*HEADER    COMPLEX (PEPTIDE NUCLEIC ACID/DNA)      28-MAR-96   1PDT    
*TITLE     PD235, PNA-DNA DUPLEX, NMR, 8 STRUCTURES                    
*COMPND    MOL_ID: 1;                                                  
*COMPND   2 MOLECULE: DNA (5'-D(*GP*AP*CP*AP*TP*AP*GP*C)-3';           
*COMPND   3 CHAIN: A;                                                  
*COMPND   4 ENGINEERED: YES;                                           
*COMPND   5 MOL_ID: 2;                                                 
*COMPND   6 MOLECULE: PEPTIDE NUCLEIC ACID                             
*COMPND   7 (COOH-P(*G*C*T*A*T*G*T*C)-NH2);                            
*COMPND   8 CHAIN: B;                                                  
*COMPND   9 SYNONYM: PNA;                                              
*COMPND  10 ENGINEERED: YES;                                           
*COMPND  11 OTHER_DETAILS: PNA-DNA DUPLEX                              
*SOURCE    MOL_ID: 1;                                                  
*SOURCE   2 SYNTHETIC: YES;                                            
*SOURCE   3 MOL_ID: 2;                                                 
*SOURCE   4 SYNTHETIC: YES                                             
*KEYWDS    COMPLEX (PEPTIDE NUCLEIC ACID/DNA), NUCLEIC ACID COMPLEX,   
*KEYWDS   2 DUPLEX, HYBRID                                             
*EXPDTA    NMR, 8 STRUCTURES                                           
*AUTHOR    M.ERIKSSON,P.E.NIELSEN                                      
*REVDAT   2   15-NOV-23 1PDT    1                                                
*REVDAT   1   14-OCT-96 1PDT    0                                      


REMARKS  NMR restraints for pd235.................96-03-27..me
REMARKS  longer ADE-H2 upr bnds (*2 or *1.5)......95-06-01..me
assi (resi   1 and name h8   and segi   S1)
     (resi   1 and name h3'  and segi   S1)  4.82  0.48  0.96 !   63 -^l  3.22 
assi (resi   1 and name h1'  and segi   S1)
     (resi   1 and name h2'  and segi   S1)  2.52  0.25  0.50 !  283 P--  1.29 
assi (resi   1 and name h3'  and segi   S1)
     (resi   1 and name h2'  and segi   S1)  2.55  0.25  0.51 !  344 P--  1.21 
assi (resi   1 and name h8   and segi   S1)
     (resi   1 and name h1'  and segi   S1)  3.62  0.36  0.72 !   23 -^-  1.60 
assi (resi   1 and name h3'  and segi   S1)
     (resi   1 and name h2'' and segi   S1)  2.75  0.27  0.55 !  345 P--  1.24 
assi (resi   1 and name h1'  and segi   S1)
     (resi   1 and name h2'' and segi   S1)  2.42  0.24  0.48 !  282 P--  1.11 
assi (resi   1 and name h8   and segi   S1)
     (resi   1 and name h2'  and segi   S1)  3.32  0.33  0.66 !  184 P--  1.21 
assi (resi   1 and name h8   and segi   S1)
     (resi   1 and name h2'' and segi   S1)  3.54  0.35  0.71 !  185 -^-  1.40 
assi (resi   1 and name h8   and segi   S1)
     (resi   1 and name h4'  and segi   S1)  4.57  0.46  0.91 !   64 -v-  1.97 
assi (resi   1 and name h1'  and segi   S1)
     (resi   1 and name h4'  and segi   S1)  2.75  0.27  0.55 !  262 -^-  1.50 
assi (resi   2 and name h8   and segi   S1)
     (resi   1 and name h1'  and segi   S1)  3.43  0.34  0.69 !   24 -^-  1.90 
assi (resi   2 and name h8   and segi   S1)
     (resi   1 and name h3'  and segi   S1)  4.14  0.41  0.83 !   60 -^-  1.63 
assi (resi   1 and name h1'  and segi   S1)
     (resi   2 and name h4'  and segi   S1)  4.28  0.43  0.86 !  250 -v-  1.85 
assi (resi   1 and name h1'  and segi   S1)
     (resi   2 and name h3'  and segi   S1)  4.47  0.45  0.89 !  239 -v-  2.35 
assi (resi   2 and name h8   and segi   S1)
     (resi   1 and name h8   and segi   S1)  4.33  0.43  0.87 !    1 0^> 29.58 
assi (resi   2 and name h2   and segi   S1)
     (resi   2 and name h2'  and segi   S1)  4.75  0.47  1.90 !  192 0^> 14.96  upr*2.0
assi (resi   2 and name h1'  and segi   S1)
     (resi   2 and name h4'  and segi   S1)  2.88  0.29  0.58 !  242 P--  1.25 
assi (resi   2 and name h2   and segi   S1)
     (resi   2 and name h1'  and segi   S1)  4.53  0.45  1.82 !   38 -v-  1.88  upr *2.0
assi (resi   2 and name h1'  and segi   S1)
     (resi   2 and name h2'' and segi   S1)  2.19  0.22  0.44 !  276 P--  1.06 
assi (resi   2 and name h2   and segi   S1)
     (resi   2 and name h2'' and segi   S1)  5.00  0.50  2.00 !  191 0v>  5.242 lngr upr
assi (resi   2 and name h1'  and segi   S1)
     (resi   2 and name h2'  and segi   S1)  2.49  0.25  0.50 !  275 P--  1.29 
assi (resi   2 and name h1'  and segi   S1)
     (resi   2 and name h3'  and segi   S1)  3.20  0.32  0.64 !  233 -^-  1.52 
assi (resi   2 and name h8   and segi   S1)
     (resi   2 and name h1'  and segi   S1)  3.39  0.34  0.68 !   25 -^-  1.56 
assi (resi   3 and name h5   and segi   S1)
     (resi   2 and name h2'' and segi   S1)  3.40  0.34  0.68 !  332 -^-  1.49 
assi (resi   2 and name h2   and segi   S1)
     (resi   3 and name h6   and segi   S1)  3.89  0.39  1.56 !    7 0^l 22.01  upr*2.0
assi (resi   2 and name h8   and segi   S1)
     (resi   3 and name h5   and segi   S1)  4.03  0.40  0.81 !   45 -^-  1.66 
assi (resi   2 and name h2   and segi   S1)
     (resi   3 and name h5   and segi   S1)  5.00  0.50  2.00 !   46 0v> 166.52 lngr upr
assi (resi   2 and name h1'  and segi   S1)
     (resi   3 and name h5   and segi   S1)  4.47  0.45  0.89 !  235 -v-  2.04 
assi (resi   2 and name h2   and segi   S1)
     (resi   3 and name h1'  and segi   S1)  3.54  0.35  1.42 !   37 P--  1.20  upr*2.0
assi (resi   2 and name h2   and segi   S1)
     (resi   3 and name h2'' and segi   S1)  4.86  0.49  1.94 !  194 0^>  4.96  upr*2.0
assi (resi   3 and name h5   and segi   S1)
     (resi   2 and name h2'  and segi   S1)  3.21  0.32  0.64 !  333 -^-  1.63 
assi (resi   3 and name h6   and segi   S1)
     (resi   2 and name h1'  and segi   S1)  3.11  0.31  0.62 !   26 -^-  1.60 
assi (resi   2 and name h2   and segi   S1)
     (resi   3 and name h2'  and segi   S1)  5.00  0.50  2.00 !  195 0v>  5.90  lngr upr
assi (resi   2 and name h4'  and segi   S1)
     (resi   2 and name h2'' and segi   S1)  3.08  0.31  0.62 !  357 P--  1.30 
assi (resi   2 and name h2   and segi   S1)
    ((resi  16 and name hd2  and segi   S2) or
     (resi  16 and name hd1  and segi   S2)) 5.00  0.50  2.00 !   85 -v-  2.24  lngr upr
assi (resi   2 and name h2   and segi   S1)
     (resi  16 and name hb2  and segi   S2)  2.98  0.30  1.20 !   67 P--  1.22  upr*1.5
assi (resi   2 and name h2   and segi   S1)
    ((resi  16 and name hg2  and segi   S2) or
     (resi  16 and name hg1  and segi   S2)) 4.28  0.43  1.72 !   87 -v-  2.67  upr*2.0
assi (resi   2 and name h2   and segi   S1)
     (resi  16 and name hb1  and segi   S2)  3.31  0.33  1.32 !   72 -^-  1.45  upr*2.0
assi (resi   2 and name h2   and segi   S1)
    ((resi  16 and name hd1  and segi   S2) or
     (resi  16 and name hd2  and segi   S2)) 3.52  0.35  1.40 !   73 -^-  1.59  upr*2.0
assi (resi   2 and name h2   and segi   S1)
     (resi  16 and name h6   and segi   S2)  4.18  0.42  1.68 !    8 -^-  2.24  upr*2.0
assi (resi   3 and name h1'  and segi   S1)
     (resi   3 and name h4'  and segi   S1)  2.78  0.28  0.56 !  263 P--  1.17 
assi (resi   3 and name h1'  and segi   S1)
     (resi   3 and name h2'  and segi   S1)  2.67  0.27  0.53 !  285 P--  1.25 
assi (resi   3 and name h3'  and segi   S1)
     (resi   3 and name h2'  and segi   S1)  2.44  0.24  0.49 !  340 P--  1.06 
assi (resi   3 and name h3'  and segi   S1)
     (resi   3 and name h2'' and segi   S1)  2.69  0.27  0.54 !  342 P--  1.26 
assi (resi   3 and name h6   and segi   S1)
     (resi   3 and name h1'  and segi   S1)  3.38  0.34  0.68 !   27 -^-  1.56 
assi (resi   3 and name h4'  and segi   S1)
     (resi   3 and name h2'' and segi   S1)  2.94  0.29  0.59 !  354 P--  1.32 
assi (resi   3 and name h5   and segi   S1)
     (resi   3 and name h2'  and segi   S1)  3.63  0.36  0.73 !  335 -^-  1.75 
assi (resi   3 and name h1'  and segi   S1)
     (resi   3 and name h2'' and segi   S1)  2.32  0.23  0.46 !  284 P--  1.07 
assi (resi   3 and name h1'  and segi   S1)
     (resi   3 and name h5   and segi   S1)  5.00  0.50  1.00 !  240 0v>  5.71 
assi (resi   3 and name h1'  and segi   S1)
     (resi   4 and name h4'  and segi   S1)  4.84  0.48  0.97 !  249 -v-  3.17 
assi (resi   4 and name h8   and segi   S1)
     (resi   3 and name h2'' and segi   S1)  2.80  0.28  0.56 !  188 P--  1.17 
assi (resi   4 and name h8   and segi   S1)
     (resi   3 and name h2'  and segi   S1)  2.82  0.28  0.56 !  178 P--  1.09 
assi (resi   4 and name h8   and segi   S1)
     (resi   3 and name h6   and segi   S1)  3.97  0.40  0.79 !    9 -^-  1.57 
assi (resi   4 and name h8   and segi   S1)
     (resi   3 and name h1'  and segi   S1)  3.01  0.30  0.60 !   28 P--  1.15 
assi (resi   4 and name h8   and segi   S1)
     (resi   3 and name h6   and segi   S1)  4.08  0.41  0.82 !    2 -^-  2.04 
assi (resi   4 and name h4'  and segi   S1)
     (resi   3 and name h2'' and segi   S1)  3.92  0.39  0.78 !  379 -v-  2.63 
assi (resi   4 and name h8   and segi   S1)
     (resi   4 and name h3'  and segi   S1)  3.27  0.33  0.65 !   53 -^-  1.58 
assi (resi   4 and name h8   and segi   S1)
     (resi   4 and name h2'' and segi   S1)  3.18  0.32  0.64 !  181 -^-  2.10 
assi (resi   4 and name h8   and segi   S1)
     (resi   4 and name h2'  and segi   S1)  2.56  0.26  0.51 !  180 P--  1.04 
assi (resi   4 and name h4'  and segi   S1)
     (resi   4 and name h2'  and segi   S1)  3.06  0.31  1.00 !  360 -^-  1.58  lngr upr, sp df
assi (resi   4 and name h4'  and segi   S1)
     (resi   4 and name h2'' and segi   S1)  3.04  0.30  1.00 !  356 -^-  1.57  lngr upr, sp df
assi (resi   4 and name h8   and segi   S1)
     (resi   4 and name h1'  and segi   S1)  3.43  0.34  0.69 !   29 -^-  1.98 
assi (resi   4 and name h2   and segi   S1)
     (resi   4 and name h1'  and segi   S1)  4.09  0.41  1.64 !   40 -^-  2.05  upr*2.0
assi (resi   4 and name h8   and segi   S1)
     (resi   4 and name h4'  and segi   S1)  3.94  0.39  0.79 !   54 -^-  2.22 
assi (resi   4 and name h1'  and segi   S1)
     (resi   4 and name h4'  and segi   S1)  2.92  0.29  0.58 !  241 P--  1.19 
assi (resi   4 and name h1'  and segi   S1)
     (resi   4 and name h2'' and segi   S1)  2.25  0.23  0.45 !  274 P--  1.03 
assi (resi   4 and name h1'  and segi   S1)
     (resi   4 and name h2'  and segi   S1)  2.54  0.25  0.51 !  273 -^-  1.37 
assi (resi   4 and name h3'  and segi   S1)
     (resi   4 and name h2'' and segi   S1)  2.57  0.26  0.51 !  346 P--  1.26 
assi (resi   4 and name h1'  and segi   S1)
     (resi   4 and name h3'  and segi   S1)  3.29  0.33  0.66 !  232 -^-  1.58 
assi (resi   5 and name h6   and segi   S1)
     (resi   4 and name h2'' and segi   S1)  2.71  0.27  0.54 !  204 P--  1.13 
assi (resi   4 and name h2   and segi   S1)
     (resi   5 and name h2'  and segi   S1)  4.98  0.50  2.00 !  196 -v-  1.95  upr*2.0
assi (resi   4 and name h2'' and segi   S1)
     (resi   5 and name h5#  and segi   S1)  4.17  0.42  0.83 !  381 0v>  8.62 
assi (resi   4 and name h2'  and segi   S1)
     (resi   5 and name h5#  and segi   S1)  3.90  0.39  0.78 !  382 0v>  7.73 
assi (resi   4 and name h8   and segi   S1)
     (resi   5 and name h5#  and segi   S1)  3.72  0.37  0.74 !  211 -^-  1.44 
assi (resi   5 and name h6   and segi   S1)
     (resi   4 and name h1'  and segi   S1)  3.28  0.33  0.66 !   30 -^-  2.23 
assi (resi   4 and name h2   and segi   S1)
     (resi   5 and name h6   and segi   S1)  4.53  0.45  1.82 !   13 0^>  5.02  upr*2.0
assi (resi   4 and name h8   and segi   S1)
     (resi   5 and name h6   and segi   S1)  3.97  0.40  0.79 !    3 -^-  1.97 
assi (resi   4 and name h2   and segi   S1)
     (resi   5 and name h1'  and segi   S1)  3.39  0.34  1.36 !   39 P--  1.40  upr*2.0
assi (resi   4 and name h2   and segi   S1)
    ((resi  14 and name hd2  and segi   S2) or
     (resi  14 and name hd1  and segi   S2)) 5.00  0.50  2.00 !  177 0v>  5.85  upr*2.0
assi (resi   4 and name h2   and segi   S1)
    ((resi  14 and name hd1  and segi   S2) or
     (resi  14 and name hd2  and segi   S2)) 4.86  0.49  1.94 !   78 0v>  6.49  upr*2.0
assi (resi   4 and name h2   and segi   S1)
    ((resi  14 and name hg2  and segi   S2) or
     (resi  14 and name hg1  and segi   S2)) 3.90  0.39  1.56 !   77 0^>  4.76  upr*2.0
assi (resi   4 and name h2   and segi   S1)
     (resi  14 and name hb1  and segi   S2)  3.48  0.35  1.40 !   75 -^-  1.89  upr*2.0
assi (resi   4 and name h2   and segi   S1)
    ((resi  14 and name hg1  and segi   S2) or
     (resi  14 and name hg2  and segi   S2)) 4.50  0.45  1.80 !   90 -v-  2.08  upr*2.0
assi (resi   4 and name h2   and segi   S1)
     (resi  14 and name h8   and segi   S2)  3.89  0.39  1.56 !   15 -^l  2.41  upr*2.0
assi (resi   4 and name h2   and segi   S1)
     (resi  14 and name hb2  and segi   S2)  3.26  0.33  1.30 !   80 -^-  1.76  upr*2.0
assi (resi   5 and name h1'  and segi   S1)
     (resi   5 and name h5#  and segi   S1)  5.00  0.50  1.00 !  292 0vl 983.17
assi (resi   5 and name h6   and segi   S1)
     (resi   5 and name h2'  and segi   S1)  2.40  0.24  0.48 !  200 P-l  1.06 
assi (resi   5 and name h1'  and segi   S1)
     (resi   5 and name h4'  and segi   S1)  2.63  0.26  0.53 !  260 P--  1.23 
assi (resi   5 and name h6   and segi   S1)
     (resi   5 and name h3'  and segi   S1)  3.23  0.32  0.65 !  236 -^-  1.44 
assi (resi   5 and name h1'  and segi   S1)
     (resi   5 and name h2'  and segi   S1)  2.65  0.26  0.53 !  281 P--  1.29 
assi (resi   5 and name h6   and segi   S1)
     (resi   5 and name h1'  and segi   S1)  3.32  0.33  0.66 !   31 -^-  1.51 
assi (resi   5 and name h4'  and segi   S1)
     (resi   5 and name h2'' and segi   S1)  2.59  0.26  1.00 !  363 -^-  1.42  lngr upr sp df
assi (resi   5 and name h5'  and segi   S1)
     (resi   5 and name h5#  and segi   S1)  5.00  0.50  1.00 !  370 0v> 22.20
assi (resi   5 and name h3'  and segi   S1)
     (resi   5 and name h2'  and segi   S1)  2.36  0.24  0.47 !  339 P--  1.04 
assi (resi   5 and name h2'  and segi   S1)
     (resi   5 and name h5#  and segi   S1)  5.00  0.50  1.00 !  383 0v> -134.15  
assi (resi   6 and name h8   and segi   S1)
     (resi   5 and name h2'  and segi   S1)  2.71  0.27  0.54 !  183 P--  1.10 
assi (resi   6 and name h8   and segi   S1)
     (resi   5 and name h6   and segi   S1)  3.80  0.38  0.76 !    4 -^-  1.80 
assi (resi   6 and name h8   and segi   S1)
     (resi   5 and name h5#  and segi   S1)  5.00  0.50  1.00 !  212 0v>  5.64 
assi (resi   5 and name h1'  and segi   S1)
     (resi   6 and name h3'  and segi   S1)  4.03  0.40  0.81 !  267 -^-  2.03 
assi (resi   6 and name h8   and segi   S1)
     (resi   5 and name h1'  and segi   S1)  3.21  0.32  0.64 !   32 -^-  1.53 
assi (resi   6 and name h8   and segi   S1)
     (resi   6 and name h1'  and segi   S1)  3.22  0.32  0.64 !   33 -^-  1.41 
assi (resi   6 and name h2   and segi   S1)
     (resi   6 and name h1'  and segi   S1)  4.62  0.46  1.84 !   42 0v> 37.79  upr*2.0
assi (resi   6 and name h1'  and segi   S1)
     (resi   6 and name h2'' and segi   S1)  2.22  0.22  0.44 !  278 P--  1.08 
assi (resi   6 and name h1'  and segi   S1)
     (resi   6 and name h2'  and segi   S1)  2.52  0.25  0.50 !  277 P--  1.33 
assi (resi   6 and name h4'  and segi   S1)
     (resi   6 and name h2'' and segi   S1)  2.90  0.29  0.58 !  359 P--  1.35 
assi (resi   6 and name h1'  and segi   S1)
     (resi   6 and name h4'  and segi   S1)  2.72  0.27  0.54 !  243 P--  1.26 
assi (resi   6 and name h1'  and segi   S1)
     (resi   6 and name h3'  and segi   S1)  3.16  0.32  0.63 !  234 -v-  1.60 
assi (resi   6 and name h8   and segi   S1)
     (resi   6 and name h3'  and segi   S1)  3.57  0.36  0.71 !   61 -^-  1.69 
assi (resi   6 and name h1'  and segi   S1)
     (resi   7 and name h4'  and segi   S1)  3.71  0.37  1.00 !  245 -^-  1.66
assi (resi   6 and name h2   and segi   S1)
     (resi   7 and name h1'  and segi   S1)  3.65  0.37  1.46 !   41 -^l  3.78  upr*2.0
assi (resi   7 and name h8   and segi   S1)
     (resi   6 and name h1'  and segi   S1)  2.90  0.29  0.58 !   34 -^-  1.36 
assi (resi   7 and name h4'  and segi   S1)
     (resi   6 and name h2'' and segi   S1)  3.56  0.36  0.71 !  358 -^-  1.76 
assi (resi   6 and name h2   and segi   S1)
    ((resi  12 and name hg2  and segi   S2) or
     (resi  12 and name hg1  and segi   S2)) 3.72  0.37  2.00 !  155 -^-  2.26  upr*2.0
assi (resi   6 and name h2   and segi   S1)
     (resi  12 and name hb1  and segi   S2)  3.48  0.35  1.40 !   98 P--  1.37  upr*2.0
assi (resi   6 and name h2   and segi   S1)
     (resi  12 and name h2   and segi   S2)  3.49  0.35  1.40 !   22 -^-  2.40  dbld upr 
assi (resi   6 and name h2   and segi   S1)
    ((resi  12 and name hg1  and segi   S2) or
     (resi  12 and name hg2  and segi   S2)) 4.25  0.43  2.00 !  146 -v-  2.20  upr*2.0
assi (resi   6 and name h2   and segi   S1)
     (resi  12 and name hb2  and segi   S2)  3.16  0.32  1.26 !  103 P--  1.29  upr*2.0
assi (resi  12 and name h2   and segi   S2)
     (resi   6 and name h1'  and segi   S1)  3.85  0.38  1.44 !   44 0^>  6.23  dbld upr
assi (resi  12 and name h8   and segi   S2)
     (resi   6 and name h2   and segi   S1)  4.43  0.44  1.78 !   10 0v> 13.51  upr*2.0
assi (resi   7 and name h8   and segi   S1)
     (resi   7 and name h3'  and segi   S1)  2.37  0.24  0.47 !   94 P--  1.20 
assi (resi   7 and name h1'  and segi   S1)
     (resi   7 and name h2'  and segi   S1)  2.70  0.27  0.54 !  280 P--  1.38 
assi (resi   7 and name h1'  and segi   S1)
     (resi   7 and name h4'  and segi   S1)  2.97  0.30  0.59 !  248 -^-  1.29 
assi (resi   7 and name h3'  and segi   S1)
     (resi   7 and name h2'  and segi   S1)  2.51  0.25  0.50 !  341 P--  1.08 
assi (resi   7 and name h1'  and segi   S1)
     (resi   7 and name h3'  and segi   S1)  3.79  0.38  0.76 !  266 -^-  1.80 
assi (resi   7 and name h8   and segi   S1)
     (resi   7 and name h2'  and segi   S1)  2.48  0.25  0.50 !  201 P--  1.02 
assi (resi   7 and name h4'  and segi   S1)
     (resi   7 and name h2'  and segi   S1)  3.44  0.34  0.69 !  353 -v-  1.85 
assi (resi   7 and name h3'  and segi   S1)
     (resi   7 and name h2'  and segi   S1)  2.66  0.27  0.53 !  343 P--  1.23 
assi (resi   7 and name h4'  and segi   S1)
     (resi   7 and name h2'' and segi   S1)  3.00  0.30  0.60 !  355 -^-  1.41 
assi (resi   7 and name h1'  and segi   S1)
     (resi   8 and name h2'  and segi   S1)  4.88  0.49  0.98 !  289 0v>  7.40 
assi (resi   8 and name h3'  and segi   S1)
     (resi   7 and name h2'  and segi   S1)  3.99  0.40  0.80 !  352 -v-  1.74 
assi (resi   8 and name h1'  and segi   S1)
     (resi   8 and name h4'  and segi   S1)  2.86  0.29  0.57 !  255 P--  1.29 
assi (resi   8 and name h6   and segi   S1)
     (resi   8 and name h2'  and segi   S1)  2.42  0.24  0.48 !  198 P-l  1.07 
assi (resi   8 and name h1'  and segi   S1)
     (resi   8 and name h2'  and segi   S1)  2.63  0.26  0.53 !  287 P--  1.36 
assi (resi   8 and name h1'  and segi   S1)
     (resi   8 and name h2'' and segi   S1)  2.20  0.22  0.44 !  286 P--  1.07 
assi (resi   8 and name h1'  and segi   S1)
     (resi   8 and name h3'  and segi   S1)  3.20  0.32  0.64 !  244 -^-  1.51 
assi (resi   8 and name h4'  and segi   S1)
     (resi   8 and name h2'' and segi   S1)  3.03  0.30  0.61 !  366 -^-  1.42 
assi (resi   8 and name h4'  and segi   S1)
     (resi   8 and name h2'  and segi   S1)  3.47  0.35  0.69 !  365 -v-  1.65 
assi (resi   8 and name h3'  and segi   S1)
     (resi   8 and name h2'  and segi   S1)  2.51  0.25  0.50 !  350 P--  1.26 
assi (resi   8 and name h6   and segi   S1)
     (resi   8 and name h3'  and segi   S1)  2.83  0.28  0.57 !  114 P--  1.37 
assi (resi   8 and name h3'  and segi   S1)
     (resi   8 and name h2'' and segi   S1)  2.67  0.27  0.53 !  380 P--  1.35 
assi (resi   9 and name h8   and segi   S2)
    ((resi   9 and name hg1  and segi   S2) or
     (resi   9 and name hg2  and segi   S2)) 5.00  0.50  1.00 !  139 0v> 18.17
assi ((resi   9 and name hd2  and segi   S2) or
     (resi   9 and name hd1  and segi   S2))  
    ((resi   9 and name hg1  and segi   S2) or
     (resi   9 and name hg2  and segi   S2)) 1.78  0.18  0.50 !  322 P--  1.65  lngr upr
assi (resi   9 and name hb1  and segi   S2)
    ((resi   9 and name hd2  and segi   S2) or
     (resi   9 and name hd1  and segi   S2)) 2.46  0.25  0.49 !  299 P--  1.13 
assi (resi   9 and name hb1  and segi   S2)
    ((resi   9 and name hg2  and segi   S2) or
     (resi   9 and name hg1  and segi   S2)) 2.34  0.23  0.47 !  298 P-l  1.03 
assi (resi   9 and name hb1  and segi   S2)
    ((resi   9 and name hg1  and segi   S2) or
     (resi   9 and name hg2  and segi   S2)) 2.86  0.29  0.57 !  300 P--  1.35 
assi (resi   9 and name h8   and segi   S2)
     (resi   9 and name hb1  and segi   S2)  3.01  0.30  0.60 !  101 P--  1.26 
assi (resi   9 and name h8   and segi   S2)
     (resi   9 and name hb2  and segi   S2)  3.21  0.32  0.64 !   92 -^-  1.45 
assi (resi   9 and name h8   and segi   S2)
    ((resi   9 and name hg2  and segi   S2) or
     (resi   9 and name hg1  and segi   S2)) 4.70  0.47  0.94 !  131 0^> 104.27 
assi (resi   9 and name h8   and segi   S2)
    ((resi   9 and name hd1  and segi   S2) or
     (resi   9 and name hd2  and segi   S2)) 4.48  0.45  0.90 !  130 0v>  5.09 
assi (resi  10 and name h6   and segi   S2)
    ((resi  10 and name hd2  and segi   S2) or
     (resi  10 and name hd1  and segi   S2)) 3.54  0.35  0.71 !  147 -v-  1.84 
assi (resi  10 and name h6   and segi   S2)
    ((resi  10 and name hd1  and segi   S2) or
     (resi  10 and name hd2  and segi   S2)) 3.22  0.32  0.64 !  151 -^-  1.60 
assi (resi  10 and name h6   and segi   S2)
     (resi  10 and name hb1  and segi   S2)  2.50  0.25  0.50 !  127 P-l  1.22 
assi (resi  10 and name h6   and segi   S2)
     (resi  10 and name hb2  and segi   S2)  2.94  0.29  0.59 !   99 P--  1.36 
assi (resi  10 and name h5   and segi   S2)
    ((resi  10 and name hd1  and segi   S2) or
     (resi  10 and name hd2  and segi   S2)) 4.56  0.46  0.91 !  272 -v-  2.85 
assi (resi  10 and name h6   and segi   S2)
     (resi  11 and name h5#  and segi   S2)  3.79  0.38  0.76 !  222 -^-  1.54 
assi (resi  10 and name h5   and segi   S2)
     (resi  11 and name h5#  and segi   S2)  3.12  0.31  0.62 !  291 P--  1.28 
assi (resi  11 and name h6   and segi   S2)
     (resi  10 and name h5   and segi   S2)  4.66  0.47  0.93 !  104 -v-  2.04 
assi (resi  11 and name h6   and segi   S2)
     (resi  10 and name hb2  and segi   S2)  4.16  0.42  0.83 !  176 P--  1.34 
assi (resi  11 and name h6   and segi   S2)
     (resi  10 and name h6   and segi   S2)  4.32  0.43  0.86 !   21 0v>  6.89 
assi ((resi  11 and name hg2  and segi   S2) or
     (resi  11 and name hg1  and segi   S2))
    ((resi  11 and name hd2  and segi   S2) or
     (resi  11 and name hd1  and segi   S2)) 2.22  0.22  0.44 !  325 P--  1.43 
assi (resi  11 and name h6   and segi   S2)
     (resi  11 and name hb1  and segi   S2)  2.32  0.23  0.46 !  125 P--  1.20 
assi ((resi  11 and name hg1  and segi   S2) or
     (resi  11 and name hg2  and segi   S2))
    ((resi  11 and name hd2  and segi   S2) or
     (resi  11 and name hd1  and segi   S2)) 2.24  0.22  0.45 !  323 P--  1.59 
assi (resi  11 and name h6   and segi   S2)
     (resi  11 and name hb2  and segi   S2)  2.58  0.26  1.00 !   97 P--  1.31
assi (resi  11 and name h6   and segi   S2)
    ((resi  11 and name hg2  and segi   S2) or
     (resi  11 and name hg1  and segi   S2)) 3.08  0.31  0.62 !  153 P--  1.33 
assi (resi  11 and name h6   and segi   S2)
    ((resi  11 and name hd2  and segi   S2) or
     (resi  11 and name hd1  and segi   S2)) 4.31  0.43  0.86 !  145 0v>  6.41 
assi (resi  11 and name h6   and segi   S2)
    ((resi  11 and name hg1  and segi   S2) or
     (resi  11 and name hg2  and segi   S2)) 3.82  0.38  1.52 !  152 -v-  1.94
assi (resi  12 and name h8   and segi   S2)
     (resi  11 and name h5#  and segi   S2)  4.83  0.48  0.97 !  216 -^-  1.47 
assi (resi  12 and name h2   and segi   S2)
     (resi  13 and name hb1  and segi   S2)  3.01  0.30  1.20 !  149 P--  1.24  dbld upr
assi (resi  12 and name h2   and segi   S2)
    ((resi  13 and name hd2  and segi   S2) or
     (resi  13 and name hd1  and segi   S2)) 4.75  0.48  1.90 !  148 0v>  3.98  dbld upr
assi (resi  12 and name h2   and segi   S2)
     (resi  13 and name h5#  and segi   S2)  5.00  0.50  2.00 !  226 -^-  1.80  dbld upr
assi (resi  12 and name h2   and segi   S2)
    ((resi  13 and name hg1  and segi   S2) or
     (resi  13 and name hg2  and segi   S2)) 3.80  0.38  1.52 !  150 -v-  1.82  dbld upr
assi (resi  12 and name h8   and segi   S2)
     (resi  13 and name h5#  and segi   S2)  3.91  0.39  0.78 !  214 P--  1.26 
assi (resi  12 and name h2   and segi   S2)
     (resi  13 and name h6   and segi   S2)  4.02  0.40  1.60 !   20 -v-  2.77  dbld upr
assi (resi  12 and name h2   and segi   S2)
     (resi  13 and name hb2  and segi   S2)  2.77  0.28  1.10 !  136 P--  1.13  dbld upr
assi (resi  12 and name h2   and segi   S2)
    ((resi  13 and name hd1  and segi   S2) or
     (resi  13 and name hd2  and segi   S2)) 4.11  0.41  2.00 !  133 -v-  2.05  upr*2.00
assi (resi  12 and name h2   and segi   S2)
    ((resi  13 and name hg2  and segi   S2) or
     (resi  13 and name hg1  and segi   S2)) 3.49  0.35  2.00 !  132 -v-  1.72  upr*2.00
assi (resi  13 and name hb2  and segi   S2)
    ((resi  13 and name hd2  and segi   S2) or
     (resi  13 and name hd1  and segi   S2)) 2.87  0.29  1.50 !  305 P--  1.33 
assi (resi  13 and name hb1  and segi   S2)
     (resi  13 and name h5#  and segi   S2)  3.86  0.39  1.00 !  378 -^-  1.50
assi (resi  13 and name h6   and segi   S2)
    ((resi  13 and name hd1  and segi   S2) or
     (resi  13 and name hd2  and segi   S2)) 3.99  0.40  0.80 !  174 -v-  1.76 
assi ((resi  13 and name hg2  and segi   S2) or
     (resi  13 and name hg1  and segi   S2))
    ((resi  13 and name hd2  and segi   S2) or
     (resi  13 and name hd1  and segi   S2)) 2.17  0.22  0.43 !  324 P-l  1.45 
assi (resi  13 and name h6   and segi   S2)
     (resi  13 and name hb1  and segi   S2)  2.35  0.23  0.47 !  171 P-l  1.03 
assi (resi  13 and name h6   and segi   S2)
     (resi  13 and name hb2  and segi   S2)  2.66  0.27  0.53 !  162 -^-  1.34 
assi (resi  13 and name h6   and segi   S2)
    ((resi  13 and name hd2  and segi   S2) or
     (resi  13 and name hd1  and segi   S2)) 4.29  0.43  0.86 !  170 0v>  3.19 
assi (resi  14 and name h8   and segi   S2)
     (resi  13 and name h6   and segi   S2)  3.97  0.40  0.79 !   17 -^-  2.35 
assi (resi  14 and name h8   and segi   S2)
     (resi  14 and name hb1  and segi   S2)  2.58  0.26  0.52 !  108 P--  1.10 
assi (resi  14 and name h8   and segi   S2)
    ((resi  14 and name hd1  and segi   S2) or
     (resi  14 and name hd2  and segi   S2)) 3.63  0.36  1.00 !  113 -v-  1.80
assi (resi  14 and name h8   and segi   S2)
    ((resi  14 and name hg2  and segi   S2) or
     (resi  14 and name hg1  and segi   S2)) 3.49  0.35  1.00 !  112 -^- 
assi (resi  14 and name h8   and segi   S2)
     (resi  14 and name hb2  and segi   S2)  2.93  0.29  0.59 !   93 P--  1.38 
assi (resi  14 and name h8   and segi   S2)
    ((resi  14 and name hd2  and segi   S2) or
     (resi  14 and name hd1  and segi   S2)) 4.48  0.45  0.90 !  141 0v>  4.07 
assi ((resi  14 and name hg2  and segi   S2) or
     (resi  14 and name hg1  and segi   S2))
    ((resi  14 and name hd2  and segi   S2) or
     (resi  14 and name hd1  and segi   S2)) 2.15  0.22  0.43 !  327 P-l  1.70 
assi (resi  14 and name h8   and segi   S2)
     (resi  15 and name h5#  and segi   S2)  3.89  0.39  0.78 !  218 P--  1.46 
assi (resi  14 and name h8   and segi   S2)
     (resi  15 and name h6   and segi   S2)  5.00  0.50  1.00 !   18 0v> 62.44  5.34
assi (resi  15 and name hb1  and segi   S2)
     (resi  15 and name h5#  and segi   S2)  3.99  0.40  1.20 !  377 -^-  1.52
assi (resi  15 and name h6   and segi   S2)
    ((resi  15 and name hd1  and segi   S2) or
     (resi  15 and name hd2  and segi   S2)) 4.33  0.43  0.87 !  164 -v-  2.42 
assi (resi  15 and name h6   and segi   S2)
     (resi  15 and name hb2  and segi   S2)  3.20  0.32  0.64 !  156 P--  1.24 
assi ((resi  15 and name hg2  and segi   S2) or
     (resi  15 and name hg1  and segi   S2))
    ((resi  15 and name hd2  and segi   S2) or
     (resi  15 and name hd1  and segi   S2)) 2.36  0.24  0.47 !  326 P--  1.57 
assi (resi  15 and name h6   and segi   S2)
    ((resi  15 and name hd2  and segi   S2) or
     (resi  15 and name hd1  and segi   S2)) 4.69  0.47  0.94 !  169 0v>  3.18 
assi (resi  15 and name h6   and segi   S2)
     (resi  15 and name hb1  and segi   S2)  2.62  0.26  0.52 !  166 P-l  1.01 
assi (resi  15 and name h6   and segi   S2)
    ((resi  15 and name hg2  and segi   S2) or
     (resi  15 and name hg1  and segi   S2)) 3.08  0.31  0.62 !  165 -^-  1.45
assi (resi  16 and name h5   and segi   S2)
     (resi  15 and name h5#  and segi   S2)  3.55  0.35  0.71 !  290 P--  1.33 
assi (resi  15 and name h6   and segi   S2)
     (resi  16 and name h5   and segi   S2)  5.00  0.50  1.00 !   51 0v> -109.05
assi (resi  16 and name h6   and segi   S2)
     (resi  15 and name h6   and segi   S2)  5.00  0.50  1.00 !   19 0^>  6.94
assi ((resi  16 and name hg2  and segi   S2) or 
     (resi  16 and name hg1  and segi   S2))
    ((resi  16 and name hd2  and segi   S2) or
     (resi  16 and name hd1  and segi   S2)) 2.10  0.21  0.42 !  328 P-l  1.73 
assi (resi  16 and name hb2  and segi   S2)
    ((resi  16 and name hd2  and segi   S2) or
     (resi  16 and name hd1  and segi   S2)) 2.73  0.27  0.55 !  303 P--  1.28 
assi ((resi  16 and name hg1  and segi   S2) or
     (resi  16 and name hg2  and segi   S2))
    ((resi  16 and name hd2  and segi   S2) or
     (resi  16 and name hd1  and segi   S2)) 2.70  0.27  0.54 !  315 -^-  1.39 
assi (resi  16 and name h6   and segi   S2)
    ((resi  16 and name hd2  and segi   S2) or
     (resi  16 and name hd1  and segi   S2)) 4.08  0.41  0.82 !  144 -v-  2.96 
assi (resi  16 and name h6   and segi   S2)
    ((resi  16 and name hg1  and segi   S2) or
     (resi  16 and name hg2  and segi   S2)) 3.98  0.40  0.80 !  143 -v-  2.00 


!! H2O-data
 
!! amide-aromatic
 
assign (resid 10 and name  H6  and segid S2 )
       (resid 10 and name  HN  and segid S2 )   4.50  0.50 1.00   ! H2O-data
 
assign (resid 10 and name  H6  and segid S2 )
       (resid 11 and name  HN  and segid S2 )   4.50  0.50 1.00   ! H2O-data
 
assign (resid 11 and name  H6  and segid S2 )
       (resid 11 and name  HN  and segid S2 )   3.20  0.40 0.70   ! H2O-data
 
assign (resid 11 and name  H6  and segid S2 )
       (resid 12 and name  HN  and segid S2 )   4.50  0.50 1.00   ! H2O-data
 
assign (resid 12 and name  H8  and segid S2 )
       (resid 12 and name  HN  and segid S2 )   3.20  0.40 0.70   ! H2O-data
 
assign (resid 12 and name  H2  and segid S2 )
       (resid 13 and name  HN  and segid S2 )   4.50  0.50 1.20   ! H2O-data
 
assign (resid 13 and name  H6  and segid S2 )
       (resid 13 and name  HN  and segid S2 )   3.20  0.40 0.70   ! H2O-data
 
assign (resid 14 and name  H8  and segid S2 )
       (resid 14 and name  HN  and segid S2 )   3.70  0.40 0.80   ! H2O-data
 
assign (resid 15 and name  H6  and segid S2 )
       (resid 15 and name  HN  and segid S2 )   4.50  0.50 1.00   ! H2O-data
 
assign (resid 16 and name  H6  and segid S2 )
       (resid 16 and name  HN  and segid S2 )   3.70  0.40 0.80   ! H2O-data
 
!! amide-methylene
 
assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HD1 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HD2 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HD1 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HD2 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HD1 and segid S2 )   2.40  0.40 1.20   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HD2 and segid S2 )   2.40  0.40 1.20   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HD1 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HD2 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HD1 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HD2 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HD1 and segid S2 )   2.40  0.40 1.20   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HD2 and segid S2 )   2.40  0.40 1.20   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HD1 and segid S2 )   2.40  0.40 1.00   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HD2 and segid S2 )   2.40  0.40 1.00   ! H2O-data

assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HG1 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HG2 and segid S2 )   3.00  0.50 1.20   ! H2O-data
 
assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 10 and name  HN  and segid S2 )
       (resid 10 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 11 and name  HN  and segid S2 )
       (resid 11 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 12 and name  HN  and segid S2 )
       (resid 12 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 13 and name  HN  and segid S2 )
       (resid 13 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 14 and name  HN  and segid S2 )
       (resid 14 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 15 and name  HN  and segid S2 )
       (resid 15 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HB1 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
assign (resid 16 and name  HN  and segid S2 )
       (resid 16 and name  HB2 and segid S2 )   4.00  1.00 1.50   ! H2O-data
 
!! imino restrts...

assign  (resid  7 and name  H1  and segid S1 )
       ((resid 11 and name  HB1 and segid S2 ) or
        (resid 11 and name  HB2 and segid S2 ))  3.00  1.00 2.00   ! H2O-data

assign  (resid 11 and name  H3  and segid S2 )
       ((resid 12 and name  HB1 and segid S2 ) or
        (resid 12 and name  HB2 and segid S2 ))  3.00  1.00 2.00   ! H2O-data

assign  (resid  5 and name  H3  and segid S1 )
        (resid 13 and name  HB1 and segid S2 )   3.00  1.00 2.00   ! H2O-data

assign  (resid  5 and name  H3  and segid S1 )
        (resid 13 and name  HB2 and segid S2 )   3.00  1.00 2.00   ! H2O-data

assign  (resid 13 and name  H3  and segid S2 )
        (resid 14 and name  HB1 and segid S2 )   3.00  1.00 2.00   ! H2O-data

assign  (resid 13 and name  H3  and segid S2 )
        (resid 14 and name  HB2 and segid S2 )   3.00  1.00 2.00   ! H2O-data

assign  (resid 14 and name  H1  and segid S2 )
        (resid 15 and name  HB2 and segid S2 )   3.00  1.00 2.00   ! H2O-data

assign  (resid 15 and name  H3  and segid S2 )
       ((resid 16 and name  HB1 and segid S2 ) or
        (resid 16 and name  HB2 and segid S2 ))  3.00  1.00 2.00   ! H2O-data


set echo=true end



remarks  Backbone dihedral restraints for pd235
remarks  delta angles, loosely........94-07-25...me

REStraints DIHEdral reset
! constraints dihedral reset

assign ( resid  9 and name  CA2 and segid S2 )
       ( resid  9 and name  NB  and segid S2 )
       ( resid  9 and name  CA  and segid S2 )
       ( resid  9 and name  OA  and segid S2 )  $9  0.00  2.00  2

assign ( resid  9 and name  CG  and segid S2 )
       ( resid  9 and name  NB  and segid S2 )
       ( resid  9 and name  CA  and segid S2 )
       ( resid  9 and name  OA  and segid S2 )  $9  180.00  2.00  2


assign ( resid  9 and name  CA2 and segid S2 )
       ( resid  9 and name  C   and segid S2 )
       ( resid 10 and name  N   and segid S2 )
       ( resid 10 and name  CD  and segid S2 )  $9  180.00  2.00  2

assign ( resid  9 and name  CA2 and segid S2 )
       ( resid  9 and name  C   and segid S2 )
       ( resid 10 and name  N   and segid S2 )
       ( resid 10 and name  HN  and segid S2 )  $9  0.00  2.00  2

assign ( resid  9 and name  O   and segid S2 )
       ( resid  9 and name  C   and segid S2 )
       ( resid 10 and name  N   and segid S2 )
       ( resid 10 and name  HN  and segid S2 )  $9  180.00  2.00  2

assign ( resid  9 and name  O   and segid S2 )
       ( resid  9 and name  C   and segid S2 )
       ( resid 10 and name  N   and segid S2 )
       ( resid 10 and name  CD  and segid S2 )  $9  0.00  2.00  2


assign ( resid 10 and name  CA2 and segid S2 )
       ( resid 10 and name  NB  and segid S2 )
       ( resid 10 and name  CA  and segid S2 )
       ( resid 10 and name  OA  and segid S2 )  $9  0.00  2.00  2

assign ( resid 10 and name  CG  and segid S2 )
       ( resid 10 and name  NB  and segid S2 )
       ( resid 10 and name  CA  and segid S2 )
       ( resid 10 and name  OA  and segid S2 )  $9  180.00  2.00  2


assign ( resid 10 and name  CA2 and segid S2 )
       ( resid 10 and name  C   and segid S2 )
       ( resid 11 and name  N   and segid S2 )
       ( resid 11 and name  CD  and segid S2 )  $9  180.00  2.00  2

assign ( resid 10 and name  CA2 and segid S2 )
       ( resid 10 and name  C   and segid S2 )
       ( resid 11 and name  N   and segid S2 )
       ( resid 11 and name  HN  and segid S2 )  $9  0.00  2.00  2

assign ( resid 10 and name  O   and segid S2 )
       ( resid 10 and name  C   and segid S2 )
       ( resid 11 and name  N   and segid S2 )
       ( resid 11 and name  HN  and segid S2 )  $9  180.00  2.00  2

assign ( resid 10 and name  O   and segid S2 )
       ( resid 10 and name  C   and segid S2 )
       ( resid 11 and name  N   and segid S2 )
       ( resid 11 and name  CD  and segid S2 )  $9  0.00  2.00  2


assign ( resid 11 and name  CA2 and segid S2 )
       ( resid 11 and name  NB  and segid S2 )
       ( resid 11 and name  CA  and segid S2 )
       ( resid 11 and name  OA  and segid S2 )  $9  0.00  2.00  2

assign ( resid 11 and name  CG  and segid S2 )
       ( resid 11 and name  NB  and segid S2 )
       ( resid 11 and name  CA  and segid S2 )
       ( resid 11 and name  OA  and segid S2 )  $9  180.00  2.00  2


assign ( resid 11 and name  CA2 and segid S2 )
       ( resid 11 and name  C   and segid S2 )
       ( resid 12 and name  N   and segid S2 )
       ( resid 12 and name  CD  and segid S2 )  $9  180.00  2.00  2

assign ( resid 11 and name  CA2 and segid S2 )
       ( resid 11 and name  C   and segid S2 )
       ( resid 12 and name  N   and segid S2 )
       ( resid 12 and name  HN  and segid S2 )  $9  0.00  2.00  2

assign ( resid 11 and name  O   and segid S2 )
       ( resid 11 and name  C   and segid S2 )
       ( resid 12 and name  N   and segid S2 )
       ( resid 12 and name  HN  and segid S2 )  $9  180.00  2.00  2

assign ( resid 11 and name  O   and segid S2 )
       ( resid 11 and name  C   and segid S2 )
       ( resid 12 and name  N   and segid S2 )
       ( resid 12 and name  CD  and segid S2 )  $9  0.00  2.00  2


assign ( resid 12 and name  CA2 and segid S2 )
       ( resid 12 and name  NB  and segid S2 )
       ( resid 12 and name  CA  and segid S2 )
       ( resid 12 and name  OA  and segid S2 )  $9  0.00  2.00  2

assign ( resid 12 and name  CG  and segid S2 )
       ( resid 12 and name  NB  and segid S2 )
       ( resid 12 and name  CA  and segid S2 )
       ( resid 12 and name  OA  and segid S2 )  $9  180.00  2.00  2


assign ( resid 12 and name  CA2 and segid S2 )
       ( resid 12 and name  C   and segid S2 )
       ( resid 13 and name  N   and segid S2 )
       ( resid 13 and name  CD  and segid S2 )  $9  180.00  2.00  2

assign ( resid 12 and name  CA2 and segid S2 )
       ( resid 12 and name  C   and segid S2 )
       ( resid 13 and name  N   and segid S2 )
       ( resid 13 and name  HN  and segid S2 )  $9  0.00  2.00  2

assign ( resid 12 and name  O   and segid S2 )
       ( resid 12 and name  C   and segid S2 )
       ( resid 13 and name  N   and segid S2 )
       ( resid 13 and name  HN  and segid S2 )  $9  180.00  2.00  2

assign ( resid 12 and name  O   and segid S2 )
       ( resid 12 and name  C   and segid S2 )
       ( resid 13 and name  N   and segid S2 )
       ( resid 13 and name  CD  and segid S2 )  $9  0.00  2.00  2


assign ( resid 13 and name  CA2 and segid S2 )
       ( resid 13 and name  NB  and segid S2 )
       ( resid 13 and name  CA  and segid S2 )
       ( resid 13 and name  OA  and segid S2 )  $9  0.00  2.00  2

assign ( resid 13 and name  CG  and segid S2 )
       ( resid 13 and name  NB  and segid S2 )
       ( resid 13 and name  CA  and segid S2 )
       ( resid 13 and name  OA  and segid S2 )  $9  180.00  2.00  2


assign ( resid 13 and name  CA2 and segid S2 )
       ( resid 13 and name  C   and segid S2 )
       ( resid 14 and name  N   and segid S2 )
       ( resid 14 and name  CD  and segid S2 )  $9  180.00  2.00  2

assign ( resid 13 and name  CA2 and segid S2 )
       ( resid 13 and name  C   and segid S2 )
       ( resid 14 and name  N   and segid S2 )
       ( resid 14 and name  HN  and segid S2 )  $9  0.00  2.00  2

assign ( resid 13 and name  O   and segid S2 )
       ( resid 13 and name  C   and segid S2 )
       ( resid 14 and name  N   and segid S2 )
       ( resid 14 and name  HN  and segid S2 )  $9  180.00  2.00  2

assign ( resid 13 and name  O   and segid S2 )
       ( resid 13 and name  C   and segid S2 )
       ( resid 14 and name  N   and segid S2 )
       ( resid 14 and name  CD  and segid S2 )  $9  0.00  2.00  2


assign ( resid 14 and name  CA2 and segid S2 )
       ( resid 14 and name  NB  and segid S2 )
       ( resid 14 and name  CA  and segid S2 )
       ( resid 14 and name  OA  and segid S2 )  $9  0.00  2.00  2

assign ( resid 14 and name  CG  and segid S2 )
       ( resid 14 and name  NB  and segid S2 )
       ( resid 14 and name  CA  and segid S2 )
       ( resid 14 and name  OA  and segid S2 )  $9  180.00  2.00  2


assign ( resid 14 and name  CA2 and segid S2 )
       ( resid 14 and name  C   and segid S2 )
       ( resid 15 and name  N   and segid S2 )
       ( resid 15 and name  CD  and segid S2 )  $9  180.00  2.00  2

assign ( resid 14 and name  CA2 and segid S2 )
       ( resid 14 and name  C   and segid S2 )
       ( resid 15 and name  N   and segid S2 )
       ( resid 15 and name  HN  and segid S2 )  $9  0.00  2.00  2

assign ( resid 14 and name  O   and segid S2 )
       ( resid 14 and name  C   and segid S2 )
       ( resid 15 and name  N   and segid S2 )
       ( resid 15 and name  HN  and segid S2 )  $9  180.00  2.00  2

assign ( resid 14 and name  O   and segid S2 )
       ( resid 14 and name  C   and segid S2 )
       ( resid 15 and name  N   and segid S2 )
       ( resid 15 and name  CD  and segid S2 )  $9  0.00  2.00  2


assign ( resid 15 and name  CA2 and segid S2 )
       ( resid 15 and name  NB  and segid S2 )
       ( resid 15 and name  CA  and segid S2 )
       ( resid 15 and name  OA  and segid S2 )  $9  0.00  2.00  2

assign ( resid 15 and name  CG  and segid S2 )
       ( resid 15 and name  NB  and segid S2 )
       ( resid 15 and name  CA  and segid S2 )
       ( resid 15 and name  OA  and segid S2 )  $9  180.00  2.00  2


assign ( resid 15 and name  CA2 and segid S2 )
       ( resid 15 and name  C   and segid S2 )
       ( resid 16 and name  N   and segid S2 )
       ( resid 16 and name  CD  and segid S2 )  $9  180.00  2.00  2

assign ( resid 15 and name  CA2 and segid S2 )
       ( resid 15 and name  C   and segid S2 )
       ( resid 16 and name  N   and segid S2 )
       ( resid 16 and name  HN  and segid S2 )  $9  0.00  2.00  2

assign ( resid 15 and name  O   and segid S2 )
       ( resid 15 and name  C   and segid S2 )
       ( resid 16 and name  N   and segid S2 )
       ( resid 16 and name  HN  and segid S2 )  $9  180.00  2.00  2

assign ( resid 15 and name  O   and segid S2 )
       ( resid 15 and name  C   and segid S2 )
       ( resid 16 and name  N   and segid S2 )
       ( resid 16 and name  CD  and segid S2 )  $9  0.00  2.00  2


assign ( resid 16 and name  CA2 and segid S2 )
       ( resid 16 and name  NB  and segid S2 )
       ( resid 16 and name  CA  and segid S2 )
       ( resid 16 and name  OA  and segid S2 )  $9  0.00  2.00  2

assign ( resid 16 and name  CG  and segid S2 )
       ( resid 16 and name  NB  and segid S2 )
       ( resid 16 and name  CA  and segid S2 )
       ( resid 16 and name  OA  and segid S2 )  $9  180.00  2.00  2

scale=$9
end



################################################################################


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          H5''        G   1 -13.378 -10.841  -2.512
    2   2H5*    G   1           H5'        G   1 -12.993 -12.392  -3.287
    3    H4*    G   1           H4'        G   1 -12.127 -12.306  -0.982
    4    H3*    G   1           H3'        G   1 -11.434  -9.632  -1.678
    5   1H2*    G   1          H2''        G   1  -8.895 -10.290  -0.718
    6   2H2*    G   1           H2'        G   1  -9.306  -9.938  -2.420
    7    H1*    G   1           H1'        G   1  -8.826 -12.540  -1.063
    8    H8     G   1           H8         G   1  -9.493 -11.676  -4.795
    9    H1     G   1           H1         G   1  -3.408 -12.987  -3.347
   10   1H2     G   1           H21        G   1  -3.232 -13.458  -1.180
   11   2H2     G   1           H22        G   1  -4.563 -13.207  -0.070
   12    H5T    G   1           H5T        G   1 -11.050 -11.142  -4.071
   13   1H5*    A   2          H5''        A   2  -9.162 -10.780   3.030
   14   2H5*    A   2           H5'        A   2  -8.934 -11.863   1.643
   15    H4*    A   2           H4'        A   2  -6.953 -11.716   3.185
   16    H3*    A   2           H3'        A   2  -7.357  -8.867   2.646
   17   1H2*    A   2          H2''        A   2  -4.511  -9.210   2.649
   18   2H2*    A   2           H2'        A   2  -5.547  -8.478   1.391
   19    H1*    A   2           H1'        A   2  -4.337 -11.152   1.520
   20    H8     A   2           H8         A   2  -6.780  -9.400  -0.974
   21   1H6     A   2           H61        A   2  -1.935  -9.323  -4.792
   22   2H6     A   2           H62        A   2  -3.670  -9.134  -4.681
   23    H2     A   2           H2         A   2  -0.647 -11.283  -0.945
   24   1H5*    C   3          H5''        C   3  -3.327  -9.134   6.227
   25   2H5*    C   3           H5'        C   3  -3.480 -10.234   4.844
   26    H4*    C   3           H4'        C   3  -1.125  -9.537   5.331
   27    H3*    C   3           H3'        C   3  -2.366  -6.884   5.193
   28   1H2*    C   3          H2''        C   3   0.200  -6.592   3.938
   29   2H2*    C   3           H2'        C   3  -1.408  -6.153   3.294
   30    H1*    C   3           H1'        C   3   0.285  -8.490   2.726
   31   1H4     C   3           H41        C   3  -1.591  -6.646  -3.043
   32   2H4     C   3           H42        C   3  -3.267  -6.922  -2.621
   33    H5     C   3           H5         C   3  -3.948  -6.846  -0.250
   34    H6     C   3           H6         C   3  -3.239  -7.532   1.992
   35   1H5*    A   4          H5''        A   4   2.762  -6.108   6.626
   36   2H5*    A   4           H5'        A   4   2.629  -7.166   5.206
   37    H4*    A   4           H4'        A   4   4.538  -5.481   5.169
   38    H3*    A   4           H3'        A   4   2.348  -3.685   5.689
   39   1H2*    A   4          H2''        A   4   3.471  -2.260   3.556
   40   2H2*    A   4           H2'        A   4   1.878  -3.066   3.578
   41    H1*    A   4           H1'        A   4   4.461  -3.969   2.392
   42    H8     A   4           H8         A   4   0.684  -4.860   2.341
   43   1H6     A   4           H61        A   4   0.896  -3.050  -3.553
   44   2H6     A   4           H62        A   4  -0.082  -3.858  -2.348
   45    H2     A   4           H2         A   4   5.008  -2.612  -1.818
   46   1H5*    T   5          H5''        T   5   6.695  -1.144   4.592
   47   2H5*    T   5           H5'        T   5   6.006  -2.107   3.268
   48    H4*    T   5           H4'        T   5   7.359   0.083   2.744
   49    H3*    T   5           H3'        T   5   5.005   1.120   4.112
   50   1H2*    T   5          H2''        T   5   5.166   2.828   1.845
   51   2H2*    T   5           H2'        T   5   3.814   1.757   2.308
   52    H1*    T   5           H1'        T   5   5.967   1.368   0.304
   53    H3     T   5           H3         T   5   2.880   1.133  -2.897
   54   1H5M    T   5           H51        T   5  -0.083  -1.227  -0.247
   55   2H5M    T   5           H52        T   5   0.289  -0.385   1.278
   56   3H5M    T   5           H53        T   5   0.994  -1.987   0.953
   57    H6     T   5           H6         T   5   3.025  -0.519   1.615
   58   1H5*    A   6          H5''        A   6   8.362   4.390   1.772
   59   2H5*    A   6           H5'        A   6   7.589   2.912   1.164
   60    H4*    A   6           H4'        A   6   8.176   4.605  -0.611
   61    H3*    A   6           H3'        A   6   6.534   6.266   1.169
   62   1H2*    A   6          H2''        A   6   5.910   7.082  -1.531
   63   2H2*    A   6           H2'        A   6   4.803   6.631  -0.203
   64    H1*    A   6           H1'        A   6   5.727   5.074  -2.502
   65    H8     A   6           H8         A   6   3.673   3.903   0.581
   66   1H6     A   6           H61        A   6  -1.266   4.685  -3.062
   67   2H6     A   6           H62        A   6  -0.723   4.174  -1.478
   68    H2     A   6           H2         A   6   2.376   5.791  -5.418
   69   1H5*    G   7          H5''        G   7   8.704   7.973  -3.026
   70   2H5*    G   7           H5'        G   7   7.437   6.746  -3.238
   71    H4*    G   7           H4'        G   7   7.945   8.342  -5.207
   72    H3*    G   7           H3'        G   7   6.998  10.185  -3.129
   73   1H2*    G   7          H2''        G   7   5.856  10.939  -5.725
   74   2H2*    G   7           H2'        G   7   5.105  10.941  -4.103
   75    H1*    G   7           H1'        G   7   4.692   9.073  -6.185
   76    H8     G   7           H8         G   7   4.640   8.461  -2.356
   77    H1     G   7           H1         G   7  -1.088   9.225  -5.110
   78   1H2     G   7           H21        G   7  -0.822   9.843  -7.217
   79   2H2     G   7           H22        G   7   0.755   9.993  -7.960
   80   1H5*    C   8          H5''        C   8   8.175  13.224  -7.430
   81   2H5*    C   8           H5'        C   8   7.510  11.583  -7.293
   82    H4*    C   8           H4'        C   8   6.320  12.952  -8.989
   83    H3*    C   8           H3'        C   8   6.256  14.842  -6.740
   84   1H2*    C   8          H2''        C   8   3.757  15.084  -8.200
   85   2H2*    C   8           H2'        C   8   4.042  14.999  -6.439
   86    H1*    C   8           H1'        C   8   3.097  12.937  -8.219
   87   1H4     C   8           H41        C   8   0.156  11.581  -2.783
   88   2H4     C   8           H42        C   8   1.631  11.757  -1.856
   89    H5     C   8           H5         C   8   3.641  12.749  -2.815
   90    H6     C   8           H6         C   8   4.821  13.191  -4.913
   91    H3T    C   8           H3T        C   8   7.053  15.264  -8.875
   92   1H1'  GPN   9           HN1      PGU   9  -9.706  16.009  -5.974
   93   2H1'  GPN   9           HN2      PGU   9  -9.879  17.462  -5.018
   94   1H2'  GPN   9           HD1      PGU   9  -7.543  17.788  -5.580
   95   2H2'  GPN   9           HD2      PGU   9  -8.825  18.260  -6.719
   96   1H3'  GPN   9           HG1      PGU   9  -6.552  16.731  -7.308
   97   2H3'  GPN   9           HG2      PGU   9  -7.991  16.929  -8.335
   98   1H5'  GPN   9          HA21      PGU   9  -9.883  14.271  -7.262
   99   2H5'  GPN   9          HA22      PGU   9  -9.489  15.316  -8.624
  100   1H8'  GPN   9           HB1      PGU   9  -6.445  15.760  -4.927
  101   2H8'  GPN   9           HB2      PGU   9  -5.426  15.454  -6.332
  102    H8   GPN   9           H8       PGU   9  -6.351  13.762  -2.981
  103    HN1  GPN   9           H1       PGU   9  -0.672  12.182  -5.468
  104   1HN2  GPN   9           H21      PGU   9  -0.495  12.992  -7.523
  105   2HN2  GPN   9           H22      PGU   9  -1.787  13.889  -8.292
  106   1H1'  CPN  10           HN       PCY  10  -9.055  12.064  -7.189
  107   1H2'  CPN  10           HD1      PCY  10  -9.325  10.602  -9.628
  108   2H2'  CPN  10           HD2      PCY  10  -8.267  10.079  -8.298
  109   1H3'  CPN  10           HG1      PCY  10  -6.593  11.850  -9.450
  110   2H3'  CPN  10           HG2      PCY  10  -7.562  11.436 -10.881
  111   1H5'  CPN  10          HA21      PCY  10  -7.519   9.417 -11.835
  112   2H5'  CPN  10          HA22      PCY  10  -7.341   8.021 -10.778
  113   1H8'  CPN  10           HB1      PCY  10  -6.086  11.022  -7.777
  114   2H8'  CPN  10           HB2      PCY  10  -4.426  11.077  -8.365
  115   1HN4  CPN  10           H41      PCY  10  -2.403   8.438  -2.968
  116   2HN4  CPN  10           H42      PCY  10  -4.030   7.949  -2.553
  117    H5   CPN  10           H5       PCY  10  -5.898   8.142  -4.095
  118    H6   CPN  10           H6       PCY  10  -6.658   9.116  -6.192
  119   1H1'  TPN  11           HN       PTH  11  -4.339   9.698 -11.202
  120   1H2'  TPN  11           HD1      PTH  11  -3.519   7.387 -13.072
  121   2H2'  TPN  11           HD2      PTH  11  -3.254   9.038 -13.670
  122   1H3'  TPN  11           HG1      PTH  11  -2.189   9.007 -11.039
  123   2H3'  TPN  11           HG2      PTH  11  -1.279   9.052 -12.564
  124   1H5'  TPN  11          HA21      PTH  11  -1.547   6.704 -13.799
  125   2H5'  TPN  11          HA22      PTH  11  -2.159   5.399 -12.786
  126   1H8'  TPN  11           HB1      PTH  11  -1.952   8.442  -9.488
  127   2H8'  TPN  11           HB2      PTH  11  -0.230   8.157  -9.222
  128    H6   TPN  11           H6       PTH  11  -3.595   7.092  -8.362
  129    HN3  TPN  11           H3       PTH  11  -0.063   5.800  -5.382
  130   1HM5  TPN  11           H51      PTH  11  -5.235   6.416  -6.868
  131   2HM5  TPN  11           H52      PTH  11  -4.808   6.007  -5.189
  132   3HM5  TPN  11           H53      PTH  11  -4.749   4.756  -6.453
  133   1H1'  APN  12           HN       PAD  12  -0.546   4.037 -11.579
  134   1H2'  APN  12           HD1      PAD  12   2.278   4.274 -12.783
  135   2H2'  APN  12           HD2      PAD  12   1.392   2.758 -13.071
  136   1H3'  APN  12           HG1      PAD  12   1.860   2.019 -10.973
  137   2H3'  APN  12           HG2      PAD  12   1.243   3.520 -10.249
  138   1H5'  APN  12          HA21      PAD  12   5.100   3.912 -11.742
  139   2H5'  APN  12          HA22      PAD  12   4.012   2.767 -12.521
  140   1H8'  APN  12           HB1      PAD  12   1.729   5.383  -9.456
  141   2H8'  APN  12           HB2      PAD  12   2.852   5.619  -8.123
  142    H8   APN  12           H8       PAD  12  -0.321   3.935  -8.890
  143   1HN6  APN  12           H61      PAD  12   0.418   0.589  -3.785
  144   2HN6  APN  12           H62      PAD  12  -0.735   1.202  -4.948
  145    H21  APN  12           H2       PAD  12   4.300   2.715  -4.598
  146   1H1'  TPN  13           HN       PTH  13   6.089   3.053  -9.539
  147   1H2'  TPN  13           HD1      PTH  13   7.695   0.736 -10.338
  148   2H2'  TPN  13           HD2      PTH  13   6.383   0.099  -9.325
  149   1H3'  TPN  13           HG1      PTH  13   7.156   2.158  -7.744
  150   2H3'  TPN  13           HG2      PTH  13   8.689   1.863  -8.593
  151   1H5'  TPN  13          HA21      PTH  13   9.992  -0.182  -6.962
  152   2H5'  TPN  13          HA22      PTH  13   9.602  -0.331  -8.669
  153   1H8'  TPN  13           HB1      PTH  13   5.631   1.248  -7.221
  154   2H8'  TPN  13           HB2      PTH  13   6.012   1.438  -5.512
  155    H6   TPN  13           H6       PTH  13   3.545   0.692  -7.673
  156    HN3  TPN  13           H3       PTH  13   3.345  -2.029  -3.732
  157   1HM5  TPN  13           H51      PTH  13   1.515   0.036  -8.397
  158   2HM5  TPN  13           H52      PTH  13   0.353  -0.174  -7.064
  159   3HM5  TPN  13           H53      PTH  13   0.999  -1.597  -7.918
  160   1H1'  GPN  14           HN       PGU  14   7.170  -2.224  -7.514
  161   1H2'  GPN  14           HD1      PGU  14   8.927  -4.679  -7.902
  162   2H2'  GPN  14           HD2      PGU  14   7.180  -4.669  -7.546
  163   1H3'  GPN  14           HG1      PGU  14   7.925  -3.763  -5.197
  164   2H3'  GPN  14           HG2      PGU  14   9.522  -4.413  -5.635
  165   1H5'  GPN  14          HA21      PGU  14   9.950  -6.619  -5.572
  166   2H5'  GPN  14          HA22      PGU  14   8.783  -7.424  -6.618
  167   1H8'  GPN  14           HB1      PGU  14   6.118  -4.079  -5.432
  168   2H8'  GPN  14           HB2      PGU  14   6.103  -4.468  -3.713
  169    H8   GPN  14           H8       PGU  14   3.858  -4.024  -6.572
  170    HN1  GPN  14           H1       PGU  14   1.032  -7.022  -1.689
  171   1HN2  GPN  14           H21      PGU  14   2.533  -7.472  -0.119
  172   2HN2  GPN  14           H22      PGU  14   4.246  -7.208  -0.356
  173   1H1'  TPN  15           HN       PTH  15   7.869  -9.328  -6.028
  174   1H2'  TPN  15           HD1      PTH  15   9.115 -10.690  -3.658
  175   2H2'  TPN  15           HD2      PTH  15   7.778 -11.314  -4.655
  176   1H3'  TPN  15           HG1      PTH  15   6.689  -9.136  -3.228
  177   2H3'  TPN  15           HG2      PTH  15   7.670 -10.021  -2.034
  178   1H5'  TPN  15          HA21      PTH  15   7.507 -12.552  -2.200
  179   2H5'  TPN  15          HA22      PTH  15   6.458 -13.158  -3.484
  180   1H8'  TPN  15           HB1      PTH  15   5.163  -8.907  -3.983
  181   2H8'  TPN  15           HB2      PTH  15   4.400  -8.924  -2.394
  182    H6   TPN  15           H6       PTH  15   3.973  -8.469  -5.782
  183    HN3  TPN  15           H3       PTH  15  -0.069  -9.653  -3.467
  184   1HM5  TPN  15           H51      PTH  15   1.010  -7.417  -7.497
  185   2HM5  TPN  15           H52      PTH  15   1.735  -8.950  -8.039
  186   3HM5  TPN  15           H53      PTH  15   2.780  -7.584  -7.580
  187   1H1'  CPN  16           HN       PCY  16   4.672 -11.491  -1.096
  188   1H2'  CPN  16           HD1      PCY  16   4.288 -13.236   1.094
  189   2H2'  CPN  16           HD2      PCY  16   3.464 -14.126  -0.216
  190   1H3'  CPN  16           HG1      PCY  16   2.452 -11.696  -0.710
  191   2H3'  CPN  16           HG2      PCY  16   2.770 -11.495   1.029
  192   1H5'  CPN  16          HA21      PCY  16   1.665 -12.925   2.635
  193   2H5'  CPN  16          HA22      PCY  16   0.281 -13.897   2.131
  194   1H8'  CPN  16           HB1      PCY  16   1.333 -14.834  -2.107
  195   2H8'  CPN  16           HB2      PCY  16   2.252 -13.359  -1.842
  196   1HN4  CPN  16           H41      PCY  16  -2.713 -12.090  -6.132
  197   2HN4  CPN  16           H42      PCY  16  -1.236 -11.640  -6.956
  198    H5   CPN  16           H5       PCY  16   0.944 -11.881  -5.964
  199    H6   CPN  16           H6       PCY  16   2.180 -12.478  -3.950
  200   1HN   NH2  17           HN3      PCY  16  -1.511 -10.710   3.233
  201   2HN   NH2  17           HN4      PCY  16  -1.538 -12.424   3.574
   
  Start of MODEL    2
    1   1H5*    G   1          H5''        G   1 -12.562 -13.940  -3.057
    2   2H5*    G   1           H5'        G   1 -11.802 -12.456  -3.666
    3    H4*    G   1           H4'        G   1 -11.806 -13.385  -0.769
    4    H3*    G   1           H3'        G   1 -11.418 -10.788  -1.877
    5   1H2*    G   1          H2''        G   1  -8.857 -10.960  -0.780
    6   2H2*    G   1           H2'        G   1  -9.244 -10.948  -2.524
    7    H1*    G   1           H1'        G   1  -8.523 -13.212  -0.735
    8    H8     G   1           H8         G   1  -9.087 -13.085  -4.575
    9    H1     G   1           H1         G   1  -2.968 -13.084  -2.715
   10   1H2     G   1           H21        G   1  -2.864 -13.091  -0.491
   11   2H2     G   1           H22        G   1  -4.298 -12.984   0.508
   12    H5T    G   1           H5T        G   1 -13.257 -11.577  -1.782
   13   1H5*    A   2          H5''        A   2  -9.313 -11.097   3.007
   14   2H5*    A   2           H5'        A   2  -8.766 -12.301   1.825
   15    H4*    A   2           H4'        A   2  -7.029 -11.680   3.524
   16    H3*    A   2           H3'        A   2  -7.803  -9.012   2.682
   17   1H2*    A   2          H2''        A   2  -4.973  -8.773   2.772
   18   2H2*    A   2           H2'        A   2  -6.055  -8.487   1.379
   19    H1*    A   2           H1'        A   2  -4.343 -10.801   2.009
   20    H8     A   2           H8         A   2  -6.822 -10.170  -0.921
   21   1H6     A   2           H61        A   2  -1.727  -9.668  -4.375
   22   2H6     A   2           H62        A   2  -3.466  -9.859  -4.402
   23    H2     A   2           H2         A   2  -0.452 -10.115  -0.091
   24   1H5*    C   3          H5''        C   3  -3.893  -8.381   6.329
   25   2H5*    C   3           H5'        C   3  -3.715  -9.551   5.007
   26    H4*    C   3           H4'        C   3  -1.592  -8.358   5.614
   27    H3*    C   3           H3'        C   3  -3.322  -6.032   5.243
   28   1H2*    C   3          H2''        C   3  -0.851  -5.236   4.061
   29   2H2*    C   3           H2'        C   3  -2.470  -5.271   3.302
   30    H1*    C   3           H1'        C   3  -0.215  -7.163   3.081
   31   1H4     C   3           H41        C   3  -1.718  -6.484  -3.015
   32   2H4     C   3           H42        C   3  -3.405  -6.832  -2.698
   33    H5     C   3           H5         C   3  -4.329  -6.740  -0.433
   34    H6     C   3           H6         C   3  -3.760  -7.037   1.928
   35   1H5*    A   4          H5''        A   4   1.704  -4.636   6.576
   36   2H5*    A   4           H5'        A   4   1.371  -5.885   5.360
   37    H4*    A   4           H4'        A   4   3.397  -4.488   4.868
   38    H3*    A   4           H3'        A   4   1.535  -2.348   5.400
   39   1H2*    A   4          H2''        A   4   2.649  -1.332   3.026
   40   2H2*    A   4           H2'        A   4   0.957  -1.832   3.291
   41    H1*    A   4           H1'        A   4   3.185  -3.275   1.944
   42    H8     A   4           H8         A   4  -0.651  -3.538   2.460
   43   1H6     A   4           H61        A   4  -0.996  -2.457  -3.616
   44   2H6     A   4           H62        A   4  -1.920  -2.853  -2.183
   45    H2     A   4           H2         A   4   3.332  -2.492  -2.447
   46   1H5*    T   5          H5''        T   5   6.228  -1.219   3.734
   47   2H5*    T   5           H5'        T   5   5.037  -2.185   2.839
   48    H4*    T   5           H4'        T   5   6.933  -1.089   1.488
   49    H3*    T   5           H3'        T   5   5.792   1.262   2.705
   50   1H2*    T   5          H2''        T   5   5.804   2.189   0.075
   51   2H2*    T   5           H2'        T   5   4.352   1.814   1.047
   52    H1*    T   5           H1'        T   5   5.747   0.162  -1.028
   53    H3     T   5           H3         T   5   2.371   1.043  -3.788
   54   1H5M    T   5           H51        T   5   0.091  -0.827   0.618
   55   2H5M    T   5           H52        T   5  -0.824   0.152  -0.556
   56   3H5M    T   5           H53        T   5   0.025   0.942   0.795
   57    H6     T   5           H6         T   5   2.572  -0.140   0.866
   58   1H5*    A   6          H5''        A   6   8.788   2.000  -1.754
   59   2H5*    A   6           H5'        A   6   7.212   2.264  -0.989
   60    H4*    A   6           H4'        A   6   9.038   4.304  -2.290
   61    H3*    A   6           H3'        A   6   7.121   4.683  -0.081
   62   1H2*    A   6          H2''        A   6   6.783   6.830  -2.018
   63   2H2*    A   6           H2'        A   6   5.552   5.857  -1.166
   64    H1*    A   6           H1'        A   6   6.477   5.632  -3.882
   65    H8     A   6           H8         A   6   4.590   3.261  -1.414
   66   1H6     A   6           H61        A   6  -0.426   4.764  -4.691
   67   2H6     A   6           H62        A   6   0.186   3.773  -3.384
   68    H2     A   6           H2         A   6   3.104   6.755  -6.594
   69   1H5*    G   7          H5''        G   7   9.520   9.238  -1.887
   70   2H5*    G   7           H5'        G   7   9.097   7.735  -2.728
   71    H4*    G   7           H4'        G   7   8.770   9.775  -4.124
   72    H3*    G   7           H3'        G   7   7.105  10.527  -1.782
   73   1H2*    G   7          H2''        G   7   6.085  11.670  -4.283
   74   2H2*    G   7           H2'        G   7   5.204  10.939  -2.915
   75    H1*    G   7           H1'        G   7   5.871   9.761  -5.455
   76    H8     G   7           H8         G   7   5.012   8.179  -2.031
   77    H1     G   7           H1         G   7   0.031   9.195  -5.907
   78   1H2     G   7           H21        G   7   0.729  10.226  -7.747
   79   2H2     G   7           H22        G   7   2.421  10.552  -8.052
   80   1H5*    C   8          H5''        C   8   7.752  13.976  -6.678
   81   2H5*    C   8           H5'        C   8   7.028  12.393  -7.021
   82    H4*    C   8           H4'        C   8   5.601  14.288  -7.759
   83    H3*    C   8           H3'        C   8   6.029  15.117  -4.949
   84   1H2*    C   8          H2''        C   8   3.394  15.956  -5.871
   85   2H2*    C   8           H2'        C   8   3.872  15.198  -4.326
   86    H1*    C   8           H1'        C   8   2.644  13.984  -6.659
   87   1H4     C   8           H41        C   8   0.144  10.468  -2.013
   88   2H4     C   8           H42        C   8   1.643  10.481  -1.110
   89    H5     C   8           H5         C   8   3.493  11.938  -1.704
   90    H6     C   8           H6         C   8   4.524  13.174  -3.545
   91    H3T    C   8           H3T        C   8   6.082  17.012  -5.906
   92   1H1'  GPN   9           HN1      PGU   9 -10.962  12.210  -2.887
   93   2H1'  GPN   9           HN2      PGU   9  -9.929  11.953  -4.275
   94   1H2'  GPN   9           HD1      PGU   9  -9.682  14.220  -2.669
   95   2H2'  GPN   9           HD2      PGU   9 -11.066  14.227  -3.786
   96   1H3'  GPN   9           HG1      PGU   9  -8.324  14.916  -4.321
   97   2H3'  GPN   9           HG2      PGU   9  -9.721  14.979  -5.420
   98   1H5'  GPN   9          HA21      PGU   9 -10.046  13.485  -7.014
   99   2H5'  GPN   9          HA22      PGU   9  -9.721  11.792  -6.640
  100   1H8'  GPN   9           HB1      PGU   9  -7.614  13.068  -3.002
  101   2H8'  GPN   9           HB2      PGU   9  -6.419  13.928  -3.969
  102    H8   GPN   9           H8       PGU   9  -6.740  10.983  -1.640
  103    HN1  GPN   9           H1       PGU   9  -0.909  11.692  -4.176
  104   1HN2  GPN   9           H21      PGU   9  -0.996  13.057  -5.920
  105   2HN2  GPN   9           H22      PGU   9  -2.501  13.737  -6.502
  106   1H1'  CPN  10           HN       PCY  10  -6.953  13.872  -7.129
  107   1H2'  CPN  10           HD1      PCY  10  -5.275  13.567  -8.814
  108   2H2'  CPN  10           HD2      PCY  10  -6.600  13.834  -9.973
  109   1H3'  CPN  10           HG1      PCY  10  -7.003  11.475 -10.183
  110   2H3'  CPN  10           HG2      PCY  10  -5.971  11.100  -8.788
  111   1H5'  CPN  10          HA21      PCY  10  -4.821  12.556 -12.443
  112   2H5'  CPN  10          HA22      PCY  10  -6.241  11.546 -12.200
  113   1H8'  CPN  10           HB1      PCY  10  -4.190  12.314  -8.173
  114   2H8'  CPN  10           HB2      PCY  10  -2.473  12.250  -8.502
  115   1HN4  CPN  10           H41      PCY  10  -1.739   8.167  -4.028
  116   2HN4  CPN  10           H42      PCY  10  -3.470   8.005  -3.835
  117    H5   CPN  10           H5       PCY  10  -5.027   9.403  -5.130
  118    H6   CPN  10           H6       PCY  10  -5.348  10.485  -7.249
  119   1H1'  TPN  11           HN       PTH  11  -4.575   9.162 -11.310
  120   1H2'  TPN  11           HD1      PTH  11  -3.972   8.324 -14.191
  121   2H2'  TPN  11           HD2      PTH  11  -3.959   7.274 -12.755
  122   1H3'  TPN  11           HG1      PTH  11  -1.901   9.144 -12.300
  123   2H3'  TPN  11           HG2      PTH  11  -1.752   8.725 -14.021
  124   1H5'  TPN  11          HA21      PTH  11  -1.692   6.429 -14.693
  125   2H5'  TPN  11          HA22      PTH  11  -2.413   5.347 -13.505
  126   1H8'  TPN  11           HB1      PTH  11  -1.601   8.764 -10.687
  127   2H8'  TPN  11           HB2      PTH  11   0.115   8.391 -10.483
  128    H6   TPN  11           H6       PTH  11  -3.240   7.516  -9.376
  129    HN3  TPN  11           H3       PTH  11   0.412   6.295  -6.517
  130   1HM5  TPN  11           H51      PTH  11  -4.170   5.743  -6.239
  131   2HM5  TPN  11           H52      PTH  11  -4.507   5.520  -7.972
  132   3HM5  TPN  11           H53      PTH  11  -4.756   7.112  -7.215
  133   1H1'  APN  12           HN       PAD  12   0.923   6.544 -13.064
  134   1H2'  APN  12           HD1      PAD  12   2.934   5.250 -13.646
  135   2H2'  APN  12           HD2      PAD  12   1.944   3.891 -14.228
  136   1H3'  APN  12           HG1      PAD  12   1.757   2.958 -12.137
  137   2H3'  APN  12           HG2      PAD  12   1.685   4.542 -11.330
  138   1H5'  APN  12          HA21      PAD  12   5.369   3.950 -12.946
  139   2H5'  APN  12          HA22      PAD  12   4.051   3.000 -13.630
  140   1H8'  APN  12           HB1      PAD  12   2.563   5.664 -10.046
  141   2H8'  APN  12           HB2      PAD  12   3.748   5.349  -8.786
  142    H8   APN  12           H8       PAD  12   0.305   4.237  -9.923
  143   1HN6  APN  12           H61      PAD  12   0.183   1.173  -4.581
  144   2HN6  APN  12           H62      PAD  12  -0.731   1.579  -6.015
  145    H21  APN  12           H2       PAD  12   4.482   2.174  -5.504
  146   1H1'  TPN  13           HN       PTH  13   3.900   1.670 -10.804
  147   1H2'  TPN  13           HD1      PTH  13   6.071  -0.403 -11.583
  148   2H2'  TPN  13           HD2      PTH  13   4.593  -0.751 -10.658
  149   1H3'  TPN  13           HG1      PTH  13   5.629   0.924  -8.898
  150   2H3'  TPN  13           HG2      PTH  13   7.155   0.560  -9.741
  151   1H5'  TPN  13          HA21      PTH  13   8.182  -1.408  -9.562
  152   2H5'  TPN  13          HA22      PTH  13   7.097  -2.780  -9.778
  153   1H8'  TPN  13           HB1      PTH  13   3.927   0.056  -8.500
  154   2H8'  TPN  13           HB2      PTH  13   4.539   0.170  -6.857
  155    H6   TPN  13           H6       PTH  13   1.784  -0.338  -8.756
  156    HN3  TPN  13           H3       PTH  13   1.573  -2.256  -4.366
  157   1HM5  TPN  13           H51      PTH  13  -1.561  -0.458  -7.257
  158   2HM5  TPN  13           H52      PTH  13  -0.998  -1.276  -8.736
  159   3HM5  TPN  13           H53      PTH  13  -0.538   0.415  -8.423
  160   1H1'  GPN  14           HN       PGU  14   6.773  -4.306  -8.080
  161   1H2'  GPN  14           HD1      PGU  14   9.249  -4.978  -6.680
  162   2H2'  GPN  14           HD2      PGU  14   7.634  -5.552  -6.202
  163   1H3'  GPN  14           HG1      PGU  14   7.596  -2.978  -5.222
  164   2H3'  GPN  14           HG2      PGU  14   9.312  -3.405  -5.016
  165   1H5'  GPN  14          HA21      PGU  14   9.344  -4.547  -2.374
  166   2H5'  GPN  14          HA22      PGU  14   9.908  -5.432  -3.789
  167   1H8'  GPN  14           HB1      PGU  14   5.987  -3.895  -5.421
  168   2H8'  GPN  14           HB2      PGU  14   5.479  -3.113  -3.936
  169    H8   GPN  14           H8       PGU  14   3.821  -4.258  -6.652
  170    HN1  GPN  14           H1       PGU  14   0.780  -6.326  -1.425
  171   1HN2  GPN  14           H21      PGU  14   2.113  -6.117   0.347
  172   2HN2  GPN  14           H22      PGU  14   3.802  -5.681   0.197
  173   1H1'  TPN  15           HN       PTH  15   8.662  -7.594  -4.221
  174   1H2'  TPN  15           HD1      PTH  15   9.049  -9.242  -1.780
  175   2H2'  TPN  15           HD2      PTH  15   8.158  -9.744  -3.239
  176   1H3'  TPN  15           HG1      PTH  15   6.351  -8.024  -2.213
  177   2H3'  TPN  15           HG2      PTH  15   7.129  -8.519  -0.692
  178   1H5'  TPN  15          HA21      PTH  15   7.763 -11.083  -0.807
  179   2H5'  TPN  15          HA22      PTH  15   7.057 -11.956  -2.167
  180   1H8'  TPN  15           HB1      PTH  15   4.911  -8.168  -3.093
  181   2H8'  TPN  15           HB2      PTH  15   3.942  -8.313  -1.627
  182    H6   TPN  15           H6       PTH  15   4.023  -8.407  -5.147
  183    HN3  TPN  15           H3       PTH  15  -0.142  -9.675  -3.130
  184   1HM5  TPN  15           H51      PTH  15   2.931  -9.200  -7.401
  185   2HM5  TPN  15           H52      PTH  15   2.305  -7.548  -7.189
  186   3HM5  TPN  15           H53      PTH  15   1.180  -8.892  -7.498
  187   1H1'  CPN  16           HN       PCY  16   4.498 -10.878  -0.094
  188   1H2'  CPN  16           HD1      PCY  16   3.150 -12.256   1.338
  189   2H2'  CPN  16           HD2      PCY  16   4.657 -12.926   2.014
  190   1H3'  CPN  16           HG1      PCY  16   4.530 -14.817   0.738
  191   2H3'  CPN  16           HG2      PCY  16   3.937 -13.935  -0.686
  192   1H5'  CPN  16          HA21      PCY  16   3.073 -16.330   1.566
  193   2H5'  CPN  16          HA22      PCY  16   1.332 -16.213   1.331
  194   1H8'  CPN  16           HB1      PCY  16   2.650 -12.727  -1.101
  195   2H8'  CPN  16           HB2      PCY  16   1.314 -11.886  -0.328
  196   1HN4  CPN  16           H41      PCY  16  -2.192 -12.774  -5.643
  197   2HN4  CPN  16           H42      PCY  16  -0.720 -12.389  -6.506
  198    H5   CPN  16           H5       PCY  16   1.450 -12.359  -5.432
  199    H6   CPN  16           H6       PCY  16   2.644 -12.574  -3.307
  200   1HN   NH2  17           HN3      PCY  16   2.810 -17.068   3.719
  201   2HN   NH2  17           HN4      PCY  16   2.760 -15.810   4.933
   
  Start of MODEL    3
    1   1H5*    G   1          H5''        G   1 -13.349 -10.635  -2.491
    2   2H5*    G   1           H5'        G   1 -12.991 -12.172  -3.304
    3    H4*    G   1           H4'        G   1 -12.123 -12.167  -1.003
    4    H3*    G   1           H3'        G   1 -11.398  -9.482  -1.612
    5   1H2*    G   1          H2''        G   1  -8.868 -10.195  -0.671
    6   2H2*    G   1           H2'        G   1  -9.274  -9.792  -2.363
    7    H1*    G   1           H1'        G   1  -8.832 -12.436  -1.076
    8    H8     G   1           H8         G   1  -9.457 -11.457  -4.787
    9    H1     G   1           H1         G   1  -3.409 -12.926  -3.327
   10   1H2     G   1           H21        G   1  -3.254 -13.403  -1.157
   11   2H2     G   1           H22        G   1  -4.601 -13.181  -0.060
   12    H5T    G   1           H5T        G   1 -11.031 -10.945  -4.066
   13   1H5*    A   2          H5''        A   2  -9.144 -10.806   3.067
   14   2H5*    A   2           H5'        A   2  -8.894 -11.871   1.669
   15    H4*    A   2           H4'        A   2  -6.934 -11.735   3.242
   16    H3*    A   2           H3'        A   2  -7.341  -8.883   2.728
   17   1H2*    A   2          H2''        A   2  -4.493  -9.216   2.751
   18   2H2*    A   2           H2'        A   2  -5.521  -8.468   1.495
   19    H1*    A   2           H1'        A   2  -4.295 -11.134   1.587
   20    H8     A   2           H8         A   2  -6.758  -9.346  -0.862
   21   1H6     A   2           H61        A   2  -1.969  -9.310  -4.756
   22   2H6     A   2           H62        A   2  -3.701  -9.107  -4.620
   23    H2     A   2           H2         A   2  -0.642 -11.289  -0.940
   24   1H5*    C   3          H5''        C   3  -3.289  -9.197   6.245
   25   2H5*    C   3           H5'        C   3  -3.464 -10.252   4.829
   26    H4*    C   3           H4'        C   3  -1.102  -9.535   5.305
   27    H3*    C   3           H3'        C   3  -2.389  -6.897   5.195
   28   1H2*    C   3          H2''        C   3   0.186  -6.585   3.946
   29   2H2*    C   3           H2'        C   3  -1.423  -6.130   3.315
   30    H1*    C   3           H1'        C   3   0.260  -8.459   2.700
   31   1H4     C   3           H41        C   3  -1.668  -6.539  -3.021
   32   2H4     C   3           H42        C   3  -3.349  -6.726  -2.570
   33    H5     C   3           H5         C   3  -4.003  -6.760  -0.201
   34    H6     C   3           H6         C   3  -3.276  -7.498   2.016
   35   1H5*    A   4          H5''        A   4   2.719  -6.064   6.657
   36   2H5*    A   4           H5'        A   4   2.547  -7.139   5.255
   37    H4*    A   4           H4'        A   4   4.487  -5.498   5.164
   38    H3*    A   4           H3'        A   4   2.350  -3.644   5.702
   39   1H2*    A   4          H2''        A   4   3.466  -2.268   3.535
   40   2H2*    A   4           H2'        A   4   1.857  -3.043   3.588
   41    H1*    A   4           H1'        A   4   4.408  -4.011   2.383
   42    H8     A   4           H8         A   4   0.616  -4.825   2.373
   43   1H6     A   4           H61        A   4   0.795  -2.980  -3.510
   44   2H6     A   4           H62        A   4  -0.178  -3.805  -2.311
   45    H2     A   4           H2         A   4   4.932  -2.628  -1.817
   46   1H5*    T   5          H5''        T   5   6.754  -1.313   4.436
   47   2H5*    T   5           H5'        T   5   5.986  -2.265   3.148
   48    H4*    T   5           H4'        T   5   7.431  -0.172   2.529
   49    H3*    T   5           H3'        T   5   5.230   1.035   3.997
   50   1H2*    T   5          H2''        T   5   5.332   2.699   1.705
   51   2H2*    T   5           H2'        T   5   3.965   1.682   2.245
   52    H1*    T   5           H1'        T   5   6.011   1.193   0.149
   53    H3     T   5           H3         T   5   2.776   1.185  -2.906
   54   1H5M    T   5           H51        T   5  -0.167  -1.116  -0.174
   55   2H5M    T   5           H52        T   5   0.291  -0.318   1.349
   56   3H5M    T   5           H53        T   5   0.933  -1.932   0.966
   57    H6     T   5           H6         T   5   3.043  -0.568   1.561
   58   1H5*    A   6          H5''        A   6   8.586   4.179   1.443
   59   2H5*    A   6           H5'        A   6   7.761   2.746   0.797
   60    H4*    A   6           H4'        A   6   8.296   4.536  -0.908
   61    H3*    A   6           H3'        A   6   6.726   6.091   1.029
   62   1H2*    A   6          H2''        A   6   6.002   7.056  -1.598
   63   2H2*    A   6           H2'        A   6   4.946   6.537  -0.254
   64    H1*    A   6           H1'        A   6   5.777   5.105  -2.665
   65    H8     A   6           H8         A   6   3.821   3.819   0.444
   66   1H6     A   6           H61        A   6  -1.218   4.725  -3.040
   67   2H6     A   6           H62        A   6  -0.641   4.182  -1.479
   68    H2     A   6           H2         A   6   2.362   5.888  -5.454
   69   1H5*    G   7          H5''        G   7   8.778   8.017  -3.135
   70   2H5*    G   7           H5'        G   7   7.522   6.780  -3.339
   71    H4*    G   7           H4'        G   7   7.956   8.423  -5.286
   72    H3*    G   7           H3'        G   7   7.019  10.207  -3.146
   73   1H2*    G   7          H2''        G   7   5.852  10.996  -5.724
   74   2H2*    G   7           H2'        G   7   5.117  10.974  -4.096
   75    H1*    G   7           H1'        G   7   4.698   9.126  -6.197
   76    H8     G   7           H8         G   7   4.678   8.470  -2.375
   77    H1     G   7           H1         G   7  -1.077   9.229  -5.074
   78   1H2     G   7           H21        G   7  -0.833   9.873  -7.176
   79   2H2     G   7           H22        G   7   0.737  10.060  -7.925
   80   1H5*    C   8          H5''        C   8   8.158  13.293  -7.431
   81   2H5*    C   8           H5'        C   8   7.512  11.645  -7.285
   82    H4*    C   8           H4'        C   8   6.304  12.988  -8.987
   83    H3*    C   8           H3'        C   8   6.212  14.888  -6.744
   84   1H2*    C   8          H2''        C   8   3.726  15.092  -8.243
   85   2H2*    C   8           H2'        C   8   3.995  15.042  -6.478
   86    H1*    C   8           H1'        C   8   3.080  12.945  -8.216
   87   1H4     C   8           H41        C   8   0.187  11.576  -2.764
   88   2H4     C   8           H42        C   8   1.654  11.798  -1.837
   89    H5     C   8           H5         C   8   3.770  12.405  -2.858
   90    H6     C   8           H6         C   8   4.856  13.110  -4.936
   91    H3T    C   8           H3T        C   8   5.785  16.294  -8.526
   92   1H1'  GPN   9           HN1      PGU   9  -9.772  18.579  -6.159
   93   2H1'  GPN   9           HN2      PGU   9 -10.170  17.125  -7.045
   94   1H2'  GPN   9           HD1      PGU   9  -8.848  16.319  -5.250
   95   2H2'  GPN   9           HD2      PGU   9  -7.721  17.677  -5.485
   96   1H3'  GPN   9           HG1      PGU   9  -6.762  16.510  -7.128
   97   2H3'  GPN   9           HG2      PGU   9  -8.253  16.721  -8.077
   98   1H5'  GPN   9          HA21      PGU   9 -10.009  13.948  -7.150
   99   2H5'  GPN   9          HA22      PGU   9  -9.650  15.058  -8.471
  100   1H8'  GPN   9           HB1      PGU   9  -6.580  15.435  -4.801
  101   2H8'  GPN   9           HB2      PGU   9  -5.565  15.209  -6.223
  102    H8   GPN   9           H8       PGU   9  -6.435  13.340  -2.948
  103    HN1  GPN   9           H1       PGU   9  -0.656  12.172  -5.428
  104   1HN2  GPN   9           H21      PGU   9  -0.523  13.021  -7.472
  105   2HN2  GPN   9           H22      PGU   9  -1.830  13.936  -8.192
  106   1H1'  CPN  10           HN       PCY  10  -9.103  11.770  -7.165
  107   1H2'  CPN  10           HD1      PCY  10  -9.350  10.392  -9.659
  108   2H2'  CPN  10           HD2      PCY  10  -8.270   9.854  -8.354
  109   1H3'  CPN  10           HG1      PCY  10  -6.666  11.731  -9.448
  110   2H3'  CPN  10           HG2      PCY  10  -7.620  11.318 -10.891
  111   1H5'  CPN  10          HA21      PCY  10  -7.468   9.346 -11.919
  112   2H5'  CPN  10          HA22      PCY  10  -7.281   7.928 -10.892
  113   1H8'  CPN  10           HB1      PCY  10  -6.123  10.854  -7.785
  114   2H8'  CPN  10           HB2      PCY  10  -4.475  11.006  -8.380
  115   1HN4  CPN  10           H41      PCY  10  -2.355   8.410  -3.009
  116   2HN4  CPN  10           H42      PCY  10  -3.968   7.878  -2.590
  117    H5   CPN  10           H5       PCY  10  -5.903   8.276  -4.010
  118    H6   CPN  10           H6       PCY  10  -6.630   8.961  -6.231
  119   1H1'  TPN  11           HN       PTH  11  -4.304   9.688 -11.244
  120   1H2'  TPN  11           HD1      PTH  11  -3.414   7.427 -13.146
  121   2H2'  TPN  11           HD2      PTH  11  -3.172   9.096 -13.705
  122   1H3'  TPN  11           HG1      PTH  11  -2.143   9.037 -11.066
  123   2H3'  TPN  11           HG2      PTH  11  -1.210   9.113 -12.575
  124   1H5'  TPN  11          HA21      PTH  11  -1.419   6.777 -13.842
  125   2H5'  TPN  11          HA22      PTH  11  -2.055   5.462 -12.857
  126   1H8'  TPN  11           HB1      PTH  11  -1.920   8.459  -9.519
  127   2H8'  TPN  11           HB2      PTH  11  -0.194   8.208  -9.243
  128    H6   TPN  11           H6       PTH  11  -3.540   7.053  -8.421
  129    HN3  TPN  11           H3       PTH  11  -0.010   5.869  -5.397
  130   1HM5  TPN  11           H51      PTH  11  -4.610   4.657  -6.409
  131   2HM5  TPN  11           H52      PTH  11  -5.170   6.227  -7.031
  132   3HM5  TPN  11           H53      PTH  11  -4.802   6.034  -5.299
  133   1H1'  APN  12           HN       PAD  12  -0.467   4.083 -11.629
  134   1H2'  APN  12           HD1      PAD  12   2.379   4.325 -12.780
  135   2H2'  APN  12           HD2      PAD  12   1.496   2.814 -13.094
  136   1H3'  APN  12           HG1      PAD  12   1.928   2.058 -10.996
  137   2H3'  APN  12           HG2      PAD  12   1.300   3.552 -10.270
  138   1H5'  APN  12          HA21      PAD  12   5.182   3.948 -11.695
  139   2H5'  APN  12          HA22      PAD  12   4.108   2.804 -12.492
  140   1H8'  APN  12           HB1      PAD  12   1.775   5.417  -9.474
  141   2H8'  APN  12           HB2      PAD  12   2.870   5.654  -8.121
  142    H8   APN  12           H8       PAD  12  -0.297   3.997  -8.928
  143   1HN6  APN  12           H61      PAD  12   0.330   0.684  -3.781
  144   2HN6  APN  12           H62      PAD  12  -0.768   1.201  -5.042
  145    H21  APN  12           H2       PAD  12   4.263   2.702  -4.594
  146   1H1'  TPN  13           HN       PTH  13   6.150   3.087  -9.481
  147   1H2'  TPN  13           HD1      PTH  13   7.759   0.768 -10.275
  148   2H2'  TPN  13           HD2      PTH  13   6.440   0.133  -9.269
  149   1H3'  TPN  13           HG1      PTH  13   7.214   2.191  -7.682
  150   2H3'  TPN  13           HG2      PTH  13   8.750   1.888  -8.524
  151   1H5'  TPN  13          HA21      PTH  13  10.031  -0.185  -6.897
  152   2H5'  TPN  13          HA22      PTH  13   9.644  -0.314  -8.607
  153   1H8'  TPN  13           HB1      PTH  13   5.688   1.301  -7.143
  154   2H8'  TPN  13           HB2      PTH  13   6.081   1.490  -5.437
  155    H6   TPN  13           H6       PTH  13   3.614   0.733  -7.606
  156    HN3  TPN  13           H3       PTH  13   3.364  -1.897  -3.606
  157   1HM5  TPN  13           H51      PTH  13   1.306  -1.443  -8.093
  158   2HM5  TPN  13           H52      PTH  13   1.415   0.333  -8.122
  159   3HM5  TPN  13           H53      PTH  13   0.343  -0.474  -6.951
  160   1H1'  GPN  14           HN       PGU  14   7.182  -2.166  -7.515
  161   1H2'  GPN  14           HD1      PGU  14   8.890  -4.659  -7.883
  162   2H2'  GPN  14           HD2      PGU  14   7.137  -4.609  -7.558
  163   1H3'  GPN  14           HG1      PGU  14   7.846  -3.744  -5.191
  164   2H3'  GPN  14           HG2      PGU  14   9.446  -4.406  -5.599
  165   1H5'  GPN  14          HA21      PGU  14   9.844  -6.618  -5.603
  166   2H5'  GPN  14          HA22      PGU  14   8.641  -7.460  -6.575
  167   1H8'  GPN  14           HB1      PGU  14   6.027  -4.048  -5.512
  168   2H8'  GPN  14           HB2      PGU  14   6.012  -4.401  -3.787
  169    H8   GPN  14           H8       PGU  14   3.768  -4.005  -6.650
  170    HN1  GPN  14           H1       PGU  14   0.945  -6.927  -1.717
  171   1HN2  GPN  14           H21      PGU  14   2.455  -7.383  -0.156
  172   2HN2  GPN  14           H22      PGU  14   4.150  -6.994  -0.349
  173   1H1'  TPN  15           HN       PTH  15   7.813  -9.365  -5.898
  174   1H2'  TPN  15           HD1      PTH  15   9.073 -10.570  -3.449
  175   2H2'  TPN  15           HD2      PTH  15   7.773 -11.284  -4.434
  176   1H3'  TPN  15           HG1      PTH  15   6.619  -9.060  -3.106
  177   2H3'  TPN  15           HG2      PTH  15   7.578  -9.915  -1.871
  178   1H5'  TPN  15          HA21      PTH  15   7.451 -12.457  -2.034
  179   2H5'  TPN  15          HA22      PTH  15   6.427 -13.074  -3.330
  180   1H8'  TPN  15           HB1      PTH  15   5.092  -8.839  -3.830
  181   2H8'  TPN  15           HB2      PTH  15   4.286  -8.862  -2.263
  182    H6   TPN  15           H6       PTH  15   3.947  -8.472  -5.686
  183    HN3  TPN  15           H3       PTH  15  -0.135  -9.659  -3.446
  184   1HM5  TPN  15           H51      PTH  15   1.518  -9.023  -7.970
  185   2HM5  TPN  15           H52      PTH  15   2.872  -7.923  -7.624
  186   3HM5  TPN  15           H53      PTH  15   1.196  -7.348  -7.461
  187   1H1'  CPN  16           HN       PCY  16   4.493 -11.518  -0.951
  188   1H2'  CPN  16           HD1      PCY  16   4.266 -13.478   1.162
  189   2H2'  CPN  16           HD2      PCY  16   3.355 -14.192  -0.193
  190   1H3'  CPN  16           HG1      PCY  16   2.392 -11.644  -0.265
  191   2H3'  CPN  16           HG2      PCY  16   2.725 -11.813   1.472
  192   1H5'  CPN  16          HA21      PCY  16   1.478 -13.502   2.785
  193   2H5'  CPN  16          HA22      PCY  16   0.007 -14.162   2.073
  194   1H8'  CPN  16           HB1      PCY  16   1.564 -14.698  -2.065
  195   2H8'  CPN  16           HB2      PCY  16   2.205 -13.107  -1.687
  196   1HN4  CPN  16           H41      PCY  16  -2.695 -12.270  -6.161
  197   2HN4  CPN  16           H42      PCY  16  -1.212 -12.280  -7.090
  198    H5   CPN  16           H5       PCY  16   0.900 -11.817  -5.918
  199    H6   CPN  16           H6       PCY  16   2.167 -12.399  -3.916
  200   1HN   NH2  17           HN3      PCY  16  -1.286 -10.465   2.584
  201   2HN   NH2  17           HN4      PCY  16  -1.361 -11.465   1.153
   
  Start of MODEL    4
    1   1H5*    G   1          H5''        G   1 -12.462 -12.518  -3.878
    2   2H5*    G   1           H5'        G   1 -11.594 -11.031  -4.309
    3    H4*    G   1           H4'        G   1 -11.850 -12.187  -1.506
    4    H3*    G   1           H3'        G   1 -11.268  -9.532  -2.366
    5   1H2*    G   1          H2''        G   1  -8.806  -9.922  -1.105
    6   2H2*    G   1           H2'        G   1  -9.060  -9.742  -2.864
    7    H1*    G   1           H1'        G   1  -8.567 -12.182  -1.238
    8    H8     G   1           H8         G   1  -8.867 -11.699  -5.080
    9    H1     G   1           H1         G   1  -2.905 -12.394  -2.875
   10   1H2     G   1           H21        G   1  -2.935 -12.507  -0.654
   11   2H2     G   1           H22        G   1  -4.419 -12.391   0.269
   12    H5T    G   1           H5T        G   1 -13.145 -10.240  -2.454
   13   1H5*    A   2          H5''        A   2  -9.487 -10.269   2.621
   14   2H5*    A   2           H5'        A   2  -8.959 -11.424   1.381
   15    H4*    A   2           H4'        A   2  -7.260 -10.997   3.182
   16    H3*    A   2           H3'        A   2  -7.851  -8.249   2.452
   17   1H2*    A   2          H2''        A   2  -5.019  -8.182   2.671
   18   2H2*    A   2           H2'        A   2  -6.021  -7.763   1.252
   19    H1*    A   2           H1'        A   2  -4.478 -10.207   1.836
   20    H8     A   2           H8         A   2  -6.754  -9.197  -1.160
   21   1H6     A   2           H61        A   2  -1.467  -9.019  -4.352
   22   2H6     A   2           H62        A   2  -3.210  -8.936  -4.458
   23    H2     A   2           H2         A   2  -0.458  -9.773  -0.045
   24   1H5*    C   3          H5''        C   3  -4.060  -7.953   6.322
   25   2H5*    C   3           H5'        C   3  -3.963  -9.147   5.012
   26    H4*    C   3           H4'        C   3  -1.750  -8.168   5.635
   27    H3*    C   3           H3'        C   3  -3.249  -5.683   5.302
   28   1H2*    C   3          H2''        C   3  -0.702  -5.113   4.141
   29   2H2*    C   3           H2'        C   3  -2.317  -4.946   3.393
   30    H1*    C   3           H1'        C   3  -0.277  -7.040   3.064
   31   1H4     C   3           H41        C   3  -1.915  -6.070  -2.950
   32   2H4     C   3           H42        C   3  -3.619  -5.982  -2.562
   33    H5     C   3           H5         C   3  -4.433  -5.971  -0.264
   34    H6     C   3           H6         C   3  -3.828  -6.456   2.060
   35   1H5*    A   4          H5''        A   4   1.850  -4.527   6.667
   36   2H5*    A   4           H5'        A   4   1.501  -5.773   5.453
   37    H4*    A   4           H4'        A   4   3.532  -4.384   4.950
   38    H3*    A   4           H3'        A   4   1.684  -2.236   5.489
   39   1H2*    A   4          H2''        A   4   2.775  -1.233   3.099
   40   2H2*    A   4           H2'        A   4   1.082  -1.724   3.385
   41    H1*    A   4           H1'        A   4   3.285  -3.175   2.010
   42    H8     A   4           H8         A   4  -0.546  -3.378   2.598
   43   1H6     A   4           H61        A   4  -0.976  -2.664  -3.523
   44   2H6     A   4           H62        A   4  -1.868  -3.085  -2.077
   45    H2     A   4           H2         A   4   3.366  -2.573  -2.406
   46   1H5*    T   5          H5''        T   5   6.377  -1.105   3.779
   47   2H5*    T   5           H5'        T   5   5.193  -2.092   2.897
   48    H4*    T   5           H4'        T   5   7.079  -0.980   1.538
   49    H3*    T   5           H3'        T   5   5.880   1.368   2.712
   50   1H2*    T   5          H2''        T   5   5.897   2.245   0.064
   51   2H2*    T   5           H2'        T   5   4.444   1.863   1.032
   52    H1*    T   5           H1'        T   5   5.886   0.198  -1.000
   53    H3     T   5           H3         T   5   2.517   0.925  -3.812
   54   1H5M    T   5           H51        T   5   0.259  -0.779   0.688
   55   2H5M    T   5           H52        T   5  -0.685   0.061  -0.568
   56   3H5M    T   5           H53        T   5   0.110   0.994   0.724
   57    H6     T   5           H6         T   5   2.700  -0.086   0.883
   58   1H5*    A   6          H5''        A   6   8.883   2.097  -1.770
   59   2H5*    A   6           H5'        A   6   7.299   2.349  -1.018
   60    H4*    A   6           H4'        A   6   9.118   4.417  -2.291
   61    H3*    A   6           H3'        A   6   7.129   4.754  -0.143
   62   1H2*    A   6          H2''        A   6   6.774   6.874  -2.105
   63   2H2*    A   6           H2'        A   6   5.552   5.873  -1.274
   64    H1*    A   6           H1'        A   6   6.535   5.659  -3.965
   65    H8     A   6           H8         A   6   4.714   3.232  -1.500
   66   1H6     A   6           H61        A   6  -0.320   4.493  -4.828
   67   2H6     A   6           H62        A   6   0.324   3.545  -3.507
   68    H2     A   6           H2         A   6   3.157   6.546  -6.776
   69   1H5*    G   7          H5''        G   7   9.399   9.379  -1.903
   70   2H5*    G   7           H5'        G   7   9.043   7.873  -2.772
   71    H4*    G   7           H4'        G   7   8.671   9.932  -4.139
   72    H3*    G   7           H3'        G   7   6.917  10.552  -1.821
   73   1H2*    G   7          H2''        G   7   5.914  11.694  -4.336
   74   2H2*    G   7           H2'        G   7   5.029  10.924  -2.993
   75    H1*    G   7           H1'        G   7   5.770   9.788  -5.523
   76    H8     G   7           H8         G   7   4.986   8.138  -2.107
   77    H1     G   7           H1         G   7  -0.027   8.904  -5.996
   78   1H2     G   7           H21        G   7   0.619   9.982  -7.827
   79   2H2     G   7           H22        G   7   2.293  10.394  -8.132
   80   1H5*    C   8          H5''        C   8   7.488  14.135  -6.619
   81   2H5*    C   8           H5'        C   8   6.898  12.506  -7.003
   82    H4*    C   8           H4'        C   8   5.328  14.242  -7.769
   83    H3*    C   8           H3'        C   8   5.720  15.222  -5.011
   84   1H2*    C   8          H2''        C   8   2.999  15.795  -5.867
   85   2H2*    C   8           H2'        C   8   3.586  15.130  -4.318
   86    H1*    C   8           H1'        C   8   2.385  13.749  -6.566
   87   1H4     C   8           H41        C   8   0.350  10.150  -1.775
   88   2H4     C   8           H42        C   8   1.747  10.543  -0.796
   89    H5     C   8           H5         C   8   3.423  12.142  -1.501
   90    H6     C   8           H6         C   8   4.331  13.361  -3.417
   91    H3T    C   8           H3T        C   8   4.573  16.374  -7.348
   92   1H1'  GPN   9           HN1      PGU   9 -10.078  11.306  -4.051
   93   2H1'  GPN   9           HN2      PGU   9 -10.899  11.483  -2.517
   94   1H2'  GPN   9           HD1      PGU   9  -9.466  13.447  -2.260
   95   2H2'  GPN   9           HD2      PGU   9 -10.930  13.543  -3.266
   96   1H3'  GPN   9           HG1      PGU   9  -8.242  14.167  -4.003
   97   2H3'  GPN   9           HG2      PGU   9  -9.700  14.210  -5.020
   98   1H5'  GPN   9          HA21      PGU   9 -10.147  12.659  -6.538
   99   2H5'  GPN   9          HA22      PGU   9  -9.705  10.982  -6.223
  100   1H8'  GPN   9           HB1      PGU   9  -7.477  12.295  -2.681
  101   2H8'  GPN   9           HB2      PGU   9  -6.349  13.173  -3.709
  102    H8   GPN   9           H8       PGU   9  -6.510  10.196  -1.392
  103    HN1  GPN   9           H1       PGU   9  -0.789  11.171  -4.079
  104   1HN2  GPN   9           H21      PGU   9  -0.993  12.485  -5.851
  105   2HN2  GPN   9           H22      PGU   9  -2.529  13.170  -6.338
  106   1H1'  CPN  10           HN       PCY  10  -7.058  13.165  -6.850
  107   1H2'  CPN  10           HD1      PCY  10  -5.506  12.973  -8.669
  108   2H2'  CPN  10           HD2      PCY  10  -6.926  13.222  -9.715
  109   1H3'  CPN  10           HG1      PCY  10  -7.245  10.883 -10.018
  110   2H3'  CPN  10           HG2      PCY  10  -6.184  10.473  -8.656
  111   1H5'  CPN  10          HA21      PCY  10  -5.184  12.055 -12.287
  112   2H5'  CPN  10          HA22      PCY  10  -6.519  10.937 -12.043
  113   1H8'  CPN  10           HB1      PCY  10  -4.419  11.725  -8.040
  114   2H8'  CPN  10           HB2      PCY  10  -2.710  11.738  -8.406
  115   1HN4  CPN  10           H41      PCY  10  -1.771   7.716  -3.939
  116   2HN4  CPN  10           H42      PCY  10  -3.494   7.499  -3.720
  117    H5   CPN  10           H5       PCY  10  -5.124   8.752  -5.063
  118    H6   CPN  10           H6       PCY  10  -5.495   9.774  -7.205
  119   1H1'  TPN  11           HN       PTH  11  -4.662   8.651 -11.266
  120   1H2'  TPN  11           HD1      PTH  11  -4.086   7.967 -14.200
  121   2H2'  TPN  11           HD2      PTH  11  -4.014   6.850 -12.817
  122   1H3'  TPN  11           HG1      PTH  11  -2.022   8.805 -12.326
  123   2H3'  TPN  11           HG2      PTH  11  -1.875   8.401 -14.050
  124   1H5'  TPN  11          HA21      PTH  11  -1.735   6.118 -14.741
  125   2H5'  TPN  11          HA22      PTH  11  -2.420   5.005 -13.559
  126   1H8'  TPN  11           HB1      PTH  11  -1.686   8.427 -10.725
  127   2H8'  TPN  11           HB2      PTH  11   0.038   8.098 -10.518
  128    H6   TPN  11           H6       PTH  11  -3.291   7.068  -9.440
  129    HN3  TPN  11           H3       PTH  11   0.394   6.047  -6.546
  130   1HM5  TPN  11           H51      PTH  11  -4.320   5.875  -6.208
  131   2HM5  TPN  11           H52      PTH  11  -4.270   4.704  -7.547
  132   3HM5  TPN  11           H53      PTH  11  -4.848   6.362  -7.836
  133   1H1'  APN  12           HN       PAD  12   0.901   6.266 -13.119
  134   1H2'  APN  12           HD1      PAD  12   2.932   5.020 -13.706
  135   2H2'  APN  12           HD2      PAD  12   1.969   3.674 -14.361
  136   1H3'  APN  12           HG1      PAD  12   1.754   2.653 -12.308
  137   2H3'  APN  12           HG2      PAD  12   1.695   4.200 -11.434
  138   1H5'  APN  12          HA21      PAD  12   5.354   3.554 -13.120
  139   2H5'  APN  12          HA22      PAD  12   4.013   2.596 -13.747
  140   1H8'  APN  12           HB1      PAD  12   2.598   5.359 -10.218
  141   2H8'  APN  12           HB2      PAD  12   3.812   5.098  -8.973
  142    H8   APN  12           H8       PAD  12   0.357   3.904 -10.006
  143   1HN6  APN  12           H61      PAD  12   0.340   1.018  -4.598
  144   2HN6  APN  12           H62      PAD  12  -0.491   1.079  -6.136
  145    H21  APN  12           H2       PAD  12   4.644   2.025  -5.609
  146   1H1'  TPN  13           HN       PTH  13   3.857   1.327 -10.920
  147   1H2'  TPN  13           HD1      PTH  13   6.003  -0.783 -11.650
  148   2H2'  TPN  13           HD2      PTH  13   4.547  -1.075 -10.673
  149   1H3'  TPN  13           HG1      PTH  13   5.651   0.651  -9.008
  150   2H3'  TPN  13           HG2      PTH  13   7.148   0.233  -9.875
  151   1H5'  TPN  13          HA21      PTH  13   8.167  -1.733  -9.617
  152   2H5'  TPN  13          HA22      PTH  13   7.061  -3.092  -9.793
  153   1H8'  TPN  13           HB1      PTH  13   3.937  -0.185  -8.545
  154   2H8'  TPN  13           HB2      PTH  13   4.589  -0.011  -6.922
  155    H6   TPN  13           H6       PTH  13   1.787  -0.560  -8.733
  156    HN3  TPN  13           H3       PTH  13   1.663  -2.386  -4.301
  157   1HM5  TPN  13           H51      PTH  13  -0.592   0.201  -8.272
  158   2HM5  TPN  13           H52      PTH  13  -1.568  -0.870  -7.238
  159   3HM5  TPN  13           H53      PTH  13  -0.886  -1.483  -8.765
  160   1H1'  GPN  14           HN       PGU  14   6.743  -4.588  -8.070
  161   1H2'  GPN  14           HD1      PGU  14   9.194  -5.239  -6.616
  162   2H2'  GPN  14           HD2      PGU  14   7.567  -5.771  -6.132
  163   1H3'  GPN  14           HG1      PGU  14   7.540  -3.166  -5.257
  164   2H3'  GPN  14           HG2      PGU  14   9.257  -3.580  -5.036
  165   1H5'  GPN  14          HA21      PGU  14   9.283  -4.562  -2.333
  166   2H5'  GPN  14          HA22      PGU  14   9.872  -5.503  -3.699
  167   1H8'  GPN  14           HB1      PGU  14   5.941  -4.140  -5.431
  168   2H8'  GPN  14           HB2      PGU  14   5.409  -3.283  -3.999
  169    H8   GPN  14           H8       PGU  14   3.756  -4.464  -6.636
  170    HN1  GPN  14           H1       PGU  14   0.690  -6.329  -1.347
  171   1HN2  GPN  14           H21      PGU  14   2.088  -6.324   0.378
  172   2HN2  GPN  14           H22      PGU  14   3.798  -5.991   0.198
  173   1H1'  TPN  15           HN       PTH  15   8.709  -7.727  -4.015
  174   1H2'  TPN  15           HD1      PTH  15   9.162  -9.252  -1.522
  175   2H2'  TPN  15           HD2      PTH  15   8.227  -9.829  -2.924
  176   1H3'  TPN  15           HG1      PTH  15   6.459  -8.049  -1.858
  177   2H3'  TPN  15           HG2      PTH  15   7.276  -8.590  -0.372
  178   1H5'  TPN  15          HA21      PTH  15   7.749 -11.114  -0.336
  179   2H5'  TPN  15          HA22      PTH  15   7.124 -12.022  -1.713
  180   1H8'  TPN  15           HB1      PTH  15   5.146  -8.230  -2.937
  181   2H8'  TPN  15           HB2      PTH  15   4.113  -8.278  -1.511
  182    H6   TPN  15           H6       PTH  15   4.338  -8.514  -5.007
  183    HN3  TPN  15           H3       PTH  15   0.020  -9.414  -3.117
  184   1HM5  TPN  15           H51      PTH  15   1.598  -8.113  -7.350
  185   2HM5  TPN  15           H52      PTH  15   2.610  -9.576  -7.410
  186   3HM5  TPN  15           H53      PTH  15   3.357  -7.989  -7.108
  187   1H1'  CPN  16           HN       PCY  16   4.472 -10.771   0.126
  188   1H2'  CPN  16           HD1      PCY  16   2.974 -12.009   1.527
  189   2H2'  CPN  16           HD2      PCY  16   4.391 -12.771   2.295
  190   1H3'  CPN  16           HG1      PCY  16   4.174 -14.681   1.064
  191   2H3'  CPN  16           HG2      PCY  16   3.758 -13.793  -0.418
  192   1H5'  CPN  16          HA21      PCY  16   2.060 -16.245   1.436
  193   2H5'  CPN  16          HA22      PCY  16   0.655 -15.302   1.928
  194   1H8'  CPN  16           HB1      PCY  16   2.604 -12.525  -0.980
  195   2H8'  CPN  16           HB2      PCY  16   1.308 -11.536  -0.323
  196   1HN4  CPN  16           H41      PCY  16  -1.940 -12.227  -5.808
  197   2HN4  CPN  16           H42      PCY  16  -0.380 -12.278  -6.603
  198    H5   CPN  16           H5       PCY  16   1.709 -12.237  -5.382
  199    H6   CPN  16           H6       PCY  16   2.746 -12.458  -3.175
  200   1HN   NH2  17           HN3      PCY  16   3.458 -15.802   4.777
  201   2HN   NH2  17           HN4      PCY  16   2.979 -17.027   3.626
   
  Start of MODEL    5
    1   1H5*    G   1          H5''        G   1 -13.101 -11.706  -2.899
    2   2H5*    G   1           H5'        G   1 -12.611 -13.192  -3.738
    3    H4*    G   1           H4'        G   1 -11.803 -13.174  -1.411
    4    H3*    G   1           H3'        G   1 -11.251 -10.434  -1.954
    5   1H2*    G   1          H2''        G   1  -8.700 -10.994  -0.965
    6   2H2*    G   1           H2'        G   1  -9.093 -10.581  -2.658
    7    H1*    G   1           H1'        G   1  -8.495 -13.217  -1.417
    8    H8     G   1           H8         G   1  -9.122 -12.213  -5.120
    9    H1     G   1           H1         G   1  -3.002 -13.210  -3.564
   10   1H2     G   1           H21        G   1  -2.852 -13.779  -1.419
   11   2H2     G   1           H22        G   1  -4.227 -13.678  -0.339
   12    H5T    G   1           H5T        G   1 -10.723 -11.796  -4.408
   13   1H5*    A   2          H5''        A   2  -9.025 -11.667   2.768
   14   2H5*    A   2           H5'        A   2  -8.687 -12.693   1.359
   15    H4*    A   2           H4'        A   2  -6.766 -12.463   2.969
   16    H3*    A   2           H3'        A   2  -7.337  -9.632   2.487
   17   1H2*    A   2          H2''        A   2  -4.475  -9.799   2.568
   18   2H2*    A   2           H2'        A   2  -5.517  -9.090   1.303
   19    H1*    A   2           H1'        A   2  -4.143 -11.682   1.379
   20    H8     A   2           H8         A   2  -6.656 -10.022  -1.105
   21   1H6     A   2           H61        A   2  -1.773  -9.512  -4.835
   22   2H6     A   2           H62        A   2  -3.521  -9.514  -4.768
   23    H2     A   2           H2         A   2  -0.406 -11.469  -1.009
   24   1H5*    C   3          H5''        C   3  -3.387  -9.697   6.164
   25   2H5*    C   3           H5'        C   3  -3.426 -10.780   4.758
   26    H4*    C   3           H4'        C   3  -1.143  -9.909   5.315
   27    H3*    C   3           H3'        C   3  -2.586  -7.359   5.172
   28   1H2*    C   3          H2''        C   3  -0.021  -6.848   3.988
   29   2H2*    C   3           H2'        C   3  -1.643  -6.536   3.305
   30    H1*    C   3           H1'        C   3   0.249  -8.727   2.773
   31   1H4     C   3           H41        C   3  -1.544  -6.864  -3.014
   32   2H4     C   3           H42        C   3  -3.215  -7.255  -2.668
   33    H5     C   3           H5         C   3  -3.978  -7.295  -0.316
   34    H6     C   3           H6         C   3  -3.311  -8.019   1.924
   35   1H5*    A   4          H5''        A   4   2.425  -6.184   6.756
   36   2H5*    A   4           H5'        A   4   2.377  -7.267   5.350
   37    H4*    A   4           H4'        A   4   4.189  -5.489   5.309
   38    H3*    A   4           H3'        A   4   1.906  -3.796   5.792
   39   1H2*    A   4          H2''        A   4   3.000  -2.333   3.666
   40   2H2*    A   4           H2'        A   4   1.443  -3.210   3.666
   41    H1*    A   4           H1'        A   4   4.089  -4.004   2.536
   42    H8     A   4           H8         A   4   0.364  -5.074   2.412
   43   1H6     A   4           H61        A   4   0.556  -3.101  -3.428
   44   2H6     A   4           H62        A   4  -0.396  -3.993  -2.261
   45    H2     A   4           H2         A   4   4.613  -2.492  -1.621
   46   1H5*    T   5          H5''        T   5   6.223  -1.302   4.638
   47   2H5*    T   5           H5'        T   5   5.497  -2.307   3.367
   48    H4*    T   5           H4'        T   5   6.936  -0.249   2.683
   49    H3*    T   5           H3'        T   5   4.734   1.024   4.104
   50   1H2*    T   5          H2''        T   5   4.927   2.633   1.768
   51   2H2*    T   5           H2'        T   5   3.519   1.685   2.325
   52    H1*    T   5           H1'        T   5   5.552   1.062   0.255
   53    H3     T   5           H3         T   5   2.221   1.213  -2.713
   54   1H5M    T   5           H51        T   5  -0.665  -1.152   0.017
   55   2H5M    T   5           H52        T   5  -0.125  -0.474   1.573
   56   3H5M    T   5           H53        T   5   0.470  -2.065   1.044
   57    H6     T   5           H6         T   5   2.601  -0.697   1.679
   58   1H5*    A   6          H5''        A   6   8.220   3.917   1.525
   59   2H5*    A   6           H5'        A   6   7.290   2.522   0.939
   60    H4*    A   6           H4'        A   6   7.972   4.181  -0.843
   61    H3*    A   6           H3'        A   6   6.534   5.944   1.010
   62   1H2*    A   6          H2''        A   6   5.874   6.844  -1.653
   63   2H2*    A   6           H2'        A   6   4.786   6.464  -0.288
   64    H1*    A   6           H1'        A   6   5.495   4.876  -2.638
   65    H8     A   6           H8         A   6   3.469   3.682   0.453
   66   1H6     A   6           H61        A   6  -1.530   5.194  -2.866
   67   2H6     A   6           H62        A   6  -0.970   4.592  -1.321
   68    H2     A   6           H2         A   6   2.092   6.032  -5.355
   69   1H5*    G   7          H5''        G   7   8.718   7.497  -3.222
   70   2H5*    G   7           H5'        G   7   7.349   6.376  -3.377
   71    H4*    G   7           H4'        G   7   7.937   7.885  -5.392
   72    H3*    G   7           H3'        G   7   7.179   9.842  -3.334
   73   1H2*    G   7          H2''        G   7   6.083  10.618  -5.948
   74   2H2*    G   7           H2'        G   7   5.358  10.748  -4.322
   75    H1*    G   7           H1'        G   7   4.737   8.854  -6.323
   76    H8     G   7           H8         G   7   4.723   8.370  -2.474
   77    H1     G   7           H1         G   7  -0.980   9.591  -5.115
   78   1H2     G   7           H21        G   7  -0.721  10.070  -7.259
   79   2H2     G   7           H22        G   7   0.844  10.052  -8.042
   80   1H5*    C   8          H5''        C   8   8.628  12.614  -7.744
   81   2H5*    C   8           H5'        C   8   7.832  11.042  -7.518
   82    H4*    C   8           H4'        C   8   6.760  12.405  -9.296
   83    H3*    C   8           H3'        C   8   6.831  14.412  -7.147
   84   1H2*    C   8          H2''        C   8   4.379  14.752  -8.685
   85   2H2*    C   8           H2'        C   8   4.637  14.794  -6.917
   86    H1*    C   8           H1'        C   8   3.525  12.686  -8.510
   87   1H4     C   8           H41        C   8   0.634  11.920  -2.937
   88   2H4     C   8           H42        C   8   2.133  12.080  -2.048
   89    H5     C   8           H5         C   8   4.267  12.466  -3.135
   90    H6     C   8           H6         C   8   5.366  12.944  -5.269
   91    H3T    C   8           H3T        C   8   6.545  15.763  -8.997
   92   1H1'  GPN   9           HN1      PGU   9  -8.809  19.557  -6.579
   93   2H1'  GPN   9           HN2      PGU   9  -9.093  18.002  -7.327
   94   1H2'  GPN   9           HD1      PGU   9  -7.493  17.657  -5.564
   95   2H2'  GPN   9           HD2      PGU   9  -6.515  18.975  -6.253
   96   1H3'  GPN   9           HG1      PGU   9  -5.716  17.328  -7.589
   97   2H3'  GPN   9           HG2      PGU   9  -7.189  17.661  -8.530
   98   1H5'  GPN   9          HA21      PGU   9  -9.295  15.264  -7.259
   99   2H5'  GPN   9          HA22      PGU   9  -8.864  16.216  -8.679
  100   1H8'  GPN   9           HB1      PGU   9  -5.587  16.458  -5.177
  101   2H8'  GPN   9           HB2      PGU   9  -4.684  15.952  -6.602
  102    H8   GPN   9           H8       PGU   9  -5.683  14.525  -3.145
  103    HN1  GPN   9           H1       PGU   9  -0.212  12.353  -5.644
  104   1HN2  GPN   9           H21      PGU   9  -0.034  12.997  -7.758
  105   2HN2  GPN   9           H22      PGU   9  -1.250  13.982  -8.542
  106   1H1'  CPN  10           HN       PCY  10  -8.659  12.982  -7.144
  107   1H2'  CPN  10           HD1      PCY  10  -9.228  11.488  -9.524
  108   2H2'  CPN  10           HD2      PCY  10  -8.174  10.891  -8.223
  109   1H3'  CPN  10           HG1      PCY  10  -6.377  12.447  -9.509
  110   2H3'  CPN  10           HG2      PCY  10  -7.445  12.077 -10.881
  111   1H5'  CPN  10          HA21      PCY  10  -7.593  10.045 -11.784
  112   2H5'  CPN  10          HA22      PCY  10  -7.593   8.691 -10.657
  113   1H8'  CPN  10           HB1      PCY  10  -5.887  11.615  -7.805
  114   2H8'  CPN  10           HB2      PCY  10  -4.264  11.492  -8.470
  115   1HN4  CPN  10           H41      PCY  10  -2.285   9.035  -2.983
  116   2HN4  CPN  10           H42      PCY  10  -3.934   8.731  -2.485
  117    H5   CPN  10           H5       PCY  10  -5.854   9.287  -3.869
  118    H6   CPN  10           H6       PCY  10  -6.576   9.884  -6.117
  119   1H1'  TPN  11           HN       PTH  11  -4.401   9.975 -11.246
  120   1H2'  TPN  11           HD1      PTH  11  -3.889   7.423 -12.884
  121   2H2'  TPN  11           HD2      PTH  11  -3.515   8.957 -13.697
  122   1H3'  TPN  11           HG1      PTH  11  -2.331   9.111 -11.104
  123   2H3'  TPN  11           HG2      PTH  11  -1.502   8.971 -12.669
  124   1H5'  TPN  11          HA21      PTH  11  -1.911   6.578 -13.702
  125   2H5'  TPN  11          HA22      PTH  11  -2.636   5.416 -12.596
  126   1H8'  TPN  11           HB1      PTH  11  -2.080   8.647  -9.526
  127   2H8'  TPN  11           HB2      PTH  11  -0.376   8.261  -9.268
  128    H6   TPN  11           H6       PTH  11  -3.792   7.498  -8.277
  129    HN3  TPN  11           H3       PTH  11  -0.296   6.146  -5.283
  130   1HM5  TPN  11           H51      PTH  11  -5.053   6.828  -5.085
  131   2HM5  TPN  11           H52      PTH  11  -5.013   5.336  -6.054
  132   3HM5  TPN  11           H53      PTH  11  -5.446   6.883  -6.820
  133   1H1'  APN  12           HN       PAD  12  -1.134   4.013 -11.283
  134   1H2'  APN  12           HD1      PAD  12   1.658   3.832 -12.569
  135   2H2'  APN  12           HD2      PAD  12   0.609   2.401 -12.694
  136   1H3'  APN  12           HG1      PAD  12   1.179   1.789 -10.585
  137   2H3'  APN  12           HG2      PAD  12   0.571   3.333  -9.951
  138   1H5'  APN  12          HA21      PAD  12   4.366   3.625 -11.554
  139   2H5'  APN  12          HA22      PAD  12   3.327   2.322 -12.118
  140   1H8'  APN  12           HB1      PAD  12   1.080   5.265  -9.320
  141   2H8'  APN  12           HB2      PAD  12   2.177   5.565  -7.984
  142    H8   APN  12           H8       PAD  12  -1.057   4.049  -8.625
  143   1HN6  APN  12           H61      PAD  12  -0.528   1.002  -3.331
  144   2HN6  APN  12           H62      PAD  12  -1.662   1.848  -4.362
  145    H21  APN  12           H2       PAD  12   3.520   2.704  -4.325
  146   1H1'  TPN  13           HN       PTH  13   5.642   3.192  -9.459
  147   1H2'  TPN  13           HD1      PTH  13   7.349   0.926  -9.938
  148   2H2'  TPN  13           HD2      PTH  13   6.101   0.272  -8.855
  149   1H3'  TPN  13           HG1      PTH  13   6.674   2.553  -7.505
  150   2H3'  TPN  13           HG2      PTH  13   8.231   2.308  -8.323
  151   1H5'  TPN  13          HA21      PTH  13   9.634   0.470  -6.291
  152   2H5'  TPN  13          HA22      PTH  13   9.473   0.425  -8.041
  153   1H8'  TPN  13           HB1      PTH  13   5.249   1.598  -6.864
  154   2H8'  TPN  13           HB2      PTH  13   5.511   1.845  -5.141
  155    H6   TPN  13           H6       PTH  13   3.222   0.905  -7.374
  156    HN3  TPN  13           H3       PTH  13   3.086  -1.844  -3.447
  157   1HM5  TPN  13           H51      PTH  13   0.368   0.438  -7.122
  158   2HM5  TPN  13           H52      PTH  13   0.335  -1.342  -7.161
  159   3HM5  TPN  13           H53      PTH  13   1.371  -0.444  -8.297
  160   1H1'  GPN  14           HN       PGU  14   7.086  -1.724  -6.851
  161   1H2'  GPN  14           HD1      PGU  14   9.039  -4.014  -7.464
  162   2H2'  GPN  14           HD2      PGU  14   7.282  -4.159  -7.207
  163   1H3'  GPN  14           HG1      PGU  14   7.856  -3.379  -4.751
  164   2H3'  GPN  14           HG2      PGU  14   9.504  -3.907  -5.159
  165   1H5'  GPN  14          HA21      PGU  14  10.050  -6.096  -5.336
  166   2H5'  GPN  14          HA22      PGU  14   8.914  -6.903  -6.415
  167   1H8'  GPN  14           HB1      PGU  14   6.080  -3.776  -4.999
  168   2H8'  GPN  14           HB2      PGU  14   6.040  -4.340  -3.332
  169    H8   GPN  14           H8       PGU  14   3.869  -3.780  -6.237
  170    HN1  GPN  14           H1       PGU  14   1.033  -7.176  -1.628
  171   1HN2  GPN  14           H21      PGU  14   2.509  -7.662  -0.043
  172   2HN2  GPN  14           H22      PGU  14   4.227  -7.398  -0.256
  173   1H1'  TPN  15           HN       PTH  15   7.998  -8.853  -5.868
  174   1H2'  TPN  15           HD1      PTH  15   9.354 -10.267  -3.564
  175   2H2'  TPN  15           HD2      PTH  15   8.059 -10.917  -4.601
  176   1H3'  TPN  15           HG1      PTH  15   6.834  -8.857  -3.122
  177   2H3'  TPN  15           HG2      PTH  15   7.860  -9.704  -1.937
  178   1H5'  TPN  15          HA21      PTH  15   7.840 -12.232  -2.112
  179   2H5'  TPN  15          HA22      PTH  15   6.892 -12.869  -3.458
  180   1H8'  TPN  15           HB1      PTH  15   5.302  -8.706  -3.882
  181   2H8'  TPN  15           HB2      PTH  15   4.527  -8.809  -2.302
  182    H6   TPN  15           H6       PTH  15   4.101  -8.255  -5.667
  183    HN3  TPN  15           H3       PTH  15   0.119  -9.784  -3.453
  184   1HM5  TPN  15           H51      PTH  15   1.843  -8.760  -7.969
  185   2HM5  TPN  15           H52      PTH  15   2.906  -7.426  -7.461
  186   3HM5  TPN  15           H53      PTH  15   1.138  -7.251  -7.343
  187   1H1'  CPN  16           HN       PCY  16   4.968 -11.382  -1.027
  188   1H2'  CPN  16           HD1      PCY  16   4.579 -13.232   1.058
  189   2H2'  CPN  16           HD2      PCY  16   3.867 -14.124  -0.316
  190   1H3'  CPN  16           HG1      PCY  16   2.719 -11.763  -0.786
  191   2H3'  CPN  16           HG2      PCY  16   2.972 -11.567   0.965
  192   1H5'  CPN  16          HA21      PCY  16   1.932 -13.149   2.517
  193   2H5'  CPN  16          HA22      PCY  16   0.587 -14.137   1.947
  194   1H8'  CPN  16           HB1      PCY  16   1.785 -14.907  -2.288
  195   2H8'  CPN  16           HB2      PCY  16   2.643 -13.410  -1.951
  196   1HN4  CPN  16           H41      PCY  16  -2.285 -12.160  -6.288
  197   2HN4  CPN  16           H42      PCY  16  -0.818 -11.588  -7.052
  198    H5   CPN  16           H5       PCY  16   1.365 -11.879  -6.067
  199    H6   CPN  16           H6       PCY  16   2.587 -12.493  -4.050
  200   1HN   NH2  17           HN3      PCY  16  -1.292 -12.757   3.436
  201   2HN   NH2  17           HN4      PCY  16  -1.315 -11.036   3.130
   
  Start of MODEL    6
    1   1H5*    G   1          H5''        G   1 -12.726 -13.043  -3.123
    2   2H5*    G   1           H5'        G   1 -11.885 -11.572  -3.653
    3    H4*    G   1           H4'        G   1 -11.984 -12.631  -0.801
    4    H3*    G   1           H3'        G   1 -11.460 -10.006  -1.777
    5   1H2*    G   1          H2''        G   1  -8.925 -10.346  -0.662
    6   2H2*    G   1           H2'        G   1  -9.286 -10.233  -2.406
    7    H1*    G   1           H1'        G   1  -8.686 -12.609  -0.722
    8    H8     G   1           H8         G   1  -9.210 -12.266  -4.558
    9    H1     G   1           H1         G   1  -3.115 -12.672  -2.662
   10   1H2     G   1           H21        G   1  -3.028 -12.772  -0.442
   11   2H2     G   1           H22        G   1  -4.465 -12.671   0.554
   12    H5T    G   1           H5T        G   1 -13.329 -10.709  -1.750
   13   1H5*    A   2          H5''        A   2  -9.410 -10.604   3.113
   14   2H5*    A   2           H5'        A   2  -8.918 -11.787   1.885
   15    H4*    A   2           H4'        A   2  -7.154 -11.303   3.604
   16    H3*    A   2           H3'        A   2  -7.815  -8.580   2.865
   17   1H2*    A   2          H2''        A   2  -4.982  -8.448   2.913
   18   2H2*    A   2           H2'        A   2  -6.070  -8.090   1.543
   19    H1*    A   2           H1'        A   2  -4.436 -10.481   2.095
   20    H8     A   2           H8         A   2  -6.910  -9.713  -0.800
   21   1H6     A   2           H61        A   2  -1.825  -9.341  -4.281
   22   2H6     A   2           H62        A   2  -3.568  -9.493  -4.299
   23    H2     A   2           H2         A   2  -0.541  -9.818  -0.004
   24   1H5*    C   3          H5''        C   3  -3.826  -8.070   6.466
   25   2H5*    C   3           H5'        C   3  -3.706  -9.252   5.148
   26    H4*    C   3           H4'        C   3  -1.554  -8.066   5.688
   27    H3*    C   3           H3'        C   3  -3.275  -5.731   5.287
   28   1H2*    C   3          H2''        C   3  -0.795  -4.997   4.076
   29   2H2*    C   3           H2'        C   3  -2.419  -5.019   3.328
   30    H1*    C   3           H1'        C   3  -0.201  -6.965   3.144
   31   1H4     C   3           H41        C   3  -1.668  -6.323  -2.968
   32   2H4     C   3           H42        C   3  -3.365  -6.610  -2.652
   33    H5     C   3           H5         C   3  -4.290  -6.442  -0.390
   34    H6     C   3           H6         C   3  -3.740  -6.741   1.977
   35   1H5*    A   4          H5''        A   4   1.771  -4.384   6.589
   36   2H5*    A   4           H5'        A   4   1.420  -5.653   5.399
   37    H4*    A   4           H4'        A   4   3.475  -4.310   4.884
   38    H3*    A   4           H3'        A   4   1.667  -2.120   5.373
   39   1H2*    A   4          H2''        A   4   2.773  -1.173   2.970
   40   2H2*    A   4           H2'        A   4   1.076  -1.650   3.254
   41    H1*    A   4           H1'        A   4   3.286  -3.146   1.932
   42    H8     A   4           H8         A   4  -0.555  -3.347   2.449
   43   1H6     A   4           H61        A   4  -0.873  -2.478  -3.663
   44   2H6     A   4           H62        A   4  -1.803  -2.853  -2.228
   45    H2     A   4           H2         A   4   3.447  -2.467  -2.473
   46   1H5*    T   5          H5''        T   5   6.372  -1.116   3.634
   47   2H5*    T   5           H5'        T   5   5.169  -2.087   2.760
   48    H4*    T   5           H4'        T   5   7.067  -1.037   1.380
   49    H3*    T   5           H3'        T   5   5.973   1.350   2.567
   50   1H2*    T   5          H2''        T   5   5.960   2.237  -0.073
   51   2H2*    T   5           H2'        T   5   4.514   1.886   0.919
   52    H1*    T   5           H1'        T   5   5.877   0.197  -1.147
   53    H3     T   5           H3         T   5   2.493   1.076  -3.892
   54   1H5M    T   5           H51        T   5  -0.690   0.283  -0.624
   55   2H5M    T   5           H52        T   5   0.181   1.071   0.715
   56   3H5M    T   5           H53        T   5   0.220  -0.700   0.552
   57    H6     T   5           H6         T   5   2.714  -0.033   0.777
   58   1H5*    A   6          H5''        A   6   8.927   2.069  -1.936
   59   2H5*    A   6           H5'        A   6   7.362   2.343  -1.151
   60    H4*    A   6           H4'        A   6   9.204   4.386  -2.428
   61    H3*    A   6           H3'        A   6   7.310   4.740  -0.206
   62   1H2*    A   6          H2''        A   6   6.903   6.904  -2.101
   63   2H2*    A   6           H2'        A   6   5.701   5.886  -1.260
   64    H1*    A   6           H1'        A   6   6.609   5.743  -3.987
   65    H8     A   6           H8         A   6   4.760   3.356  -1.502
   66   1H6     A   6           H61        A   6  -0.262   4.670  -4.834
   67   2H6     A   6           H62        A   6   0.367   3.734  -3.496
   68    H2     A   6           H2         A   6   3.239   6.671  -6.791
   69   1H5*    G   7          H5''        G   7   9.523   9.423  -1.937
   70   2H5*    G   7           H5'        G   7   9.151   7.946  -2.847
   71    H4*    G   7           H4'        G   7   8.685  10.051  -4.113
   72    H3*    G   7           H3'        G   7   7.009  10.546  -1.706
   73   1H2*    G   7          H2''        G   7   5.916  11.793  -4.130
   74   2H2*    G   7           H2'        G   7   5.082  10.940  -2.802
   75    H1*    G   7           H1'        G   7   5.792   9.946  -5.410
   76    H8     G   7           H8         G   7   5.028   8.144  -2.067
   77    H1     G   7           H1         G   7   0.011   9.005  -5.935
   78   1H2     G   7           H21        G   7   0.649  10.166  -7.720
   79   2H2     G   7           H22        G   7   2.310  10.654  -7.976
   80   1H5*    C   8          H5''        C   8   7.478  14.292  -6.386
   81   2H5*    C   8           H5'        C   8   6.858  12.692  -6.838
   82    H4*    C   8           H4'        C   8   5.323  14.528  -7.487
   83    H3*    C   8           H3'        C   8   5.660  15.226  -4.626
   84   1H2*    C   8          H2''        C   8   3.002  15.958  -5.595
   85   2H2*    C   8           H2'        C   8   3.486  15.196  -4.054
   86    H1*    C   8           H1'        C   8   2.367  13.964  -6.419
   87   1H4     C   8           H41        C   8   0.170  10.100  -1.901
   88   2H4     C   8           H42        C   8   1.624  10.283  -0.945
   89    H5     C   8           H5         C   8   3.343  11.902  -1.498
   90    H6     C   8           H6         C   8   4.280  13.263  -3.300
   91    H3T    C   8           H3T        C   8   6.228  16.619  -6.351
   92   1H1'  GPN   9           HN1      PGU   9 -11.035  11.144  -2.707
   93   2H1'  GPN   9           HN2      PGU   9 -10.008  10.980  -4.113
   94   1H2'  GPN   9           HD1      PGU   9  -9.830  13.211  -2.438
   95   2H2'  GPN   9           HD2      PGU   9 -11.241  13.168  -3.521
   96   1H3'  GPN   9           HG1      PGU   9  -8.566  14.040  -4.102
   97   2H3'  GPN   9           HG2      PGU   9  -9.988  14.034  -5.170
   98   1H5'  GPN   9          HA21      PGU   9 -10.258  12.545  -6.783
   99   2H5'  GPN   9          HA22      PGU   9  -9.786  10.876  -6.470
  100   1H8'  GPN   9           HB1      PGU   9  -7.712  12.227  -2.846
  101   2H8'  GPN   9           HB2      PGU   9  -6.579  13.164  -3.812
  102    H8   GPN   9           H8       PGU   9  -6.719  10.150  -1.549
  103    HN1  GPN   9           H1       PGU   9  -0.954  11.270  -4.082
  104   1HN2  GPN   9           H21      PGU   9  -1.131  12.669  -5.794
  105   2HN2  GPN   9           H22      PGU   9  -2.678  13.268  -6.355
  106   1H1'  CPN  10           HN       PCY  10  -7.184  13.155  -6.960
  107   1H2'  CPN  10           HD1      PCY  10  -5.547  13.027  -8.709
  108   2H2'  CPN  10           HD2      PCY  10  -6.926  13.245  -9.814
  109   1H3'  CPN  10           HG1      PCY  10  -7.169  10.889 -10.129
  110   2H3'  CPN  10           HG2      PCY  10  -6.114  10.514  -8.751
  111   1H5'  CPN  10          HA21      PCY  10  -5.094  12.184 -12.341
  112   2H5'  CPN  10          HA22      PCY  10  -6.414  11.039 -12.143
  113   1H8'  CPN  10           HB1      PCY  10  -4.407  11.807  -8.094
  114   2H8'  CPN  10           HB2      PCY  10  -2.692  11.863  -8.425
  115   1HN4  CPN  10           H41      PCY  10  -1.714   7.765  -4.026
  116   2HN4  CPN  10           H42      PCY  10  -3.436   7.542  -3.812
  117    H5   CPN  10           H5       PCY  10  -5.075   8.780  -5.147
  118    H6   CPN  10           H6       PCY  10  -5.448   9.850  -7.265
  119   1H1'  TPN  11           HN       PTH  11  -4.522   8.775 -11.372
  120   1H2'  TPN  11           HD1      PTH  11  -3.879   8.157 -14.307
  121   2H2'  TPN  11           HD2      PTH  11  -3.812   7.016 -12.945
  122   1H3'  TPN  11           HG1      PTH  11  -1.872   9.002 -12.375
  123   2H3'  TPN  11           HG2      PTH  11  -1.680   8.635 -14.103
  124   1H5'  TPN  11          HA21      PTH  11  -1.474   6.369 -14.832
  125   2H5'  TPN  11          HA22      PTH  11  -2.171   5.224 -13.689
  126   1H8'  TPN  11           HB1      PTH  11  -1.558   8.603 -10.774
  127   2H8'  TPN  11           HB2      PTH  11   0.167   8.305 -10.537
  128    H6   TPN  11           H6       PTH  11  -3.161   7.181  -9.553
  129    HN3  TPN  11           H3       PTH  11   0.479   6.200  -6.589
  130   1HM5  TPN  11           H51      PTH  11  -4.702   6.676  -7.398
  131   2HM5  TPN  11           H52      PTH  11  -4.055   5.304  -6.465
  132   3HM5  TPN  11           H53      PTH  11  -4.354   5.132  -8.211
  133   1H1'  APN  12           HN       PAD  12   1.124   6.531 -13.162
  134   1H2'  APN  12           HD1      PAD  12   3.187   5.323 -13.665
  135   2H2'  APN  12           HD2      PAD  12   2.277   4.007 -14.442
  136   1H3'  APN  12           HG1      PAD  12   1.948   2.878 -12.457
  137   2H3'  APN  12           HG2      PAD  12   1.875   4.377 -11.502
  138   1H5'  APN  12          HA21      PAD  12   5.555   3.731 -13.137
  139   2H5'  APN  12          HA22      PAD  12   4.227   2.759 -13.772
  140   1H8'  APN  12           HB1      PAD  12   2.768   5.524 -10.260
  141   2H8'  APN  12           HB2      PAD  12   3.940   5.226  -8.984
  142    H8   APN  12           H8       PAD  12   0.496   4.103 -10.131
  143   1HN6  APN  12           H61      PAD  12   0.290   1.210  -4.691
  144   2HN6  APN  12           H62      PAD  12  -0.643   1.769  -6.062
  145    H21  APN  12           H2       PAD  12   4.597   2.171  -5.588
  146   1H1'  TPN  13           HN       PTH  13   4.048   1.506 -10.937
  147   1H2'  TPN  13           HD1      PTH  13   6.226  -0.586 -11.622
  148   2H2'  TPN  13           HD2      PTH  13   4.755  -0.889 -10.668
  149   1H3'  TPN  13           HG1      PTH  13   5.815   0.855  -8.990
  150   2H3'  TPN  13           HG2      PTH  13   7.330   0.449  -9.831
  151   1H5'  TPN  13          HA21      PTH  13   8.378  -1.492  -9.521
  152   2H5'  TPN  13          HA22      PTH  13   7.289  -2.854  -9.767
  153   1H8'  TPN  13           HB1      PTH  13   4.112   0.009  -8.557
  154   2H8'  TPN  13           HB2      PTH  13   4.719   0.176  -6.915
  155    H6   TPN  13           H6       PTH  13   1.962  -0.351  -8.789
  156    HN3  TPN  13           H3       PTH  13   1.743  -2.224  -4.381
  157   1HM5  TPN  13           H51      PTH  13  -0.369   0.348  -8.509
  158   2HM5  TPN  13           H52      PTH  13  -1.390  -0.504  -7.325
  159   3HM5  TPN  13           H53      PTH  13  -0.807  -1.358  -8.776
  160   1H1'  GPN  14           HN       PGU  14   6.905  -4.378  -8.074
  161   1H2'  GPN  14           HD1      PGU  14   9.344  -5.090  -6.639
  162   2H2'  GPN  14           HD2      PGU  14   7.714  -5.637  -6.181
  163   1H3'  GPN  14           HG1      PGU  14   7.713  -3.063  -5.197
  164   2H3'  GPN  14           HG2      PGU  14   9.418  -3.524  -4.973
  165   1H5'  GPN  14          HA21      PGU  14   9.409  -4.676  -2.339
  166   2H5'  GPN  14          HA22      PGU  14   9.954  -5.582  -3.748
  167   1H8'  GPN  14           HB1      PGU  14   6.084  -3.956  -5.413
  168   2H8'  GPN  14           HB2      PGU  14   5.590  -3.148  -3.937
  169    H8   GPN  14           H8       PGU  14   3.916  -4.267  -6.652
  170    HN1  GPN  14           H1       PGU  14   0.805  -6.251  -1.429
  171   1HN2  GPN  14           H21      PGU  14   2.141  -6.085   0.343
  172   2HN2  GPN  14           H22      PGU  14   3.841  -5.700   0.197
  173   1H1'  TPN  15           HN       PTH  15   8.683  -7.716  -4.179
  174   1H2'  TPN  15           HD1      PTH  15   8.976  -9.363  -1.728
  175   2H2'  TPN  15           HD2      PTH  15   8.093  -9.844  -3.199
  176   1H3'  TPN  15           HG1      PTH  15   6.315  -8.078  -2.219
  177   2H3'  TPN  15           HG2      PTH  15   7.060  -8.561  -0.678
  178   1H5'  TPN  15          HA21      PTH  15   7.638 -11.154  -0.761
  179   2H5'  TPN  15          HA22      PTH  15   6.886 -12.040  -2.087
  180   1H8'  TPN  15           HB1      PTH  15   4.883  -8.206  -3.125
  181   2H8'  TPN  15           HB2      PTH  15   3.925  -8.281  -1.647
  182    H6   TPN  15           H6       PTH  15   3.956  -8.423  -5.155
  183    HN3  TPN  15           H3       PTH  15  -0.227  -9.513  -3.069
  184   1HM5  TPN  15           H51      PTH  15   1.912  -7.484  -7.196
  185   2HM5  TPN  15           H52      PTH  15   1.212  -9.093  -7.494
  186   3HM5  TPN  15           H53      PTH  15   2.974  -8.905  -7.335
  187   1H1'  CPN  16           HN       PCY  16   4.401 -10.773  -0.057
  188   1H2'  CPN  16           HD1      PCY  16   2.989 -12.006   1.435
  189   2H2'  CPN  16           HD2      PCY  16   4.457 -12.736   2.133
  190   1H3'  CPN  16           HG1      PCY  16   4.189 -14.673   0.961
  191   2H3'  CPN  16           HG2      PCY  16   3.676 -13.823  -0.513
  192   1H5'  CPN  16          HA21      PCY  16   0.843 -15.028   2.344
  193   2H5'  CPN  16          HA22      PCY  16   2.565 -15.173   2.688
  194   1H8'  CPN  16           HB1      PCY  16   2.481 -12.582  -1.035
  195   2H8'  CPN  16           HB2      PCY  16   1.203 -11.599  -0.337
  196   1HN4  CPN  16           H41      PCY  16  -2.300 -12.332  -5.633
  197   2HN4  CPN  16           H42      PCY  16  -0.787 -12.123  -6.486
  198    H5   CPN  16           H5       PCY  16   1.365 -12.257  -5.382
  199    H6   CPN  16           H6       PCY  16   2.510 -12.530  -3.234
  200   1HN   NH2  17           HN3      PCY  16   2.692 -18.375   2.203
  201   2HN   NH2  17           HN4      PCY  16   2.294 -17.147   3.383
   
  Start of MODEL    7
    1   1H5*    G   1          H5''        G   1 -13.560 -10.462  -2.166
    2   2H5*    G   1           H5'        G   1 -13.274 -11.946  -3.098
    3    H4*    G   1           H4'        G   1 -12.292 -12.101  -0.842
    4    H3*    G   1           H3'        G   1 -11.531  -9.404  -1.329
    5   1H2*    G   1          H2''        G   1  -8.969 -10.226  -0.591
    6   2H2*    G   1           H2'        G   1  -9.465  -9.717  -2.229
    7    H1*    G   1           H1'        G   1  -9.010 -12.441  -1.125
    8    H8     G   1           H8         G   1  -9.856 -11.272  -4.728
    9    H1     G   1           H1         G   1  -3.716 -12.745  -3.725
   10   1H2     G   1           H21        G   1  -3.419 -13.338  -1.599
   11   2H2     G   1           H22        G   1  -4.676 -13.119  -0.400
   12    H5T    G   1           H5T        G   1 -11.314 -10.678  -3.849
   13   1H5*    A   2          H5''        A   2  -9.040 -11.053   3.107
   14   2H5*    A   2           H5'        A   2  -8.826 -12.048   1.652
   15    H4*    A   2           H4'        A   2  -6.816 -11.942   3.179
   16    H3*    A   2           H3'        A   2  -7.261  -9.079   2.725
   17   1H2*    A   2          H2''        A   2  -4.404  -9.447   2.701
   18   2H2*    A   2           H2'        A   2  -5.442  -8.614   1.510
   19    H1*    A   2           H1'        A   2  -4.240 -11.274   1.402
   20    H8     A   2           H8         A   2  -6.889  -9.478  -0.831
   21   1H6     A   2           H61        A   2  -2.288  -8.885  -4.884
   22   2H6     A   2           H62        A   2  -4.028  -8.899  -4.705
   23    H2     A   2           H2         A   2  -0.677 -11.037  -1.260
   24   1H5*    C   3          H5''        C   3  -3.223  -9.385   6.276
   25   2H5*    C   3           H5'        C   3  -3.390 -10.443   4.860
   26    H4*    C   3           H4'        C   3  -1.032  -9.739   5.341
   27    H3*    C   3           H3'        C   3  -2.302  -7.094   5.273
   28   1H2*    C   3          H2''        C   3   0.252  -6.751   4.004
   29   2H2*    C   3           H2'        C   3  -1.367  -6.317   3.381
   30    H1*    C   3           H1'        C   3   0.345  -8.630   2.767
   31   1H4     C   3           H41        C   3  -1.482  -6.498  -2.916
   32   2H4     C   3           H42        C   3  -3.161  -6.831  -2.547
   33    H5     C   3           H5         C   3  -3.871  -6.881  -0.174
   34    H6     C   3           H6         C   3  -3.182  -7.674   2.037
   35   1H5*    A   4          H5''        A   4   2.807  -6.167   6.766
   36   2H5*    A   4           H5'        A   4   2.721  -7.256   5.366
   37    H4*    A   4           H4'        A   4   4.571  -5.528   5.284
   38    H3*    A   4           H3'        A   4   2.340  -3.773   5.813
   39   1H2*    A   4          H2''        A   4   3.465  -2.330   3.689
   40   2H2*    A   4           H2'        A   4   1.876  -3.144   3.704
   41    H1*    A   4           H1'        A   4   4.469  -4.032   2.526
   42    H8     A   4           H8         A   4   0.704  -4.965   2.462
   43   1H6     A   4           H61        A   4   0.840  -2.802  -3.313
   44   2H6     A   4           H62        A   4  -0.133  -3.656  -2.136
   45    H2     A   4           H2         A   4   4.989  -2.530  -1.632
   46   1H5*    T   5          H5''        T   5   6.653  -1.250   4.692
   47   2H5*    T   5           H5'        T   5   5.908  -2.218   3.405
   48    H4*    T   5           H4'        T   5   7.317  -0.108   2.780
   49    H3*    T   5           H3'        T   5   5.093   1.077   4.236
   50   1H2*    T   5          H2''        T   5   5.209   2.736   1.936
   51   2H2*    T   5           H2'        T   5   3.841   1.721   2.476
   52    H1*    T   5           H1'        T   5   5.894   1.225   0.389
   53    H3     T   5           H3         T   5   2.592   1.328  -2.601
   54   1H5M    T   5           H51        T   5   0.234  -0.390   1.673
   55   2H5M    T   5           H52        T   5   0.838  -1.974   1.130
   56   3H5M    T   5           H53        T   5  -0.300  -1.055   0.110
   57    H6     T   5           H6         T   5   2.963  -0.608   1.780
   58   1H5*    A   6          H5''        A   6   8.530   4.089   1.694
   59   2H5*    A   6           H5'        A   6   7.636   2.676   1.098
   60    H4*    A   6           H4'        A   6   8.297   4.324  -0.689
   61    H3*    A   6           H3'        A   6   6.895   6.112   1.157
   62   1H2*    A   6          H2''        A   6   6.169   7.008  -1.480
   63   2H2*    A   6           H2'        A   6   5.108   6.591  -0.105
   64    H1*    A   6           H1'        A   6   5.833   5.036  -2.480
   65    H8     A   6           H8         A   6   3.807   3.739   0.546
   66   1H6     A   6           H61        A   6  -1.175   4.936  -2.915
   67   2H6     A   6           H62        A   6  -0.621   4.328  -1.370
   68    H2     A   6           H2         A   6   2.432   6.355  -5.154
   69   1H5*    G   7          H5''        G   7   8.939   7.802  -3.185
   70   2H5*    G   7           H5'        G   7   7.630   6.608  -3.291
   71    H4*    G   7           H4'        G   7   8.000   8.190  -5.294
   72    H3*    G   7           H3'        G   7   7.248  10.063  -3.148
   73   1H2*    G   7          H2''        G   7   6.029  10.833  -5.713
   74   2H2*    G   7           H2'        G   7   5.357  10.912  -4.060
   75    H1*    G   7           H1'        G   7   4.761   9.009  -6.068
   76    H8     G   7           H8         G   7   4.864   8.482  -2.230
   77    H1     G   7           H1         G   7  -0.962   9.342  -4.747
   78   1H2     G   7           H21        G   7  -0.780   9.927  -6.871
   79   2H2     G   7           H22        G   7   0.772  10.133  -7.654
   80   1H5*    C   8          H5''        C   8   8.433  12.968  -7.571
   81   2H5*    C   8           H5'        C   8   7.715  11.355  -7.391
   82    H4*    C   8           H4'        C   8   6.574  12.720  -9.126
   83    H3*    C   8           H3'        C   8   6.530  14.657  -6.907
   84   1H2*    C   8          H2''        C   8   4.087  14.935  -8.463
   85   2H2*    C   8           H2'        C   8   4.312  14.904  -6.692
   86    H1*    C   8           H1'        C   8   3.366  12.808  -8.433
   87   1H4     C   8           H41        C   8   0.187  11.874  -3.039
   88   2H4     C   8           H42        C   8   1.641  12.006  -2.074
   89    H5     C   8           H5         C   8   3.757  12.754  -3.014
   90    H6     C   8           H6         C   8   5.021  13.015  -5.093
   91    H3T    C   8           H3T        C   8   5.980  14.859  -9.695
   92   1H1'  GPN   9           HN1      PGU   9  -9.871  17.611  -6.595
   93   2H1'  GPN   9           HN2      PGU   9 -10.012  15.999  -7.254
   94   1H2'  GPN   9           HD1      PGU   9  -7.487  17.355  -7.043
   95   2H2'  GPN   9           HD2      PGU   9  -8.670  17.742  -8.314
   96   1H3'  GPN   9           HG1      PGU   9  -6.679  15.897  -8.597
   97   2H3'  GPN   9           HG2      PGU   9  -8.213  15.848  -9.498
   98   1H5'  GPN   9          HA21      PGU   9  -9.959  13.579  -7.452
   99   2H5'  GPN   9          HA22      PGU   9  -9.852  14.366  -9.026
  100   1H8'  GPN   9           HB1      PGU   9  -6.347  15.708  -6.045
  101   2H8'  GPN   9           HB2      PGU   9  -5.481  14.928  -7.369
  102    H8   GPN   9           H8       PGU   9  -6.346  13.962  -3.698
  103    HN1  GPN   9           H1       PGU   9  -0.553  12.239  -5.793
  104   1HN2  GPN   9           H21      PGU   9  -0.313  12.832  -7.921
  105   2HN2  GPN   9           H22      PGU   9  -1.640  13.478  -8.862
  106   1H1'  CPN  10           HN       PCY  10  -8.801  11.481  -7.137
  107   1H2'  CPN  10           HD1      PCY  10  -9.405   9.632  -9.330
  108   2H2'  CPN  10           HD2      PCY  10  -8.269   9.308  -8.000
  109   1H3'  CPN  10           HG1      PCY  10  -6.721  10.957  -9.513
  110   2H3'  CPN  10           HG2      PCY  10  -7.724  10.239 -10.793
  111   1H5'  CPN  10          HA21      PCY  10  -7.557   8.094 -11.396
  112   2H5'  CPN  10          HA22      PCY  10  -7.293   6.919 -10.109
  113   1H8'  CPN  10           HB1      PCY  10  -6.077  10.471  -7.724
  114   2H8'  CPN  10           HB2      PCY  10  -4.438  10.459  -8.377
  115   1HN4  CPN  10           H41      PCY  10  -2.094   8.377  -2.847
  116   2HN4  CPN  10           H42      PCY  10  -3.682   7.856  -2.329
  117    H5   CPN  10           H5       PCY  10  -5.559   7.719  -3.871
  118    H6   CPN  10           H6       PCY  10  -6.464   8.544  -5.972
  119   1H1'  TPN  11           HN       PTH  11  -4.590   8.889 -11.228
  120   1H2'  TPN  11           HD1      PTH  11  -3.212   6.317 -12.101
  121   2H2'  TPN  11           HD2      PTH  11  -3.595   7.404 -13.451
  122   1H3'  TPN  11           HG1      PTH  11  -2.343   8.797 -11.159
  123   2H3'  TPN  11           HG2      PTH  11  -1.972   8.883 -12.889
  124   1H5'  TPN  11          HA21      PTH  11   0.263   7.406 -13.580
  125   2H5'  TPN  11          HA22      PTH  11  -1.180   6.414 -13.738
  126   1H8'  TPN  11           HB1      PTH  11  -2.038   8.163  -9.658
  127   2H8'  TPN  11           HB2      PTH  11  -0.437   8.628  -9.092
  128    H6   TPN  11           H6       PTH  11  -3.243   6.409  -8.711
  129    HN3  TPN  11           H3       PTH  11   0.166   6.244  -5.342
  130   1HM5  TPN  11           H51      PTH  11  -4.094   4.190  -6.284
  131   2HM5  TPN  11           H52      PTH  11  -4.787   5.407  -7.383
  132   3HM5  TPN  11           H53      PTH  11  -4.630   5.764  -5.646
  133   1H1'  APN  12           HN       PAD  12  -0.519   4.724 -11.251
  134   1H2'  APN  12           HD1      PAD  12   2.049   3.425 -12.407
  135   2H2'  APN  12           HD2      PAD  12   0.591   2.428 -12.206
  136   1H3'  APN  12           HG1      PAD  12   1.259   2.037 -10.072
  137   2H3'  APN  12           HG2      PAD  12   0.918   3.747  -9.725
  138   1H5'  APN  12          HA21      PAD  12   4.581   3.290 -11.449
  139   2H5'  APN  12          HA22      PAD  12   3.416   1.996 -11.692
  140   1H8'  APN  12           HB1      PAD  12   1.739   5.564  -9.033
  141   2H8'  APN  12           HB2      PAD  12   2.901   5.618  -7.714
  142    H8   APN  12           H8       PAD  12  -0.504   4.357  -8.500
  143   1HN6  APN  12           H61      PAD  12  -0.235   1.125  -3.263
  144   2HN6  APN  12           H62      PAD  12  -1.310   1.868  -4.429
  145    H21  APN  12           H2       PAD  12   3.870   2.754  -4.091
  146   1H1'  TPN  13           HN       PTH  13   6.108   3.096  -9.505
  147   1H2'  TPN  13           HD1      PTH  13   7.640   0.745  -9.722
  148   2H2'  TPN  13           HD2      PTH  13   6.416   0.206  -8.554
  149   1H3'  TPN  13           HG1      PTH  13   7.117   2.596  -7.433
  150   2H3'  TPN  13           HG2      PTH  13   8.638   2.178  -8.253
  151   1H5'  TPN  13          HA21      PTH  13   9.833   0.270  -5.844
  152   2H5'  TPN  13          HA22      PTH  13   9.958   0.554  -7.575
  153   1H8'  TPN  13           HB1      PTH  13   5.634   1.734  -6.734
  154   2H8'  TPN  13           HB2      PTH  13   5.841   2.039  -5.013
  155    H6   TPN  13           H6       PTH  13   3.571   1.124  -7.250
  156    HN3  TPN  13           H3       PTH  13   3.342  -1.655  -3.349
  157   1HM5  TPN  13           H51      PTH  13   0.519  -0.929  -6.936
  158   2HM5  TPN  13           H52      PTH  13   1.734  -0.614  -8.198
  159   3HM5  TPN  13           H53      PTH  13   0.954   0.746  -7.356
  160   1H1'  GPN  14           HN       PGU  14   7.467  -1.681  -6.325
  161   1H2'  GPN  14           HD1      PGU  14   9.193  -3.929  -7.579
  162   2H2'  GPN  14           HD2      PGU  14   7.434  -3.999  -7.304
  163   1H3'  GPN  14           HG1      PGU  14   8.144  -3.660  -4.761
  164   2H3'  GPN  14           HG2      PGU  14   9.703  -4.299  -5.326
  165   1H5'  GPN  14          HA21      PGU  14   9.955  -6.466  -6.014
  166   2H5'  GPN  14          HA22      PGU  14   8.617  -6.988  -7.038
  167   1H8'  GPN  14           HB1      PGU  14   6.332  -3.818  -4.862
  168   2H8'  GPN  14           HB2      PGU  14   6.325  -4.680  -3.325
  169    H8   GPN  14           H8       PGU  14   4.086  -3.572  -6.087
  170    HN1  GPN  14           H1       PGU  14   1.107  -6.998  -1.589
  171   1HN2  GPN  14           H21      PGU  14   2.593  -7.675  -0.073
  172   2HN2  GPN  14           H22      PGU  14   4.313  -7.633  -0.390
  173   1H1'  TPN  15           HN       PTH  15   7.408  -8.829  -6.534
  174   1H2'  TPN  15           HD1      PTH  15   8.845 -10.691  -4.598
  175   2H2'  TPN  15           HD2      PTH  15   7.388 -11.060  -5.557
  176   1H3'  TPN  15           HG1      PTH  15   6.558  -9.052  -3.780
  177   2H3'  TPN  15           HG2      PTH  15   7.591 -10.098  -2.778
  178   1H5'  TPN  15          HA21      PTH  15   7.251 -12.585  -3.113
  179   2H5'  TPN  15          HA22      PTH  15   6.130 -13.000  -4.412
  180   1H8'  TPN  15           HB1      PTH  15   4.982  -8.671  -4.367
  181   2H8'  TPN  15           HB2      PTH  15   4.351  -8.818  -2.729
  182    H6   TPN  15           H6       PTH  15   3.669  -7.978  -6.000
  183    HN3  TPN  15           H3       PTH  15  -0.227  -9.252  -3.496
  184   1HM5  TPN  15           H51      PTH  15   1.412  -6.277  -7.228
  185   2HM5  TPN  15           H52      PTH  15   0.542  -7.702  -7.845
  186   3HM5  TPN  15           H53      PTH  15   2.317  -7.629  -7.949
  187   1H1'  CPN  16           HN       PCY  16   4.709 -11.503  -1.630
  188   1H2'  CPN  16           HD1      PCY  16   4.261 -13.547   0.271
  189   2H2'  CPN  16           HD2      PCY  16   3.224 -14.089  -1.076
  190   1H3'  CPN  16           HG1      PCY  16   2.494 -11.510  -1.054
  191   2H3'  CPN  16           HG2      PCY  16   2.990 -11.650   0.648
  192   1H5'  CPN  16          HA21      PCY  16   1.803 -12.984   2.150
  193   2H5'  CPN  16          HA22      PCY  16   0.361 -13.878   1.668
  194   1H8'  CPN  16           HB1      PCY  16   1.115 -14.395  -2.688
  195   2H8'  CPN  16           HB2      PCY  16   1.981 -12.896  -2.390
  196   1HN4  CPN  16           H41      PCY  16  -3.163 -11.722  -6.458
  197   2HN4  CPN  16           H42      PCY  16  -1.717 -11.279  -7.339
  198    H5   CPN  16           H5       PCY  16   0.432 -11.099  -6.238
  199    H6   CPN  16           H6       PCY  16   1.715 -11.652  -4.242
  200   1HN   NH2  17           HN3      PCY  16  -1.580 -12.548   2.972
  201   2HN   NH2  17           HN4      PCY  16  -1.378 -10.814   3.063
   
  Start of MODEL    8
    1   1H5*    G   1          H5''        G   1 -12.423 -12.639  -3.774
    2   2H5*    G   1           H5'        G   1 -11.579 -11.122  -4.148
    3    H4*    G   1           H4'        G   1 -11.758 -12.423  -1.403
    4    H3*    G   1           H3'        G   1 -11.219  -9.722  -2.137
    5   1H2*    G   1          H2''        G   1  -8.724 -10.151  -0.958
    6   2H2*    G   1           H2'        G   1  -9.021  -9.887  -2.699
    7    H1*    G   1           H1'        G   1  -8.473 -12.401  -1.206
    8    H8     G   1           H8         G   1  -8.853 -11.726  -5.013
    9    H1     G   1           H1         G   1  -2.844 -12.459  -2.948
   10   1H2     G   1           H21        G   1  -2.834 -12.689  -0.737
   11   2H2     G   1           H22        G   1  -4.302 -12.631   0.217
   12    H5T    G   1           H5T        G   1 -13.091 -10.440  -2.223
   13   1H5*    A   2          H5''        A   2  -9.303 -10.670   2.768
   14   2H5*    A   2           H5'        A   2  -8.771 -11.773   1.484
   15    H4*    A   2           H4'        A   2  -7.050 -11.356   3.270
   16    H3*    A   2           H3'        A   2  -7.714  -8.603   2.622
   17   1H2*    A   2          H2''        A   2  -4.881  -8.477   2.801
   18   2H2*    A   2           H2'        A   2  -5.913  -8.047   1.407
   19    H1*    A   2           H1'        A   2  -4.312 -10.473   1.911
   20    H8     A   2           H8         A   2  -6.639  -9.448  -1.039
   21   1H6     A   2           H61        A   2  -1.394  -9.099  -4.283
   22   2H6     A   2           H62        A   2  -3.140  -9.136  -4.378
   23    H2     A   2           H2         A   2  -0.321  -9.912   0.004
   24   1H5*    C   3          H5''        C   3  -3.867  -8.310   6.442
   25   2H5*    C   3           H5'        C   3  -3.749  -9.480   5.114
   26    H4*    C   3           H4'        C   3  -1.560  -8.438   5.733
   27    H3*    C   3           H3'        C   3  -3.140  -6.001   5.427
   28   1H2*    C   3          H2''        C   3  -0.623  -5.343   4.249
   29   2H2*    C   3           H2'        C   3  -2.249  -5.225   3.516
   30    H1*    C   3           H1'        C   3  -0.144  -7.253   3.162
   31   1H4     C   3           H41        C   3  -1.836  -6.193  -2.824
   32   2H4     C   3           H42        C   3  -3.538  -6.114  -2.421
   33    H5     C   3           H5         C   3  -4.337  -6.174  -0.119
   34    H6     C   3           H6         C   3  -3.711  -6.708   2.189
   35   1H5*    A   4          H5''        A   4   1.924  -4.635   6.776
   36   2H5*    A   4           H5'        A   4   1.614  -5.913   5.584
   37    H4*    A   4           H4'        A   4   3.580  -4.462   5.031
   38    H3*    A   4           H3'        A   4   1.661  -2.370   5.572
   39   1H2*    A   4          H2''        A   4   2.729  -1.356   3.171
   40   2H2*    A   4           H2'        A   4   1.048  -1.883   3.466
   41    H1*    A   4           H1'        A   4   3.280  -3.296   2.098
   42    H8     A   4           H8         A   4  -0.540  -3.605   2.699
   43   1H6     A   4           H61        A   4  -1.023  -2.684  -3.391
   44   2H6     A   4           H62        A   4  -1.905  -3.146  -1.950
   45    H2     A   4           H2         A   4   3.324  -2.601  -2.305
   46   1H5*    T   5          H5''        T   5   6.302  -1.166   3.823
   47   2H5*    T   5           H5'        T   5   5.124  -2.174   2.959
   48    H4*    T   5           H4'        T   5   6.975  -1.078   1.560
   49    H3*    T   5           H3'        T   5   5.843   1.283   2.765
   50   1H2*    T   5          H2''        T   5   5.800   2.176   0.126
   51   2H2*    T   5           H2'        T   5   4.367   1.802   1.127
   52    H1*    T   5           H1'        T   5   5.739   0.137  -0.953
   53    H3     T   5           H3         T   5   2.306   0.974  -3.657
   54   1H5M    T   5           H51        T   5   0.128  -0.930   0.782
   55   2H5M    T   5           H52        T   5  -0.822   0.043  -0.371
   56   3H5M    T   5           H53        T   5   0.038   0.837   0.971
   57    H6     T   5           H6         T   5   2.603  -0.182   0.997
   58   1H5*    A   6          H5''        A   6   8.740   1.983  -1.773
   59   2H5*    A   6           H5'        A   6   7.179   2.239  -0.976
   60    H4*    A   6           H4'        A   6   8.959   4.286  -2.329
   61    H3*    A   6           H3'        A   6   7.076   4.661  -0.090
   62   1H2*    A   6          H2''        A   6   6.695   6.796  -2.034
   63   2H2*    A   6           H2'        A   6   5.483   5.823  -1.155
   64    H1*    A   6           H1'        A   6   6.366   5.583  -3.885
   65    H8     A   6           H8         A   6   4.511   3.262  -1.340
   66   1H6     A   6           H61        A   6  -0.535   4.650  -4.614
   67   2H6     A   6           H62        A   6   0.095   3.689  -3.294
   68    H2     A   6           H2         A   6   2.979   6.550  -6.642
   69   1H5*    G   7          H5''        G   7   9.426   9.224  -1.946
   70   2H5*    G   7           H5'        G   7   9.008   7.712  -2.775
   71    H4*    G   7           H4'        G   7   8.651   9.750  -4.173
   72    H3*    G   7           H3'        G   7   6.970  10.468  -1.827
   73   1H2*    G   7          H2''        G   7   5.963  11.604  -4.343
   74   2H2*    G   7           H2'        G   7   5.075  10.881  -2.975
   75    H1*    G   7           H1'        G   7   5.756   9.686  -5.500
   76    H8     G   7           H8         G   7   4.906   8.135  -2.054
   77    H1     G   7           H1         G   7  -0.069   9.026  -5.969
   78   1H2     G   7           H21        G   7   0.630  10.014  -7.834
   79   2H2     G   7           H22        G   7   2.320  10.348  -8.141
   80   1H5*    C   8          H5''        C   8   7.714  13.790  -6.771
   81   2H5*    C   8           H5'        C   8   6.982  12.210  -7.105
   82    H4*    C   8           H4'        C   8   5.599  14.100  -7.927
   83    H3*    C   8           H3'        C   8   5.953  14.992  -5.124
   84   1H2*    C   8          H2''        C   8   3.361  15.828  -6.187
   85   2H2*    C   8           H2'        C   8   3.776  15.163  -4.583
   86    H1*    C   8           H1'        C   8   2.584  13.822  -6.846
   87   1H4     C   8           H41        C   8   0.165  10.458  -2.047
   88   2H4     C   8           H42        C   8   1.638  10.608  -1.115
   89    H5     C   8           H5         C   8   3.441  12.092  -1.777
   90    H6     C   8           H6         C   8   4.455  13.251  -3.676
   91    H3T    C   8           H3T        C   8   6.634  16.208  -6.933
   92   1H1'  GPN   9           HN1      PGU   9 -10.060  12.217  -4.327
   93   2H1'  GPN   9           HN2      PGU   9 -10.900  12.559  -2.830
   94   1H2'  GPN   9           HD1      PGU   9  -9.427  14.469  -2.721
   95   2H2'  GPN   9           HD2      PGU   9 -10.857  14.568  -3.774
   96   1H3'  GPN   9           HG1      PGU   9  -8.113  14.994  -4.468
   97   2H3'  GPN   9           HG2      PGU   9  -9.544  15.068  -5.524
   98   1H5'  GPN   9          HA21      PGU   9 -10.034  13.478  -6.979
   99   2H5'  GPN   9          HA22      PGU   9  -9.727  11.795  -6.556
  100   1H8'  GPN   9           HB1      PGU   9  -7.519  13.120  -3.005
  101   2H8'  GPN   9           HB2      PGU   9  -6.328  13.903  -4.039
  102    H8   GPN   9           H8       PGU   9  -6.674  11.044  -1.602
  103    HN1  GPN   9           H1       PGU   9  -0.889  11.530  -4.289
  104   1HN2  GPN   9           H21      PGU   9  -0.985  12.840  -6.075
  105   2HN2  GPN   9           H22      PGU   9  -2.488  13.527  -6.651
  106   1H1'  CPN  10           HN       PCY  10  -6.897  13.722  -7.184
  107   1H2'  CPN  10           HD1      PCY  10  -5.307  13.328  -8.933
  108   2H2'  CPN  10           HD2      PCY  10  -6.666  13.610 -10.048
  109   1H3'  CPN  10           HG1      PCY  10  -7.156  11.270 -10.185
  110   2H3'  CPN  10           HG2      PCY  10  -6.111  10.889  -8.801
  111   1H5'  CPN  10          HA21      PCY  10  -5.037  12.192 -12.523
  112   2H5'  CPN  10          HA22      PCY  10  -6.438  11.173 -12.214
  113   1H8'  CPN  10           HB1      PCY  10  -4.277  12.058  -8.263
  114   2H8'  CPN  10           HB2      PCY  10  -2.571  11.950  -8.631
  115   1HN4  CPN  10           H41      PCY  10  -1.851   8.046  -3.998
  116   2HN4  CPN  10           H42      PCY  10  -3.583   7.936  -3.771
  117    H5   CPN  10           H5       PCY  10  -5.142   9.242  -5.146
  118    H6   CPN  10           H6       PCY  10  -5.459  10.238  -7.308
  119   1H1'  TPN  11           HN       PTH  11  -4.780   8.818 -11.309
  120   1H2'  TPN  11           HD1      PTH  11  -4.203   7.912 -14.172
  121   2H2'  TPN  11           HD2      PTH  11  -4.166   6.900 -12.710
  122   1H3'  TPN  11           HG1      PTH  11  -2.107   8.789 -12.336
  123   2H3'  TPN  11           HG2      PTH  11  -1.981   8.319 -14.046
  124   1H5'  TPN  11          HA21      PTH  11  -1.935   6.007 -14.650
  125   2H5'  TPN  11          HA22      PTH  11  -2.620   4.950 -13.418
  126   1H8'  TPN  11           HB1      PTH  11  -1.785   8.454 -10.717
  127   2H8'  TPN  11           HB2      PTH  11  -0.066   8.091 -10.525
  128    H6   TPN  11           H6       PTH  11  -3.406   7.254  -9.344
  129    HN3  TPN  11           H3       PTH  11   0.284   6.127  -6.495
  130   1HM5  TPN  11           H51      PTH  11  -4.346   5.928  -6.035
  131   2HM5  TPN  11           H52      PTH  11  -4.574   5.145  -7.617
  132   3HM5  TPN  11           H53      PTH  11  -4.936   6.877  -7.422
  133   1H1'  APN  12           HN       PAD  12   0.710   6.180 -13.052
  134   1H2'  APN  12           HD1      PAD  12   2.726   4.896 -13.623
  135   2H2'  APN  12           HD2      PAD  12   1.744   3.530 -14.204
  136   1H3'  APN  12           HG1      PAD  12   1.566   2.596 -12.112
  137   2H3'  APN  12           HG2      PAD  12   1.491   4.177 -11.305
  138   1H5'  APN  12          HA21      PAD  12   5.153   3.587 -12.963
  139   2H5'  APN  12          HA22      PAD  12   3.841   2.594 -13.593
  140   1H8'  APN  12           HB1      PAD  12   2.388   5.360 -10.110
  141   2H8'  APN  12           HB2      PAD  12   3.588   5.128  -8.847
  142    H8   APN  12           H8       PAD  12   0.120   3.988  -9.839
  143   1HN6  APN  12           H61      PAD  12   0.111   1.073  -4.411
  144   2HN6  APN  12           H62      PAD  12  -0.842   1.490  -5.817
  145    H21  APN  12           H2       PAD  12   4.385   2.078  -5.436
  146   1H1'  TPN  13           HN       PTH  13   3.756   1.349 -10.734
  147   1H2'  TPN  13           HD1      PTH  13   5.935  -0.721 -11.484
  148   2H2'  TPN  13           HD2      PTH  13   4.498  -1.040 -10.486
  149   1H3'  TPN  13           HG1      PTH  13   5.591   0.737  -8.855
  150   2H3'  TPN  13           HG2      PTH  13   7.084   0.323  -9.733
  151   1H5'  TPN  13          HA21      PTH  13   8.132  -1.625  -9.453
  152   2H5'  TPN  13          HA22      PTH  13   7.033  -2.991  -9.623
  153   1H8'  TPN  13           HB1      PTH  13   3.925  -0.079  -8.331
  154   2H8'  TPN  13           HB2      PTH  13   4.568   0.066  -6.702
  155    H6   TPN  13           H6       PTH  13   1.772  -0.437  -8.530
  156    HN3  TPN  13           H3       PTH  13   1.633  -2.382  -4.151
  157   1HM5  TPN  13           H51      PTH  13  -1.596  -0.853  -7.086
  158   2HM5  TPN  13           H52      PTH  13  -0.868  -1.392  -8.620
  159   3HM5  TPN  13           H53      PTH  13  -0.636   0.282  -8.064
  160   1H1'  GPN  14           HN       PGU  14   6.745  -4.496  -7.912
  161   1H2'  GPN  14           HD1      PGU  14   9.226  -5.137  -6.516
  162   2H2'  GPN  14           HD2      PGU  14   7.616  -5.702  -6.013
  163   1H3'  GPN  14           HG1      PGU  14   7.586  -3.108  -5.080
  164   2H3'  GPN  14           HG2      PGU  14   9.306  -3.529  -4.889
  165   1H5'  GPN  14          HA21      PGU  14   9.332  -4.612  -2.190
  166   2H5'  GPN  14          HA22      PGU  14   9.943  -5.458  -3.608
  167   1H8'  GPN  14           HB1      PGU  14   5.984  -4.040  -5.247
  168   2H8'  GPN  14           HB2      PGU  14   5.471  -3.248  -3.771
  169    H8   GPN  14           H8       PGU  14   3.793  -4.348  -6.453
  170    HN1  GPN  14           H1       PGU  14   0.786  -6.454  -1.223
  171   1HN2  GPN  14           H21      PGU  14   2.180  -6.451   0.504
  172   2HN2  GPN  14           H22      PGU  14   3.859  -5.979   0.355
  173   1H1'  TPN  15           HN       PTH  15   8.740  -7.661  -4.070
  174   1H2'  TPN  15           HD1      PTH  15   9.265  -9.363  -1.718
  175   2H2'  TPN  15           HD2      PTH  15   8.261  -9.828  -3.114
  176   1H3'  TPN  15           HG1      PTH  15   6.561  -8.116  -1.850
  177   2H3'  TPN  15           HG2      PTH  15   7.439  -8.758  -0.441
  178   1H5'  TPN  15          HA21      PTH  15   7.874 -11.269  -0.552
  179   2H5'  TPN  15          HA22      PTH  15   7.209 -12.098  -1.959
  180   1H8'  TPN  15           HB1      PTH  15   5.224  -8.230  -2.907
  181   2H8'  TPN  15           HB2      PTH  15   4.208  -8.364  -1.474
  182    H6   TPN  15           H6       PTH  15   4.396  -8.432  -4.986
  183    HN3  TPN  15           H3       PTH  15   0.097  -9.412  -3.091
  184   1HM5  TPN  15           H51      PTH  15   1.602  -8.706  -7.421
  185   2HM5  TPN  15           H52      PTH  15   3.345  -9.029  -7.270
  186   3HM5  TPN  15           H53      PTH  15   2.725  -7.376  -7.049
  187   1H1'  CPN  16           HN       PCY  16   4.615 -10.931   0.016
  188   1H2'  CPN  16           HD1      PCY  16   3.143 -12.232   1.385
  189   2H2'  CPN  16           HD2      PCY  16   4.574 -13.040   2.077
  190   1H3'  CPN  16           HG1      PCY  16   4.316 -14.880   0.752
  191   2H3'  CPN  16           HG2      PCY  16   3.867 -13.914  -0.670
  192   1H5'  CPN  16          HA21      PCY  16   0.960 -15.237   2.055
  193   2H5'  CPN  16          HA22      PCY  16   2.674 -15.526   2.343
  194   1H8'  CPN  16           HB1      PCY  16   2.702 -12.622  -1.143
  195   2H8'  CPN  16           HB2      PCY  16   1.412 -11.670  -0.423
  196   1HN4  CPN  16           H41      PCY  16  -1.927 -12.080  -5.874
  197   2HN4  CPN  16           H42      PCY  16  -0.380 -12.040  -6.692
  198    H5   CPN  16           H5       PCY  16   1.729 -12.104  -5.510
  199    H6   CPN  16           H6       PCY  16   2.804 -12.444  -3.335
  200   1HN   NH2  17           HN3      PCY  16   2.156 -17.453   2.920
  201   2HN   NH2  17           HN4      PCY  16   2.579 -18.626   1.695
   
  No H/Q in entry =         201
   
  No H/Q in entry =         201