHANGEABLE, METHYL GROUPS:


!inter 1-7

assi (resi   1 and name H2   )
     (resi   7 and name h5#  )  3.99  2.20  2.20 
assi (resi   1 and name H8   )
     (resi   7 and name h5#  )  5.12  2.20  2.20 

!inter 2-5
assi (resi   2 and name H8   )
     (resi   5 and name h5#  )  4.02  1.30  1.30 
assi (resi   2 and name H2   )
     (resi   5 and name h5#  )  5.80  3.00  3.00 
     
!inter 2-7
assi (resi   2 and name H8   )
     (resi   7 and name h5#  )  5.80  1.16  1.16 

!inter 3-5     
assi (resi   3 and name H8   )
     (resi   5 and name h5#  )  5.80  1.16  1.16 

!inter 4-5     
assi (resi   4 and name H8   )
     (resi   5 and name h5#  )  3.76  1.00  1.00 
assi (resi   4 and name h2'' )
     (resi   5 and name h5#  )  3.79  0.76  0.76 
assi (resi   4 and name h3'  )
     (resi   5 and name h5#  )  4.24  0.85  0.85 
assi (resi   4 and name H1'  )
     (resi   5 and name h5#  )  4.38  0.88  0.88 

!inter 4-7     
assi (resi   4 and name H1'  )
     (resi   7 and name h5#  )  5.80  1.60  1.60 

!intra5     
assi (resi   5 and name H6   )
     (resi   5 and name h5#  )  3.03  0.61  0.61 
assi (resi   5 and name H1'  )
     (resi   5 and name h5#  )  5.80  1.16  1.16 
assi (resi   5 and name h2'' )
     (resi   5 and name h5#  )  5.18  1.04  1.04 
assi (resi   5 and name h2'  )
     (resi   5 and name h5#  )  3.32  0.66  0.66 

!inter 5-6
assi (resi   5 and name H1'  )
     (resi   6 and name h5#  )  3.90  1.00  1.00 
assi (resi   5 and name h4'  )
     (resi   6 and name h5#  )  3.09  0.95  0.95 
assi (resi   5 and name H6   )
     (resi   6 and name h5#  )  5.51  1.10  1.10 
     
!intra 5-7
assi (resi   5 and name H6   )
     (resi   7 and name h5#  )  3.47  0.69  0.69 
assi (resi   5 and name H1'  )
     (resi   7 and name h5#  )  4.15  0.83  0.83 
assi (resi   7 and name H6   )
     (resi   5 and name h5#  )  5.80  1.16  1.16 
assi (resi   5 and name h2'  )
     (resi   7 and name h5#  )  3.53  1.75  1.75 
assi (resi   5 and name h2'' )
     (resi   7 and name h5#  )  3.50  1.60  1.60 
assi (resi   7 and name h5#  )
     (resi   5 and name h5#  )  4.29  1.30  1.30 

!intra 5-9     
assi (resi   9 and name H8   )
     (resi   5 and name h5#  )  5.80  1.50  1.50 

!intra 6     
assi (resi   6 and name H6   )
     (resi   6 and name h5#  )  2.98  0.60  0.60 
assi (resi   6 and name H1'  )
     (resi   6 and name h5#  )  4.94  0.99  0.99 
assi (resi   6 and name h3'  )
     (resi   6 and name h5#  )  4.15  1.20  1.20 

!inter 6-7     
assi (resi   6 and name H1'  )
     (resi   7 and name h5#  )  5.52  1.10  1.10 
assi (resi   6 and name H6   )
     (resi   7 and name h5#  )  5.80  1.16  1.16 
assi (resi   6 and name h4'  )
     (resi   7 and name h5#  )  4.49  1.72  1.72 
assi (resi   6 and name h3'  )
     (resi   7 and name h5#  )  3.54  1.20  1.20 
assi (resi   6 and name h2'' )
     (resi   7 and name h5#  )  3.92  1.10  1.10 

!intra 7     
assi (resi   7 and name H6   )
     (resi   7 and name h5#  )  3.00  0.60  0.60 
     
!intra 8
assi (resi   8 and name H1'  )
     (resi   8 and name h5#  )  5.43  1.09  1.09 
assi (resi   8 and name H6   )
     (resi   8 and name h5#  )  2.95  0.59  0.59 
assi (resi   8 and name h2'  )
     (resi   8 and name h5#  )  4.45  0.89  0.89 

c) EXCHANGEABLE:

!imino proton of the T5 

!strong

assign (resid 5  and name H3) (resid 9   and name H8 )  2.5 1.1 1.1
!medium
assign (resid 5  and name H3) (resid 4   and name H1 )  3.5 1.0 1.0
!weak
assign (resid 5  and name H3) (resid 9   and name H1')  4.5 2.0 2.0
assign (resid 5  and name H3) (resid 7   and name H6 )  4.5 2.0 2.0
assign (resid 5  and name H3) (resid 5   and name H1')  4.5 1.0 1.0
assign (resid 5  and name H3) (resid 5   and name H5#)  4.5 1.0 1.0
assign (resid 5  and name H3) (resid 7   and name H5#)  4.5 2.0 2.0 
assign (resid 5  and name H3) (resid 12  and name H8 )  4.5 2.0 2.0 

!imino proton of the T7 

!strong
assign  (resid 7  and name H3) (resid 2   and name H8 ) 2.5 1.0 1.0
assign  (resid 7  and name H3) (resid 2   and name H61) 2.5 1.0 1.0
!medium
assign (resid  7  and name H3) (resid 2   and name H62) 3.5 2.0 2.0
assign (resid  7  and name H3) (resid 5   and name H5#) 3.5 2.0 2.0
!weak
assign (resid  7  and name H3) (resid 9   and name H8 ) 4.5 1.0 1.0
assign (resid  7  and name H3) (resid 9   and name H1') 4.5 2.0 2.0
assign (resid  7  and name H3) (resid 7   and name H5#) 4.5 1.0 1.0

!imino proton of G12  

!medium
assign (resid 12  and name H1) (resid 10  and name H8 ) 3.5 1.0 1.0
assign (resid 12  and name H1) (resid 9   and name H1') 3.5 1.0 1.0
!weak
assign (resid 12  and name H1) (resid 11  and name H8 ) 4.5 1.0 1.0
assign (resid 12  and name H1) (resid 9   and name H8 ) 4.5 1.0 1.0
!imino proton of G11 
!strong
assign (resid 11  and name H1) (resid 10  and name H1') 2.5 1.5 1.5
assign (resid 11  and name H1) (resid 11  and name H2#) 2.5 1.0 1.0
!medium
assign (resid 11  and name H1) (resid 10  and name H8)  3.5 1.0 1.0
assign (resid 11  and name H1) (resid  3  and name H1)  3.5 1.0 1.0
!weak
assign (resid 11  and name H1) (resid  3  and name H8)    4.5 2.0 2.0
assign (resid 11  and name H1) (resid  9  and name H1' )  4.5 1.0 1.0
assign (resid 11  and name H1) (resid 10  and name H2'*)  4.5 1.0 1.0

! imino proton of G4 

!strong
assign (resid  4  and name H1) (resid 9   and name H8)  2.5 1.5 1.5
assign (resid  4  and name H1) (resid 11  and name H1)  2.5 1.5 1.5
!medium
assign (resid  4  and name H1) (resid 12  and name H8 ) 3.5 2.0 2.0
assign (resid  4  and name H1) (resid  9  and name H1') 3.5 2.0 2.0
assign (resid  4  and name H1) (resid 11  and name H2#) 3.5 1.0 1.0
!weak
assign (resid  4  and name H1) (resid 10  and name H8 ) 4.5 2.0 2.0
assign (resid  4  and name H1) (resid 10  and name H1') 4.5 2.0 2.0
assign (resid  4  and name H1) (resid  5  and name H5#) 4.5 2.0 2.0 
assign (resid  4  and name H1) (resid  3  and name H1 ) 4.5 1.0 1.0

!imino proton of G3 

!medium
assign (resid  3  and name H1) (resid  4  and name H8 ) 3.5 2.0 2.0
assign (resid  3  and name H1) (resid  5  and name H5#) 3.5 2.0 2.0
!weak
assign (resid  3  and name H1) (resid  9  and name H8  ) 4.5 1.0 1.0
assign (resid  3  and name H1) (resid  9  and name H1' ) 4.5 2.0 2.0
assign (resid  3  and name H1) (resid  3  and name H1' ) 4.5 2.0 2.0
assign (resid  3  and name H1) (resid  3  and name H2*') 4.5 1.0 1.0
assign (resid  3  and name H1) (resid 10  and name H1' ) 4.5 2.0 2.0






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    A   1          1H5*        A   1  12.077   8.777  -0.568
    2   2H5*    A   1          2H5*        A   1  13.297  10.060  -0.498
    3    H4*    A   1           H4*        A   1  12.300  10.929   1.587
    4    H3*    A   1           H3*        A   1  11.042   8.382   1.720
    5    H1*    A   1           H1*        A   1   9.029  11.723   0.861
    6    H8     A   1           H8         A   1   6.920  11.632  -0.496
    7   1H6     A   1          1H6         A   1   6.459   9.780  -4.944
    8   2H6     A   1          2H6         A   1   7.526   8.842  -5.966
    9    H2     A   1           H2         A   1  11.327   8.226  -3.623
   10    H5T    A   1           H5T        A   1  13.999   9.176   1.487
   11   1H2*    A   1          1H2*        A   1   9.057   8.792   0.698
   12   2H2*    A   1          2H2*        A   1   8.688   9.860   2.079
   13   1H5*    A   2          1H5*        A   2   8.606  11.548   3.936
   14   2H5*    A   2          2H5*        A   2   8.040  10.874   5.474
   15    H4*    A   2           H4*        A   2   6.175  11.871   4.285
   16    H3*    A   2           H3*        A   2   6.271   8.922   4.704
   17    H1*    A   2           H1*        A   2   4.487  11.074   1.945
   18    H8     A   2           H8         A   2   6.609   7.862   1.385
   19   1H6     A   2          1H6         A   2   5.632   7.281  -3.265
   20   2H6     A   2          2H6         A   2   4.668   8.176  -4.419
   21    H2     A   2           H2         A   2   3.052  11.764  -2.221
   22   1H2*    A   2          1H2*        A   2   4.964   8.354   2.986
   23   2H2*    A   2          2H2*        A   2   3.752   9.567   3.470
   24   1H5*    G   3          1H5*        G   3   2.241   8.416   4.972
   25   2H5*    G   3          2H5*        G   3   2.593  10.161   4.939
   26    H4*    G   3           H4*        G   3   0.575  10.612   6.243
   27    H3*    G   3           H3*        G   3   0.821   7.951   7.040
   28    H1*    G   3           H1*        G   3  -2.000   9.128   4.512
   29    H8     G   3           H8         G   3  -2.624   8.684   2.081
   30    H1     G   3           H1         G   3   1.805   4.154   1.428
   31   1H2     G   3          1H2         G   3   2.984   5.328   4.518
   32   2H2     G   3          2H2         G   3   3.170   4.175   3.219
   33   1H2*    G   3          1H2*        G   3  -0.192   6.887   5.299
   34   2H2*    G   3          2H2*        G   3  -1.714   7.441   6.059
   35   1H5*    G   4          1H5*        G   4  -3.241   9.958   6.496
   36   2H5*    G   4          2H5*        G   4  -4.438   9.460   7.708
   37    H4*    G   4           H4*        G   4  -5.426   9.555   5.448
   38    H3*    G   4           H3*        G   4  -5.178   7.004   6.973
   39    H1*    G   4           H1*        G   4  -5.502   7.708   3.123
   40    H8     G   4           H8         G   4  -3.144   5.431   5.157
   41    H1     G   4           H1         G   4  -3.891   3.608  -0.887
   42   1H2     G   4          1H2         G   4  -5.978   6.398  -1.166
   43   2H2     G   4          2H2         G   4  -5.282   4.992  -1.943
   44   1H2*    G   4          1H2*        G   4  -5.714   5.688   5.210
   45   2H2*    G   4          2H2*        G   4  -6.947   6.847   4.628
   46   1H5*    T   5          1H5*        T   5  -8.633   8.440   5.166
   47   2H5*    T   5          2H5*        T   5 -10.278   8.162   5.770
   48    H4*    T   5           H4*        T   5 -10.090   7.992   3.298
   49    H3*    T   5           H3*        T   5 -11.303   6.130   5.115
   50   1H2*    T   5          1H2*        T   5 -10.339   4.208   4.326
   51   2H2*    T   5          2H2*        T   5 -11.312   4.467   2.854
   52    H1*    T   5           H1*        T   5  -9.503   5.380   1.694
   53    H3     T   5           H3         T   5  -6.801   1.868   1.036
   54   1H5M    T   5          1H5M        T   5  -5.548   1.658   5.478
   55   2H5M    T   5          2H5M        T   5  -7.045   2.222   6.257
   56   3H5M    T   5          3H5M        T   5  -5.726   3.370   5.929
   57    H6     T   5           H6         T   5  -8.075   4.319   4.955
   58   1H5*    T   6          1H5*        T   6 -15.963   6.714   0.899
   59   2H5*    T   6          2H5*        T   6 -15.674   5.226   1.815
   60    H4*    T   6           H4*        T   6 -15.503   4.899  -0.663
   61    H3*    T   6           H3*        T   6 -13.615   4.050   1.318
   62   1H2*    T   6          1H2*        T   6 -11.701   4.915   0.461
   63   2H2*    T   6          2H2*        T   6 -11.900   3.748  -0.869
   64    H1*    T   6           H1*        T   6 -12.676   5.388  -2.317
   65    H3     T   6           H3         T   6  -9.059   7.949  -2.833
   66   1H5M    T   6          1H5M        T   6 -11.182   9.083   2.013
   67   2H5M    T   6          2H5M        T   6 -11.107  10.478   0.912
   68   3H5M    T   6          3H5M        T   6  -9.603   9.738   1.512
   69    H6     T   6           H6         T   6 -12.278   7.505   0.711
   70   1H5*    T   7          1H5*        T   7 -12.957   1.604  -1.865
   71   2H5*    T   7          2H5*        T   7 -13.830   0.068  -1.999
   72    H4*    T   7           H4*        T   7 -11.426  -0.022  -2.812
   73    H3*    T   7           H3*        T   7 -12.912  -1.850  -1.263
   74   1H2*    T   7          1H2*        T   7 -11.651  -1.821   0.669
   75   2H2*    T   7          2H2*        T   7 -10.513  -2.825  -0.282
   76    H1*    T   7           H1*        T   7  -9.101  -1.038  -0.653
   77    H3     T   7           H3         T   7  -7.526  -0.788   3.518
   78   1H5M    T   7          1H5M        T   7 -11.089   1.754   4.992
   79   2H5M    T   7          2H5M        T   7 -12.390   0.894   4.138
   80   3H5M    T   7          3H5M        T   7 -11.735   2.407   3.468
   81    H6     T   7           H6         T   7 -11.591   0.713   1.451
   82   1H5*    T   8          1H5*        T   8  -9.461  -5.028  -1.629
   83   2H5*    T   8          2H5*        T   8  -8.745  -3.734  -2.614
   84    H4*    T   8           H4*        T   8  -7.465  -5.900  -2.686
   85    H3*    T   8           H3*        T   8  -8.129  -4.156  -4.780
   86   1H2*    T   8          1H2*        T   8  -9.472  -5.489  -6.088
   87   2H2*    T   8          2H2*        T   8  -7.962  -6.343  -6.499
   88    H1*    T   8           H1*        T   8  -8.437  -8.106  -5.120
   89    H3     T   8           H3         T   8 -12.054 -10.216  -6.600
   90   1H5M    T   8          1H5M        T   8 -14.865  -6.634  -5.815
   91   2H5M    T   8          2H5M        T   8 -13.734  -5.297  -6.132
   92   3H5M    T   8          3H5M        T   8 -14.023  -5.840  -4.463
   93    H6     T   8           H6         T   8 -11.399  -5.798  -4.826
   94   1H5*    A   9          1H5*        A   9  -5.938  -2.653  -5.077
   95   2H5*    A   9          2H5*        A   9  -4.405  -1.988  -5.673
   96    H4*    A   9           H4*        A   9  -3.276  -3.083  -3.671
   97    H3*    A   9           H3*        A   9  -5.897  -4.187  -3.298
   98    H1*    A   9           H1*        A   9  -4.258  -1.363  -1.056
   99    H8     A   9           H8         A   9  -5.214   0.642   0.052
  100   1H6     A   9          1H6         A   9 -10.229   2.984  -2.591
  101   2H6     A   9          2H6         A   9  -9.085   3.141  -1.264
  102    H2     A   9           H2         A   9  -8.971  -0.690  -4.941
  103   1H2*    A   9          1H2*        A   9  -6.803  -2.622  -1.938
  104   2H2*    A   9          2H2*        A   9  -5.623  -3.181  -0.715
  105   1H5*    A  10          1H5*        A  10  -1.420  -5.213  -2.973
  106   2H5*    A  10          2H5*        A  10  -0.887  -6.896  -2.952
  107    H4*    A  10           H4*        A  10   0.650  -5.846  -1.464
  108    H3*    A  10           H3*        A  10  -1.402  -7.434  -0.170
  109    H1*    A  10           H1*        A  10   0.415  -4.237   1.176
  110    H8     A  10           H8         A  10  -2.192  -2.476  -0.368
  111   1H6     A  10          1H6         A  10  -4.206  -0.140   3.383
  112   2H6     A  10          2H6         A  10  -4.108  -0.380   5.113
  113    H2     A  10           H2         A  10  -1.457  -3.929   5.807
  114   1H2*    A  10          1H2*        A  10  -2.042  -5.898   1.399
  115   2H2*    A  10          2H2*        A  10  -0.423  -6.144   2.115
  116   1H5*    G  11          1H5*        G  11   0.832  -8.044  -3.606
  117   2H5*    G  11          2H5*        G  11   2.476  -8.665  -3.358
  118    H4*    G  11           H4*        G  11   2.683  -7.142  -5.128
  119    H3*    G  11           H3*        G  11   3.664  -6.237  -2.501
  120    H1*    G  11           H1*        G  11   2.388  -4.255  -5.618
  121    H8     G  11           H8         G  11   0.447  -2.637  -5.961
  122    H1     G  11           H1         G  11   0.391  -0.913   0.167
  123   1H2     G  11          1H2         G  11   2.674  -3.536   0.597
  124   2H2     G  11          2H2         G  11   1.763  -2.244   1.348
  125   1H2*    G  11          1H2*        G  11   3.245  -4.056  -2.778
  126   2H2*    G  11          2H2*        G  11   4.216  -4.065  -4.279
  127   1H5*    G  12          1H5*        G  12   4.196  -5.417  -6.460
  128   2H5*    G  12          2H5*        G  12   5.812  -5.414  -7.198
  129    H4*    G  12           H4*        G  12   4.340  -3.926  -8.469
  130    H3*    G  12           H3*        G  12   6.741  -3.098  -7.120
  131    H1*    G  12           H1*        G  12   3.485  -0.958  -7.682
  132    H8     G  12           H8         G  12   5.068  -1.632  -4.197
  133    H1     G  12           H1         G  12   0.097   2.346  -4.097
  134   1H2     G  12          1H2         G  12  -0.066   1.713  -7.538
  135   2H2     G  12          2H2         G  12  -0.751   2.552  -6.166
  136   1H2*    G  12          1H2*        G  12   6.060  -1.165  -6.232
  137   2H2*    G  12          2H2*        G  12   5.713  -0.587  -7.888
  138    HO3    G  12           HO3        G  12   6.923  -1.940  -9.167
  139   1H5*    A   1          1H5*        A   1 -12.316  -2.709   5.739
  140   2H5*    A   1          2H5*        A   1 -13.395  -3.721   6.714
  141    H4*    A   1           H4*        A   1 -11.853  -3.550   8.638
  142    H3*    A   1           H3*        A   1 -10.770  -1.340   7.213
  143    H1*    A   1           H1*        A   1  -8.825  -4.808   7.587
  144    H8     A   1           H8         A   1  -7.135  -5.514   5.872
  145   1H6     A   1          1H6         A   1  -7.926  -6.052   1.128
  146   2H6     A   1          2H6         A   1  -9.274  -5.651   0.086
  147    H2     A   1           H2         A   1 -12.397  -3.742   2.717
  148    H5T    A   1           H5T        A   1 -12.649  -1.253   7.766
  149   1H2*    A   1          1H2*        A   1  -9.082  -2.317   6.054
  150   2H2*    A   1          2H2*        A   1  -8.310  -2.615   7.635
  151   1H5*    A   2          1H5*        A   2  -7.655  -3.209   9.983
  152   2H5*    A   2          2H5*        A   2  -6.767  -1.920  10.812
  153    H4*    A   2           H4*        A   2  -5.198  -3.483   9.822
  154    H3*    A   2           H3*        A   2  -5.379  -0.695   8.786
  155    H1*    A   2           H1*        A   2  -4.207  -4.015   7.047
  156    H8     A   2           H8         A   2  -6.608  -1.333   5.572
  157   1H6     A   2          1H6         A   2  -6.870  -3.115   1.136
  158   2H6     A   2          2H6         A   2  -6.170  -4.514   0.352
  159    H2     A   2           H2         A   2  -3.823  -6.708   3.513
  160   1H2*    A   2          1H2*        A   2  -4.586  -1.105   6.741
  161   2H2*    A   2          2H2*        A   2  -3.215  -2.013   7.424
  162   1H5*    G   3          1H5*        G   3  -1.454  -0.388   7.757
  163   2H5*    G   3          2H5*        G   3  -1.687  -1.908   8.657
  164    H4*    G   3           H4*        G   3   0.619  -1.809   9.460
  165    H3*    G   3           H3*        G   3   0.409   0.918   8.918
  166    H1*    G   3           H1*        G   3   2.575  -1.507   6.647
  167    H8     G   3           H8         G   3   2.538  -2.323   4.233
  168    H1     G   3           H1         G   3  -2.200   1.619   2.628
  169   1H2     G   3          1H2         G   3  -2.485   2.148   6.085
  170   2H2     G   3          2H2         G   3  -3.067   2.547   4.487
  171   1H2*    G   3          1H2*        G   3   0.880   0.951   6.690
  172   2H2*    G   3          2H2*        G   3   2.577   0.729   7.213
  173   1H5*    G   4          1H5*        G   4   4.325  -1.365   8.402
  174   2H5*    G   4          2H5*        G   4   5.753  -0.427   8.883
  175    H4*    G   4           H4*        G   4   6.146  -1.656   6.779
  176    H3*    G   4           H3*        G   4   6.122   1.323   6.903
  177    H1*    G   4           H1*        G   4   5.515  -1.157   3.920
  178    H8     G   4           H8         G   4   3.600   1.964   5.132
  179    H1     G   4           H1         G   4   2.685   0.618  -1.013
  180   1H2     G   4          1H2         G   4   4.813  -2.095  -0.436
  181   2H2     G   4          2H2         G   4   3.853  -1.189  -1.587
  182   1H2*    G   4          1H2*        G   4   6.112   1.596   4.655
  183   2H2*    G   4          2H2*        G   4   7.232   0.223   4.411
  184   1H5*    T   5          1H5*        T   5   9.100  -1.025   5.202
  185   2H5*    T   5          2H5*        T   5  10.822  -0.600   5.164
  186    H4*    T   5           H4*        T   5  10.008  -1.622   3.050
  187    H3*    T   5           H3*        T   5  11.515   0.799   3.383
  188   1H2*    T   5          1H2*        T   5  10.260   2.167   2.042
  189   2H2*    T   5          2H2*        T   5  10.847   1.172   0.683
  190    H1*    T   5           H1*        T   5   8.869  -0.064   0.598
  191    H3     T   5           H3         T   5   5.864   2.872  -0.958
  192   1H5M    T   5          1H5M        T   5   6.183   3.966   4.157
  193   2H5M    T   5          2H5M        T   5   5.733   5.244   3.003
  194   3H5M    T   5          3H5M        T   5   7.427   5.069   3.522
  195    H6     T   5           H6         T   5   8.240   2.520   3.192
  196   1H5*    T   6          1H5*        T   6  14.995  -2.035  -1.053
  197   2H5*    T   6          2H5*        T   6  14.849  -0.275  -0.923
  198    H4*    T   6           H4*        T   6  14.040  -1.163  -3.121
  199    H3*    T   6           H3*        T   6  12.659   0.652  -1.387
  200   1H2*    T   6          1H2*        T   6  10.651  -0.391  -1.214
  201   2H2*    T   6          2H2*        T   6  10.433  -0.019  -2.942
  202    H1*    T   6           H1*        T   6  10.926  -2.199  -3.569
  203    H3     T   6           H3         T   6   7.471  -4.452  -1.869
  204   1H5M    T   6          1H5M        T   6  10.540  -5.013   1.981
  205   2H5M    T   6          2H5M        T   6   9.206  -3.958   2.508
  206   3H5M    T   6          3H5M        T   6  10.823  -3.272   2.214
  207    H6     T   6           H6         T   6  11.441  -2.576   0.091
  208   1H5*    T   7          1H5*        T   7  11.064   1.312  -5.070
  209   2H5*    T   7          2H5*        T   7  11.773   2.536  -6.138
  210    H4*    T   7           H4*        T   7   9.242   2.382  -6.261
  211    H3*    T   7           H3*        T   7  10.947   4.628  -6.206
  212   1H2*    T   7          1H2*        T   7  10.215   5.610  -4.251
  213   2H2*    T   7          2H2*        T   7   8.812   6.107  -5.246
  214    H1*    T   7           H1*        T   7   7.472   4.457  -4.348
  215    H3     T   7           H3         T   7   7.013   6.337  -0.323
  216   1H5M    T   7          1H5M        T   7  10.997   4.598   1.236
  217   2H5M    T   7          2H5M        T   7  11.980   4.834  -0.227
  218   3H5M    T   7          3H5M        T   7  11.267   3.240   0.118
  219    H6     T   7           H6         T   7  10.519   3.770  -2.364
  220   1H5*    T   8          1H5*        T   8   7.314   7.460  -7.169
  221   2H5*    T   8          2H5*        T   8   6.460   5.902  -7.200
  222    H4*    T   8           H4*        T   8   5.064   7.847  -7.975
  223    H3*    T   8           H3*        T   8   5.294   5.275  -9.069
  224   1H2*    T   8          1H2*        T   8   6.175   5.728 -11.145
  225   2H2*    T   8          2H2*        T   8   4.558   6.378 -11.520
  226    H1*    T   8           H1*        T   8   5.249   8.551 -11.323
  227    H3     T   8           H3         T   8   8.232   9.453 -14.486
  228   1H5M    T   8          1H5M        T   8  11.378   6.511 -12.815
  229   2H5M    T   8          2H5M        T   8  10.293   5.261 -12.162
  230   3H5M    T   8          3H5M        T   8  10.954   6.515 -11.086
  231    H6     T   8           H6         T   8   8.333   6.477 -10.714
  232   1H5*    A   9          1H5*        A   9   3.202   3.960  -8.049
  233   2H5*    A   9          2H5*        A   9   1.615   3.192  -7.847
  234    H4*    A   9           H4*        A   9   0.956   5.183  -6.404
  235    H3*    A   9           H3*        A   9   3.508   6.157  -7.277
  236    H1*    A   9           H1*        A   9   2.673   4.866  -3.627
  237    H8     A   9           H8         A   9   4.004   3.577  -1.975
  238   1H6     A   9          1H6         A   9   8.337  -0.066  -4.336
  239   2H6     A   9          2H6         A   9   7.575   0.505  -2.858
  240    H2     A   9           H2         A   9   6.293   2.109  -7.756
  241   1H2*    A   9          1H2*        A   9   4.827   5.379  -5.611
  242   2H2*    A   9          2H2*        A   9   3.958   6.531  -4.553
  243   1H5*    A  10          1H5*        A  10  -0.801   7.503  -6.371
  244   2H5*    A  10          2H5*        A  10  -1.420   9.021  -7.024
  245    H4*    A  10           H4*        A  10  -2.463   8.916  -4.884
  246    H3*    A  10           H3*        A  10  -0.259  10.791  -5.071
  247    H1*    A  10           H1*        A  10  -1.467   8.756  -1.952
  248    H8     A  10           H8         A  10   0.777   6.304  -3.062
  249   1H6     A  10          1H6         A  10   3.817   5.923   0.707
  250   2H6     A  10          2H6         A  10   4.140   6.968   2.071
  251    H2     A  10           H2         A  10   1.523  10.579   1.623
  252   1H2*    A  10          1H2*        A  10   0.853  10.155  -3.176
  253   2H2*    A  10          2H2*        A  10  -0.546  10.819  -2.285
  254   1H5*    G  11          1H5*        G  11  -3.319   9.826  -7.692
  255   2H5*    G  11          2H5*        G  11  -4.885  10.596  -7.369
  256    H4*    G  11           H4*        G  11  -5.431   8.428  -8.077
  257    H3*    G  11           H3*        G  11  -5.659   8.958  -5.187
  258    H1*    G  11           H1*        G  11  -5.079   5.647  -7.180
  259    H8     G  11           H8         G  11  -3.187   3.939  -7.182
  260    H1     G  11           H1         G  11  -1.480   5.360  -1.215
  261   1H2     G  11          1H2         G  11  -3.749   8.012  -1.535
  262   2H2     G  11          2H2         G  11  -2.596   7.180  -0.515
  263   1H2*    G  11          1H2*        G  11  -5.181   6.889  -4.481
  264   2H2*    G  11          2H2*        G  11  -6.497   6.241  -5.504
  265   1H5*    G  12          1H5*        G  12  -7.110   6.379  -7.989
  266   2H5*    G  12          2H5*        G  12  -8.856   6.132  -8.206
  267    H4*    G  12           H4*        G  12  -7.660   4.126  -8.934
  268    H3*    G  12           H3*        G  12  -9.590   4.194  -6.799
  269    H1*    G  12           H1*        G  12  -6.444   1.841  -7.060
  270    H8     G  12           H8         G  12  -7.140   4.206  -4.057
  271    H1     G  12           H1         G  12  -2.054   0.446  -3.315
  272   1H2     G  12          1H2         G  12  -2.802  -0.657  -6.555
  273   2H2     G  12          2H2         G  12  -1.742  -0.779  -5.171
  274   1H2*    G  12          1H2*        G  12  -8.580   2.890  -5.297
  275   2H2*    G  12          2H2*        G  12  -8.623   1.566  -6.498
  276    HO3    G  12           HO3        G  12  -9.633   3.398  -9.097
  Start of MODEL    2
    1   1H5*    A   1          1H5*        A   1  12.424   8.892  -0.285
    2   2H5*    A   1          2H5*        A   1  12.129   7.630   0.923
    3    H4*    A   1           H4*        A   1  11.653   9.827   1.903
    4    H3*    A   1           H3*        A   1   9.822   7.677   1.829
    5    H1*    A   1           H1*        A   1   8.717  11.439   1.236
    6    H8     A   1           H8         A   1   6.513  11.800  -0.059
    7   1H6     A   1          1H6         A   1   6.813   9.899  -5.923
    8   2H6     A   1          2H6         A   1   5.832  10.732  -4.737
    9    H2     A   1           H2         A   1  10.562   8.587  -3.810
   10    H5T    A   1           H5T        A   1  10.406   8.408  -1.199
   11   1H2*    A   1          1H2*        A   1   8.100   8.605   0.663
   12   2H2*    A   1          2H2*        A   1   7.812   9.571   2.137
   13   1H5*    A   2          1H5*        A   2   8.167  11.047   4.240
   14   2H5*    A   2          2H5*        A   2   7.425  10.541   5.762
   15    H4*    A   2           H4*        A   2   5.908  12.006   4.503
   16    H3*    A   2           H3*        A   2   5.205   9.280   5.272
   17    H1*    A   2           H1*        A   2   4.044  11.146   1.989
   18    H8     A   2           H8         A   2   5.894   7.715   2.034
   19   1H6     A   2          1H6         A   2   5.411   6.746  -2.674
   20   2H6     A   2          2H6         A   2   4.667   7.620  -3.994
   21    H2     A   2           H2         A   2   3.131  11.486  -2.333
   22   1H2*    A   2          1H2*        A   2   4.225   8.570   3.402
   23   2H2*    A   2          2H2*        A   2   3.046   9.897   3.566
   24   1H5*    G   3          1H5*        G   3   1.715   8.879   5.211
   25   2H5*    G   3          2H5*        G   3   1.941  10.633   4.998
   26    H4*    G   3           H4*        G   3  -0.193  11.050   6.127
   27    H3*    G   3           H3*        G   3   0.200   8.482   7.167
   28    H1*    G   3           H1*        G   3  -2.548   9.291   4.444
   29    H8     G   3           H8         G   3  -3.010   8.746   2.000
   30    H1     G   3           H1         G   3   1.466   4.227   1.757
   31   1H2     G   3          1H2         G   3   2.450   5.454   4.879
   32   2H2     G   3          2H2         G   3   2.712   4.277   3.611
   33   1H2*    G   3          1H2*        G   3  -0.683   7.212   5.496
   34   2H2*    G   3          2H2*        G   3  -2.268   7.757   6.133
   35   1H5*    G   4          1H5*        G   4  -3.680  10.264   6.437
   36   2H5*    G   4          2H5*        G   4  -5.043   9.989   7.537
   37    H4*    G   4           H4*        G   4  -5.705   9.887   5.143
   38    H3*    G   4           H3*        G   4  -6.083   7.717   7.105
   39    H1*    G   4           H1*        G   4  -5.769   7.688   3.203
   40    H8     G   4           H8         G   4  -3.515   5.592   5.541
   41    H1     G   4           H1         G   4  -3.811   3.511  -0.475
   42   1H2     G   4          1H2         G   4  -6.043   6.172  -0.923
   43   2H2     G   4          2H2         G   4  -5.231   4.799  -1.645
   44   1H2*    G   4          1H2*        G   4  -6.003   6.017   5.640
   45   2H2*    G   4          2H2*        G   4  -7.276   6.809   4.664
   46   1H5*    T   5          1H5*        T   5 -11.940   7.572   5.430
   47   2H5*    T   5          2H5*        T   5 -10.796   6.344   6.002
   48    H4*    T   5           H4*        T   5 -11.153   7.388   3.177
   49    H3*    T   5           H3*        T   5 -12.162   5.104   4.638
   50   1H2*    T   5          1H2*        T   5 -10.453   3.690   4.065
   51   2H2*    T   5          2H2*        T   5 -11.214   3.698   2.447
   52    H1*    T   5           H1*        T   5  -9.744   5.389   1.672
   53    H3     T   5           H3         T   5  -6.466   2.567   0.661
   54   1H5M    T   5          1H5M        T   5  -5.788   3.466   5.789
   55   2H5M    T   5          2H5M        T   5  -6.848   2.036   5.844
   56   3H5M    T   5          3H5M        T   5  -5.248   1.928   5.075
   57    H6     T   5           H6         T   5  -8.211   4.165   4.834
   58   1H5*    T   6          1H5*        T   6 -16.318   6.496   0.426
   59   2H5*    T   6          2H5*        T   6 -16.091   5.229   1.642
   60    H4*    T   6           H4*        T   6 -15.657   4.451  -0.706
   61    H3*    T   6           H3*        T   6 -13.871   4.119   1.566
   62   1H2*    T   6          2H2*        T   6 -11.895   4.523   0.592
   63   2H2*    T   6          1H2*        T   6 -12.219   3.215  -0.551
   64    H1*    T   6           H1*        T   6 -12.786   4.713  -2.239
   65    H3     T   6           H3         T   6  -9.271   7.272  -3.063
   66   1H5M    T   6          1H5M        T   6 -10.437   8.742   1.773
   67   2H5M    T   6          2H5M        T   6 -11.749   9.628   0.961
   68   3H5M    T   6          3H5M        T   6 -10.051  10.002   0.579
   69    H6     T   6           H6         T   6 -12.426   7.156   0.563
   70   1H5*    T   7          1H5*        T   7 -13.723   1.316  -1.171
   71   2H5*    T   7          2H5*        T   7 -14.086  -0.409  -1.306
   72    H4*    T   7           H4*        T   7 -11.791   0.366  -2.197
   73    H3*    T   7           H3*        T   7 -12.687  -1.980  -0.905
   74   1H2*    T   7          1H2*        T   7 -11.392  -1.848   0.994
   75   2H2*    T   7          2H2*        T   7 -10.098  -2.441  -0.098
   76    H1*    T   7           H1*        T   7  -9.201  -0.326  -0.322
   77    H3     T   7           H3         T   7  -7.369  -0.371   3.811
   78   1H5M    T   7          1H5M        T   7 -12.444   0.370   4.781
   79   2H5M    T   7          2H5M        T   7 -12.019   2.048   4.364
   80   3H5M    T   7          3H5M        T   7 -11.239   1.250   5.750
   81    H6     T   7           H6         T   7 -11.782   0.538   2.122
   82   1H5*    T   8          1H5*        T   8 -10.497  -5.055  -1.202
   83   2H5*    T   8          2H5*        T   8  -9.821  -3.649  -2.046
   84    H4*    T   8           H4*        T   8  -8.596  -5.772  -2.514
   85    H3*    T   8           H3*        T   8  -9.409  -3.812  -4.362
   86   1H2*    T   8          1H2*        T   8 -10.825  -5.038  -5.703
   87   2H2*    T   8          2H2*        T   8  -9.334  -5.807  -6.306
   88    H1*    T   8           H1*        T   8  -9.662  -7.708  -5.065
   89    H3     T   8           H3         T   8 -13.276  -9.766  -6.638
   90   1H5M    T   8          1H5M        T   8 -16.160  -6.434  -5.245
   91   2H5M    T   8          2H5M        T   8 -15.100  -5.018  -5.438
   92   3H5M    T   8          3H5M        T   8 -15.268  -5.792  -3.844
   93    H6     T   8           H6         T   8 -12.669  -5.569  -4.372
   94   1H5*    A   9          1H5*        A   9  -6.594  -2.301  -5.078
   95   2H5*    A   9          2H5*        A   9  -4.923  -2.124  -5.644
   96    H4*    A   9           H4*        A   9  -4.131  -3.380  -3.645
   97    H3*    A   9           H3*        A   9  -6.878  -4.101  -3.407
   98    H1*    A   9           H1*        A   9  -5.044  -1.585  -0.957
   99    H8     A   9           H8         A   9  -5.503   0.711  -0.142
  100   1H6     A   9          1H6         A   9 -10.523   3.376  -2.497
  101   2H6     A   9          2H6         A   9  -9.268   3.492  -1.274
  102    H2     A   9           H2         A   9  -9.844  -0.559  -4.653
  103   1H2*    A   9          1H2*        A   9  -7.648  -2.445  -2.087
  104   2H2*    A   9          2H2*        A   9  -6.663  -3.191  -0.796
  105   1H5*    A  10          1H5*        A  10  -2.275  -5.419  -3.459
  106   2H5*    A  10          2H5*        A  10  -1.961  -7.143  -3.295
  107    H4*    A  10           H4*        A  10  -0.106  -6.081  -2.173
  108    H3*    A  10           H3*        A  10  -2.045  -7.416  -0.466
  109    H1*    A  10           H1*        A  10   0.118  -4.213   0.366
  110    H8     A  10           H8         A  10  -2.782  -2.614  -0.928
  111   1H6     A  10          1H6         A  10  -4.104   0.157   2.836
  112   2H6     A  10          2H6         A  10  -3.716   0.092   4.538
  113    H2     A  10           H2         A  10  -0.937  -3.361   5.144
  114   1H2*    A  10          1H2*        A  10  -2.292  -5.777   1.099
  115   2H2*    A  10          2H2*        A  10  -0.581  -6.061   1.519
  116   1H5*    G  11          1H5*        G  11   3.067  -8.059  -2.123
  117   2H5*    G  11          2H5*        G  11   2.307  -6.521  -1.670
  118    H4*    G  11           H4*        G  11   2.997  -7.459  -4.485
  119    H3*    G  11           H3*        G  11   4.526  -6.038  -2.551
  120    H1*    G  11           H1*        G  11   2.694  -4.391  -5.586
  121    H8     G  11           H8         G  11   0.735  -2.873  -6.013
  122    H1     G  11           H1         G  11   0.465  -0.896   0.047
  123   1H2     G  11          1H2         G  11   2.827  -3.436   0.609
  124   2H2     G  11          2H2         G  11   1.868  -2.149   1.302
  125   1H2*    G  11          1H2*        G  11   3.611  -3.981  -2.772
  126   2H2*    G  11          2H2*        G  11   4.532  -3.909  -4.306
  127   1H5*    G  12          1H5*        G  12   4.117  -5.090  -6.930
  128   2H5*    G  12          2H5*        G  12   5.718  -5.069  -7.699
  129    H4*    G  12           H4*        G  12   4.234  -3.455  -8.816
  130    H3*    G  12           H3*        G  12   6.743  -2.841  -7.596
  131    H1*    G  12           H1*        G  12   3.609  -0.504  -7.716
  132    H8     G  12           H8         G  12   5.202  -1.481  -4.307
  133    H1     G  12           H1         G  12   0.175   2.411  -3.875
  134   1H2     G  12          1H2         G  12   0.024   2.074  -7.359
  135   2H2     G  12          2H2         G  12  -0.668   2.797  -5.924
  136   1H2*    G  12          1H2*        G  12   6.154  -1.123  -6.292
  137   2H2*    G  12          2H2*        G  12   5.867  -0.215  -7.806
  138    HO3    G  12           HO3        G  12   5.974  -2.836  -9.896
  139   1H5*    A   1          1H5*        A   1 -12.571  -2.651   6.120
  140   2H5*    A   1          2H5*        A   1 -12.066  -0.987   6.459
  141    H4*    A   1           H4*        A   1 -11.217  -2.474   8.216
  142    H3*    A   1           H3*        A   1  -9.607  -0.744   6.666
  143    H1*    A   1           H1*        A   1  -8.443  -4.395   7.688
  144    H8     A   1           H8         A   1  -6.617  -5.475   6.218
  145   1H6     A   1          1H6         A   1  -8.501  -6.595   0.449
  146   2H6     A   1          2H6         A   1  -7.202  -6.822   1.599
  147    H2     A   1           H2         A   1 -11.678  -4.191   2.541
  148    H5T    A   1           H5T        A   1 -10.884  -2.795   4.613
  149   1H2*    A   1          1H2*        A   1  -8.176  -2.227   5.695
  150   2H2*    A   1          2H2*        A   1  -7.465  -2.387   7.326
  151   1H5*    A   2          1H5*        A   2  -7.184  -2.651   9.891
  152   2H5*    A   2          2H5*        A   2  -6.119  -1.528  10.743
  153    H4*    A   2           H4*        A   2  -4.873  -3.513  10.004
  154    H3*    A   2           H3*        A   2  -4.179  -0.802   9.170
  155    H1*    A   2           H1*        A   2  -3.761  -4.084   7.008
  156    H8     A   2           H8         A   2  -5.759  -0.936   5.870
  157   1H6     A   2          1H6         A   2  -6.537  -2.371   1.323
  158   2H6     A   2          2H6         A   2  -6.094  -3.816   0.443
  159    H2     A   2           H2         A   2  -3.943  -6.508   3.305
  160   1H2*    A   2          1H2*        A   2  -3.748  -1.140   7.011
  161   2H2*    A   2          2H2*        A   2  -2.483  -2.301   7.488
  162   1H5*    G   3          1H5*        G   3  -0.850  -0.708   8.052
  163   2H5*    G   3          2H5*        G   3  -1.007  -2.332   8.768
  164    H4*    G   3           H4*        G   3   1.363  -2.296   9.382
  165    H3*    G   3           H3*        G   3   1.079   0.475   9.128
  166    H1*    G   3           H1*        G   3   3.102  -1.715   6.533
  167    H8     G   3           H8         G   3   2.899  -2.436   4.099
  168    H1     G   3           H1         G   3  -1.780   1.697   2.857
  169   1H2     G   3          1H2         G   3  -1.867   2.180   6.318
  170   2H2     G   3          2H2         G   3  -2.514   2.621   4.754
  171   1H2*    G   3          1H2*        G   3   1.428   0.730   6.892
  172   2H2*    G   3          2H2*        G   3   3.153   0.455   7.291
  173   1H5*    G   4          1H5*        G   4   4.759  -1.687   8.392
  174   2H5*    G   4          2H5*        G   4   6.332  -1.009   8.844
  175    H4*    G   4           H4*        G   4   6.366  -2.108   6.614
  176    H3*    G   4           H3*        G   4   7.080   0.706   7.133
  177    H1*    G   4           H1*        G   4   5.796  -1.115   3.914
  178    H8     G   4           H8         G   4   4.070   1.986   5.444
  179    H1     G   4           H1         G   4   2.710   0.912  -0.688
  180   1H2     G   4          1H2         G   4   4.926  -1.778  -0.352
  181   2H2     G   4          2H2         G   4   3.872  -0.867  -1.414
  182   1H2*    G   4          1H2*        G   4   6.526   1.499   5.107
  183   2H2*    G   4          2H2*        G   4   7.561   0.256   4.345
  184   1H5*    T   5          1H5*        T   5  12.307  -0.351   4.184
  185   2H5*    T   5          2H5*        T   5  11.266   1.073   4.365
  186    H4*    T   5           H4*        T   5  10.970  -1.217   2.397
  187    H3*    T   5           H3*        T   5  12.162   1.418   2.281
  188   1H2*    T   5          1H2*        T   5  10.276   2.494   1.550
  189   2H2*    T   5          2H2*        T   5  10.605   1.663   0.002
  190    H1*    T   5           H1*        T   5   9.101  -0.092   0.528
  191    H3     T   5           H3         T   5   5.497   2.109  -0.850
  192   1H5M    T   5          1H5M        T   5   6.176   3.817   4.063
  193   2H5M    T   5          2H5M        T   5   7.140   5.019   3.172
  194   3H5M    T   5          3H5M        T   5   5.395   4.869   2.858
  195    H6     T   5           H6         T   5   8.335   2.591   2.989
  196   1H5*    T   6          1H5*        T   6  15.210  -2.087  -1.640
  197   2H5*    T   6          2H5*        T   6  15.213  -0.381  -1.167
  198    H4*    T   6           H4*        T   6  14.154  -0.794  -3.405
  199    H3*    T   6           H3*        T   6  12.978   0.699  -1.204
  200   1H2*    T   6          2H2*        T   6  10.851   0.008  -1.334
  201   2H2*    T   6          1H2*        T   6  10.792   0.588  -3.004
  202    H1*    T   6           H1*        T   6  11.014  -1.570  -3.850
  203    H3     T   6           H3         T   6   7.578  -3.976  -2.437
  204   1H5M    T   6          1H5M        T   6  10.000  -3.029   2.045
  205   2H5M    T   6          2H5M        T   6  11.141  -4.262   1.456
  206   3H5M    T   6          3H5M        T   6   9.433  -4.686   1.733
  207    H6     T   6           H6         T   6  11.528  -2.345  -0.233
  208   1H5*    T   7          1H5*        T   7  11.965   1.855  -4.811
  209   2H5*    T   7          2H5*        T   7  12.169   3.277  -5.841
  210    H4*    T   7           H4*        T   7   9.780   2.322  -5.644
  211    H3*    T   7           H3*        T   7  10.817   4.937  -5.903
  212   1H2*    T   7          1H2*        T   7  10.052   5.814  -3.918
  213   2H2*    T   7          2H2*        T   7   8.489   5.896  -4.795
  214    H1*    T   7           H1*        T   7   7.704   3.994  -3.748
  215    H3     T   7           H3         T   7   6.969   6.130   0.169
  216   1H5M    T   7          1H5M        T   7  12.162   5.616   0.069
  217   2H5M    T   7          2H5M        T   7  11.758   3.973   0.622
  218   3H5M    T   7          3H5M        T   7  11.299   5.382   1.606
  219    H6     T   7           H6         T   7  10.867   4.239  -1.925
  220   1H5*    T   8          1H5*        T   8   8.427   7.631  -7.076
  221   2H5*    T   8          2H5*        T   8   7.655   6.040  -6.943
  222    H4*    T   8           H4*        T   8   6.214   7.755  -8.045
  223    H3*    T   8           H3*        T   8   6.664   5.102  -8.866
  224   1H2*    T   8          1H2*        T   8   7.616   5.441 -10.936
  225   2H2*    T   8          2H2*        T   8   5.974   5.923 -11.438
  226    H1*    T   8           H1*        T   8   6.477   8.160 -11.386
  227    H3     T   8           H3         T   8   9.439   8.975 -14.600
  228   1H5M    T   8          1H5M        T   8  12.789   6.526 -12.565
  229   2H5M    T   8          2H5M        T   8  11.809   5.273 -11.766
  230   3H5M    T   8          3H5M        T   8  12.331   6.709 -10.855
  231    H6     T   8           H6         T   8   9.696   6.422 -10.533
  232   1H5*    A   9          1H5*        A   9   3.864   3.619  -8.041
  233   2H5*    A   9          2H5*        A   9   2.119   3.302  -8.012
  234    H4*    A   9           H4*        A   9   1.775   5.410  -6.732
  235    H3*    A   9           H3*        A   9   4.440   5.976  -7.567
  236    H1*    A   9           H1*        A   9   3.449   5.064  -3.840
  237    H8     A   9           H8         A   9   4.245   3.413  -2.172
  238   1H6     A   9          1H6         A   9   8.677  -0.375  -4.139
  239   2H6     A   9          2H6         A   9   7.779   0.192  -2.740
  240    H2     A   9           H2         A   9   7.222   2.085  -7.666
  241   1H2*    A   9          1H2*        A   9   5.624   5.106  -5.856
  242   2H2*    A   9          2H2*        A   9   4.947   6.441  -4.879
  243   1H5*    A  10          1H5*        A  10  -0.103   7.406  -7.085
  244   2H5*    A  10          2H5*        A  10  -0.478   9.015  -7.692
  245    H4*    A  10           H4*        A  10  -1.920   8.741  -5.775
  246    H3*    A  10           H3*        A  10   0.295  10.601  -5.464
  247    H1*    A  10           H1*        A  10  -1.377   8.335  -2.689
  248    H8     A  10           H8         A  10   1.203   6.126  -3.741
  249   1H6     A  10          1H6         A  10   3.606   5.413   0.420
  250   2H6     A  10          2H6         A  10   3.653   6.311   1.920
  251    H2     A  10           H2         A  10   0.897   9.806   1.476
  252   1H2*    A  10          1H2*        A  10   1.033   9.899  -3.424
  253   2H2*    A  10          2H2*        A  10  -0.533  10.460  -2.777
  254   1H5*    G  11          1H5*        G  11  -5.100  10.705  -5.884
  255   2H5*    G  11          2H5*        G  11  -4.153   9.525  -4.956
  256    H4*    G  11           H4*        G  11  -5.587   9.046  -7.601
  257    H3*    G  11           H3*        G  11  -6.484   8.825  -4.909
  258    H1*    G  11           H1*        G  11  -5.370   5.813  -7.135
  259    H8     G  11           H8         G  11  -3.486   4.151  -7.261
  260    H1     G  11           H1         G  11  -1.576   5.300  -1.284
  261   1H2     G  11          1H2         G  11  -3.882   7.947  -1.432
  262   2H2     G  11          2H2         G  11  -2.698   7.089  -0.474
  263   1H2*    G  11          1H2*        G  11  -5.523   6.860  -4.342
  264   2H2*    G  11          2H2*        G  11  -6.792   6.123  -5.367
  265   1H5*    G  12          1H5*        G  12  -7.127   5.875  -8.245
  266   2H5*    G  12          2H5*        G  12  -8.866   5.594  -8.479
  267    H4*    G  12           H4*        G  12  -7.608   3.548  -9.020
  268    H3*    G  12           H3*        G  12  -9.685   3.758  -7.070
  269    H1*    G  12           H1*        G  12  -6.535   1.450  -6.840
  270    H8     G  12           H8         G  12  -7.282   4.040  -4.039
  271    H1     G  12           H1         G  12  -2.065   0.509  -3.075
  272   1H2     G  12          1H2         G  12  -2.815  -0.873  -6.206
  273   2H2     G  12          2H2         G  12  -1.740  -0.863  -4.825
  274   1H2*    G  12          1H2*        G  12  -8.677   2.839  -5.299
  275   2H2*    G  12          2H2*        G  12  -8.720   1.301  -6.211
  276    HO3    G  12           HO3        G  12  -9.534   2.608  -9.192
  Start of MODEL    3
    1   1H5*    A   1          1H5*        A   1  12.773   8.259   1.601
    2   2H5*    A   1          2H5*        A   1  11.871   8.440   0.083
    3    H4*    A   1           H4*        A   1  11.531  10.193   2.559
    4    H3*    A   1           H3*        A   1  10.364   7.620   1.906
    5    H1*    A   1           H1*        A   1   8.511  11.143   1.507
    6    H8     A   1           H8         A   1   6.576  11.364  -0.075
    7   1H6     A   1          1H6         A   1   7.447   8.740  -5.598
    8   2H6     A   1          2H6         A   1   6.335   9.672  -4.620
    9    H2     A   1           H2         A   1  11.030   7.864  -3.021
   10    H5T    A   1           H5T        A   1  12.729  10.628   0.041
   11   1H2*    A   1          1H2*        A   1   8.433   8.271   0.932
   12   2H2*    A   1          2H2*        A   1   8.019   9.136   2.432
   13   1H5*    A   2          1H5*        A   2   8.072  10.686   4.366
   14   2H5*    A   2          2H5*        A   2   7.505   9.921   5.855
   15    H4*    A   2           H4*        A   2   5.783  11.411   4.935
   16    H3*    A   2           H3*        A   2   5.352   8.557   5.373
   17    H1*    A   2           H1*        A   2   3.797  10.715   2.441
   18    H8     A   2           H8         A   2   5.914   7.490   1.906
   19   1H6     A   2          1H6         A   2   5.422   7.209  -2.885
   20   2H6     A   2          2H6         A   2   4.574   8.189  -4.061
   21    H2     A   2           H2         A   2   2.720  11.611  -1.808
   22   1H2*    A   2          1H2*        A   2   4.319   8.001   3.481
   23   2H2*    A   2          2H2*        A   2   3.038   9.167   3.903
   24   1H5*    G   3          1H5*        G   3   1.359   8.468   5.280
   25   2H5*    G   3          2H5*        G   3   1.764  10.193   5.113
   26    H4*    G   3           H4*        G   3  -0.338  10.807   6.207
   27    H3*    G   3           H3*        G   3  -0.226   8.232   7.259
   28    H1*    G   3           H1*        G   3  -2.817   9.214   4.435
   29    H8     G   3           H8         G   3  -3.313   8.590   2.028
   30    H1     G   3           H1         G   3   1.255   4.166   1.803
   31   1H2     G   3          1H2         G   3   2.183   5.412   4.942
   32   2H2     G   3          2H2         G   3   2.492   4.240   3.680
   33   1H2*    G   3          1H2*        G   3  -1.114   7.026   5.529
   34   2H2*    G   3          2H2*        G   3  -2.679   7.667   6.123
   35   1H5*    G   4          1H5*        G   4  -4.033  10.208   6.371
   36   2H5*    G   4          2H5*        G   4  -5.408   9.991   7.472
   37    H4*    G   4           H4*        G   4  -6.089   9.848   5.090
   38    H3*    G   4           H3*        G   4  -6.415   7.679   7.072
   39    H1*    G   4           H1*        G   4  -6.103   7.576   3.155
   40    H8     G   4           H8         G   4  -3.986   5.558   5.693
   41    H1     G   4           H1         G   4  -3.966   3.239  -0.247
   42   1H2     G   4          1H2         G   4  -6.129   5.907  -0.918
   43   2H2     G   4          2H2         G   4  -5.297   4.501  -1.540
   44   1H2*    G   4          1H2*        G   4  -6.495   5.982   5.598
   45   2H2*    G   4          2H2*        G   4  -7.690   6.873   4.605
   46   1H5*    T   5          1H5*        T   5  -9.563   8.669   4.016
   47   2H5*    T   5          2H5*        T   5 -11.222   8.312   4.539
   48    H4*    T   5           H4*        T   5 -10.773   7.632   2.196
   49    H3*    T   5           H3*        T   5 -11.880   5.993   4.304
   50   1H2*    T   5          1H2*        T   5 -10.661   4.100   3.905
   51   2H2*    T   5          2H2*        T   5 -11.509   4.012   2.338
   52    H1*    T   5           H1*        T   5  -9.708   4.967   1.187
   53    H3     T   5           H3         T   5  -6.462   1.914   1.219
   54   1H5M    T   5          1H5M        T   5  -6.399   3.764   6.118
   55   2H5M    T   5          2H5M        T   5  -5.998   2.054   5.823
   56   3H5M    T   5          3H5M        T   5  -7.648   2.510   6.308
   57    H6     T   5           H6         T   5  -8.644   4.396   4.716
   58   1H5*    T   6          1H5*        T   6 -16.301   7.022   0.385
   59   2H5*    T   6          2H5*        T   6 -15.791   5.821   1.580
   60    H4*    T   6           H4*        T   6 -15.749   5.104  -0.902
   61    H3*    T   6           H3*        T   6 -13.996   4.406   1.216
   62   1H2*    T   6          1H2*        T   6 -12.040   5.309   0.435
   63   2H2*    T   6          2H2*        T   6 -12.060   3.938  -0.699
   64    H1*    T   6           H1*        T   6 -12.813   5.259  -2.466
   65    H3     T   6           H3         T   6  -9.571   8.009  -3.638
   66   1H5M    T   6          1H5M        T   6 -10.064  10.669   0.122
   67   2H5M    T   6          2H5M        T   6 -10.129   9.348   1.313
   68   3H5M    T   6          3H5M        T   6 -11.634  10.132   0.769
   69    H6     T   6           H6         T   6 -12.265   7.708   0.335
   70   1H5*    T   7          1H5*        T   7 -12.542   1.834  -2.202
   71   2H5*    T   7          2H5*        T   7 -13.414   0.325  -1.893
   72    H4*    T   7           H4*        T   7 -10.930   0.265  -2.807
   73    H3*    T   7           H3*        T   7 -12.565  -1.478  -1.240
   74   1H2*    T   7          1H2*        T   7 -11.236  -1.736   0.590
   75   2H2*    T   7          2H2*        T   7 -10.103  -2.596  -0.492
   76    H1*    T   7           H1*        T   7  -8.700  -0.788  -0.601
   77    H3     T   7           H3         T   7  -7.325  -0.595   3.663
   78   1H5M    T   7          1H5M        T   7 -11.801   2.279   3.507
   79   2H5M    T   7          2H5M        T   7 -11.111   1.688   5.036
   80   3H5M    T   7          3H5M        T   7 -12.294   0.696   4.154
   81    H6     T   7           H6         T   7 -11.370   0.761   1.439
   82   1H5*    T   8          1H5*        T   8  -9.375  -4.584  -1.540
   83   2H5*    T   8          2H5*        T   8  -8.424  -3.584  -2.659
   84    H4*    T   8           H4*        T   8  -7.495  -5.882  -2.357
   85    H3*    T   8           H3*        T   8  -7.913  -4.434  -4.736
   86   1H2*    T   8          1H2*        T   8  -9.351  -5.821  -5.863
   87   2H2*    T   8          2H2*        T   8  -7.942  -6.901  -6.040
   88    H1*    T   8           H1*        T   8  -8.667  -8.317  -4.394
   89    H3     T   8           H3         T   8 -12.431 -10.238  -5.774
   90   1H5M    T   8          1H5M        T   8 -13.992  -5.426  -4.376
   91   2H5M    T   8          2H5M        T   8 -14.858  -6.309  -5.656
   92   3H5M    T   8          3H5M        T   8 -13.577  -5.150  -6.084
   93    H6     T   8           H6         T   8 -11.352  -5.697  -4.628
   94   1H5*    A   9          1H5*        A   9  -5.906  -3.256  -4.862
   95   2H5*    A   9          2H5*        A   9  -4.487  -2.537  -5.651
   96    H4*    A   9           H4*        A   9  -3.126  -3.377  -3.657
   97    H3*    A   9           H3*        A   9  -5.693  -4.476  -2.943
   98    H1*    A   9           H1*        A   9  -3.878  -1.420  -1.176
   99    H8     A   9           H8         A   9  -4.960   0.468   0.065
  100   1H6     A   9          1H6         A   9  -9.870   2.870  -2.742
  101   2H6     A   9          2H6         A   9  -8.772   3.005  -1.380
  102    H2     A   9           H2         A   9  -8.581  -0.789  -5.056
  103   1H2*    A   9          1H2*        A   9  -6.465  -2.827  -1.596
  104   2H2*    A   9          2H2*        A   9  -5.119  -3.237  -0.490
  105   1H5*    A  10          1H5*        A  10  -1.871  -6.298  -2.900
  106   2H5*    A  10          2H5*        A  10  -1.466  -7.948  -2.442
  107    H4*    A  10           H4*        A  10   0.444  -6.731  -1.711
  108    H3*    A  10           H3*        A  10  -1.314  -7.619   0.385
  109    H1*    A  10           H1*        A  10   0.675  -4.183   0.390
  110    H8     A  10           H8         A  10  -1.945  -2.949  -1.446
  111   1H6     A  10          1H6         A  10  -4.192   0.316   3.229
  112   2H6     A  10          2H6         A  10  -4.223   0.054   1.504
  113    H2     A  10           H2         A  10  -1.258  -2.693   4.887
  114   1H2*    A  10          1H2*        A  10  -1.658  -5.633   1.473
  115   2H2*    A  10          2H2*        A  10   0.064  -5.731   1.928
  116   1H5*    G  11          1H5*        G  11   3.636  -8.089  -1.747
  117   2H5*    G  11          2H5*        G  11   2.759  -6.620  -1.276
  118    H4*    G  11           H4*        G  11   2.910  -7.784  -4.088
  119    H3*    G  11           H3*        G  11   4.740  -6.118  -2.652
  120    H1*    G  11           H1*        G  11   2.276  -4.971  -5.434
  121    H8     G  11           H8         G  11   0.402  -3.340  -5.790
  122    H1     G  11           H1         G  11   0.845  -0.830   0.054
  123   1H2     G  11          1H2         G  11   3.161  -3.407   0.608
  124   2H2     G  11          2H2         G  11   2.313  -2.026   1.267
  125   1H2*    G  11          1H2*        G  11   3.750  -4.121  -2.979
  126   2H2*    G  11          2H2*        G  11   4.320  -4.277  -4.669
  127   1H5*    G  12          1H5*        G  12   3.867  -5.487  -6.791
  128   2H5*    G  12          2H5*        G  12   5.274  -5.475  -7.874
  129    H4*    G  12           H4*        G  12   3.747  -3.819  -8.700
  130    H3*    G  12           H3*        G  12   6.293  -3.084  -7.525
  131    H1*    G  12           H1*        G  12   2.965  -1.029  -7.679
  132    H8     G  12           H8         G  12   4.906  -1.673  -4.374
  133    H1     G  12           H1         G  12   0.099   2.476  -3.905
  134   1H2     G  12          1H2         G  12  -0.474   1.700  -7.276
  135   2H2     G  12          2H2         G  12  -0.963   2.640  -5.883
  136   1H2*    G  12          1H2*        G  12   5.689  -1.191  -6.510
  137   2H2*    G  12          2H2*        G  12   5.149  -0.555  -8.090
  138    HO3    G  12           HO3        G  12   4.815  -2.221  -9.804
  139   1H5*    A   1          1H5*        A   1 -12.476  -1.170   7.492
  140   2H5*    A   1          2H5*        A   1 -11.975  -2.115   6.075
  141    H4*    A   1           H4*        A   1 -10.910  -2.486   8.912
  142    H3*    A   1           H3*        A   1 -10.115  -0.622   6.839
  143    H1*    A   1           H1*        A   1  -8.196  -4.019   7.723
  144    H8     A   1           H8         A   1  -6.709  -5.095   6.012
  145   1H6     A   1          1H6         A   1  -9.108  -5.383   0.328
  146   2H6     A   1          2H6         A   1  -7.729  -5.803   1.318
  147    H2     A   1           H2         A   1 -11.979  -3.148   2.977
  148    H5T    A   1           H5T        A   1 -12.675  -3.993   7.295
  149   1H2*    A   1          1H2*        A   1  -8.453  -1.784   5.846
  150   2H2*    A   1          2H2*        A   1  -7.619  -1.851   7.418
  151   1H5*    A   2          1H5*        A   2  -7.085  -2.281   9.799
  152   2H5*    A   2          2H5*        A   2  -6.212  -0.934  10.545
  153    H4*    A   2           H4*        A   2  -4.684  -2.792  10.051
  154    H3*    A   2           H3*        A   2  -4.343  -0.111   8.947
  155    H1*    A   2           H1*        A   2  -3.436  -3.505   7.121
  156    H8     A   2           H8         A   2  -5.826  -0.797   5.660
  157   1H6     A   2          1H6         A   2  -6.572  -2.876   1.370
  158   2H6     A   2          2H6         A   2  -5.983  -4.353   0.636
  159    H2     A   2           H2         A   2  -3.404  -6.392   3.703
  160   1H2*    A   2          1H2*        A   2  -3.857  -0.597   6.830
  161   2H2*    A   2          2H2*        A   2  -2.437  -1.499   7.420
  162   1H5*    G   3          1H5*        G   3  -0.516  -0.338   7.824
  163   2H5*    G   3          2H5*        G   3  -0.836  -1.903   8.610
  164    H4*    G   3           H4*        G   3   1.507  -2.054   9.297
  165    H3*    G   3           H3*        G   3   1.496   0.711   8.977
  166    H1*    G   3           H1*        G   3   3.354  -1.669   6.421
  167    H8     G   3           H8         G   3   3.188  -2.305   3.972
  168    H1     G   3           H1         G   3  -1.568   1.760   2.813
  169   1H2     G   3          1H2         G   3  -1.595   2.229   6.283
  170   2H2     G   3          2H2         G   3  -2.287   2.674   4.738
  171   1H2*    G   3          1H2*        G   3   1.840   0.882   6.722
  172   2H2*    G   3          2H2*        G   3   3.543   0.503   7.135
  173   1H5*    G   4          1H5*        G   4   5.079  -1.692   8.220
  174   2H5*    G   4          2H5*        G   4   6.670  -1.064   8.697
  175    H4*    G   4           H4*        G   4   6.719  -2.124   6.454
  176    H3*    G   4           H3*        G   4   7.391   0.701   7.003
  177    H1*    G   4           H1*        G   4   6.100  -1.061   3.735
  178    H8     G   4           H8         G   4   4.561   2.058   5.437
  179    H1     G   4           H1         G   4   2.899   1.250  -0.666
  180   1H2     G   4          1H2         G   4   4.993  -1.551  -0.497
  181   2H2     G   4          2H2         G   4   3.943  -0.562  -1.485
  182   1H2*    G   4          1H2*        G   4   6.988   1.479   4.930
  183   2H2*    G   4          2H2*        G   4   7.950   0.145   4.220
  184   1H5*    T   5          1H5*        T   5   9.728  -1.832   4.115
  185   2H5*    T   5          2H5*        T   5  11.438  -1.378   3.967
  186    H4*    T   5           H4*        T   5  10.373  -1.874   1.783
  187    H3*    T   5           H3*        T   5  11.863   0.497   2.494
  188   1H2*    T   5          1H2*        T   5  10.463   2.044   1.559
  189   2H2*    T   5          2H2*        T   5  10.883   1.317  -0.014
  190    H1*    T   5           H1*        T   5   8.917   0.046  -0.073
  191    H3     T   5           H3         T   5   5.592   2.947  -0.692
  192   1H5M    T   5          1H5M        T   5   6.885   3.675   4.331
  193   2H5M    T   5          2H5M        T   5   6.306   5.055   3.368
  194   3H5M    T   5          3H5M        T   5   8.052   4.786   3.574
  195    H6     T   5           H6         T   5   8.738   2.305   2.889
  196   1H5*    T   6          1H5*        T   6  15.217  -2.567  -1.420
  197   2H5*    T   6          2H5*        T   6  14.945  -0.911  -0.862
  198    H4*    T   6           H4*        T   6  14.236  -1.467  -3.282
  199    H3*    T   6           H3*        T   6  13.029   0.272  -1.394
  200   1H2*    T   6          1H2*        T   6  11.003  -0.765  -1.129
  201   2H2*    T   6          2H2*        T   6  10.648  -0.108  -2.744
  202    H1*    T   6           H1*        T   6  11.018  -2.160  -3.788
  203    H3     T   6           H3         T   6   7.771  -4.917  -2.645
  204   1H5M    T   6          1H5M        T   6   9.371  -5.484   1.666
  205   2H5M    T   6          2H5M        T   6   9.634  -3.760   2.023
  206   3H5M    T   6          3H5M        T   6  11.008  -4.795   1.564
  207    H6     T   6           H6         T   6  11.351  -2.928  -0.121
  208   1H5*    T   7          1H5*        T   7  10.599   0.984  -5.136
  209   2H5*    T   7          2H5*        T   7  11.420   2.396  -5.817
  210    H4*    T   7           H4*        T   7   8.788   2.175  -5.992
  211    H3*    T   7           H3*        T   7  10.647   4.342  -5.917
  212   1H2*    T   7          1H2*        T   7   9.807   5.532  -4.166
  213   2H2*    T   7          2H2*        T   7   8.384   5.841  -5.204
  214    H1*    T   7           H1*        T   7   7.120   4.297  -4.079
  215    H3     T   7           H3         T   7   6.875   6.259  -0.054
  216   1H5M    T   7          1H5M        T   7  11.349   3.375   0.062
  217   2H5M    T   7          2H5M        T   7  11.023   4.663   1.245
  218   3H5M    T   7          3H5M        T   7  11.880   5.041  -0.266
  219    H6     T   7           H6         T   7  10.312   3.742  -2.291
  220   1H5*    T   8          1H5*        T   8   7.289   7.129  -6.854
  221   2H5*    T   8          2H5*        T   8   6.154   5.779  -7.079
  222    H4*    T   8           H4*        T   8   5.183   7.997  -7.690
  223    H3*    T   8           H3*        T   8   5.084   5.564  -9.104
  224   1H2*    T   8          1H2*        T   8   6.100   6.144 -11.078
  225   2H2*    T   8          2H2*        T   8   4.625   7.097 -11.390
  226    H1*    T   8           H1*        T   8   5.645   9.078 -10.864
  227    H3     T   8           H3         T   8   8.808   9.854 -13.889
  228   1H5M    T   8          1H5M        T   8  10.980   6.206 -10.802
  229   2H5M    T   8          2H5M        T   8  11.438   6.313 -12.519
  230   3H5M    T   8          3H5M        T   8  10.169   5.176 -12.005
  231    H6     T   8           H6         T   8   8.350   6.495 -10.482
  232   1H5*    A   9          1H5*        A   9   3.191   4.602  -8.144
  233   2H5*    A   9          2H5*        A   9   1.669   3.688  -8.108
  234    H4*    A   9           H4*        A   9   0.801   5.466  -6.490
  235    H3*    A   9           H3*        A   9   3.388   6.603  -7.059
  236    H1*    A   9           H1*        A   9   2.277   4.891  -3.655
  237    H8     A   9           H8         A   9   3.757   3.760  -1.979
  238   1H6     A   9          1H6         A   9   7.950  -0.007  -4.425
  239   2H6     A   9          2H6         A   9   7.241   0.598  -2.938
  240    H2     A   9           H2         A   9   5.886   2.175  -7.797
  241   1H2*    A   9          1H2*        A   9   4.578   5.753  -5.330
  242   2H2*    A   9          2H2*        A   9   3.530   6.728  -4.259
  243   1H5*    A  10          1H5*        A  10  -0.411   8.469  -6.935
  244   2H5*    A  10          2H5*        A  10  -0.795  10.160  -7.238
  245    H4*    A  10           H4*        A  10  -2.377   9.567  -5.560
  246    H3*    A  10           H3*        A  10  -0.211  11.234  -4.664
  247    H1*    A  10           H1*        A  10  -1.906   8.357  -2.516
  248    H8     A  10           H8         A  10   0.243   6.227  -4.128
  249   1H6     A  10          1H6         A  10   3.800   5.458   0.804
  250   2H6     A  10          2H6         A  10   3.379   4.859  -0.780
  251    H2     A  10           H2         A  10   1.186   9.076   1.496
  252   1H2*    A  10          1H2*        A  10   0.524   9.992  -2.884
  253   2H2*    A  10          2H2*        A  10  -1.032  10.408  -2.115
  254   1H5*    G  11          1H5*        G  11  -5.558  10.948  -5.439
  255   2H5*    G  11          2H5*        G  11  -4.497   9.830  -4.560
  256    H4*    G  11           H4*        G  11  -5.424   9.514  -7.446
  257    H3*    G  11           H3*        G  11  -6.722   8.861  -4.981
  258    H1*    G  11           H1*        G  11  -4.966   6.366  -7.393
  259    H8     G  11           H8         G  11  -3.140   4.644  -7.382
  260    H1     G  11           H1         G  11  -1.937   5.271  -1.152
  261   1H2     G  11          1H2         G  11  -4.203   7.943  -1.337
  262   2H2     G  11          2H2         G  11  -3.127   6.994  -0.335
  263   1H2*    G  11          1H2*        G  11  -5.718   6.891  -4.549
  264   2H2*    G  11          2H2*        G  11  -6.703   6.257  -5.904
  265   1H5*    G  12          1H5*        G  12  -6.877   6.272  -8.381
  266   2H5*    G  12          2H5*        G  12  -8.507   5.836  -8.934
  267    H4*    G  12           H4*        G  12  -7.132   3.890  -9.220
  268    H3*    G  12           H3*        G  12  -9.249   3.975  -7.241
  269    H1*    G  12           H1*        G  12  -5.939   1.885  -7.222
  270    H8     G  12           H8         G  12  -7.026   4.157  -4.262
  271    H1     G  12           H1         G  12  -1.996   0.433  -3.089
  272   1H2     G  12          1H2         G  12  -2.338  -0.538  -6.440
  273   2H2     G  12          2H2         G  12  -1.456  -0.726  -4.940
  274   1H2*    G  12          1H2*        G  12  -8.287   2.764  -5.632
  275   2H2*    G  12          2H2*        G  12  -8.121   1.415  -6.793
  276    HO3    G  12           HO3        G  12  -8.338   2.028  -9.113
  Start of MODEL    4
    1   1H5*    A   1          1H5*        A   1  12.657   8.841   0.657
    2   2H5*    A   1          2H5*        A   1  12.479   7.649   1.956
    3    H4*    A   1           H4*        A   1  11.519   9.732   2.752
    4    H3*    A   1           H3*        A   1   9.975   7.357   2.444
    5    H1*    A   1           H1*        A   1   8.573  10.993   1.655
    6    H8     A   1           H8         A   1   6.619  11.272   0.058
    7   1H6     A   1          1H6         A   1   6.504   9.814  -4.564
    8   2H6     A   1          2H6         A   1   7.595   8.850  -5.534
    9    H2     A   1           H2         A   1  11.016   7.677  -2.861
   10    H5T    A   1           H5T        A   1  10.810   7.929  -0.326
   11   1H2*    A   1          1H2*        A   1   8.247   8.107   1.189
   12   2H2*    A   1          2H2*        A   1   7.786   9.104   2.595
   13   1H5*    A   2          1H5*        A   2   7.826  10.781   4.503
   14   2H5*    A   2          2H5*        A   2   7.099  10.199   6.007
   15    H4*    A   2           H4*        A   2   5.510  11.604   4.789
   16    H3*    A   2           H3*        A   2   4.972   8.840   5.492
   17    H1*    A   2           H1*        A   2   3.713  10.722   2.280
   18    H8     A   2           H8         A   2   5.790   7.435   1.951
   19   1H6     A   2          1H6         A   2   5.002   8.125  -4.109
   20   2H6     A   2          2H6         A   2   5.743   7.152  -2.858
   21    H2     A   2           H2         A   2   2.967  11.566  -2.043
   22   1H2*    A   2          1H2*        A   2   4.253   8.069   3.516
   23   2H2*    A   2          2H2*        A   2   2.858   9.166   3.711
   24   1H5*    G   3          1H5*        G   3   1.193   8.479   5.396
   25   2H5*    G   3          2H5*        G   3   1.544  10.209   5.165
   26    H4*    G   3           H4*        G   3  -0.532  10.793   6.325
   27    H3*    G   3           H3*        G   3  -0.325   8.244   7.417
   28    H1*    G   3           H1*        G   3  -3.002   9.061   4.590
   29    H8     G   3           H8         G   3  -3.334   8.488   2.149
   30    H1     G   3           H1         G   3   1.343   4.172   2.079
   31   1H2     G   3          1H2         G   3   1.987   5.267   5.343
   32   2H2     G   3          2H2         G   3   2.423   4.177   4.046
   33   1H2*    G   3          1H2*        G   3  -1.234   6.971   5.755
   34   2H2*    G   3          2H2*        G   3  -2.800   7.605   6.349
   35   1H5*    G   4          1H5*        G   4  -4.119  10.147   6.507
   36   2H5*    G   4          2H5*        G   4  -5.517   9.940   7.581
   37    H4*    G   4           H4*        G   4  -6.153   9.745   5.199
   38    H3*    G   4           H3*        G   4  -6.462   7.571   7.188
   39    H1*    G   4           H1*        G   4  -6.135   7.516   3.281
   40    H8     G   4           H8         G   4  -4.057   5.455   5.805
   41    H1     G   4           H1         G   4  -3.969   3.220  -0.163
   42   1H2     G   4          1H2         G   4  -6.139   5.895  -0.825
   43   2H2     G   4          2H2         G   4  -5.302   4.496  -1.458
   44   1H2*    G   4          1H2*        G   4  -6.550   5.889   5.699
   45   2H2*    G   4          2H2*        G   4  -7.732   6.793   4.702
   46   1H5*    T   5          1H5*        T   5  -9.300   8.621   3.897
   47   2H5*    T   5          2H5*        T   5 -10.995   8.482   4.411
   48    H4*    T   5           H4*        T   5 -10.688   7.742   2.086
   49    H3*    T   5           H3*        T   5 -11.884   6.231   4.217
   50   1H2*    T   5          1H2*        T   5 -10.783   4.252   3.877
   51   2H2*    T   5          2H2*        T   5 -11.687   4.150   2.342
   52    H1*    T   5           H1*        T   5  -9.881   4.950   1.096
   53    H3     T   5           H3         T   5  -6.845   1.702   1.106
   54   1H5M    T   5          1H5M        T   5  -6.596   3.607   5.995
   55   2H5M    T   5          2H5M        T   5  -6.205   1.899   5.679
   56   3H5M    T   5          3H5M        T   5  -7.847   2.357   6.190
   57    H6     T   5           H6         T   5  -8.729   4.390   4.609
   58   1H5*    T   6          1H5*        T   6 -16.662   6.758   0.442
   59   2H5*    T   6          2H5*        T   6 -16.282   5.414   1.528
   60    H4*    T   6           H4*        T   6 -16.017   4.891  -0.940
   61    H3*    T   6           H3*        T   6 -14.255   4.195   1.193
   62   1H2*    T   6          1H2*        T   6 -12.340   5.194   0.443
   63   2H2*    T   6          2H2*        T   6 -12.310   3.875  -0.755
   64    H1*    T   6           H1*        T   6 -13.147   5.245  -2.449
   65    H3     T   6           H3         T   6  -9.827   7.992  -3.461
   66   1H5M    T   6          1H5M        T   6 -12.250  10.179   0.720
   67   2H5M    T   6          2H5M        T   6 -10.669  10.760   0.146
   68   3H5M    T   6          3H5M        T   6 -10.751   9.497   1.395
   69    H6     T   6           H6         T   6 -12.724   7.671   0.366
   70   1H5*    T   7          1H5*        T   7 -13.135   1.765  -2.079
   71   2H5*    T   7          2H5*        T   7 -14.009   0.225  -2.099
   72    H4*    T   7           H4*        T   7 -11.596   0.175  -3.000
   73    H3*    T   7           H3*        T   7 -13.101  -1.651  -1.421
   74   1H2*    T   7          1H2*        T   7 -11.734  -1.821   0.391
   75   2H2*    T   7          2H2*        T   7 -10.631  -2.718  -0.698
   76    H1*    T   7           H1*        T   7  -9.246  -0.900  -0.936
   77    H3     T   7           H3         T   7  -7.643  -0.956   3.228
   78   1H5M    T   7          1H5M        T   7 -11.120   1.649   4.852
   79   2H5M    T   7          2H5M        T   7 -12.439   0.757   4.059
   80   3H5M    T   7          3H5M        T   7 -11.865   2.296   3.371
   81    H6     T   7           H6         T   7 -11.705   0.744   1.280
   82   1H5*    T   8          1H5*        T   8  -9.737  -4.583  -1.693
   83   2H5*    T   8          2H5*        T   8  -8.745  -3.645  -2.833
   84    H4*    T   8           H4*        T   8  -7.886  -5.958  -2.460
   85    H3*    T   8           H3*        T   8  -8.286  -4.562  -4.881
   86   1H2*    T   8          1H2*        T   8  -9.706  -5.981  -5.989
   87   2H2*    T   8          2H2*        T   8  -8.306  -7.079  -6.097
   88    H1*    T   8           H1*        T   8  -9.064  -8.419  -4.409
   89    H3     T   8           H3         T   8 -12.811 -10.378  -5.774
   90   1H5M    T   8          1H5M        T   8 -13.908  -5.310  -6.373
   91   2H5M    T   8          2H5M        T   8 -14.364  -5.486  -4.663
   92   3H5M    T   8          3H5M        T   8 -15.208  -6.434  -5.911
   93    H6     T   8           H6         T   8 -11.723  -5.795  -4.820
   94   1H5*    A   9          1H5*        A   9  -6.207  -3.281  -4.895
   95   2H5*    A   9          2H5*        A   9  -4.730  -2.625  -5.628
   96    H4*    A   9           H4*        A   9  -3.486  -3.450  -3.568
   97    H3*    A   9           H3*        A   9  -6.086  -4.537  -2.967
   98    H1*    A   9           H1*        A   9  -4.355  -1.484  -1.128
   99    H8     A   9           H8         A   9  -5.451   0.416   0.036
  100   1H6     A   9          1H6         A   9 -10.278   2.827  -2.887
  101   2H6     A   9          2H6         A   9  -9.219   2.947  -1.491
  102    H2     A   9           H2         A   9  -8.962  -0.862  -5.153
  103   1H2*    A   9          1H2*        A   9  -6.921  -2.876  -1.680
  104   2H2*    A   9          2H2*        A   9  -5.632  -3.283  -0.504
  105   1H5*    A  10          1H5*        A  10  -2.122  -6.221  -3.033
  106   2H5*    A  10          2H5*        A  10  -1.671  -7.867  -2.599
  107    H4*    A  10           H4*        A  10   0.199  -6.584  -1.843
  108    H3*    A  10           H3*        A  10  -1.542  -7.587   0.234
  109    H1*    A  10           H1*        A  10   0.434  -4.154   0.292
  110    H8     A  10           H8         A  10  -2.433  -2.985  -1.325
  111   1H6     A  10          1H6         A  10  -4.229   0.224   3.560
  112   2H6     A  10          2H6         A  10  -4.461  -0.078   1.855
  113    H2     A  10           H2         A  10  -0.972  -2.635   4.872
  114   1H2*    A  10          1H2*        A  10  -1.865  -5.647   1.406
  115   2H2*    A  10          2H2*        A  10  -0.131  -5.747   1.813
  116   1H5*    G  11          1H5*        G  11   3.555  -7.969  -1.677
  117   2H5*    G  11          2H5*        G  11   2.644  -6.521  -1.205
  118    H4*    G  11           H4*        G  11   3.086  -7.513  -4.051
  119    H3*    G  11           H3*        G  11   4.717  -5.874  -2.345
  120    H1*    G  11           H1*        G  11   2.460  -4.635  -5.299
  121    H8     G  11           H8         G  11   0.516  -3.096  -5.630
  122    H1     G  11           H1         G  11   0.693  -0.869   0.342
  123   1H2     G  11          1H2         G  11   3.113  -3.373   0.810
  124   2H2     G  11          2H2         G  11   2.198  -2.065   1.520
  125   1H2*    G  11          1H2*        G  11   3.778  -3.865  -2.739
  126   2H2*    G  11          2H2*        G  11   4.455  -3.997  -4.390
  127   1H5*    G  12          1H5*        G  12   4.035  -5.335  -6.487
  128   2H5*    G  12          2H5*        G  12   5.472  -5.322  -7.530
  129    H4*    G  12           H4*        G  12   3.825  -3.805  -8.472
  130    H3*    G  12           H3*        G  12   6.415  -2.992  -7.526
  131    H1*    G  12           H1*        G  12   3.118  -0.896  -7.529
  132    H8     G  12           H8         G  12   5.160  -1.455  -4.268
  133    H1     G  12           H1         G  12   0.238   2.558  -3.739
  134   1H2     G  12          1H2         G  12  -0.441   1.620  -7.052
  135   2H2     G  12          2H2         G  12  -0.911   2.603  -5.682
  136   1H2*    G  12          1H2*        G  12   5.865  -1.141  -6.416
  137   2H2*    G  12          2H2*        G  12   5.303  -0.460  -7.971
  138    HO3    G  12           HO3        G  12   4.719  -2.155  -9.655
  139   1H5*    A   1          1H5*        A   1 -12.561  -2.141   6.948
  140   2H5*    A   1          2H5*        A   1 -12.141  -0.486   7.425
  141    H4*    A   1           H4*        A   1 -10.879  -1.992   8.851
  142    H3*    A   1           H3*        A   1  -9.620  -0.161   7.068
  143    H1*    A   1           H1*        A   1  -8.227  -3.815   7.794
  144    H8     A   1           H8         A   1  -6.722  -4.949   6.093
  145   1H6     A   1          1H6         A   1  -7.864  -5.895   1.478
  146   2H6     A   1          2H6         A   1  -9.224  -5.443   0.472
  147    H2     A   1           H2         A   1 -11.935  -2.912   3.018
  148    H5T    A   1           H5T        A   1 -11.083  -1.933   5.221
  149   1H2*    A   1          1H2*        A   1  -8.217  -1.531   5.937
  150   2H2*    A   1          2H2*        A   1  -7.353  -1.760   7.481
  151   1H5*    A   2          1H5*        A   2  -6.804  -2.312   9.900
  152   2H5*    A   2          2H5*        A   2  -5.763  -1.130  10.704
  153    H4*    A   2           H4*        A   2  -4.442  -3.048   9.954
  154    H3*    A   2           H3*        A   2  -3.927  -0.326   9.086
  155    H1*    A   2           H1*        A   2  -3.394  -3.594   6.969
  156    H8     A   2           H8         A   2  -5.696  -0.738   5.641
  157   1H6     A   2          1H6         A   2  -6.410  -4.296   0.674
  158   2H6     A   2          2H6         A   2  -6.875  -2.796   1.447
  159    H2     A   2           H2         A   2  -3.702  -6.451   3.550
  160   1H2*    A   2          1H2*        A   2  -3.778  -0.644   6.875
  161   2H2*    A   2          2H2*        A   2  -2.310  -1.602   7.214
  162   1H5*    G   3          1H5*        G   3  -0.324  -0.302   7.885
  163   2H5*    G   3          2H5*        G   3  -0.608  -1.905   8.608
  164    H4*    G   3           H4*        G   3   1.726  -1.996   9.342
  165    H3*    G   3           H3*        G   3   1.634   0.772   9.093
  166    H1*    G   3           H1*        G   3   3.563  -1.471   6.433
  167    H8     G   3           H8         G   3   3.234  -2.160   4.022
  168    H1     G   3           H1         G   3  -1.582   1.890   3.070
  169   1H2     G   3          1H2         G   3  -1.314   2.536   6.501
  170   2H2     G   3          2H2         G   3  -2.131   2.898   4.998
  171   1H2*    G   3          1H2*        G   3   2.012   1.032   6.856
  172   2H2*    G   3          2H2*        G   3   3.716   0.658   7.266
  173   1H5*    G   4          1H5*        G   4   5.194  -1.577   8.286
  174   2H5*    G   4          2H5*        G   4   6.800  -0.973   8.739
  175    H4*    G   4           H4*        G   4   6.804  -1.984   6.483
  176    H3*    G   4           H3*        G   4   7.460   0.851   7.037
  177    H1*    G   4           H1*        G   4   6.160  -0.950   3.806
  178    H8     G   4           H8         G   4   4.652   2.198   5.464
  179    H1     G   4           H1         G   4   2.923   1.303  -0.605
  180   1H2     G   4          1H2         G   4   5.028  -1.496  -0.425
  181   2H2     G   4          2H2         G   4   3.970  -0.520  -1.417
  182   1H2*    G   4          1H2*        G   4   7.062   1.605   4.957
  183   2H2*    G   4          2H2*        G   4   8.012   0.259   4.255
  184   1H5*    T   5          1H5*        T   5   9.443  -1.830   4.059
  185   2H5*    T   5          2H5*        T   5  11.200  -1.573   4.000
  186    H4*    T   5           H4*        T   5  10.272  -2.017   1.767
  187    H3*    T   5           H3*        T   5  11.863   0.248   2.537
  188   1H2*    T   5          1H2*        T   5  10.586   1.890   1.579
  189   2H2*    T   5          2H2*        T   5  11.067   1.185   0.013
  190    H1*    T   5           H1*        T   5   9.062   0.007  -0.200
  191    H3     T   5           H3         T   5   5.921   3.052  -0.986
  192   1H5M    T   5          1H5M        T   5   7.036   3.741   4.104
  193   2H5M    T   5          2H5M        T   5   6.460   5.108   3.119
  194   3H5M    T   5          3H5M        T   5   8.206   4.851   3.352
  195    H6     T   5           H6         T   5   8.796   2.252   2.776
  196   1H5*    T   6          1H5*        T   6  15.566  -2.333  -1.586
  197   2H5*    T   6          2H5*        T   6  15.384  -0.611  -1.221
  198    H4*    T   6           H4*        T   6  14.475  -1.318  -3.480
  199    H3*    T   6           H3*        T   6  13.263   0.429  -1.578
  200   1H2*    T   6          1H2*        T   6  11.290  -0.681  -1.250
  201   2H2*    T   6          2H2*        T   6  10.874  -0.098  -2.882
  202    H1*    T   6           H1*        T   6  11.347  -2.163  -3.861
  203    H3     T   6           H3         T   6   8.066  -4.836  -2.564
  204   1H5M    T   6          1H5M        T   6  11.597  -4.905   1.393
  205   2H5M    T   6          2H5M        T   6   9.965  -5.588   1.584
  206   3H5M    T   6          3H5M        T   6  10.273  -3.889   2.011
  207    H6     T   6           H6         T   6  11.803  -2.911  -0.225
  208   1H5*    T   7          1H5*        T   7  11.202   1.062  -5.213
  209   2H5*    T   7          2H5*        T   7  11.939   2.344  -6.186
  210    H4*    T   7           H4*        T   7   9.380   2.112  -6.363
  211    H3*    T   7           H3*        T   7  11.111   4.370  -6.286
  212   1H2*    T   7          1H2*        T   7  10.233   5.475  -4.500
  213   2H2*    T   7          2H2*        T   7   8.837   5.810  -5.570
  214    H1*    T   7           H1*        T   7   7.559   4.195  -4.552
  215    H3     T   7           H3         T   7   7.051   6.344  -0.673
  216   1H5M    T   7          1H5M        T   7  10.985   4.610   1.068
  217   2H5M    T   7          2H5M        T   7  12.002   4.931  -0.355
  218   3H5M    T   7          3H5M        T   7  11.379   3.290  -0.057
  219    H6     T   7           H6         T   7  10.595   3.658  -2.517
  220   1H5*    T   8          1H5*        T   8   7.601   7.026  -7.075
  221   2H5*    T   8          2H5*        T   8   6.419   5.722  -7.337
  222    H4*    T   8           H4*        T   8   5.532   7.982  -7.914
  223    H3*    T   8           H3*        T   8   5.402   5.576  -9.384
  224   1H2*    T   8          1H2*        T   8   6.404   6.194 -11.351
  225   2H2*    T   8          2H2*        T   8   4.952   7.195 -11.617
  226    H1*    T   8           H1*        T   8   6.021   9.127 -11.028
  227    H3     T   8           H3         T   8   9.169   9.945 -14.055
  228   1H5M    T   8          1H5M        T   8  10.411   5.150 -12.417
  229   2H5M    T   8          2H5M        T   8  11.261   6.086 -11.164
  230   3H5M    T   8          3H5M        T   8  11.711   6.275 -12.876
  231    H6     T   8           H6         T   8   8.657   6.459 -10.784
  232   1H5*    A   9          1H5*        A   9   3.475   4.583  -8.260
  233   2H5*    A   9          2H5*        A   9   1.906   3.754  -8.193
  234    H4*    A   9           H4*        A   9   1.168   5.542  -6.543
  235    H3*    A   9           H3*        A   9   3.758   6.615  -7.209
  236    H1*    A   9           H1*        A   9   2.748   4.934  -3.767
  237    H8     A   9           H8         A   9   4.222   3.756  -2.152
  238   1H6     A   9          1H6         A   9   8.308  -0.069  -4.668
  239   2H6     A   9          2H6         A   9   7.644   0.565  -3.169
  240    H2     A   9           H2         A   9   6.228   2.161  -8.010
  241   1H2*    A   9          1H2*        A   9   4.996   5.721  -5.541
  242   2H2*    A   9          2H2*        A   9   4.021   6.725  -4.423
  243   1H5*    A  10          1H5*        A  10  -0.195   8.315  -7.077
  244   2H5*    A  10          2H5*        A  10  -0.629   9.993  -7.387
  245    H4*    A  10           H4*        A  10  -2.163   9.353  -5.667
  246    H3*    A  10           H3*        A  10  -0.026  11.114  -4.837
  247    H1*    A  10           H1*        A  10  -1.696   8.263  -2.650
  248    H8     A  10           H8         A  10   0.743   6.279  -4.167
  249   1H6     A  10          1H6         A  10   3.913   5.692   1.028
  250   2H6     A  10          2H6         A  10   3.689   5.125  -0.610
  251    H2     A  10           H2         A  10   0.910   9.035   1.579
  252   1H2*    A  10          1H2*        A  10   0.706   9.955  -3.004
  253   2H2*    A  10          2H2*        A  10  -0.873  10.350  -2.274
  254   1H5*    G  11          1H5*        G  11  -5.453  10.864  -5.350
  255   2H5*    G  11          2H5*        G  11  -4.361   9.764  -4.487
  256    H4*    G  11           H4*        G  11  -5.565   9.298  -7.246
  257    H3*    G  11           H3*        G  11  -6.606   8.786  -4.616
  258    H1*    G  11           H1*        G  11  -5.086   6.141  -7.074
  259    H8     G  11           H8         G  11  -3.185   4.506  -7.103
  260    H1     G  11           H1         G  11  -1.719   5.428  -0.969
  261   1H2     G  11          1H2         G  11  -4.102   8.003  -1.167
  262   2H2     G  11          2H2         G  11  -2.955   7.138  -0.173
  263   1H2*    G  11          1H2*        G  11  -5.668   6.778  -4.222
  264   2H2*    G  11          2H2*        G  11  -6.743   6.147  -5.504
  265   1H5*    G  12          1H5*        G  12  -6.953   6.290  -8.015
  266   2H5*    G  12          2H5*        G  12  -8.602   5.870  -8.524
  267    H4*    G  12           H4*        G  12  -7.145   3.985  -9.005
  268    H3*    G  12           H3*        G  12  -9.359   3.890  -7.166
  269    H1*    G  12           H1*        G  12  -6.034   1.842  -6.993
  270    H8     G  12           H8         G  12  -7.229   4.026  -4.006
  271    H1     G  12           H1         G  12  -2.079   0.445  -2.875
  272   1H2     G  12          1H2         G  12  -2.316  -0.365  -6.282
  273   2H2     G  12          2H2         G  12  -1.454  -0.601  -4.775
  274   1H2*    G  12          1H2*        G  12  -8.427   2.767  -5.488
  275   2H2*    G  12          2H2*        G  12  -8.230   1.390  -6.611
  276    HO3    G  12           HO3        G  12  -9.060   3.056  -9.402
  Start of MODEL    5
    1   1H5*    A   1          1H5*        A   1  12.523   7.846   2.198
    2   2H5*    A   1          2H5*        A   1  11.572   8.118   0.724
    3    H4*    A   1           H4*        A   1  11.703  10.037   3.089
    4    H3*    A   1           H3*        A   1  10.204   7.616   2.862
    5    H1*    A   1           H1*        A   1   8.689  11.228   2.170
    6    H8     A   1           H8         A   1   6.722  11.602   0.672
    7   1H6     A   1          1H6         A   1   6.317  10.204  -3.947
    8   2H6     A   1          2H6         A   1   7.283   9.159  -4.965
    9    H2     A   1           H2         A   1  10.729   7.728  -2.460
   10    H5T    A   1           H5T        A   1  12.804  10.196   0.659
   11   1H2*    A   1          1H2*        A   1   8.394   8.338   1.683
   12   2H2*    A   1          2H2*        A   1   7.983   9.304   3.125
   13   1H5*    A   2          1H5*        A   2   8.021  10.870   5.123
   14   2H5*    A   2          2H5*        A   2   7.296  10.242   6.610
   15    H4*    A   2           H4*        A   2   5.669  11.583   5.358
   16    H3*    A   2           H3*        A   2   5.244   8.739   5.956
   17    H1*    A   2           H1*        A   2   4.001  10.679   2.728
   18    H8     A   2           H8         A   2   6.115   7.418   2.823
   19   1H6     A   2          1H6         A   2   5.090   7.178  -3.230
   20   2H6     A   2          2H6         A   2   5.811   6.362  -1.859
   21    H2     A   2           H2         A   2   3.213  10.942  -1.658
   22   1H2*    A   2          1H2*        A   2   4.290   8.075   4.066
   23   2H2*    A   2          2H2*        A   2   3.044   9.331   4.275
   24   1H5*    G   3          1H5*        G   3   1.402   8.392   5.745
   25   2H5*    G   3          2H5*        G   3   1.684  10.131   5.478
   26    H4*    G   3           H4*        G   3  -0.523  10.644   6.403
   27    H3*    G   3           H3*        G   3  -0.296   8.137   7.618
   28    H1*    G   3           H1*        G   3  -2.782   8.847   4.636
   29    H8     G   3           H8         G   3  -3.162   8.069   2.247
   30    H1     G   3           H1         G   3   1.621   3.862   2.403
   31   1H2     G   3          1H2         G   3   2.324   5.278   5.537
   32   2H2     G   3          2H2         G   3   2.762   4.087   4.331
   33   1H2*    G   3          1H2*        G   3  -1.019   6.794   5.915
   34   2H2*    G   3          2H2*        G   3  -2.648   7.356   6.400
   35   1H5*    G   4          1H5*        G   4  -4.263  10.035   6.276
   36   2H5*    G   4          2H5*        G   4  -5.616   9.707   7.376
   37    H4*    G   4           H4*        G   4  -6.266   9.576   4.974
   38    H3*    G   4           H3*        G   4  -6.565   7.391   6.938
   39    H1*    G   4           H1*        G   4  -6.215   7.349   3.022
   40    H8     G   4           H8         G   4  -4.000   5.363   5.496
   41    H1     G   4           H1         G   4  -3.975   3.092  -0.457
   42   1H2     G   4          1H2         G   4  -6.198   5.687  -1.146
   43   2H2     G   4          2H2         G   4  -5.333   4.288  -1.751
   44   1H2*    G   4          1H2*        G   4  -6.512   5.697   5.459
   45   2H2*    G   4          2H2*        G   4  -7.762   6.510   4.470
   46   1H5*    T   5          1H5*        T   5 -10.673   8.236   4.620
   47   2H5*    T   5          2H5*        T   5 -11.953   7.263   5.372
   48    H4*    T   5           H4*        T   5 -11.491   6.960   2.849
   49    H3*    T   5           H3*        T   5 -12.247   5.100   4.925
   50   1H2*    T   5          1H2*        T   5 -10.639   3.522   4.480
   51   2H2*    T   5          2H2*        T   5 -11.553   3.215   2.977
   52    H1*    T   5           H1*        T   5 -10.145   4.614   1.708
   53    H3     T   5           H3         T   5  -6.519   2.238   1.013
   54   1H5M    T   5          1H5M        T   5  -7.156   1.872   6.185
   55   2H5M    T   5          2H5M        T   5  -6.201   3.373   6.135
   56   3H5M    T   5          3H5M        T   5  -5.509   1.857   5.510
   57    H6     T   5           H6         T   5  -8.601   3.863   5.023
   58   1H5*    T   6          1H5*        T   6 -16.421   6.021   0.523
   59   2H5*    T   6          2H5*        T   6 -16.020   4.831   1.772
   60    H4*    T   6           H4*        T   6 -15.900   3.983  -0.636
   61    H3*    T   6           H3*        T   6 -14.173   3.446   1.546
   62   1H2*    T   6          1H2*        T   6 -12.214   4.274   0.748
   63   2H2*    T   6          2H2*        T   6 -12.221   2.859  -0.333
   64    H1*    T   6           H1*        T   6 -12.880   4.129  -2.156
   65    H3     T   6           H3         T   6  -9.487   6.837  -3.078
   66   1H5M    T   6          1H5M        T   6 -10.530   8.369   1.706
   67   2H5M    T   6          2H5M        T   6 -12.018   9.080   1.035
   68   3H5M    T   6          3H5M        T   6 -10.428   9.654   0.479
   69    H6     T   6           H6         T   6 -12.617   6.687   0.569
   70   1H5*    T   7          1H5*        T   7 -13.809   0.878  -1.549
   71   2H5*    T   7          2H5*        T   7 -13.878  -0.874  -1.786
   72    H4*    T   7           H4*        T   7 -11.693   0.363  -2.516
   73    H3*    T   7           H3*        T   7 -12.208  -2.234  -1.541
   74   1H2*    T   7          1H2*        T   7 -11.068  -2.106   0.460
   75   2H2*    T   7          2H2*        T   7  -9.630  -2.310  -0.595
   76    H1*    T   7           H1*        T   7  -9.119  -0.087  -0.523
   77    H3     T   7           H3         T   7  -7.545  -0.165   3.687
   78   1H5M    T   7          1H5M        T   7 -12.678  -0.694   4.408
   79   2H5M    T   7          2H5M        T   7 -12.648   1.070   4.171
   80   3H5M    T   7          3H5M        T   7 -11.756   0.339   5.526
   81    H6     T   7           H6         T   7 -11.970  -0.028   1.818
   82   1H5*    T   8          1H5*        T   8  -9.946  -4.517  -2.624
   83   2H5*    T   8          2H5*        T   8  -9.020  -3.208  -3.380
   84    H4*    T   8           H4*        T   8  -7.942  -5.364  -3.775
   85    H3*    T   8           H3*        T   8  -8.606  -3.477  -5.747
   86   1H2*    T   8          1H2*        T   8 -10.046  -4.690  -7.077
   87   2H2*    T   8          2H2*        T   8  -8.585  -5.586  -7.571
   88    H1*    T   8           H1*        T   8  -9.093  -7.390  -6.254
   89    H3     T   8           H3         T   8 -12.850  -9.320  -7.640
   90   1H5M    T   8          1H5M        T   8 -15.481  -5.659  -6.628
   91   2H5M    T   8          2H5M        T   8 -14.307  -4.353  -6.923
   92   3H5M    T   8          3H5M        T   8 -14.560  -4.965  -5.272
   93    H6     T   8           H6         T   8 -11.952  -4.984  -5.772
   94   1H5*    A   9          1H5*        A   9  -6.466  -2.094  -5.458
   95   2H5*    A   9          2H5*        A   9  -5.064  -1.244  -6.135
   96    H4*    A   9           H4*        A   9  -3.639  -2.388  -4.378
   97    H3*    A   9           H3*        A   9  -6.019  -3.852  -3.861
   98    H1*    A   9           H1*        A   9  -4.532  -1.053  -1.521
   99    H8     A   9           H8         A   9  -5.544   0.693  -0.096
  100   1H6     A   9          1H6         A   9 -10.635   3.308  -2.320
  101   2H6     A   9          2H6         A   9  -9.459   3.308  -1.019
  102    H2     A   9           H2         A   9  -9.441  -0.002  -5.126
  103   1H2*    A   9          1H2*        A   9  -7.046  -2.407  -2.386
  104   2H2*    A   9          2H2*        A   9  -5.790  -2.972  -1.243
  105   1H5*    A  10          1H5*        A  10  -2.129  -4.657  -2.983
  106   2H5*    A  10          2H5*        A  10  -1.529  -6.313  -3.045
  107    H4*    A  10           H4*        A  10   0.214  -5.192  -1.831
  108    H3*    A  10           H3*        A  10  -1.525  -6.836  -0.203
  109    H1*    A  10           H1*        A  10   0.313  -3.552   0.804
  110    H8     A  10           H8         A  10  -2.499  -1.854  -0.410
  111   1H6     A  10          1H6         A  10  -3.945   0.628   3.501
  112   2H6     A  10          2H6         A  10  -3.618   0.441   5.209
  113    H2     A  10           H2         A  10  -0.898  -3.090   5.646
  114   1H2*    A  10          1H2*        A  10  -2.061  -5.255   1.379
  115   2H2*    A  10          2H2*        A  10  -0.365  -5.433   1.907
  116   1H5*    G  11          1H5*        G  11   1.166  -7.505  -3.995
  117   2H5*    G  11          2H5*        G  11   2.859  -7.689  -3.506
  118    H4*    G  11           H4*        G  11   2.603  -6.237  -5.478
  119    H3*    G  11           H3*        G  11   4.079  -5.580  -3.095
  120    H1*    G  11           H1*        G  11   2.327  -3.359  -5.602
  121    H8     G  11           H8         G  11   0.261  -1.929  -6.012
  122    H1     G  11           H1         G  11  -0.089  -0.136   0.095
  123   1H2     G  11          1H2         G  11   2.347  -2.609   0.587
  124   2H2     G  11          2H2         G  11   1.353  -1.361   1.303
  125   1H2*    G  11          1H2*        G  11   2.926  -3.621  -2.644
  126   2H2*    G  11          2H2*        G  11   3.966  -2.979  -3.951
  127   1H5*    G  12          1H5*        G  12   3.195  -5.168  -6.976
  128   2H5*    G  12          2H5*        G  12   3.524  -5.760  -8.615
  129    H4*    G  12           H4*        G  12   3.765  -3.626  -9.269
  130    H3*    G  12           H3*        G  12   6.163  -4.048  -7.614
  131    H1*    G  12           H1*        G  12   3.876  -0.913  -8.129
  132    H8     G  12           H8         G  12   5.672  -1.633  -4.781
  133    H1     G  12           H1         G  12   0.518   2.052  -4.200
  134   1H2     G  12          1H2         G  12   0.018   1.380  -7.591
  135   2H2     G  12          2H2         G  12  -0.556   2.190  -6.147
  136   1H2*    G  12          1H2*        G  12   6.285  -1.985  -6.756
  137   2H2*    G  12          2H2*        G  12   6.112  -1.283  -8.389
  138    HO3    G  12           HO3        G  12   5.847  -4.193  -9.986
  139   1H5*    A   1          1H5*        A   1 -12.112  -0.543   7.735
  140   2H5*    A   1          2H5*        A   1 -11.545  -1.547   6.384
  141    H4*    A   1           H4*        A   1 -10.952  -2.090   9.326
  142    H3*    A   1           H3*        A   1  -9.721  -0.175   7.601
  143    H1*    A   1           H1*        A   1  -8.195  -3.767   8.366
  144    H8     A   1           H8         A   1  -6.646  -4.939   6.790
  145   1H6     A   1          1H6         A   1  -7.505  -5.951   2.133
  146   2H6     A   1          2H6         A   1  -8.761  -5.459   1.019
  147    H2     A   1           H2         A   1 -11.556  -2.786   3.308
  148    H5T    A   1           H5T        A   1 -12.618  -3.320   7.611
  149   1H2*    A   1          1H2*        A   1  -8.222  -1.489   6.499
  150   2H2*    A   1          2H2*        A   1  -7.400  -1.671   8.071
  151   1H5*    A   2          1H5*        A   2  -6.832  -2.085  10.513
  152   2H5*    A   2          2H5*        A   2  -5.800  -0.870  11.280
  153    H4*    A   2           H4*        A   2  -4.455  -2.749  10.460
  154    H3*    A   2           H3*        A   2  -4.080  -0.001   9.497
  155    H1*    A   2           H1*        A   2  -3.563  -3.325   7.396
  156    H8     A   2           H8         A   2  -5.794  -0.287   6.447
  157   1H6     A   2          1H6         A   2  -6.338  -3.038   0.981
  158   2H6     A   2          2H6         A   2  -6.745  -1.622   1.926
  159    H2     A   2           H2         A   2  -3.883  -5.704   3.633
  160   1H2*    A   2          1H2*        A   2  -3.675  -0.386   7.349
  161   2H2*    A   2          2H2*        A   2  -2.338  -1.467   7.814
  162   1H5*    G   3          1H5*        G   3  -0.445  -0.047   8.190
  163   2H5*    G   3          2H5*        G   3  -0.671  -1.679   8.866
  164    H4*    G   3           H4*        G   3   1.726  -1.830   9.337
  165    H3*    G   3           H3*        G   3   1.648   0.961   9.217
  166    H1*    G   3           H1*        G   3   3.347  -1.248   6.424
  167    H8     G   3           H8         G   3   3.064  -1.735   3.947
  168    H1     G   3           H1         G   3  -1.790   2.335   3.265
  169   1H2     G   3          1H2         G   3  -1.592   2.640   6.754
  170   2H2     G   3          2H2         G   3  -2.394   3.134   5.282
  171   1H2*    G   3          1H2*        G   3   1.831   1.276   6.959
  172   2H2*    G   3          2H2*        G   3   3.562   0.909   7.229
  173   1H5*    G   4          1H5*        G   4   5.266  -1.600   7.998
  174   2H5*    G   4          2H5*        G   4   6.827  -0.877   8.430
  175    H4*    G   4           H4*        G   4   6.844  -1.952   6.183
  176    H3*    G   4           H3*        G   4   7.483   0.883   6.715
  177    H1*    G   4           H1*        G   4   6.159  -0.933   3.487
  178    H8     G   4           H8         G   4   4.513   2.135   5.175
  179    H1     G   4           H1         G   4   2.845   1.277  -0.915
  180   1H2     G   4          1H2         G   4   4.990  -1.469  -0.812
  181   2H2     G   4          2H2         G   4   3.911  -0.477  -1.773
  182   1H2*    G   4          1H2*        G   4   6.952   1.660   4.672
  183   2H2*    G   4          2H2*        G   4   7.962   0.394   3.916
  184   1H5*    T   5          1H5*        T   5  10.924  -1.235   4.137
  185   2H5*    T   5          2H5*        T   5  12.285  -0.105   3.985
  186    H4*    T   5           H4*        T   5  11.189  -1.017   1.831
  187    H3*    T   5           H3*        T   5  12.317   1.556   2.499
  188   1H2*    T   5          1H2*        T   5  10.549   2.829   1.772
  189   2H2*    T   5          2H2*        T   5  11.035   2.320   0.132
  190    H1*    T   5           H1*        T   5   9.446   0.578   0.086
  191    H3     T   5           H3         T   5   5.616   2.564  -0.725
  192   1H5M    T   5          1H5M        T   5   7.507   5.312   3.296
  193   2H5M    T   5          2H5M        T   5   6.662   4.039   4.208
  194   3H5M    T   5          3H5M        T   5   5.746   5.118   3.128
  195    H6     T   5           H6         T   5   8.739   2.923   2.906
  196   1H5*    T   6          1H5*        T   6  15.303  -1.628  -1.813
  197   2H5*    T   6          2H5*        T   6  15.153   0.037  -1.230
  198    H4*    T   6           H4*        T   6  14.376  -0.364  -3.632
  199    H3*    T   6           H3*        T   6  13.221   1.262  -1.619
  200   1H2*    T   6          1H2*        T   6  11.181   0.283  -1.404
  201   2H2*    T   6          2H2*        T   6  10.827   1.005  -2.993
  202    H1*    T   6           H1*        T   6  11.088  -1.023  -4.084
  203    H3     T   6           H3         T   6   7.757  -3.615  -2.712
  204   1H5M    T   6          1H5M        T   6  10.107  -2.720   1.779
  205   2H5M    T   6          2H5M        T   6  11.369  -3.822   1.175
  206   3H5M    T   6          3H5M        T   6   9.707  -4.413   1.408
  207    H6     T   6           H6         T   6  11.684  -1.941  -0.500
  208   1H5*    T   7          1H5*        T   7  11.925   2.055  -5.363
  209   2H5*    T   7          2H5*        T   7  11.818   3.472  -6.416
  210    H4*    T   7           H4*        T   7   9.605   2.180  -5.890
  211    H3*    T   7           H3*        T   7  10.178   4.887  -6.442
  212   1H2*    T   7          1H2*        T   7   9.586   5.807  -4.410
  213   2H2*    T   7          2H2*        T   7   7.920   5.575  -5.034
  214    H1*    T   7           H1*        T   7   7.589   3.696  -3.782
  215    H3     T   7           H3         T   7   7.122   5.880   0.119
  216   1H5M    T   7          1H5M        T   7  12.235   6.327  -0.837
  217   2H5M    T   7          2H5M        T   7  12.240   4.692  -0.131
  218   3H5M    T   7          3H5M        T   7  11.682   6.079   0.836
  219    H6     T   7           H6         T   7  10.935   4.577  -2.499
  220   1H5*    T   8          1H5*        T   8   7.572   6.518  -7.879
  221   2H5*    T   8          2H5*        T   8   6.575   5.070  -7.654
  222    H4*    T   8           H4*        T   8   5.292   6.837  -8.747
  223    H3*    T   8           H3*        T   8   5.562   4.197  -9.670
  224   1H2*    T   8          1H2*        T   8   6.541   4.531 -11.730
  225   2H2*    T   8          2H2*        T   8   4.948   5.171 -12.210
  226    H1*    T   8           H1*        T   8   5.649   7.351 -12.092
  227    H3     T   8           H3         T   8   8.803   8.134 -15.124
  228   1H5M    T   8          1H5M        T   8  11.840   5.246 -13.177
  229   2H5M    T   8          2H5M        T   8  10.718   4.032 -12.516
  230   3H5M    T   8          3H5M        T   8  11.330   5.338 -11.474
  231    H6     T   8           H6         T   8   8.689   5.289 -11.253
  232   1H5*    A   9          1H5*        A   9   3.659   3.265  -8.229
  233   2H5*    A   9          2H5*        A   9   2.190   2.287  -8.041
  234    H4*    A   9           H4*        A   9   1.180   4.223  -6.751
  235    H3*    A   9           H3*        A   9   3.512   5.597  -7.615
  236    H1*    A   9           H1*        A   9   2.847   4.363  -3.933
  237    H8     A   9           H8         A   9   4.294   3.450  -2.152
  238   1H6     A   9          1H6         A   9   8.823  -0.236  -4.051
  239   2H6     A   9          2H6         A   9   8.015   0.463  -2.662
  240    H2     A   9           H2         A   9   6.751   1.398  -7.695
  241   1H2*    A   9          1H2*        A   9   4.968   4.970  -5.940
  242   2H2*    A   9          2H2*        A   9   4.006   6.092  -4.933
  243   1H5*    A  10          1H5*        A  10  -0.077   6.974  -6.283
  244   2H5*    A  10          2H5*        A  10  -0.781   8.433  -6.978
  245    H4*    A  10           H4*        A  10  -2.086   8.147  -4.983
  246    H3*    A  10           H3*        A  10  -0.106  10.252  -4.836
  247    H1*    A  10           H1*        A  10  -1.415   7.977  -1.955
  248    H8     A  10           H8         A  10   1.110   5.728  -2.872
  249   1H6     A  10          1H6         A  10   3.649   5.330   1.245
  250   2H6     A  10          2H6         A  10   3.748   6.333   2.674
  251    H2     A  10           H2         A  10   1.000   9.811   2.036
  252   1H2*    A  10          1H2*        A  10   0.912   9.590  -2.882
  253   2H2*    A  10          2H2*        A  10  -0.606  10.108  -2.098
  254   1H5*    G  11          1H5*        G  11  -3.701   9.199  -7.671
  255   2H5*    G  11          2H5*        G  11  -5.226   9.704  -6.921
  256    H4*    G  11           H4*        G  11  -5.376   7.473  -7.953
  257    H3*    G  11           H3*        G  11  -6.161   8.133  -5.261
  258    H1*    G  11           H1*        G  11  -4.954   4.875  -6.748
  259    H8     G  11           H8         G  11  -2.968   3.291  -6.928
  260    H1     G  11           H1         G  11  -0.981   4.620  -1.019
  261   1H2     G  11          1H2         G  11  -3.371   7.181  -1.177
  262   2H2     G  11          2H2         G  11  -2.150   6.365  -0.226
  263   1H2*    G  11          1H2*        G  11  -4.807   6.558  -4.234
  264   2H2*    G  11          2H2*        G  11  -6.097   5.438  -4.767
  265   1H5*    G  12          1H5*        G  12  -6.254   5.858  -8.551
  266   2H5*    G  12          2H5*        G  12  -7.020   5.614 -10.131
  267    H4*    G  12           H4*        G  12  -7.280   3.448  -9.601
  268    H3*    G  12           H3*        G  12  -9.207   4.766  -7.809
  269    H1*    G  12           H1*        G  12  -6.924   1.625  -7.316
  270    H8     G  12           H8         G  12  -7.865   3.974  -4.393
  271    H1     G  12           H1         G  12  -2.500   0.689  -3.434
  272   1H2     G  12          1H2         G  12  -2.912  -0.377  -6.735
  273   2H2     G  12          2H2         G  12  -1.943  -0.434  -5.277
  274   1H2*    G  12          1H2*        G  12  -8.975   3.379  -6.070
  275   2H2*    G  12          2H2*        G  12  -9.173   1.971  -7.150
  276    HO3    G  12           HO3        G  12  -9.486   3.717  -9.962
  Start of MODEL    6
    1   1H5*    A   1          1H5*        A   1  13.052   9.108  -0.092
    2   2H5*    A   1          2H5*        A   1  12.946   7.768   1.062
    3    H4*    A   1           H4*        A   1  12.130   9.777   2.175
    4    H3*    A   1           H3*        A   1  10.524   7.466   1.801
    5    H1*    A   1           H1*        A   1   9.105  11.167   1.515
    6    H8     A   1           H8         A   1   6.968  11.556   0.167
    7   1H6     A   1          1H6         A   1   6.548  10.895  -4.594
    8   2H6     A   1          2H6         A   1   7.573  10.133  -5.790
    9    H2     A   1           H2         A   1  11.214   8.641  -3.613
   10    H5T    A   1           H5T        A   1  11.170   8.366  -1.067
   11   1H2*    A   1          1H2*        A   1   8.724   8.346   0.731
   12   2H2*    A   1          2H2*        A   1   8.362   9.170   2.271
   13   1H5*    A   2          1H5*        A   2   8.601  10.561   4.407
   14   2H5*    A   2          2H5*        A   2   7.948   9.855   5.892
   15    H4*    A   2           H4*        A   2   6.316  11.374   4.886
   16    H3*    A   2           H3*        A   2   5.786   8.514   5.269
   17    H1*    A   2           H1*        A   2   4.402  10.823   2.366
   18    H8     A   2           H8         A   2   6.342   7.485   1.902
   19   1H6     A   2          1H6         A   2   5.644   7.041  -2.860
   20   2H6     A   2          2H6         A   2   4.818   8.031  -4.041
   21    H2     A   2           H2         A   2   3.186  11.590  -1.851
   22   1H2*    A   2          1H2*        A   2   4.635   8.081   3.412
   23   2H2*    A   2          2H2*        A   2   3.492   9.380   3.846
   24   1H5*    G   3          1H5*        G   3   1.843   8.677   5.168
   25   2H5*    G   3          2H5*        G   3   2.017  10.449   5.087
   26    H4*    G   3           H4*        G   3  -0.087  10.703   6.324
   27    H3*    G   3           H3*        G   3   0.434   8.036   7.072
   28    H1*    G   3           H1*        G   3  -2.478   9.075   4.603
   29    H8     G   3           H8         G   3  -3.100   8.623   2.188
   30    H1     G   3           H1         G   3   1.510   4.296   1.416
   31   1H2     G   3          1H2         G   3   2.660   5.434   4.518
   32   2H2     G   3          2H2         G   3   2.882   4.324   3.184
   33   1H2*    G   3          1H2*        G   3  -0.585   6.915   5.395
   34   2H2*    G   3          2H2*        G   3  -2.122   7.430   6.161
   35   1H5*    G   4          1H5*        G   4  -3.267   9.900   6.812
   36   2H5*    G   4          2H5*        G   4  -4.587   9.762   7.992
   37    H4*    G   4           H4*        G   4  -5.451   9.891   5.681
   38    H3*    G   4           H3*        G   4  -5.876   7.623   7.512
   39    H1*    G   4           H1*        G   4  -5.807   7.750   3.583
   40    H8     G   4           H8         G   4  -3.640   5.461   5.820
   41    H1     G   4           H1         G   4  -4.192   3.536  -0.223
   42   1H2     G   4          1H2         G   4  -6.251   6.332  -0.581
   43   2H2     G   4          2H2         G   4  -5.525   4.930  -1.338
   44   1H2*    G   4          1H2*        G   4  -6.105   6.025   5.956
   45   2H2*    G   4          2H2*        G   4  -7.323   7.020   5.102
   46   1H5*    T   5          1H5*        T   5  -9.154   8.820   4.647
   47   2H5*    T   5          2H5*        T   5 -10.746   8.670   5.420
   48    H4*    T   5           H4*        T   5 -10.881   7.845   3.163
   49    H3*    T   5           H3*        T   5 -11.241   6.090   5.480
   50   1H2*    T   5          1H2*        T   5 -10.560   4.142   4.495
   51   2H2*    T   5          2H2*        T   5 -11.652   4.441   3.125
   52    H1*    T   5           H1*        T   5  -9.950   5.229   1.818
   53    H3     T   5           H3         T   5  -6.732   2.188   1.360
   54   1H5M    T   5          1H5M        T   5  -5.701   2.166   5.865
   55   2H5M    T   5          2H5M        T   5  -7.312   2.514   6.535
   56   3H5M    T   5          3H5M        T   5  -6.137   3.831   6.316
   57    H6     T   5           H6         T   5  -8.427   4.567   5.167
   58   1H5*    T   6          1H5*        T   6 -15.322   6.261   1.195
   59   2H5*    T   6          2H5*        T   6 -15.614   4.640   1.847
   60    H4*    T   6           H4*        T   6 -15.517   4.350  -0.521
   61    H3*    T   6           H3*        T   6 -13.487   3.274   1.189
   62   1H2*    T   6          2H2*        T   6 -11.657   4.084   0.179
   63   2H2*    T   6          1H2*        T   6 -12.009   2.927  -1.116
   64    H1*    T   6           H1*        T   6 -12.955   4.607  -2.482
   65    H3     T   6           H3         T   6  -9.086   6.575  -3.532
   66   1H5M    T   6          1H5M        T   6  -9.207   9.306   0.196
   67   2H5M    T   6          2H5M        T   6  -9.718   8.089   1.387
   68   3H5M    T   6          3H5M        T   6 -10.918   9.193   0.674
   69    H6     T   6           H6         T   6 -12.007   6.862   0.266
   70   1H5*    T   7          1H5*        T   7 -13.098   0.882  -1.873
   71   2H5*    T   7          2H5*        T   7 -13.742  -0.768  -1.911
   72    H4*    T   7           H4*        T   7 -11.310  -0.539  -2.637
   73    H3*    T   7           H3*        T   7 -12.627  -2.494  -1.092
   74   1H2*    T   7          1H2*        T   7 -11.530  -2.163   0.927
   75   2H2*    T   7          2H2*        T   7 -10.226  -3.094   0.126
   76    H1*    T   7           H1*        T   7  -9.008  -1.185  -0.342
   77    H3     T   7           H3         T   7  -7.529  -0.218   3.779
   78   1H5M    T   7          1H5M        T   7 -11.522   1.747   5.028
   79   2H5M    T   7          2H5M        T   7 -12.659   0.674   4.176
   80   3H5M    T   7          3H5M        T   7 -12.178   2.224   3.444
   81    H6     T   7           H6         T   7 -11.796   0.276   1.623
   82   1H5*    T   8          1H5*        T   8  -9.706  -4.903  -2.688
   83   2H5*    T   8          2H5*        T   8  -8.639  -3.590  -3.217
   84    H4*    T   8           H4*        T   8  -7.550  -5.683  -3.665
   85    H3*    T   8           H3*        T   8  -8.140  -3.767  -5.655
   86   1H2*    T   8          1H2*        T   8  -9.367  -5.020  -7.141
   87   2H2*    T   8          2H2*        T   8  -7.838  -5.879  -7.469
   88    H1*    T   8           H1*        T   8  -8.449  -7.693  -6.221
   89    H3     T   8           H3         T   8 -11.998  -9.655  -8.046
   90   1H5M    T   8          1H5M        T   8 -14.047  -5.422  -5.735
   91   2H5M    T   8          2H5M        T   8 -14.800  -6.079  -7.209
   92   3H5M    T   8          3H5M        T   8 -13.634  -4.738  -7.326
   93    H6     T   8           H6         T   8 -11.388  -5.358  -5.986
   94   1H5*    A   9          1H5*        A   9  -5.727  -2.159  -5.007
   95   2H5*    A   9          2H5*        A   9  -4.141  -1.528  -5.491
   96    H4*    A   9           H4*        A   9  -3.095  -2.818  -3.626
   97    H3*    A   9           H3*        A   9  -5.611  -4.135  -3.535
   98    H1*    A   9           H1*        A   9  -4.359  -1.574  -0.788
   99    H8     A   9           H8         A   9  -5.394   0.287   0.447
  100   1H6     A   9          1H6         A   9 -10.212   2.980  -2.265
  101   2H6     A   9          2H6         A   9  -9.125   3.020  -0.889
  102    H2     A   9           H2         A   9  -8.878  -0.452  -4.867
  103   1H2*    A   9          1H2*        A   9  -6.741  -2.790  -2.073
  104   2H2*    A   9          2H2*        A   9  -5.643  -3.471  -0.835
  105   1H5*    A  10          1H5*        A  10  -2.061  -5.881  -2.910
  106   2H5*    A  10          2H5*        A  10  -1.688  -7.580  -2.626
  107    H4*    A  10           H4*        A  10   0.203  -6.465  -1.681
  108    H3*    A  10           H3*        A  10  -1.672  -7.578   0.213
  109    H1*    A  10           H1*        A  10   0.397  -4.237   0.708
  110    H8     A  10           H8         A  10  -2.142  -2.723  -1.023
  111   1H6     A  10          1H6         A  10  -4.356   0.080   3.931
  112   2H6     A  10          2H6         A  10  -4.327   0.028   2.184
  113    H2     A  10           H2         A  10  -1.655  -3.259   5.315
  114   1H2*    A  10          1H2*        A  10  -1.986  -5.757   1.556
  115   2H2*    A  10          2H2*        A  10  -0.278  -5.952   2.024
  116   1H5*    G  11          1H5*        G  11   3.342  -8.107  -1.701
  117   2H5*    G  11          2H5*        G  11   2.539  -6.578  -1.290
  118    H4*    G  11           H4*        G  11   2.915  -7.740  -4.079
  119    H3*    G  11           H3*        G  11   4.599  -6.075  -2.478
  120    H1*    G  11           H1*        G  11   2.356  -4.867  -5.440
  121    H8     G  11           H8         G  11   0.480  -3.267  -5.856
  122    H1     G  11           H1         G  11   0.474  -0.983   0.092
  123   1H2     G  11          1H2         G  11   2.762  -3.561   0.709
  124   2H2     G  11          2H2         G  11   1.865  -2.204   1.355
  125   1H2*    G  11          1H2*        G  11   3.631  -4.076  -2.864
  126   2H2*    G  11          2H2*        G  11   4.331  -4.210  -4.507
  127   1H5*    G  12          1H5*        G  12   3.946  -5.451  -6.638
  128   2H5*    G  12          2H5*        G  12   5.378  -5.358  -7.687
  129    H4*    G  12           H4*        G  12   3.718  -3.748  -8.466
  130    H3*    G  12           H3*        G  12   6.348  -3.065  -7.527
  131    H1*    G  12           H1*        G  12   3.089  -0.939  -7.336
  132    H8     G  12           H8         G  12   5.082  -1.731  -4.086
  133    H1     G  12           H1         G  12   0.317   2.452  -3.398
  134   1H2     G  12          1H2         G  12  -0.304   1.796  -6.777
  135   2H2     G  12          2H2         G  12  -0.773   2.687  -5.347
  136   1H2*    G  12          1H2*        G  12   5.841  -1.304  -6.239
  137   2H2*    G  12          2H2*        G  12   5.285  -0.489  -7.734
  138    HO3    G  12           HO3        G  12   4.614  -2.007  -9.525
  139   1H5*    A   1          1H5*        A   1 -13.114  -2.706   6.544
  140   2H5*    A   1          2H5*        A   1 -12.806  -0.987   6.847
  141    H4*    A   1           H4*        A   1 -11.612  -2.268   8.540
  142    H3*    A   1           H3*        A   1 -10.305  -0.528   6.718
  143    H1*    A   1           H1*        A   1  -8.764  -3.998   7.891
  144    H8     A   1           H8         A   1  -7.012  -5.123   6.408
  145   1H6     A   1          1H6         A   1  -7.845  -6.852   1.981
  146   2H6     A   1          2H6         A   1  -9.184  -6.690   0.866
  147    H2     A   1           H2         A   1 -12.252  -4.104   2.897
  148    H5T    A   1           H5T        A   1 -11.589  -2.647   4.897
  149   1H2*    A   1          1H2*        A   1  -8.777  -1.929   5.785
  150   2H2*    A   1          2H2*        A   1  -7.987  -1.936   7.385
  151   1H5*    A   2          1H5*        A   2  -7.591  -2.116   9.909
  152   2H5*    A   2          2H5*        A   2  -6.634  -0.830  10.657
  153    H4*    A   2           H4*        A   2  -5.212  -2.749  10.127
  154    H3*    A   2           H3*        A   2  -4.791  -0.095   8.948
  155    H1*    A   2           H1*        A   2  -4.031  -3.597   7.263
  156    H8     A   2           H8         A   2  -6.237  -0.770   5.763
  157   1H6     A   2          1H6         A   2  -6.788  -2.705   1.367
  158   2H6     A   2          2H6         A   2  -6.221  -4.192   0.642
  159    H2     A   2           H2         A   2  -3.864  -6.366   3.777
  160   1H2*    A   2          1H2*        A   2  -4.172  -0.680   6.890
  161   2H2*    A   2          2H2*        A   2  -2.875  -1.685   7.590
  162   1H5*    G   3          1H5*        G   3  -0.997  -0.545   7.952
  163   2H5*    G   3          2H5*        G   3  -1.069  -2.124   8.777
  164    H4*    G   3           H4*        G   3   1.291  -1.890   9.410
  165    H3*    G   3           H3*        G   3   0.800   0.837   8.894
  166    H1*    G   3           H1*        G   3   3.061  -1.444   6.584
  167    H8     G   3           H8         G   3   3.027  -2.245   4.180
  168    H1     G   3           H1         G   3  -1.902   1.475   2.615
  169   1H2     G   3          1H2         G   3  -2.160   2.038   6.058
  170   2H2     G   3          2H2         G   3  -2.781   2.386   4.459
  171   1H2*    G   3          1H2*        G   3   1.290   0.948   6.692
  172   2H2*    G   3          2H2*        G   3   3.000   0.766   7.196
  173   1H5*    G   4          1H5*        G   4   4.431  -1.161   8.640
  174   2H5*    G   4          2H5*        G   4   5.992  -0.561   9.236
  175    H4*    G   4           H4*        G   4   6.256  -1.836   7.137
  176    H3*    G   4           H3*        G   4   6.977   0.998   7.486
  177    H1*    G   4           H1*        G   4   5.935  -0.990   4.257
  178    H8     G   4           H8         G   4   4.254   2.226   5.587
  179    H1     G   4           H1         G   4   3.144   0.984  -0.558
  180   1H2     G   4          1H2         G   4   5.226  -1.770  -0.037
  181   2H2     G   4          2H2         G   4   4.243  -0.858  -1.163
  182   1H2*    G   4          1H2*        G   4   6.703   1.638   5.355
  183   2H2*    G   4          2H2*        G   4   7.731   0.280   4.806
  184   1H5*    T   5          1H5*        T   5   9.503  -1.635   4.825
  185   2H5*    T   5          2H5*        T   5  11.224  -1.238   5.005
  186    H4*    T   5           H4*        T   5  10.736  -1.603   2.676
  187    H3*    T   5           H3*        T   5  11.549   1.017   3.696
  188   1H2*    T   5          1H2*        T   5  10.518   2.297   2.104
  189   2H2*    T   5          2H2*        T   5  11.249   1.307   0.821
  190    H1*    T   5           H1*        T   5   9.328   0.103   0.526
  191    H3     T   5           H3         T   5   5.908   2.757  -0.509
  192   1H5M    T   5          1H5M        T   5   6.040   4.999   3.530
  193   2H5M    T   5          2H5M        T   5   7.787   4.910   3.857
  194   3H5M    T   5          3H5M        T   5   6.682   3.728   4.599
  195    H6     T   5           H6         T   5   8.656   2.386   3.409
  196   1H5*    T   6          1H5*        T   6  14.428  -1.450  -0.851
  197   2H5*    T   6          2H5*        T   6  14.768   0.263  -1.152
  198    H4*    T   6           H4*        T   6  14.062  -0.611  -3.258
  199    H3*    T   6           H3*        T   6  12.460   1.283  -1.826
  200   1H2*    T   6          2H2*        T   6  10.491   0.209  -1.829
  201   2H2*    T   6          1H2*        T   6  10.432   0.580  -3.561
  202    H1*    T   6           H1*        T   6  11.112  -1.607  -4.143
  203    H3     T   6           H3         T   6   7.241  -3.580  -3.115
  204   1H5M    T   6          1H5M        T   6   8.463  -4.185   1.302
  205   2H5M    T   6          2H5M        T   6   9.196  -2.590   1.590
  206   3H5M    T   6          3H5M        T   6  10.230  -3.990   1.216
  207    H6     T   6           H6         T   6  11.034  -2.204  -0.513
  208   1H5*    T   7          1H5*        T   7  11.161   1.937  -5.451
  209   2H5*    T   7          2H5*        T   7  11.664   3.323  -6.434
  210    H4*    T   7           H4*        T   7   9.149   2.932  -6.325
  211    H3*    T   7           H3*        T   7  10.681   5.297  -6.291
  212   1H2*    T   7          1H2*        T   7  10.149   6.046  -4.159
  213   2H2*    T   7          2H2*        T   7   8.628   6.561  -4.951
  214    H1*    T   7           H1*        T   7   7.459   4.746  -4.126
  215    H3     T   7           H3         T   7   7.127   5.969   0.176
  216   1H5M    T   7          1H5M        T   7  11.425   4.582   1.166
  217   2H5M    T   7          2H5M        T   7  12.238   5.044  -0.347
  218   3H5M    T   7          3H5M        T   7  11.694   3.368  -0.106
  219    H6     T   7           H6         T   7  10.741   4.226  -2.472
  220   1H5*    T   8          1H5*        T   8   7.303   6.833  -8.055
  221   2H5*    T   8          2H5*        T   8   6.225   5.501  -7.603
  222    H4*    T   8           H4*        T   8   4.925   7.188  -8.709
  223    H3*    T   8           H3*        T   8   5.121   4.520  -9.614
  224   1H2*    T   8          1H2*        T   8   5.850   4.825 -11.772
  225   2H2*    T   8          2H2*        T   8   4.237   5.520 -12.076
  226    H1*    T   8           H1*        T   8   5.020   7.667 -12.047
  227    H3     T   8           H3         T   8   7.863   8.279 -15.412
  228   1H5M    T   8          1H5M        T   8  11.017   5.374 -13.693
  229   2H5M    T   8          2H5M        T   8   9.946   4.212 -12.873
  230   3H5M    T   8          3H5M        T   8  10.692   5.540 -11.951
  231    H6     T   8           H6         T   8   8.071   5.543 -11.468
  232   1H5*    A   9          1H5*        A   9   3.057   3.580  -7.694
  233   2H5*    A   9          2H5*        A   9   1.446   2.899  -7.403
  234    H4*    A   9           H4*        A   9   0.818   4.989  -6.188
  235    H3*    A   9           H3*        A   9   3.185   6.022  -7.372
  236    H1*    A   9           H1*        A   9   2.831   5.176  -3.522
  237    H8     A   9           H8         A   9   4.264   4.072  -1.852
  238   1H6     A   9          1H6         A   9   8.412   0.101  -4.050
  239   2H6     A   9          2H6         A   9   7.710   0.797  -2.602
  240    H2     A   9           H2         A   9   6.246   1.946  -7.549
  241   1H2*    A   9          1H2*        A   9   4.731   5.471  -5.782
  242   2H2*    A   9          2H2*        A   9   3.936   6.731  -4.791
  243   1H5*    A  10          1H5*        A  10  -0.200   8.082  -6.793
  244   2H5*    A  10          2H5*        A  10  -0.600   9.730  -7.273
  245    H4*    A  10           H4*        A  10  -2.117   9.329  -5.470
  246    H3*    A  10           H3*        A  10   0.096  11.087  -4.878
  247    H1*    A  10           H1*        A  10  -1.560   8.534  -2.345
  248    H8     A  10           H8         A  10   0.557   6.215  -3.714
  249   1H6     A  10          1H6         A  10   4.121   5.987   1.242
  250   2H6     A  10          2H6         A  10   3.650   5.198  -0.246
  251    H2     A  10           H2         A  10   1.641   9.750   1.485
  252   1H2*    A  10          1H2*        A  10   0.855  10.116  -2.955
  253   2H2*    A  10          2H2*        A  10  -0.692  10.621  -2.227
  254   1H5*    G  11          1H5*        G  11  -5.261  10.961  -5.485
  255   2H5*    G  11          2H5*        G  11  -4.282   9.767  -4.609
  256    H4*    G  11           H4*        G  11  -5.420   9.475  -7.418
  257    H3*    G  11           H3*        G  11  -6.537   8.893  -4.851
  258    H1*    G  11           H1*        G  11  -5.035   6.271  -7.327
  259    H8     G  11           H8         G  11  -3.222   4.549  -7.384
  260    H1     G  11           H1         G  11  -1.578   5.395  -1.286
  261   1H2     G  11          1H2         G  11  -3.800   8.097  -1.427
  262   2H2     G  11          2H2         G  11  -2.684   7.159  -0.459
  263   1H2*    G  11          1H2*        G  11  -5.569   6.895  -4.461
  264   2H2*    G  11          2H2*        G  11  -6.666   6.270  -5.732
  265   1H5*    G  12          1H5*        G  12  -6.913   6.315  -8.218
  266   2H5*    G  12          2H5*        G  12  -8.552   5.821  -8.693
  267    H4*    G  12           H4*        G  12  -7.037   3.933  -8.996
  268    H3*    G  12           H3*        G  12  -9.296   3.955  -7.216
  269    H1*    G  12           H1*        G  12  -5.959   1.973  -6.858
  270    H8     G  12           H8         G  12  -7.125   4.349  -4.004
  271    H1     G  12           H1         G  12  -2.077   0.708  -2.617
  272   1H2     G  12          1H2         G  12  -2.368  -0.377  -5.930
  273   2H2     G  12          2H2         G  12  -1.497  -0.503  -4.419
  274   1H2*    G  12          1H2*        G  12  -8.367   2.993  -5.419
  275   2H2*    G  12          2H2*        G  12  -8.152   1.530  -6.428
  276    HO3    G  12           HO3        G  12  -8.984   2.940  -9.344
  Start of MODEL    7
    1   1H5*    A   1          1H5*        A   1  11.523   7.471   0.979
    2   2H5*    A   1          2H5*        A   1  12.842   8.506   1.555
    3    H4*    A   1           H4*        A   1  11.544   9.048   3.593
    4    H3*    A   1           H3*        A   1   9.962   6.794   2.778
    5    H1*    A   1           H1*        A   1   8.697  10.578   2.644
    6    H8     A   1           H8         A   1   6.795  11.193   1.095
    7   1H6     A   1          1H6         A   1   7.639   9.471  -4.742
    8   2H6     A   1          2H6         A   1   6.599  10.339  -3.634
    9    H2     A   1           H2         A   1  10.978   7.733  -2.286
   10    H5T    A   1           H5T        A   1  12.945   7.116   3.413
   11   1H2*    A   1          1H2*        A   1   8.230   7.817   1.758
   12   2H2*    A   1          2H2*        A   1   7.853   8.594   3.319
   13   1H5*    A   2          1H5*        A   2   8.009   9.915   5.450
   14   2H5*    A   2          2H5*        A   2   7.173   9.132   6.795
   15    H4*    A   2           H4*        A   2   5.789  10.920   5.800
   16    H3*    A   2           H3*        A   2   4.893   8.179   6.084
   17    H1*    A   2           H1*        A   2   3.977  10.626   3.159
   18    H8     A   2           H8         A   2   5.778   7.262   2.376
   19   1H6     A   2          1H6         A   2   4.480   8.529  -3.511
   20   2H6     A   2          2H6         A   2   5.207   7.369  -2.422
   21    H2     A   2           H2         A   2   3.072  11.977  -0.990
   22   1H2*    A   2          1H2*        A   2   4.258   7.775   3.977
   23   2H2*    A   2          2H2*        A   2   2.934   8.931   4.290
   24   1H5*    G   3          1H5*        G   3   1.258   8.143   5.839
   25   2H5*    G   3          2H5*        G   3   1.683   9.873   5.797
   26    H4*    G   3           H4*        G   3  -0.465  10.441   6.826
   27    H3*    G   3           H3*        G   3  -0.445   7.805   7.715
   28    H1*    G   3           H1*        G   3  -2.870   9.025   4.837
   29    H8     G   3           H8         G   3  -3.150   8.736   2.309
   30    H1     G   3           H1         G   3   1.141   4.029   2.007
   31   1H2     G   3          1H2         G   3   1.734   4.801   5.370
   32   2H2     G   3          2H2         G   3   2.140   3.792   4.000
   33   1H2*    G   3          1H2*        G   3  -1.238   6.732   5.842
   34   2H2*    G   3          2H2*        G   3  -2.829   7.337   6.403
   35   1H5*    G   4          1H5*        G   4  -4.357   9.792   6.693
   36   2H5*    G   4          2H5*        G   4  -5.739   9.309   7.695
   37    H4*    G   4           H4*        G   4  -6.293   9.318   5.285
   38    H3*    G   4           H3*        G   4  -6.421   6.907   7.007
   39    H1*    G   4           H1*        G   4  -6.005   7.352   3.130
   40    H8     G   4           H8         G   4  -3.812   5.179   5.466
   41    H1     G   4           H1         G   4  -3.595   3.586  -0.693
   42   1H2     G   4          1H2         G   4  -5.852   6.237  -1.103
   43   2H2     G   4          2H2         G   4  -4.969   4.929  -1.864
   44   1H2*    G   4          1H2*        G   4  -6.326   5.413   5.328
   45   2H2*    G   4          2H2*        G   4  -7.569   6.317   4.412
   46   1H5*    T   5          1H5*        T   5 -10.202   7.822   4.440
   47   2H5*    T   5          2H5*        T   5 -11.617   6.902   4.993
   48    H4*    T   5           H4*        T   5 -11.073   6.736   2.518
   49    H3*    T   5           H3*        T   5 -11.812   4.660   4.395
   50   1H2*    T   5          1H2*        T   5 -10.207   3.136   3.785
   51   2H2*    T   5          2H2*        T   5 -11.064   3.040   2.221
   52    H1*    T   5           H1*        T   5  -9.580   4.536   1.189
   53    H3     T   5           H3         T   5  -5.874   2.186   0.589
   54   1H5M    T   5          1H5M        T   5  -5.859   3.124   5.759
   55   2H5M    T   5          2H5M        T   5  -5.124   1.632   5.123
   56   3H5M    T   5          3H5M        T   5  -6.805   1.617   5.709
   57    H6     T   5           H6         T   5  -8.224   3.593   4.540
   58   1H5*    T   6          1H5*        T   6 -16.115   5.845   0.203
   59   2H5*    T   6          2H5*        T   6 -15.690   4.580   1.366
   60    H4*    T   6           H4*        T   6 -15.513   3.912  -1.087
   61    H3*    T   6           H3*        T   6 -13.757   3.288   1.054
   62   1H2*    T   6          1H2*        T   6 -11.794   4.170   0.292
   63   2H2*    T   6          2H2*        T   6 -11.835   2.869  -0.924
   64    H1*    T   6           H1*        T   6 -12.490   4.319  -2.599
   65    H3     T   6           H3         T   6  -9.378   7.401  -3.313
   66   1H5M    T   6          1H5M        T   6 -12.016   9.017   1.013
   67   2H5M    T   6          2H5M        T   6 -10.508   9.798   0.480
   68   3H5M    T   6          3H5M        T   6 -10.447   8.417   1.601
   69    H6     T   6           H6         T   6 -12.371   6.617   0.368
   70   1H5*    T   7          1H5*        T   7 -12.981   0.677  -2.036
   71   2H5*    T   7          2H5*        T   7 -13.718  -0.933  -2.124
   72    H4*    T   7           H4*        T   7 -11.292  -0.798  -2.939
   73    H3*    T   7           H3*        T   7 -12.629  -2.793  -1.450
   74   1H2*    T   7          1H2*        T   7 -11.453  -2.584   0.540
   75   2H2*    T   7          2H2*        T   7 -10.219  -3.527  -0.350
   76    H1*    T   7           H1*        T   7  -8.955  -1.649  -0.827
   77    H3     T   7           H3         T   7  -7.165  -1.167   3.245
   78   1H5M    T   7          1H5M        T   7 -12.148  -0.182   4.199
   79   2H5M    T   7          2H5M        T   7 -11.810   1.407   3.472
   80   3H5M    T   7          3H5M        T   7 -10.945   0.896   4.940
   81    H6     T   7           H6         T   7 -11.511  -0.188   1.420
   82   1H5*    T   8          1H5*        T   8  -9.375  -4.371  -3.185
   83   2H5*    T   8          2H5*        T   8  -8.270  -3.486  -4.259
   84    H4*    T   8           H4*        T   8  -7.805  -5.921  -4.124
   85    H3*    T   8           H3*        T   8  -7.855  -4.253  -6.369
   86   1H2*    T   8          1H2*        T   8  -9.641  -5.150  -7.525
   87   2H2*    T   8          2H2*        T   8  -8.475  -6.437  -7.942
   88    H1*    T   8           H1*        T   8  -9.342  -7.901  -6.384
   89    H3     T   8           H3         T   8 -13.339  -9.083  -7.973
   90   1H5M    T   8          1H5M        T   8 -13.780  -3.897  -7.562
   91   2H5M    T   8          2H5M        T   8 -14.202  -4.340  -5.890
   92   3H5M    T   8          3H5M        T   8 -15.203  -4.920  -7.243
   93    H6     T   8           H6         T   8 -11.635  -4.934  -6.246
   94   1H5*    A   9          1H5*        A   9  -6.273  -3.394  -5.357
   95   2H5*    A   9          2H5*        A   9  -4.876  -2.531  -6.028
   96    H4*    A   9           H4*        A   9  -3.563  -3.384  -3.992
   97    H3*    A   9           H3*        A   9  -6.084  -4.665  -3.436
   98    H1*    A   9           H1*        A   9  -4.406  -1.702  -1.530
   99    H8     A   9           H8         A   9  -5.444   0.049  -0.060
  100   1H6     A   9          1H6         A   9 -10.055   3.149  -2.728
  101   2H6     A   9          2H6         A   9  -8.950   3.109  -1.369
  102    H2     A   9           H2         A   9  -8.984  -0.352  -5.363
  103   1H2*    A   9          1H2*        A   9  -7.026  -3.019  -2.182
  104   2H2*    A   9          2H2*        A   9  -5.814  -3.466  -0.946
  105   1H5*    A  10          2H5*        A  10  -2.419  -5.501  -2.227
  106   2H5*    A  10          1H5*        A  10  -1.877  -7.158  -1.979
  107    H4*    A  10           H4*        A  10  -0.104  -5.772  -1.223
  108    H3*    A  10           H3*        A  10  -1.436  -7.341   0.770
  109    H1*    A  10           H1*        A  10   0.209  -3.856   1.220
  110    H8     A  10           H8         A  10  -2.690  -2.348   0.070
  111   1H6     A  10          1H6         A  10  -3.754   0.553   3.801
  112   2H6     A  10          2H6         A  10  -3.289   0.535   5.486
  113    H2     A  10           H2         A  10  -0.569  -3.039   6.019
  114   1H2*    A  10          1H2*        A  10  -2.048  -5.570   2.163
  115   2H2*    A  10          2H2*        A  10  -0.318  -5.601   2.613
  116   1H5*    G  11          1H5*        G  11   1.520  -5.635  -1.820
  117   2H5*    G  11          2H5*        G  11   0.547  -6.998  -2.420
  118    H4*    G  11           H4*        G  11   2.496  -7.656  -3.847
  119    H3*    G  11           H3*        G  11   3.931  -5.928  -2.238
  120    H1*    G  11           H1*        G  11   2.372  -4.376  -5.639
  121    H8     G  11           H8         G  11   0.158  -3.176  -5.921
  122    H1     G  11           H1         G  11   0.069  -1.207   0.146
  123   1H2     G  11          1H2         G  11   2.738  -3.445   0.552
  124   2H2     G  11          2H2         G  11   1.686  -2.266   1.305
  125   1H2*    G  11          1H2*        G  11   3.324  -3.865  -2.929
  126   2H2*    G  11          2H2*        G  11   4.258  -4.202  -4.418
  127   1H5*    G  12          1H5*        G  12   3.887  -5.752  -6.412
  128   2H5*    G  12          2H5*        G  12   5.405  -5.761  -7.332
  129    H4*    G  12           H4*        G  12   3.767  -4.263  -8.386
  130    H3*    G  12           H3*        G  12   6.394  -3.539  -7.516
  131    H1*    G  12           H1*        G  12   3.222  -1.258  -7.578
  132    H8     G  12           H8         G  12   5.152  -1.774  -4.231
  133    H1     G  12           H1         G  12   0.410   2.484  -4.003
  134   1H2     G  12          1H2         G  12  -0.132   1.559  -7.341
  135   2H2     G  12          2H2         G  12  -0.611   2.586  -6.007
  136   1H2*    G  12          1H2*        G  12   5.924  -1.655  -6.380
  137   2H2*    G  12          2H2*        G  12   5.449  -0.954  -7.956
  138    HO3    G  12           HO3        G  12   4.728  -2.530  -9.600
  139   1H5*    A   1          1H5*        A   1 -11.475  -0.857   6.282
  140   2H5*    A   1          2H5*        A   1 -12.536  -1.402   7.592
  141    H4*    A   1           H4*        A   1 -10.736  -0.987   9.241
  142    H3*    A   1           H3*        A   1  -9.560   0.494   7.080
  143    H1*    A   1           H1*        A   1  -8.125  -2.966   8.459
  144    H8     A   1           H8         A   1  -6.638  -4.371   6.973
  145   1H6     A   1          1H6         A   1  -9.031  -5.601   1.450
  146   2H6     A   1          2H6         A   1  -7.693  -5.897   2.536
  147    H2     A   1           H2         A   1 -11.751  -2.684   3.523
  148    H5T    A   1           H5T        A   1 -12.313   0.696   8.510
  149   1H2*    A   1          1H2*        A   1  -8.076  -1.003   6.276
  150   2H2*    A   1          2H2*        A   1  -7.270  -0.961   7.866
  151   1H5*    A   2          1H5*        A   2  -6.798  -1.088  10.330
  152   2H5*    A   2          2H5*        A   2  -5.704   0.187  10.878
  153    H4*    A   2           H4*        A   2  -4.501  -1.946  10.548
  154    H3*    A   2           H3*        A   2  -3.743   0.531   9.250
  155    H1*    A   2           H1*        A   2  -3.435  -3.071   7.729
  156    H8     A   2           H8         A   2  -5.589  -0.382   5.914
  157   1H6     A   2          1H6         A   2  -5.733  -4.393   1.241
  158   2H6     A   2          2H6         A   2  -6.237  -2.808   1.784
  159    H2     A   2           H2         A   2  -3.515  -6.298   4.658
  160   1H2*    A   2          1H2*        A   2  -3.685  -0.164   7.125
  161   2H2*    A   2          2H2*        A   2  -2.253  -1.114   7.608
  162   1H5*    G   3          1H5*        G   3  -0.297   0.208   8.114
  163   2H5*    G   3          2H5*        G   3  -0.605  -1.298   9.013
  164    H4*    G   3           H4*        G   3   1.764  -1.444   9.611
  165    H3*    G   3           H3*        G   3   1.797   1.291   9.102
  166    H1*    G   3           H1*        G   3   3.495  -1.313   6.656
  167    H8     G   3           H8         G   3   3.112  -2.288   4.320
  168    H1     G   3           H1         G   3  -1.415   1.970   2.891
  169   1H2     G   3          1H2         G   3  -1.091   2.942   6.239
  170   2H2     G   3          2H2         G   3  -1.894   3.197   4.706
  171   1H2*    G   3          1H2*        G   3   2.022   1.282   6.814
  172   2H2*    G   3          2H2*        G   3   3.740   0.916   7.176
  173   1H5*    G   4          1H5*        G   4   5.448  -1.193   8.211
  174   2H5*    G   4          2H5*        G   4   7.003  -0.380   8.476
  175    H4*    G   4           H4*        G   4   6.933  -1.578   6.313
  176    H3*    G   4           H3*        G   4   7.331   1.349   6.576
  177    H1*    G   4           H1*        G   4   5.984  -0.870   3.632
  178    H8     G   4           H8         G   4   4.313   2.295   5.107
  179    H1     G   4           H1         G   4   2.451   0.756  -0.782
  180   1H2     G   4          1H2         G   4   4.700  -1.909  -0.426
  181   2H2     G   4          2H2         G   4   3.573  -1.070  -1.469
  182   1H2*    G   4          1H2*        G   4   6.721   1.859   4.472
  183   2H2*    G   4          2H2*        G   4   7.749   0.548   3.822
  184   1H5*    T   5          1H5*        T   5  10.397  -0.928   3.905
  185   2H5*    T   5          2H5*        T   5  11.843   0.048   3.574
  186    H4*    T   5           H4*        T   5  10.685  -0.955   1.549
  187    H3*    T   5           H3*        T   5  11.734   1.713   1.948
  188   1H2*    T   5          1H2*        T   5   9.932   2.861   1.109
  189   2H2*    T   5          2H2*        T   5  10.360   2.141  -0.468
  190    H1*    T   5           H1*        T   5   8.766   0.434  -0.247
  191    H3     T   5           H3         T   5   4.882   2.447  -0.946
  192   1H5M    T   5          1H5M        T   5   6.243   4.102   3.856
  193   2H5M    T   5          2H5M        T   5   5.256   5.140   2.800
  194   3H5M    T   5          3H5M        T   5   7.023   5.343   2.846
  195    H6     T   5           H6         T   5   8.236   2.953   2.461
  196   1H5*    T   6          1H5*        T   6  14.914  -1.611  -2.092
  197   2H5*    T   6          2H5*        T   6  14.714   0.081  -1.612
  198    H4*    T   6           H4*        T   6  13.883  -0.496  -3.951
  199    H3*    T   6           H3*        T   6  12.684   1.189  -2.008
  200   1H2*    T   6          1H2*        T   6  10.655   0.181  -1.733
  201   2H2*    T   6          2H2*        T   6  10.304   0.735  -3.388
  202    H1*    T   6           H1*        T   6  10.611  -1.379  -4.269
  203    H3     T   6           H3         T   6   7.626  -4.216  -2.613
  204   1H5M    T   6          1H5M        T   6  11.364  -3.762   1.132
  205   2H5M    T   6          2H5M        T   6   9.804  -4.559   1.450
  206   3H5M    T   6          3H5M        T   6   9.984  -2.812   1.733
  207    H6     T   6           H6         T   6  11.391  -1.964  -0.645
  208   1H5*    T   7          1H5*        T   7  10.988   2.048  -5.662
  209   2H5*    T   7          2H5*        T   7  11.573   3.367  -6.691
  210    H4*    T   7           H4*        T   7   9.035   3.018  -6.703
  211    H3*    T   7           H3*        T   7  10.568   5.390  -6.741
  212   1H2*    T   7          1H2*        T   7   9.948   6.236  -4.670
  213   2H2*    T   7          2H2*        T   7   8.471   6.716  -5.561
  214    H1*    T   7           H1*        T   7   7.253   4.927  -4.747
  215    H3     T   7           H3         T   7   6.579   6.570  -0.640
  216   1H5M    T   7          1H5M        T   7  11.696   5.837  -0.617
  217   2H5M    T   7          2H5M        T   7  11.289   4.120  -0.384
  218   3H5M    T   7          3H5M        T   7  10.790   5.326   0.824
  219    H6     T   7           H6         T   7  10.381   4.555  -2.798
  220   1H5*    T   8          1H5*        T   8   6.887   6.154  -8.139
  221   2H5*    T   8          2H5*        T   8   5.610   4.938  -8.341
  222    H4*    T   8           H4*        T   8   5.035   7.164  -9.276
  223    H3*    T   8           H3*        T   8   4.628   4.626 -10.380
  224   1H2*    T   8          1H2*        T   8   6.004   4.742 -12.230
  225   2H2*    T   8          2H2*        T   8   4.689   5.746 -12.904
  226    H1*    T   8           H1*        T   8   5.823   7.717 -12.511
  227    H3     T   8           H3         T   8   9.206   7.729 -15.418
  228   1H5M    T   8          1H5M        T   8  10.061   3.363 -12.660
  229   2H5M    T   8          2H5M        T   8  10.905   4.540 -11.626
  230   3H5M    T   8          3H5M        T   8  11.441   4.284 -13.304
  231    H6     T   8           H6         T   8   8.265   5.035 -11.551
  232   1H5*    A   9          1H5*        A   9   3.411   4.463  -8.719
  233   2H5*    A   9          2H5*        A   9   1.950   3.476  -8.520
  234    H4*    A   9           H4*        A   9   1.137   5.283  -6.884
  235    H3*    A   9           H3*        A   9   3.628   6.506  -7.663
  236    H1*    A   9           H1*        A   9   2.680   4.934  -4.219
  237    H8     A   9           H8         A   9   4.166   4.035  -2.407
  238   1H6     A   9          1H6         A   9   8.150  -0.258  -4.326
  239   2H6     A   9          2H6         A   9   7.421   0.500  -2.924
  240    H2     A   9           H2         A   9   6.225   1.617  -7.950
  241   1H2*    A   9          1H2*        A   9   4.960   5.603  -6.058
  242   2H2*    A   9          2H2*        A   9   4.070   6.666  -4.927
  243   1H5*    A  10          2H5*        A  10   0.337   8.056  -6.126
  244   2H5*    A  10          1H5*        A  10  -0.232   9.661  -6.574
  245    H4*    A  10           H4*        A  10  -1.664   8.925  -4.830
  246    H3*    A  10           H3*        A  10   0.022  11.166  -4.238
  247    H1*    A  10           H1*        A  10  -1.227   8.437  -1.778
  248    H8     A  10           H8         A  10   1.382   6.376  -2.753
  249   1H6     A  10          1H6         A  10   3.536   5.553   1.508
  250   2H6     A  10          2H6         A  10   3.510   6.405   3.034
  251    H2     A  10           H2         A  10   0.784   9.967   2.455
  252   1H2*    A  10          1H2*        A  10   1.078  10.242  -2.372
  253   2H2*    A  10          2H2*        A  10  -0.481  10.597  -1.574
  254   1H5*    G  11          1H5*        G  11  -3.373   8.625  -4.858
  255   2H5*    G  11          2H5*        G  11  -2.673   9.469  -6.259
  256    H4*    G  11           H4*        G  11  -4.957   9.489  -7.285
  257    H3*    G  11           H3*        G  11  -5.825   8.840  -4.743
  258    H1*    G  11           H1*        G  11  -5.073   5.752  -7.255
  259    H8     G  11           H8         G  11  -2.928   4.420  -7.474
  260    H1     G  11           H1         G  11  -1.190   5.595  -1.450
  261   1H2     G  11          1H2         G  11  -3.810   7.922  -1.508
  262   2H2     G  11          2H2         G  11  -2.529   7.182  -0.575
  263   1H2*    G  11          1H2*        G  11  -5.278   6.663  -4.491
  264   2H2*    G  11          2H2*        G  11  -6.576   6.307  -5.670
  265   1H5*    G  12          1H5*        G  12  -6.819   6.685  -8.182
  266   2H5*    G  12          2H5*        G  12  -8.517   6.353  -8.579
  267    H4*    G  12           H4*        G  12  -7.103   4.430  -9.161
  268    H3*    G  12           H3*        G  12  -9.374   4.384  -7.424
  269    H1*    G  12           H1*        G  12  -6.178   2.149  -7.180
  270    H8     G  12           H8         G  12  -7.235   4.328  -4.127
  271    H1     G  12           H1         G  12  -2.319   0.399  -3.088
  272   1H2     G  12          1H2         G  12  -2.696  -0.424  -6.474
  273   2H2     G  12          2H2         G  12  -1.830  -0.716  -4.983
  274   1H2*    G  12          1H2*        G  12  -8.512   3.248  -5.684
  275   2H2*    G  12          2H2*        G  12  -8.403   1.848  -6.793
  276    HO3    G  12           HO3        G  12  -8.222   2.397  -9.114
  Start of MODEL    8
    1   1H5*    A   1          1H5*        A   1  12.990   9.215   0.028
    2   2H5*    A   1          2H5*        A   1  12.911   7.857   1.164
    3    H4*    A   1           H4*        A   1  12.034   9.835   2.296
    4    H3*    A   1           H3*        A   1  10.510   7.478   1.899
    5    H1*    A   1           H1*        A   1   8.967  11.122   1.638
    6    H8     A   1           H8         A   1   6.808  11.423   0.290
    7   1H6     A   1          1H6         A   1   6.362  10.672  -4.459
    8   2H6     A   1          2H6         A   1   7.431   9.997  -5.669
    9    H2     A   1           H2         A   1  11.197   8.784  -3.526
   10    H5T    A   1           H5T        A   1  11.125   8.437  -0.961
   11   1H2*    A   1          1H2*        A   1   8.699   8.302   0.798
   12   2H2*    A   1          2H2*        A   1   8.278   9.086   2.344
   13   1H5*    A   2          1H5*        A   2   8.458  10.459   4.555
   14   2H5*    A   2          2H5*        A   2   7.779   9.720   6.011
   15    H4*    A   2           H4*        A   2   6.153  11.232   4.954
   16    H3*    A   2           H3*        A   2   5.620   8.401   5.419
   17    H1*    A   2           H1*        A   2   4.293  10.601   2.424
   18    H8     A   2           H8         A   2   6.330   7.323   1.880
   19   1H6     A   2          1H6         A   2   5.732   7.026  -2.900
   20   2H6     A   2          2H6         A   2   4.919   8.043  -4.067
   21    H2     A   2           H2         A   2   3.223  11.535  -1.805
   22   1H2*    A   2          1H2*        A   2   4.723   7.850   3.449
   23   2H2*    A   2          2H2*        A   2   3.416   9.010   3.802
   24   1H5*    G   3          1H5*        G   3   1.605   8.486   5.485
   25   2H5*    G   3          2H5*        G   3   2.062  10.198   5.319
   26    H4*    G   3           H4*        G   3   0.048  10.861   6.557
   27    H3*    G   3           H3*        G   3   0.113   8.253   7.530
   28    H1*    G   3           H1*        G   3  -2.574   9.384   4.815
   29    H8     G   3           H8         G   3  -2.981   8.919   2.326
   30    H1     G   3           H1         G   3   1.209   4.127   2.208
   31   1H2     G   3          1H2         G   3   1.970   5.170   5.475
   32   2H2     G   3          2H2         G   3   2.297   4.035   4.189
   33   1H2*    G   3          1H2*        G   3  -0.937   7.124   5.850
   34   2H2*    G   3          2H2*        G   3  -2.434   7.847   6.516
   35   1H5*    G   4          1H5*        G   4  -3.698  10.369   6.735
   36   2H5*    G   4          2H5*        G   4  -5.045  10.091   7.855
   37    H4*    G   4           H4*        G   4  -5.751  10.010   5.471
   38    H3*    G   4           H3*        G   4  -6.048   7.772   7.394
   39    H1*    G   4           H1*        G   4  -5.848   7.844   3.471
   40    H8     G   4           H8         G   4  -3.719   5.716   5.879
   41    H1     G   4           H1         G   4  -3.978   3.423  -0.064
   42   1H2     G   4          1H2         G   4  -6.120   6.133  -0.670
   43   2H2     G   4          2H2         G   4  -5.335   4.710  -1.322
   44   1H2*    G   4          1H2*        G   4  -6.258   6.154   5.852
   45   2H2*    G   4          2H2*        G   4  -7.441   7.132   4.934
   46   1H5*    T   5          1H5*        T   5  -9.214   8.714   4.587
   47   2H5*    T   5          2H5*        T   5 -10.838   8.677   5.304
   48    H4*    T   5           H4*        T   5 -11.024   7.704   3.154
   49    H3*    T   5           H3*        T   5 -11.228   5.967   5.512
   50   1H2*    T   5          1H2*        T   5 -10.519   4.055   4.481
   51   2H2*    T   5          2H2*        T   5 -11.734   4.294   3.202
   52    H1*    T   5           H1*        T   5 -10.204   5.248   1.777
   53    H3     T   5           H3         T   5  -7.129   2.242   0.710
   54   1H5M    T   5          1H5M        T   5  -6.897   2.240   5.912
   55   2H5M    T   5          2H5M        T   5  -5.827   3.632   5.621
   56   3H5M    T   5          3H5M        T   5  -5.390   2.025   4.991
   57    H6     T   5           H6         T   5  -8.252   4.391   4.852
   58   1H5*    T   6          1H5*        T   6 -15.703   6.037   1.430
   59   2H5*    T   6          2H5*        T   6 -15.800   4.438   2.188
   60    H4*    T   6           H4*        T   6 -15.859   4.104  -0.207
   61    H3*    T   6           H3*        T   6 -13.782   3.084   1.467
   62   1H2*    T   6          2H2*        T   6 -11.980   3.908   0.398
   63   2H2*    T   6          1H2*        T   6 -12.335   2.697  -0.848
   64    H1*    T   6           H1*        T   6 -13.323   4.328  -2.257
   65    H3     T   6           H3         T   6  -9.407   6.253  -3.315
   66   1H5M    T   6          1H5M        T   6 -10.080   8.070   1.439
   67   2H5M    T   6          2H5M        T   6 -11.438   9.002   0.762
   68   3H5M    T   6          3H5M        T   6  -9.783   9.279   0.169
   69    H6     T   6           H6         T   6 -12.445   6.714   0.376
   70   1H5*    T   7          1H5*        T   7 -13.601   0.705  -1.649
   71   2H5*    T   7          2H5*        T   7 -14.165  -0.973  -1.716
   72    H4*    T   7           H4*        T   7 -11.800  -0.605  -2.576
   73    H3*    T   7           H3*        T   7 -12.915  -2.671  -1.024
   74   1H2*    T   7          1H2*        T   7 -11.736  -2.306   0.949
   75   2H2*    T   7          2H2*        T   7 -10.437  -3.173   0.070
   76    H1*    T   7           H1*        T   7  -9.336  -1.205  -0.452
   77    H3     T   7           H3         T   7  -7.598  -0.231   3.568
   78   1H5M    T   7          1H5M        T   7 -12.702   0.553   4.336
   79   2H5M    T   7          2H5M        T   7 -12.315   2.099   3.545
   80   3H5M    T   7          3H5M        T   7 -11.531   1.665   5.082
   81    H6     T   7           H6         T   7 -12.022   0.125   1.731
   82   1H5*    T   8          1H5*        T   8  -9.971  -4.933  -2.822
   83   2H5*    T   8          2H5*        T   8  -9.039  -3.594  -3.516
   84    H4*    T   8           H4*        T   8  -7.963  -5.719  -4.009
   85    H3*    T   8           H3*        T   8  -8.636  -3.758  -5.901
   86   1H2*    T   8          1H2*        T   8 -10.104  -4.923  -7.244
   87   2H2*    T   8          2H2*        T   8  -8.642  -5.765  -7.822
   88    H1*    T   8           H1*        T   8  -9.068  -7.637  -6.566
   89    H3     T   8           H3         T   8 -12.736  -9.562  -8.189
   90   1H5M    T   8          1H5M        T   8 -14.652  -5.522  -5.469
   91   2H5M    T   8          2H5M        T   8 -15.501  -6.080  -6.931
   92   3H5M    T   8          3H5M        T   8 -14.359  -4.717  -7.029
   93    H6     T   8           H6         T   8 -12.009  -5.377  -5.941
   94   1H5*    A   9          1H5*        A   9  -6.547  -2.342  -5.468
   95   2H5*    A   9          2H5*        A   9  -5.128  -1.461  -6.066
   96    H4*    A   9           H4*        A   9  -3.754  -2.706  -4.329
   97    H3*    A   9           H3*        A   9  -6.185  -4.135  -3.934
   98    H1*    A   9           H1*        A   9  -4.706  -1.447  -1.433
   99    H8     A   9           H8         A   9  -5.707   0.338  -0.059
  100   1H6     A   9          1H6         A   9 -10.705   3.026  -2.409
  101   2H6     A   9          2H6         A   9  -9.512   3.078  -1.128
  102    H2     A   9           H2         A   9  -9.628  -0.460  -5.050
  103   1H2*    A   9          1H2*        A   9  -7.188  -2.795  -2.365
  104   2H2*    A   9          2H2*        A   9  -5.920  -3.403  -1.262
  105   1H5*    A  10          1H5*        A  10  -2.195  -5.349  -3.015
  106   2H5*    A  10          2H5*        A  10  -1.824  -7.064  -2.873
  107    H4*    A  10           H4*        A  10   0.004  -6.021  -1.717
  108    H3*    A  10           H3*        A  10  -1.971  -7.286  -0.004
  109    H1*    A  10           H1*        A  10   0.179  -4.053   0.800
  110    H8     A  10           H8         A  10  -2.565  -2.447  -0.676
  111   1H6     A  10          1H6         A  10  -4.374   0.210   2.968
  112   2H6     A  10          2H6         A  10  -4.139   0.149   4.700
  113    H2     A  10           H2         A  10  -1.315  -3.232   5.538
  114   1H2*    A  10          1H2*        A  10  -2.229  -5.616   1.527
  115   2H2*    A  10          2H2*        A  10  -0.521  -5.886   1.965
  116   1H5*    G  11          1H5*        G  11   3.112  -8.003  -1.737
  117   2H5*    G  11          2H5*        G  11   2.382  -6.459  -1.250
  118    H4*    G  11           H4*        G  11   2.900  -7.415  -4.096
  119    H3*    G  11           H3*        G  11   4.544  -5.981  -2.252
  120    H1*    G  11           H1*        G  11   2.578  -4.411  -5.240
  121    H8     G  11           H8         G  11   0.680  -2.818  -5.623
  122    H1     G  11           H1         G  11   0.660  -0.755   0.406
  123   1H2     G  11          1H2         G  11   2.977  -3.348   0.929
  124   2H2     G  11          2H2         G  11   2.064  -2.037   1.637
  125   1H2*    G  11          1H2*        G  11   3.682  -3.911  -2.510
  126   2H2*    G  11          2H2*        G  11   4.505  -3.922  -4.100
  127   1H5*    G  12          1H5*        G  12   3.857  -5.247  -6.596
  128   2H5*    G  12          2H5*        G  12   5.386  -5.289  -7.497
  129    H4*    G  12           H4*        G  12   3.822  -3.741  -8.583
  130    H3*    G  12           H3*        G  12   6.435  -3.124  -7.715
  131    H1*    G  12           H1*        G  12   3.398  -0.662  -7.557
  132    H8     G  12           H8         G  12   5.260  -1.568  -4.267
  133    H1     G  12           H1         G  12   0.389   2.487  -3.514
  134   1H2     G  12          1H2         G  12  -0.120   1.998  -6.952
  135   2H2     G  12          2H2         G  12  -0.654   2.798  -5.492
  136   1H2*    G  12          1H2*        G  12   6.016  -1.396  -6.322
  137   2H2*    G  12          2H2*        G  12   5.653  -0.478  -7.816
  138    HO3    G  12           HO3        G  12   4.699  -1.936  -9.637
  139   1H5*    A   1          1H5*        A   1 -13.018  -2.748   6.679
  140   2H5*    A   1          2H5*        A   1 -12.746  -1.021   6.966
  141    H4*    A   1           H4*        A   1 -11.486  -2.269   8.645
  142    H3*    A   1           H3*        A   1 -10.267  -0.493   6.800
  143    H1*    A   1           H1*        A   1  -8.604  -3.910   7.937
  144    H8     A   1           H8         A   1  -6.838  -4.958   6.404
  145   1H6     A   1          1H6         A   1  -7.648  -6.602   1.936
  146   2H6     A   1          2H6         A   1  -9.028  -6.520   0.864
  147    H2     A   1           H2         A   1 -12.207  -4.187   3.032
  148    H5T    A   1           H5T        A   1 -11.518  -2.661   5.006
  149   1H2*    A   1          1H2*        A   1  -8.741  -1.860   5.813
  150   2H2*    A   1          2H2*        A   1  -7.895  -1.834   7.384
  151   1H5*    A   2          1H5*        A   2  -7.425  -1.967   9.947
  152   2H5*    A   2          2H5*        A   2  -6.451  -0.668  10.648
  153    H4*    A   2           H4*        A   2  -5.047  -2.603  10.074
  154    H3*    A   2           H3*        A   2  -4.601   0.062   8.977
  155    H1*    A   2           H1*        A   2  -3.927  -3.383   7.176
  156    H8     A   2           H8         A   2  -6.244  -0.638   5.661
  157   1H6     A   2          1H6         A   2  -6.887  -2.703   1.346
  158   2H6     A   2          2H6         A   2  -6.327  -4.206   0.646
  159    H2     A   2           H2         A   2  -3.895  -6.292   3.795
  160   1H2*    A   2          1H2*        A   2  -4.265  -0.454   6.830
  161   2H2*    A   2          2H2*        A   2  -2.838  -1.388   7.353
  162   1H5*    G   3          1H5*        G   3  -0.702  -0.241   8.066
  163   2H5*    G   3          2H5*        G   3  -1.072  -1.790   8.860
  164    H4*    G   3           H4*        G   3   1.227  -1.910   9.713
  165    H3*    G   3           H3*        G   3   1.238   0.844   9.301
  166    H1*    G   3           H1*        G   3   3.226  -1.619   6.883
  167    H8     G   3           H8         G   3   2.964  -2.431   4.463
  168    H1     G   3           H1         G   3  -1.425   1.983   3.124
  169   1H2     G   3          1H2         G   3  -1.273   2.681   6.562
  170   2H2     G   3          2H2         G   3  -1.985   3.082   5.020
  171   1H2*    G   3          1H2*        G   3   1.757   0.961   7.083
  172   2H2*    G   3          2H2*        G   3   3.417   0.547   7.613
  173   1H5*    G   4          1H5*        G   4   4.858  -1.638   8.686
  174   2H5*    G   4          2H5*        G   4   6.421  -0.947   9.159
  175    H4*    G   4           H4*        G   4   6.499  -2.061   6.937
  176    H3*    G   4           H3*        G   4   7.123   0.798   7.411
  177    H1*    G   4           H1*        G   4   5.950  -1.128   4.192
  178    H8     G   4           H8         G   4   4.360   2.026   5.736
  179    H1     G   4           H1         G   4   2.969   1.174  -0.427
  180   1H2     G   4          1H2         G   4   5.062  -1.628  -0.178
  181   2H2     G   4          2H2         G   4   4.047  -0.642  -1.211
  182   1H2*    G   4          1H2*        G   4   6.833   1.464   5.287
  183   2H2*    G   4          2H2*        G   4   7.809   0.091   4.684
  184   1H5*    T   5          1H5*        T   5   9.538  -1.574   4.703
  185   2H5*    T   5          2H5*        T   5  11.284  -1.306   4.882
  186    H4*    T   5           H4*        T   5  10.861  -1.495   2.560
  187    H3*    T   5           H3*        T   5  11.537   1.142   3.662
  188   1H2*    T   5          1H2*        T   5  10.468   2.369   2.059
  189   2H2*    T   5          2H2*        T   5  11.335   1.468   0.791
  190    H1*    T   5           H1*        T   5   9.563   0.051   0.432
  191    H3     T   5           H3         T   5   6.129   2.373  -1.131
  192   1H5M    T   5          1H5M        T   5   6.216   3.593   3.998
  193   2H5M    T   5          2H5M        T   5   5.497   4.708   2.813
  194   3H5M    T   5          3H5M        T   5   7.202   4.893   3.288
  195    H6     T   5           H6         T   5   8.394   2.399   3.100
  196   1H5*    T   6          1H5*        T   6  14.838  -1.165  -0.863
  197   2H5*    T   6          2H5*        T   6  15.017   0.593  -1.014
  198    H4*    T   6           H4*        T   6  14.452  -0.264  -3.204
  199    H3*    T   6           H3*        T   6  12.799   1.566  -1.761
  200   1H2*    T   6          2H2*        T   6  10.844   0.450  -1.815
  201   2H2*    T   6          1H2*        T   6  10.796   0.891  -3.532
  202    H1*    T   6           H1*        T   6  11.502  -1.276  -4.186
  203    H3     T   6           H3         T   6   7.580  -3.212  -3.171
  204   1H5M    T   6          1H5M        T   6  10.739  -3.819   1.059
  205   2H5M    T   6          2H5M        T   6   9.003  -4.208   1.117
  206   3H5M    T   6          3H5M        T   6   9.559  -2.570   1.528
  207    H6     T   6           H6         T   6  11.471  -2.049  -0.608
  208   1H5*    T   7          1H5*        T   7  11.687   2.169  -5.476
  209   2H5*    T   7          2H5*        T   7  12.106   3.571  -6.477
  210    H4*    T   7           H4*        T   7   9.630   2.991  -6.431
  211    H3*    T   7           H3*        T   7  10.962   5.470  -6.392
  212   1H2*    T   7          1H2*        T   7  10.342   6.171  -4.262
  213   2H2*    T   7          2H2*        T   7   8.811   6.595  -5.090
  214    H1*    T   7           H1*        T   7   7.743   4.693  -4.312
  215    H3     T   7           H3         T   7   7.138   5.875  -0.027
  216   1H5M    T   7          1H5M        T   7  12.312   5.222  -0.290
  217   2H5M    T   7          2H5M        T   7  11.837   3.516  -0.113
  218   3H5M    T   7          3H5M        T   7  11.441   4.687   1.167
  219    H6     T   7           H6         T   7  10.974   4.397  -2.513
  220   1H5*    T   8          1H5*        T   8   7.519   6.783  -8.250
  221   2H5*    T   8          2H5*        T   8   6.533   5.339  -7.958
  222    H4*    T   8           H4*        T   8   5.231   7.034  -9.120
  223    H3*    T   8           H3*        T   8   5.534   4.368  -9.944
  224   1H2*    T   8          1H2*        T   8   6.539   4.651 -11.999
  225   2H2*    T   8          2H2*        T   8   4.926   5.207 -12.522
  226    H1*    T   8           H1*        T   8   5.531   7.419 -12.467
  227    H3     T   8           H3         T   8   8.541   8.090 -15.673
  228   1H5M    T   8          1H5M        T   8  11.327   5.716 -11.925
  229   2H5M    T   8          2H5M        T   8  11.760   5.476 -13.635
  230   3H5M    T   8          3H5M        T   8  10.720   4.294 -12.805
  231    H6     T   8           H6         T   8   8.676   5.547 -11.598
  232   1H5*    A   9          1H5*        A   9   3.717   3.472  -8.377
  233   2H5*    A   9          2H5*        A   9   2.255   2.506  -8.103
  234    H4*    A   9           H4*        A   9   1.282   4.517  -6.891
  235    H3*    A   9           H3*        A   9   3.636   5.799  -7.852
  236    H1*    A   9           H1*        A   9   3.010   4.738  -4.091
  237    H8     A   9           H8         A   9   4.438   3.766  -2.331
  238   1H6     A   9          1H6         A   9   8.851  -0.038  -4.279
  239   2H6     A   9          2H6         A   9   8.024   0.608  -2.876
  240    H2     A   9           H2         A   9   6.921   1.822  -7.898
  241   1H2*    A   9          1H2*        A   9   5.086   5.310  -6.143
  242   2H2*    A   9          2H2*        A   9   4.099   6.452  -5.187
  243   1H5*    A  10          1H5*        A  10  -0.066   7.561  -6.660
  244   2H5*    A  10          2H5*        A  10  -0.500   9.157  -7.266
  245    H4*    A  10           H4*        A  10  -1.908   8.915  -5.336
  246    H3*    A  10           H3*        A  10   0.347  10.712  -4.995
  247    H1*    A  10           H1*        A  10  -1.316   8.406  -2.232
  248    H8     A  10           H8         A  10   1.067   6.115  -3.395
  249   1H6     A  10          1H6         A  10   3.903   5.413   0.489
  250   2H6     A  10          2H6         A  10   4.107   6.311   1.976
  251    H2     A  10           H2         A  10   1.369   9.857   1.773
  252   1H2*    A  10          1H2*        A  10   1.088   9.966  -2.973
  253   2H2*    A  10          2H2*        A  10  -0.467  10.523  -2.304
  254   1H5*    G  11          1H5*        G  11  -5.044  10.843  -5.520
  255   2H5*    G  11          2H5*        G  11  -4.117   9.676  -4.555
  256    H4*    G  11           H4*        G  11  -5.393   9.186  -7.277
  257    H3*    G  11           H3*        G  11  -6.425   8.919  -4.627
  258    H1*    G  11           H1*        G  11  -5.173   5.987  -6.885
  259    H8     G  11           H8         G  11  -3.333   4.285  -6.922
  260    H1     G  11           H1         G  11  -1.666   5.360  -0.866
  261   1H2     G  11          1H2         G  11  -3.940   8.033  -1.085
  262   2H2     G  11          2H2         G  11  -2.796   7.165  -0.090
  263   1H2*    G  11          1H2*        G  11  -5.522   6.927  -4.071
  264   2H2*    G  11          2H2*        G  11  -6.716   6.230  -5.206
  265   1H5*    G  12          1H5*        G  12  -6.803   6.153  -8.104
  266   2H5*    G  12          2H5*        G  12  -8.509   5.860  -8.499
  267    H4*    G  12           H4*        G  12  -7.170   3.883  -9.066
  268    H3*    G  12           H3*        G  12  -9.435   3.927  -7.384
  269    H1*    G  12           H1*        G  12  -6.301   1.650  -6.836
  270    H8     G  12           H8         G  12  -7.334   4.138  -4.033
  271    H1     G  12           H1         G  12  -2.176   0.629  -2.682
  272   1H2     G  12          1H2         G  12  -2.579  -0.621  -5.938
  273   2H2     G  12          2H2         G  12  -1.644  -0.657  -4.460
  274   1H2*    G  12          1H2*        G  12  -8.568   3.052  -5.490
  275   2H2*    G  12          2H2*        G  12  -8.534   1.511  -6.401
  276    HO3    G  12           HO3        G  12  -8.162   1.857  -8.871