*HEADER    DNA                                     10-JAN-01   1HWV              
*TITLE     MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS                 
*TITLE    2 DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC            
*TITLE    3 ACTIVITY                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*CP*CP*AP*TP*CP*(+G)P*CP*TP*AP*CP*C)-3';              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3';                 
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED FROM ABI-DNA SYNTHESIZER;                 
*SOURCE   4 MOL_ID: 2;                                                           
*SOURCE   5 SYNTHETIC: YES;                                                      
*SOURCE   6 OTHER_DETAILS: SYNTHESIZED FROM ABI-DNA SYNTHESIZER                  
*KEYWDS    CARCINOGEN-DNA ADDUCT, BENZO[C]PHENANTHRENE DNA ADDUCT                
*EXPDTA    NMR, 7 STRUCTURES                                                     
*AUTHOR    D.J.PATEL, C.H.LIN, N.E.GEACINTOV, S.BROYDE, X.HUANG,                 
*AUTHOR   2 A.KOLBANOVSKII, B.E.HINGERTY, S.AMIN                                 
*REVDAT   1   21-MAR-01 1HWV    0                                                
!#############################################################################
!### NOE RESTRAINTS FROM 55, 100, 150, and 200 MS NOE BUILDUP EXPERIMENTS ####
!#############################################################################

assi (resi   1 and name h1'  and segi DNA1)
     (resi   1 and name h6   and segi DNA1)  3.33  0.50  0.50 !   18 -^-  0.52 

assi (resi   1 and name h6   and segi DNA1)
     (resi   1 and name h2'  and segi DNA1)  2.55  0.43  0.43 !  453 P--  0.30 

assi (resi   1 and name h6   and segi DNA1)
     (resi   1 and name h3'  and segi DNA1)  3.41  0.51  0.75 !  217 -v-  0.22 

assi (resi   1 and name h4'  and segi DNA1)
     (resi   1 and name h6   and segi DNA1)  3.73  0.47  0.75 !  112 -^-  0.75 

assi((resi   1 and name h5'  and segi DNA1)
  or (resi   1 and name h5'' and segi DNA1))
     (resi   1 and name h6   and segi DNA1)  3.81  0.39  0.75 !  110 -^-  0.84 

assi (resi   1 and name h5   and segi DNA1)
     (resi   1 and name h3'  and segi DNA1)  4.35  0.65  0.99 !  296 -v-  2.11 

assi (resi   1 and name h4'  and segi DNA1)
     (resi   1 and name h1'  and segi DNA1)  3.02  0.30  0.48 ! 

assi (resi   1 and name h1'  and segi DNA1)
     (resi   1 and name h2'' and segi DNA1)  2.38  0.32  0.32 !  531 P--  0.29 

assi (resi   1 and name h3'  and segi DNA1)
     (resi   1 and name h1'  and segi DNA1)  4.02  0.58  0.58 !  379 -v-  1.12 

assi (resi   1 and name h3'  and segi DNA1)
     (resi   1 and name h2'  and segi DNA1)  2.52  0.43  0.43 !  661 P--  0.17 

!#############################################################################

assi (resi   2 and name h5   and segi DNA1)
     (resi   1 and name h6   and segi DNA1)  3.72  0.50  0.50 !   21 -^-  0.55 

assi (resi   2 and name h6   and segi DNA1)
     (resi   1 and name h1'  and segi DNA1)  3.78  0.50  0.50 !  168 -^-  0.54 

assi (resi   2 and name h6   and segi DNA1)
     (resi   1 and name h2'  and segi DNA1)  2.71  0.34  0.54 !  475 P--  0.47 
assi (resi   2 and name h6   and segi DNA1)
     (resi   1 and name h2'' and segi DNA1)  2.98  0.40  0.50 !  479 -^-  0.56 

assi (resi   2 and name h6   and segi DNA1)
     (resi   1 and name h3'  and segi DNA1)  3.78  0.58  0.76 !  216 -v-  0.36 

assi (resi   2 and name h5   and segi DNA1)
     (resi   1 and name h3'  and segi DNA1)  4.13  0.63  0.99 !  276 -v-  2.21 

assi (resi   2 and name h5   and segi DNA1)
     (resi   1 and name h2'' and segi DNA1)  3.22  0.50  0.75 !  542 -^-  1.06 

!#############################################################################
assi (resi   2 and name h6   and segi DNA1)
     (resi   2 and name h1'  and segi DNA1)  3.62  0.56  0.56 !  190 -v-  0.68 

assi (resi   2 and name h6   and segi DNA1)
     (resi   2 and name h2'' and segi DNA1)  2.82  0.50  0.58 !  478 -^-  0.20 

assi (resi   2 and name h6   and segi DNA1)
     (resi   2 and name h3'  and segi DNA1)  3.33  0.52  0.99 !  213 -v-  0.18 

assi (resi   2 and name h5   and segi DNA1)
     (resi   2 and name h3'  and segi DNA1)  4.46  0.67  0.99 !  324 -v-  1.11 

assi (resi   2 and name h1'  and segi DNA1)
     (resi   2 and name h2'  and segi DNA1)  3.11  0.30  0.50 !  506 -^-  0.53 
assi (resi   2 and name h1'  and segi DNA1)
     (resi   2 and name h2'' and segi DNA1)  2.50  0.50  0.32 !  507 P--  0.48 

assi (resi   2 and name h1'  and segi DNA1)
     (resi   2 and name h3'  and segi DNA1)  3.49  0.35  0.35 !  325 -^-  0.67 

assi (resi   2 and name h1'  and segi DNA1)
     (resi   2 and name h4'  and segi DNA1)  2.96  0.29  0.65 !  279 -^-  0.42 

assi (resi   2 and name h3'  and segi DNA1)
     (resi   2 and name h2'  and segi DNA1)  2.43  0.42  0.42 !  671 P--  0.37 

!#############################################################################
assi (resi   2 and name h6   and segi DNA1)
     (resi   3 and name h8   and segi DNA1)  4.65  0.58  0.58 !  360 -^-  1.26 

assi (resi   3 and name h8   and segi DNA1)
     (resi   2 and name h1'  and segi DNA1)  3.76  0.58  0.58 !  187 -v-  0.61 

assi (resi   3 and name h8   and segi DNA1)
     (resi   2 and name h3'  and segi DNA1)  4.46  0.45  0.75 !  233 -^-  1.29 

assi (resi   3 and name h8   and segi DNA1)
     (resi   2 and name h2'  and segi DNA1)  3.69  0.50  0.50 !  426 -^-  0.23
assi (resi   3 and name h8   and segi DNA1)
     (resi   2 and name h2'' and segi DNA1)  3.09  0.60  0.50 !  425 P--  0.54 

!#############################################################################
assi (resi   3 and name h8   and segi DNA1)
     (resi   3 and name h1'  and segi DNA1)  3.67  0.56  0.56 !  147 -v-  0.24 

assi (resi   3 and name h8   and segi DNA1)
     (resi   3 and name h2'  and segi DNA1)  2.39  0.32  0.32 !  430 P--  0.46 
assi (resi   3 and name h8   and segi DNA1)
     (resi   3 and name h2'' and segi DNA1)  2.97  0.30  0.60 !  431 -^-  0.77 

assi (resi   3 and name h8   and segi DNA1)
     (resi   3 and name h3'  and segi DNA1)  3.78  0.57  0.75 !  235 -v-  1.19 

assi (resi   3 and name h8   and segi DNA1)
     (resi   3 and name h4'  and segi DNA1)  5.21  0.80  0.80 !  329 -v-  0.48 

assi (resi   3 and name h1'  and segi DNA1)
     (resi   3 and name h2'  and segi DNA1)  2.80  0.38  0.38 !  515 -^-  0.31 
assi (resi   3 and name h1'  and segi DNA1)
     (resi   3 and name h2'' and segi DNA1)  2.37  0.32  0.32 !  516 P--  0.45 

assi (resi   3 and name h2   and segi DNA1)
     (resi   3 and name h1'  and segi DNA1)  5.04  0.56  0.56 !  156 -v-  2.80 

assi (resi   3 and name h3'  and segi DNA1)
     (resi   3 and name h2'' and segi DNA1)  2.68  0.33  0.33 !  672 P--  0.28 

assi (resi   3 and name h1'  and segi DNA1)
     (resi   3 and name h3'  and segi DNA1)  3.64  0.56  0.56 !  271 -v-  1.08 

assi (resi   3 and name h4'  and segi DNA1)
     (resi   3 and name h1'  and segi DNA1)  3.07  0.31  0.65 !  374 P--  0.51 

assi (resi   3 and name h4'  and segi DNA1)
     (resi   3 and name h2'  and segi DNA1)  3.79  0.57  0.57 !  677 -v-  1.24 
assi (resi   3 and name h4'  and segi DNA1)
     (resi   3 and name h2'' and segi DNA1)  3.88  0.58  0.58 !  676 -v-  0.78 

!#############################################################################
assi (resi   4 and name h6   and segi DNA1)
     (resi   3 and name h8   and segi DNA1)  4.92  0.74  0.74 !  358 -v-  0.69 

assi (resi   3 and name h8   and segi DNA1)
     (resi   4 and name h5#  and segi DNA1)  3.58  0.38  0.75 !  417 P--  0.39 

assi (resi   4 and name h6   and segi DNA1)
     (resi   3 and name h1'  and segi DNA1)  3.50  0.50  0.50 !  153 -^-  0.53 

assi (resi   4 and name h6   and segi DNA1)
     (resi   3 and name h2'' and segi DNA1)  2.75  0.50  0.75 !  446 P--  0.64 
assi (resi   4 and name h6   and segi DNA1)
     (resi   3 and name h2'  and segi DNA1)  3.01  0.50  0.75 !  487 P--  0.25 

assi (resi   4 and name h6   and segi DNA1)
     (resi   3 and name h3'  and segi DNA1)  4.47  0.70  0.99 !  236 -v-  1.94 

assi (resi   3 and name h4'  and segi DNA1)
     (resi   4 and name h6   and segi DNA1)  5.50  0.82  0.99 !  125 -v-  0.38  6.16

assi (resi   4 and name h5#  and segi DNA1)
     (resi   3 and name h1'  and segi DNA1)  4.91  0.80  0.80 !  613 -v-  1.93 

assi (resi   4 and name h5#  and segi DNA1)
     (resi   3 and name h2'  and segi DNA1)  3.52  0.50  0.75 !  705 -^-  0.31 
assi (resi   4 and name h5#  and segi DNA1)
     (resi   3 and name h2'' and segi DNA1)  3.69  0.50  0.75 !  706 -^-  0.67 

assi (resi   3 and name h3'  and segi DNA1)
     (resi   4 and name h5#  and segi DNA1)  4.51  0.50  0.99 !  647 -^-  1.21 

assi (resi   3 and name h2   and segi DNA1)
     (resi   4 and name h1'  and segi DNA1)  3.82  0.50  0.75 !  161 P--  0.73 

!#############################################################################
assi (resi   4 and name h6   and segi DNA1)
     (resi   4 and name h1'  and segi DNA1)  3.60  0.50  0.50 !  159 -^-  0.42 

assi (resi   4 and name h6   and segi DNA1)
     (resi   4 and name h2'  and segi DNA1)  2.35  0.39  0.39 !  466 -^-  0.22 
assi (resi   4 and name h6   and segi DNA1)
     (resi   4 and name h2'' and segi DNA1)  2.96  0.50  0.61 !  449 P--  0.42 

assi (resi   4 and name h6   and segi DNA1)
     (resi   4 and name h3'  and segi DNA1)  3.62  0.50  0.99 !  239 -^-  +0.5 

assi (resi   4 and name h4'  and segi DNA1)
     (resi   4 and name h6   and segi DNA1)  3.98  0.52  0.99 !  117 -v-  +0.5 

assi (resi   4 and name h1'  and segi DNA1)
     (resi   4 and name h2'  and segi DNA1)  2.88  0.39  0.59 !  539 -^-  0.22 
assi (resi   4 and name h1'  and segi DNA1)
     (resi   4 and name h2'' and segi DNA1)  2.27  0.31  0.31 !  543 P--  0.42 

assi (resi   4 and name h1'  and segi DNA1)
     (resi   4 and name h3'  and segi DNA1)  3.60  0.54  0.54 !  291 -v-  0.20 

assi (resi   4 and name h1'  and segi DNA1)
     (resi   4 and name h4'  and segi DNA1)  2.91  0.29  0.50 !  319 P--  0.26 

assi (resi   4 and name h2'  and segi DNA1)
     (resi   4 and name h5#  and segi DNA1)  3.67  0.47  0.99 !  695 -^l  1.21 
assi (resi   4 and name h2'' and segi DNA1)
     (resi   4 and name h5#  and segi DNA1)  5.50  1.10  1.10 !  694 -vl  4.80  5.60

assi (resi   4 and name h3'  and segi DNA1)
     (resi   4 and name h2'  and segi DNA1)  2.43  0.32  0.32 !  649 P--  0.31 

assi (resi   4 and name h1'  and segi DNA1)
     (resi   4 and name h5#  and segi DNA1)  5.50  0.82  0.99 !  501 -v>  3.28  5.63

assi (resi   4 and name h3'  and segi DNA1)
     (resi   4 and name h5#  and segi DNA1)  5.14  0.51  0.99 !  653 -^-  0.54 

!#############################################################################
assi (resi   5 and name h6   and segi DNA1)
     (resi   4 and name h6   and segi DNA1)  4.23  0.63  0.63 !  142 -v-  0.17 

assi (resi   5 and name h5   and segi DNA1)
     (resi   4 and name h6   and segi DNA1)  3.89  0.60  0.60 !   37 -v-  1.08 

assi (resi   5 and name h6   and segi DNA1)
     (resi   4 and name h1'  and segi DNA1)  3.81  0.46  0.56 !  197 -^-  0.60 

assi (resi   5 and name h6   and segi DNA1)
     (resi   4 and name h2'  and segi DNA1)  3.08  0.31  0.65 !  471 -^-  0.38 

assi (resi   5 and name h6   and segi DNA1)
     (resi   4 and name h3'  and segi DNA1)  3.84  0.38  0.99 !  210 -^-  0.36 

assi (resi   5 and name h5   and segi DNA1)
     (resi   4 and name h3'  and segi DNA1)  4.27  0.67  0.99 !  323 -v-  1.11 

assi (resi   5 and name h5   and segi DNA1)
     (resi   4 and name h2'  and segi DNA1)  3.45  0.45  0.75 !  536 -^-  0.50 
assi (resi   4 and name h2'' and segi DNA1)
     (resi   5 and name h5   and segi DNA1)  3.50  0.45  0.75 !  642 -^-  0.94 

assi (resi   5 and name h5   and segi DNA1)
     (resi   4 and name h5#  and segi DNA1)  4.71  0.75  0.99 !  497 -^-  1.86 

!#############################################################################
assi (resi   5 and name h6   and segi DNA1)
     (resi   5 and name h1'  and segi DNA1)  3.53  0.50  0.75 !   24 -v-  0.22 

assi (resi   5 and name h6   and segi DNA1)
     (resi   5 and name h2'  and segi DNA1)  2.30  0.32  0.32 !  473 P--  0.56 
assi (resi   5 and name h6   and segi DNA1)
     (resi   5 and name h2'' and segi DNA1)  2.69  0.37  0.85 !  485 -^-  0.17 

assi (resi   5 and name h6   and segi DNA1)
     (resi   5 and name h3'  and segi DNA1)  2.74  0.50  0.99 !  209 P--  0.39 

assi (resi   5 and name h4'  and segi DNA1)
     (resi   5 and name h6   and segi DNA1)  3.54  0.53  0.99 !  120 -v-  0.45 

assi (resi   5 and name h1'  and segi DNA1)
     (resi   5 and name h2'' and segi DNA1)  2.17  0.31  0.31 !  533 P--  0.47 

assi (resi   5 and name h5   and segi DNA1)
     (resi   5 and name h3'  and segi DNA1)  4.43  0.50  0.99 !  286 -^-  0.96 

assi (resi   5 and name h1'  and segi DNA1)
     (resi   5 and name h3'  and segi DNA1)  3.52  0.51  0.51 !  292 -v-  0.84 

assi (resi   5 and name h1'  and segi DNA1)
     (resi   5 and name h4'  and segi DNA1)  2.92  0.29  0.58 !  321 -^-  0.19 

!#############################################################################

assi (resi   6 and name h8   and segi DNA1)
     (resi   5 and name h2'  and segi DNA1)  3.63  0.38  0.58 !  427 P--  0.30 
assi (resi   6 and name h8   and segi DNA1)
     (resi   5 and name h2'' and segi DNA1)  3.49  0.56  0.56 !  428 -^-  0.44 

assi (resi   6 and name h8   and segi DNA1)
     (resi   5 and name h3'  and segi DNA1)  4.65  0.50  0.99 !  229 -^-  +0.5 

!#############################################################################
assi (resi   1 and name h11  and segi DRG1)
     (resi   5 and name h1'  and segi DNA1)  4.09  0.60  0.99 !  251 -v-  1.35 
assi (resi   1 and name h12  and segi DRG1)
     (resi   5 and name h1'  and segi DNA1)  4.09  0.99  0.99 !  noe is there

assi (resi   1 and name h11  and segi DRG1)
     (resi   5 and name h2'  and segi DNA1)  3.73  0.65  0.99 !  488 -^-  0.50 
assi (resi   1 and name h11  and segi DRG1)
     (resi   5 and name h2'' and segi DNA1)  3.60  0.65  0.99 !  489 -^-  0.48 

assi (resi   1 and name h10  and segi DRG1)
     (resi   5 and name h1'  and segi DNA1)  4.69  0.50  0.99 !  245 P--  0.67 

assi (resi   1 and name h10  and segi DRG1)
     (resi   5 and name h5   and segi DNA1)  4.09  0.50  0.99 !  244 -^>  3.94 

!#############################################################################
assi (resi   6 and name h8   and segi DNA1)
     (resi   6 and name h1'  and segi DNA1)  3.52  0.52  0.52 !  148 -v-  0.27 

assi (resi   6 and name h8   and segi DNA1)
     (resi   6 and name h2'  and segi DNA1)  2.34  0.32  0.32 !  436 P--  0.67 
assi (resi   6 and name h8   and segi DNA1)
     (resi   6 and name h2'' and segi DNA1)  2.88  0.39  0.99 !  437 -^-  0.50 

assi (resi   6 and name h8   and segi DNA1)
     (resi   6 and name h3'  and segi DNA1)  3.67  0.55  0.75 !  228 -v-  0.19 

assi (resi   6 and name h8   and segi DNA1)
     (resi   6 and name h4'  and segi DNA1)  4.91  0.77  0.77 !  332 -v-  1.99 

assi (resi   6 and name h1'  and segi DNA1)
     (resi   6 and name h2'  and segi DNA1)  2.80  0.38  0.48 !  537 -^-  0.31 
assi (resi   6 and name h1'  and segi DNA1)
     (resi   6 and name h2'' and segi DNA1)  2.37  0.32  0.32 !  538 P--  0.45 

assi (resi   6 and name h1'  and segi DNA1)
     (resi   6 and name h3'  and segi DNA1)  3.46  0.53  0.53 !  270 -v-  1.03 

assi (resi   6 and name h1'  and segi DNA1)
     (resi   6 and name h4'  and segi DNA1)  3.11  0.31  0.60 !  301 P--  0.28 

assi (resi   6 and name h4'  and segi DNA1)
     (resi   6 and name h2'' and segi DNA1)  4.15  0.62  0.62 !  679 -v-  0.43 

!#############################################################################
assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h8   and segi DNA1)  4.21  0.56  0.56 !  355 -^-  1.31 

assi (resi   7 and name h5   and segi DNA1)
     (resi   6 and name h8   and segi DNA1)  3.57  0.55  0.55 !   47 -^-  0.49 

assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h1'  and segi DNA1)  3.29  0.50  0.50 !  152 P--  0.60 

assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h2'  and segi DNA1)  2.94  0.34  0.64 !  441 P--  0.20 
assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h2'' and segi DNA1)  2.60  0.50  0.50 !  440 P-l  0.31 

assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h3'  and segi DNA1)  4.25  0.50  0.99 !  241 -^-  +0.5 

assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h4'  and segi DNA1)  5.10  0.50  0.99 !  347 -^-  1.30 


assi (resi   7 and name h5   and segi DNA1)
     (resi   6 and name h1'  and segi DNA1)  4.81  0.62  0.99 !  259 -v-  1.53 

assi (resi   7 and name h5   and segi DNA1)
     (resi   6 and name h2'  and segi DNA1)  3.40  0.50  0.66 !  514 P--  0.21 
assi (resi   7 and name h5   and segi DNA1)
     (resi   6 and name h2'' and segi DNA1)  3.45  0.50  0.53 !  513 -^-  0.67 

assi (resi   7 and name h5   and segi DNA1)
     (resi   6 and name h3'  and segi DNA1)  5.25  0.75  0.99 !  282 -v-  2.74 

!#############################################################################
assi (resi   1 and name h11  and segi DRG1)
     (resi   6 and name h1'  and segi DNA1)  4.25  0.50  0.99 !  711 -^l  +0.5 
assi (resi   1 and name h12  and segi DRG1)
     (resi   6 and name h1'  and segi DNA1)  4.50  0.75  0.99 !  

assi (resi   7 and name h1'  and segi DNA1)
     (resi   1 and name h2   and segi DRG1)  3.75  0.45  0.99 !  309 P--  

!#############################################################################
assi (resi   7 and name h6   and segi DNA1)
     (resi   7 and name h1'  and segi DNA1)  3.53  0.50  0.75 !   24 -v-  0.22 

assi (resi   7 and name h6   and segi DNA1)
     (resi   7 and name h2'  and segi DNA1)  2.35  0.50  0.32 !  472 P-l  0.66 
assi (resi   7 and name h6   and segi DNA1)
     (resi   7 and name h2'' and segi DNA1)  2.75  0.50  0.75 !  486 -^-  0.24 

assi (resi   7 and name h6   and segi DNA1)
     (resi   7 and name h3'  and segi DNA1)  3.86  0.58  0.99 !  208 -v-  2.10 

assi (resi   7 and name h4'  and segi DNA1)
     (resi   7 and name h6   and segi DNA1)  4.08  0.61  0.99 !  119 -v-  0.91 

assi (resi   7 and name h1'  and segi DNA1)
     (resi   7 and name h2'  and segi DNA1)  2.91  0.39  0.39 !  534 -^-  0.24 
assi (resi   7 and name h1'  and segi DNA1)
     (resi   7 and name h2'' and segi DNA1)  2.31  0.32  0.32 !  532 P--  0.50 

assi (resi   7 and name h1'  and segi DNA1)
     (resi   7 and name h3'  and segi DNA1)  3.87  0.62  0.62 !  322 -v-  1.75 

assi (resi   7 and name h1'  and segi DNA1)
     (resi   7 and name h4'  and segi DNA1)  2.93  0.29  0.59 !  320 P--  +0.5 

assi (resi   7 and name h3'  and segi DNA1)
     (resi   7 and name h2'  and segi DNA1)  2.50  0.33  0.33 !  669 P--  0.50 
assi (resi   7 and name h3'  and segi DNA1)
     (resi   7 and name h2'' and segi DNA1)  2.72  0.34  0.34 !  664 P--  0.19 

assi (resi   7 and name h5   and segi DNA1)
     (resi   7 and name h1'  and segi DNA1)  4.32  0.65  0.99 !  257 -^>  5.04 

assi (resi   7 and name h5   and segi DNA1)
     (resi   7 and name h2'' and segi DNA1)  4.55  0.67  0.99 !  510 -v-  1.21 

!#############################################################################
assi (resi   8 and name h6   and segi DNA1)
     (resi   7 and name h6   and segi DNA1)  4.75  0.55  0.55 !  164 -^-  0.23 

assi (resi   8 and name h6   and segi DNA1)
     (resi   7 and name h1'  and segi DNA1)  3.47  0.50  0.75 !  164 -^-  0.23 

assi (resi   8 and name h6   and segi DNA1)
     (resi   7 and name h2'' and segi DNA1)  2.67  0.45  0.47 !  456 P--  0.62 

assi (resi   8 and name h6   and segi DNA1)
     (resi   7 and name h3'  and segi DNA1)  4.60  0.81  0.99 !  240 -v>  2.35 

assi (resi   7 and name h6   and segi DNA1)
     (resi   8 and name h5#  and segi DNA1)  3.51  0.55  0.75 !  419 P--  0.19 

assi (resi   7 and name h5   and segi DNA1)
     (resi   8 and name h5#  and segi DNA1)  4.10  0.50  0.75 !  498 -^-  0.56 

assi (resi   8 and name h5#  and segi DNA1)
     (resi   7 and name h1'  and segi DNA1)  4.68  0.70  0.99 !  612 -v-  0.64 

assi (resi   8 and name h5#  and segi DNA1)
     (resi   7 and name h2'  and segi DNA1)  3.16  0.33  0.75 !  703 -^-  0.82 
assi (resi   8 and name h5#  and segi DNA1)
     (resi   7 and name h2'' and segi DNA1)  3.62  0.46  0.75 !  704 -^-  0.67 

assi (resi   7 and name h3'  and segi DNA1)
     (resi   8 and name h5#  and segi DNA1)  4.19  0.50  0.99 !  655 -^-  +0.5 

!#############################################################################
assi (resi   8 and name h6   and segi DNA1)
     (resi   8 and name h1'  and segi DNA1)  3.65  0.53  0.53 !  175 -v-  0.72 

assi (resi   8 and name h2'' and segi DNA1)
     (resi   8 and name h6   and segi DNA1)  2.91  0.39  0.75 !  596 -^-  0.28 

assi (resi   8 and name h6   and segi DNA1)
     (resi   8 and name h3'  and segi DNA1)  3.28  0.49  0.99 !  207 -v-  0.29 

assi (resi   8 and name h4'  and segi DNA1)
     (resi   8 and name h6   and segi DNA1)  4.00  0.51  0.99 !  121 -v-  +0.5 

assi (resi   8 and name h1'  and segi DNA1)
     (resi   8 and name h2'  and segi DNA1)  2.70  0.37  0.47 !  522 -^-  0.36 
assi (resi   8 and name h1'  and segi DNA1)
     (resi   8 and name h2'' and segi DNA1)  2.24  0.31  0.41 !  524 P--  0.41 

assi (resi   8 and name h1'  and segi DNA1)
     (resi   8 and name h3'  and segi DNA1)  3.62  0.56  0.56 !  278 -v-  0.42 

assi (resi   8 and name h1'  and segi DNA1)
     (resi   8 and name h4'  and segi DNA1)  2.90  0.29  0.54 !  311 P--  0.29 

assi (resi   8 and name h2'' and segi DNA1)
     (resi   8 and name h5#  and segi DNA1)  4.60  0.69  0.99 !  698 -v-  0.88 

assi (resi   8 and name h3'  and segi DNA1)
     (resi   8 and name h5#  and segi DNA1)  5.19  0.78  0.99 !  656 -v-  1.89 

!#############################################################################
assi (resi   9 and name h8   and segi DNA1)
     (resi   8 and name h6   and segi DNA1)  4.03  0.50  0.75 !  357 -^-  0.44

assi (resi   9 and name h8   and segi DNA1)
     (resi   8 and name h1'  and segi DNA1)  3.79  0.48  0.58 !  185 -^-  0.78 

assi (resi   9 and name h8   and segi DNA1)
     (resi   8 and name h2'  and segi DNA1)  3.47  0.54  0.64 !  423 -^-  0.85
assi (resi   9 and name h8   and segi DNA1)
     (resi   8 and name h2'' and segi DNA1)  2.98  0.50  0.50 !  424 -^-  0.84 

assi (resi   9 and name h8   and segi DNA1)
     (resi   8 and name h3'  and segi DNA1)  3.94  0.40  0.99 !  232 -^-  0.53 

!#############################################################################
assi (resi   9 and name h8   and segi DNA1)
     (resi   9 and name h1'  and segi DNA1)  3.53  0.54  0.54 !  146 -v-  0.87 

assi (resi   9 and name h8   and segi DNA1)
     (resi   9 and name h2'  and segi DNA1)  2.30  0.32  0.32 !  432 P--  0.59 
assi (resi   9 and name h8   and segi DNA1)
     (resi   9 and name h2'' and segi DNA1)  2.81  0.38  0.78 !  433 -^-  0.38 

assi (resi   9 and name h8   and segi DNA1)
     (resi   9 and name h3'  and segi DNA1)  3.45  0.52  0.99 !  234 -v-  0.64 

assi (resi   9 and name h8   and segi DNA1)
     (resi   9 and name h4'  and segi DNA1)  4.93  0.82  0.99 !  330 -v-  2.74  6.05

assi (resi   9 and name h2   and segi DNA1)
     (resi   9 and name h1'  and segi DNA1)  4.74  0.71  0.71 !  155 -v-  0.97 

assi (resi   9 and name h3'  and segi DNA1)
     (resi   9 and name h2'  and segi DNA1)  2.47  0.32  0.32 !  667 P--  0.35 
assi (resi   9 and name h3'  and segi DNA1)
     (resi   9 and name h2'' and segi DNA1)  2.75  0.34  0.34 !  668 P--  0.30 

assi (resi   9 and name h1'  and segi DNA1)
     (resi   9 and name h2'  and segi DNA1)  2.68  0.37  0.37 !  517 -^-  0.15 
assi (resi   9 and name h1'  and segi DNA1)
     (resi   9 and name h2'' and segi DNA1)  2.35  0.32  0.32 !  518 P--  0.58 

assi (resi   9 and name h1'  and segi DNA1)
     (resi   9 and name h3'  and segi DNA1)  3.56  0.53  0.53 !  269 -v-  0.50 

assi (resi   9 and name h1'  and segi DNA1)
     (resi   9 and name h4'  and segi DNA1)  2.99  0.29  0.55 !  299 P--  0.28 

assi (resi   9 and name h4'  and segi DNA1)
     (resi   9 and name h2'' and segi DNA1)  3.61  0.54  0.54 !  678 -v-  1.19 

!#############################################################################
assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h8   and segi DNA1)  4.18  0.40  0.60 !  357 -^-  0.44 

assi (resi  10 and name h5   and segi DNA1)
     (resi   9 and name h8   and segi DNA1)  3.52  0.44  0.64 !   45 -^-  0.51 

assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h1'  and segi DNA1)  3.29  0.50  0.50 !  151 -^-  0.45 

assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h3'  and segi DNA1)  4.07  0.61  0.99 !  205 -v-  1.54 

assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h4'  and segi DNA1)  5.14  1.03  1.03 !  346 0v>  7.35 

assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h2'  and segi DNA1)  2.94  0.35  0.65 !  442 P--  0.28 
assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h2'' and segi DNA1)  2.63  0.43  0.43 !  443 P--  0.49 

assi (resi  10 and name h5   and segi DNA1)
     (resi   9 and name h1'  and segi DNA1)  5.07  0.50  0.75 !  258 -^-  2.12 

assi (resi   9 and name h2'  and segi DNA1)
     (resi  10 and name h5   and segi DNA1)  3.61  0.50  0.99 !  623 -^-  0.49 
assi (resi  10 and name h5   and segi DNA1)
     (resi   9 and name h2'' and segi DNA1)  3.44  0.50  0.99 !  512 -^-  0.48 

assi (resi  10 and name h5   and segi DNA1)
     (resi   9 and name h3'  and segi DNA1)  5.04  0.77  0.99 !  283 -v-  1.80 

assi (resi  10 and name h5   and segi DNA1)
    ((resi   9 and name h5'  and segi DNA1)
  or (resi   9 and name h5'' and segi DNA1)) 4.66  0.62  0.99 !  281 -v-  +0.5 

!#############################################################################
assi (resi   9 and name h2   and segi DNA1)
     (resi  10 and name h1'  and segi DNA1)  4.13  0.50  0.75 !  165 -^-  1.45 

assi (resi  15 and name h2   and segi DNA2)
     (resi   9 and name h1'  and segi DNA1)  5.50  1.10  1.10 !  158 0v>  3.60  5.91

assi (resi   9 and name h2   and segi DNA1)
     (resi  15 and name h2   and segi DNA2)  2.97  0.39  0.59 !  130 P-l  0.54 

!#############################################################################
assi (resi  10 and name h6   and segi DNA1)
     (resi  10 and name h1'  and segi DNA1)  3.40  0.50  0.50 !  163 -^-  0.84 

assi (resi  10 and name h6   and segi DNA1)
     (resi  10 and name h3'  and segi DNA1)  3.22  0.50  0.99 !  206 -^-  0.16 

assi (resi  10 and name h4'  and segi DNA1)
     (resi  10 and name h6   and segi DNA1)  4.00  0.51  0.99 !  121 -v-  +0.5  
 
assi (resi  10 and name h2'' and segi DNA1)
     (resi  10 and name h6   and segi DNA1)  2.91  0.29  0.59 !  596 -^-  0.28  

assi (resi  10 and name h1'  and segi DNA1)
     (resi  10 and name h2'  and segi DNA1)  2.75  0.37  0.37 !  529 -^-  0.34 
assi (resi  10 and name h1'  and segi DNA1)
     (resi  10 and name h2'' and segi DNA1)  2.22  0.31  0.31 !  530 P--  0.34 

assi (resi  10 and name h1'  and segi DNA1)
     (resi  10 and name h3'  and segi DNA1)  3.64  0.36  0.36 !  290 -^>  1.87 

assi (resi  10 and name h1'  and segi DNA1)
     (resi  10 and name h4'  and segi DNA1)  2.91  0.46  0.65 !  308 -^-  0.16 

assi (resi  10 and name h3'  and segi DNA1)
     (resi  10 and name h2'  and segi DNA1)  2.42  0.32  0.32 !  670 P--  0.31 

assi (resi  10 and name h5   and segi DNA1)
     (resi  10 and name h2'' and segi DNA1)  4.62  0.59  0.99 !  509 -v-  +0.5 

assi (resi  10 and name h5   and segi DNA1)
     (resi  10 and name h1'  and segi DNA1)  5.50  0.82  0.99 !  260 -v-  0.75 

!#############################################################################
assi (resi  11 and name h6   and segi DNA1)
     (resi  10 and name h1'  and segi DNA1)  3.51  0.50  0.50 !  166 -^-  0.31 

assi (resi  11 and name h6   and segi DNA1)
     (resi  10 and name h2'  and segi DNA1)  2.83  0.34  0.50 !  474 P--  0.23 

assi (resi  11 and name h6   and segi DNA1)
     (resi  10 and name h3'  and segi DNA1)  3.94  0.65  0.99 !  215 -v-  0.97 

assi (resi  11 and name h5   and segi DNA1)
     (resi  10 and name h3'  and segi DNA1)  4.81  0.52  0.99 !  285 -v>  2.96  5.58

assi (resi  10 and name h6   and segi DNA1)
     (resi  11 and name h6   and segi DNA1)  4.39  0.53  0.53 !  362 -^>  2.43 

assi (resi  10 and name h6   and segi DNA1)
     (resi  11 and name h5   and segi DNA1)  3.30  0.53  0.53 !  180 -^-  0.74 

assi (resi  10 and name h5   and segi DNA1)
     (resi  11 and name h5   and segi DNA1)  3.45  0.54  0.54 !  256 -^-  1.56 

assi (resi  11 and name h5   and segi DNA1)
     (resi  10 and name h2'' and segi DNA1)  3.48  0.50  0.75 !  541 -^-  0.32 

!#############################################################################
assi (resi  11 and name h6   and segi DNA1)
     (resi  11 and name h1'  and segi DNA1)  3.45  0.53  0.53 !  150 -v-  0.43 

assi (resi  11 and name h6   and segi DNA1)
    ((resi  11 and name h2'  and segi DNA1)
  or (resi  11 and name h2'' and segi DNA1)) 2.44  0.43  0.43 !  150 -v-  0.43 

assi (resi  11 and name h6   and segi DNA1)
     (resi  11 and name h3'  and segi DNA1)  2.93  0.50  0.75 !  198 P--  0.27 

assi (resi  11 and name h4'  and segi DNA1)
     (resi  11 and name h6   and segi DNA1)  3.81  0.50  0.99 !  113 -^-  +0.5 

assi (resi  11 and name h1'  and segi DNA1)
    ((resi  11 and name h2'  and segi DNA1)
  or (resi  11 and name h2'' and segi DNA1)) 2.55  0.43  0.43 !  150 -v-  0.43 

assi (resi  11 and name h5   and segi DNA1)
     (resi  11 and name h3'  and segi DNA1)  4.43  0.67  0.77 !  275 -v-  1.08 

assi (resi  11 and name h1'  and segi DNA1)
     (resi  11 and name h3'  and segi DNA1)  3.82  0.58  0.58 !  267 -v-  0.87 

assi (resi  11 and name h1'  and segi DNA1)
     (resi  11 and name h4'  and segi DNA1)  2.94  0.29  0.55 !  298 P--  0.17 

assi (resi  11 and name h3'  and segi DNA1)
    ((resi  11 and name h2'  and segi DNA1)
  or (resi  11 and name h2'' and segi DNA1)) 2.83  0.43  0.43 !  150 -v-  0.43 

!#############################################################################
!#############################################################################
assi (resi  12 and name h8   and segi DNA2)
     (resi  12 and name h1'  and segi DNA2)  3.49  0.50  0.50 !  195 -^-  0.35 

assi (resi  12 and name h8   and segi DNA2)
     (resi  12 and name h2'  and segi DNA2)  2.52  0.46  0.46 !  483 -^-  0.73 

assi (resi  12 and name h8   and segi DNA2)
     (resi  12 and name h3'  and segi DNA2)  4.29  0.67  0.99 !  224 -v-  0.74 

assi (resi  12 and name h8   and segi DNA2)
     (resi  12 and name h4'  and segi DNA2)  4.84  0.73  0.99 !  343 -v-  0.67 

assi (resi  12 and name h8   and segi DNA2)
    ((resi  12 and name h5'  and segi DNA2)
  or (resi  12 and name h5'' and segi DNA2)) 4.11  0.63  0.99 !  327 -v-  0.53 

assi (resi  12 and name h3'  and segi DNA2)
     (resi  12 and name h2'  and segi DNA2)  2.39  0.32  0.32 !  665 P--  0.26 
assi (resi  12 and name h3'  and segi DNA2)
     (resi  12 and name h2'' and segi DNA2)  2.66  0.33  0.33 !  666 P--  0.36 

assi (resi  12 and name h1'  and segi DNA2)
     (resi  12 and name h3'  and segi DNA2)  3.99  0.39  0.39 !  274 -^-  0.35 

assi (resi  12 and name h1'  and segi DNA2)
     (resi  12 and name h4'  and segi DNA2)  2.97  0.29  0.59 !  314 -^-  0.35 

assi (resi  12 and name h1'  and segi DNA2)
     (resi  12 and name h2'  and segi DNA2)  2.81  0.42  0.42 !  525 -v-  0.43 

!#############################################################################

assi (resi  13 and name h8   and segi DNA2)
     (resi  12 and name h1'  and segi DNA2)  3.26  0.50  0.50 !  194 P--  0.17 

assi (resi  13 and name h8   and segi DNA2)
     (resi  12 and name h3'  and segi DNA2)  4.19  0.63  0.99 !  223 -v-  1.63 

assi (resi  13 and name h8   and segi DNA2)
     (resi  12 and name h4'  and segi DNA2)  4.69  0.63  0.99

!#############################################################################
assi (resi  13 and name h8   and segi DNA2)
     (resi  13 and name h1'  and segi DNA2)  3.32  0.50  0.50 !  162 -^-  1.24 

assi (resi  13 and name h8   and segi DNA2)
     (resi  13 and name h2'  and segi DNA2)  2.26  0.31  0.31 !  484 P--  0.54 
assi (resi  13 and name h8   and segi DNA2)
     (resi  13 and name h2'' and segi DNA2)  2.95  0.30  0.75 !  461 -^-  0.48 

assi (resi  13 and name h8   and segi DNA2)
     (resi  13 and name h3'  and segi DNA2)  3.66  0.57  0.99 !  222 -v-  0.56 

assi (resi  13 and name h8   and segi DNA2)
     (resi  13 and name h4'  and segi DNA2)  4.75  0.76  0.99 !  333 -v-  1.59 

assi (resi  13 and name h1'  and segi DNA2)
     (resi  13 and name h3'  and segi DNA2)  3.48  0.51  0.51 !  293 -v-  0.82 

assi (resi  13 and name h1'  and segi DNA2)
     (resi  13 and name h4'  and segi DNA2)  3.00  0.29  0.55 !  393 -^-  0.59

assi (resi  13 and name h3'  and segi DNA2)
     (resi  13 and name h2'' and segi DNA2)  2.63  0.33  0.43 !  673 P--  0.33 

assi (resi  13 and name h4'  and segi DNA2)
     (resi  13 and name h2'  and segi DNA2)  3.34  0.50  0.50 !  681 -v-  0.40 
assi (resi  13 and name h4'  and segi DNA2)
     (resi  13 and name h2'' and segi DNA2)  3.47  0.52  0.52 !  680 -v-  0.87 

assi (resi  13 and name h1'  and segi DNA2)
     (resi  13 and name h2'  and segi DNA2)  2.59  0.33  0.33 !  544 P--  0.25 
assi (resi  13 and name h1'  and segi DNA2)
     (resi  13 and name h2'' and segi DNA2)  2.35  0.32  0.32 !  545 P--  0.50 

!#############################################################################
assi (resi  14 and name h6   and segi DNA2)
     (resi  13 and name h8   and segi DNA2)  4.60  0.67  0.67 !  353 -^l  1.61 

assi (resi  14 and name h6   and segi DNA2)
     (resi  13 and name h1'  and segi DNA2)  3.25  0.50  0.55 !  160 -^-  0.50 

assi (resi  14 and name h6   and segi DNA2)
     (resi  13 and name h2'  and segi DNA2)  3.08  0.31  0.51 !  445 -^-  0.36 
assi (resi  14 and name h6   and segi DNA2)
     (resi  13 and name h2'' and segi DNA2)  2.67  0.43  0.50 !  444 P--  0.39 

assi (resi  14 and name h6   and segi DNA2)
     (resi  13 and name h3'  and segi DNA2)  4.06  0.59  0.99 !  204 -v-  0.99 

assi (resi  13 and name h4'  and segi DNA2)
     (resi  14 and name h6   and segi DNA2)  5.31  0.53  0.99 !  124 -^>  3.38 

assi (resi  13 and name h8   and segi DNA2)
     (resi  14 and name h5#  and segi DNA2)  3.57  0.36  0.99 !  418 -^-  0.33 

assi (resi  14 and name h5#  and segi DNA2)
     (resi  13 and name h1'  and segi DNA2)  4.46  0.67  0.99 !  611 -v-  1.13 

assi (resi  14 and name h5#  and segi DNA2)
     (resi  13 and name h2'  and segi DNA2)  3.43  0.47  0.99 !  701 P--  0.35 
assi (resi  14 and name h5#  and segi DNA2)
     (resi  13 and name h2'' and segi DNA2)  3.37  0.47  0.99 !  702 P--  0.40 

assi (resi  13 and name h3'  and segi DNA2)
     (resi  14 and name h5#  and segi DNA2)  4.13  0.41  0.99 !  646 -^-  1.22 

assi (resi  13 and name h4'  and segi DNA2)
     (resi  14 and name h5#  and segi DNA2)  5.50  0.82  0.99 !  654 -v>  2.19  5.61

!assi (resi  13 and name h1'  and segi DNA2)
!     (resi  14 and name h1'  and segi DNA2)  5.01  1.00  1.00 !  264 0v>  4.53 

!#############################################################################
assi (resi  14 and name h6   and segi DNA2)
     (resi  14 and name h2'  and segi DNA2)  2.20  0.31  0.31 !  455 P--  0.77 
assi (resi  14 and name h6   and segi DNA2)
     (resi  14 and name h2'' and segi DNA2)  2.80  0.38  0.68 !  454 -^-  0.33 

assi (resi  14 and name h1'  and segi DNA2)
     (resi  14 and name h2'  and segi DNA2)  2.74  0.37  0.37 !  521 -^-  0.35 
assi (resi  14 and name h1'  and segi DNA2)
     (resi  14 and name h2'' and segi DNA2)  2.25  0.31  0.31 !  523 P--  0.52 

assi (resi  14 and name h6   and segi DNA2)
     (resi  14 and name h1'  and segi DNA2)  3.40  0.50  0.50 !  174 -^-  0.80 

assi (resi  14 and name h1'  and segi DNA2)
     (resi  14 and name h3'  and segi DNA2)  3.43  0.33  0.33 !  277 -^-  0.20 

assi (resi  14 and name h1'  and segi DNA2)
     (resi  14 and name h4'  and segi DNA2)  2.93  0.29  0.54 !  312 P--  0.21 

assi (resi  14 and name h6   and segi DNA2)
     (resi  14 and name h3'  and segi DNA2)  3.35  0.50  0.99 !  203 -v-  0.27 

assi (resi  14 and name h6   and segi DNA2)
     (resi  14 and name h4'  and segi DNA2)  3.94  0.56  0.99 !  345 -v-  0.70 

assi (resi  14 and name h2'' and segi DNA2)
     (resi  14 and name h5#  and segi DNA2)  5.43  0.81  0.99 !  689 -v-  1.35 
assi (resi  14 and name h2'  and segi DNA2)
     (resi  14 and name h5#  and segi DNA2)  3.96  0.59  0.99 !  688 -v-  0.31 

assi (resi  14 and name h3'  and segi DNA2)
     (resi  14 and name h5#  and segi DNA2)  5.39  0.81  0.99 !  652 -v-  0.70 

assi (resi  14 and name h5#  and segi DNA2)
     (resi  14 and name h1'  and segi DNA2)  5.50  1.10  1.10 !  615 -v>  5.23  6.35

!#############################################################################
assi (resi  15 and name h8   and segi DNA2)
     (resi  14 and name h6   and segi DNA2)  4.68  0.73  0.73 !  138 -vl  3.64 

assi (resi  15 and name h8   and segi DNA2)
     (resi  14 and name h1'  and segi DNA2)  3.67  0.50  0.50 !  184 -^-  1.16 

assi (resi  15 and name h8   and segi DNA2)
     (resi  14 and name h2'' and segi DNA2)  3.01  0.60  0.41 !  421 -^-  0.89 
assi (resi  15 and name h8   and segi DNA2)
     (resi  14 and name h2'  and segi DNA2)  3.50  0.35  0.65 !  422 P--  0.43 

assi (resi  15 and name h8   and segi DNA2)
     (resi  14 and name h3'  and segi DNA2)  4.57  0.91  0.91 !  230 0^>  3.52 

assi (resi  14 and name h4'  and segi DNA2)
     (resi  15 and name h8   and segi DNA2)  4.69  0.66  1.29 !  128 -v>  3.17 

!#############################################################################
assi (resi  15 and name h8   and segi DNA2)
     (resi  15 and name h1'  and segi DNA2)  3.29  0.50  0.50 !  171 -^-  0.23 

assi (resi  15 and name h8   and segi DNA2)
     (resi  15 and name h2'' and segi DNA2)  2.86  0.50  0.60 !  435 -^-  0.35 
assi (resi  15 and name h8   and segi DNA2)
     (resi  15 and name h2'  and segi DNA2)  2.30  0.50  0.50 !  434 P--  0.57 

assi (resi  15 and name h8   and segi DNA2)
     (resi  15 and name h3'  and segi DNA2)  3.55  0.53  0.99 !  231 -v-  0.22 

assi (resi  15 and name h8   and segi DNA2)
     (resi  15 and name h4'  and segi DNA2)  4.87  0.77  0.99 !  331 -v>  3.32 

assi (resi  15 and name h4'  and segi DNA2)
     (resi  15 and name h2'  and segi DNA2)  3.38  0.51  0.51 !  682 -v-  0.29 
assi (resi  15 and name h4'  and segi DNA2)
     (resi  15 and name h2'' and segi DNA2)  3.63  0.55  0.55 !  683 -v-  0.71 

assi (resi  15 and name h1'  and segi DNA2)
     (resi  15 and name h3'  and segi DNA2)  3.62  0.57  0.57 !  294 -v-  1.82 

assi (resi  15 and name h1'  and segi DNA2)
     (resi  15 and name h4'  and segi DNA2)  3.00  0.29  0.60 !  393 -^-  0.59 

assi (resi  15 and name h1'  and segi DNA2)
     (resi  15 and name h2'  and segi DNA2)  2.59  0.35  0.35 !  544 P--  0.25
assi (resi  15 and name h1'  and segi DNA2)
     (resi  15 and name h2'' and segi DNA2)  2.35  0.35  0.35 !  545 P--  0.50

assi (resi  15 and name h2   and segi DNA2)
     (resi  15 and name h1'  and segi DNA2)  4.09  0.50  0.75 !  157 -^-  0.76 

!#############################################################################
assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h8   and segi DNA2)  4.66  0.58  0.58 !  359 -^-  0.91 

assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h1'  and segi DNA2)  3.36  0.52  0.52 !  167 -v-  0.22 

assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h2'  and segi DNA2)  3.11  0.45  0.75 !  439 P--  0.24 
assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h2'' and segi DNA2)  2.82  0.62  0.58 !  438 -^-  0.42 

assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h3'  and segi DNA2)  4.40  0.62  0.99 !  211 -v-  1.56 

assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h4'  and segi DNA2)  5.00  0.52  0.99 !

!#############################################################################
assi (resi  16 and name h8   and segi DNA2)
     (resi  16 and name h1'  and segi DNA2)  3.63  0.54  0.54 !  189 -v-  0.48 

assi (resi  16 and name h8   and segi DNA2)
    ((resi  16 and name h2'  and segi DNA2)
  or (resi  16 and name h2'' and segi DNA2)) 2.57  0.43  0.43 !  606 P--  0.37 

assi (resi  16 and name h8   and segi DNA2)
     (resi  16 and name h3'  and segi DNA2)  3.54  0.53  0.99 !  212 -v-  0.35 

assi (resi  16 and name h8   and segi DNA2)
     (resi  16 and name h4'  and segi DNA2)  4.40  0.70  0.99 !  339 -v-  0.84 

assi (resi  16 and name h1'  and segi DNA2)
    ((resi  16 and name h2'  and segi DNA2)
  or (resi  16 and name h2'' and segi DNA2)) 2.61  0.50  0.50 !  630 P--  0.39 

assi (resi  16 and name h1'  and segi DNA2)
     (resi  16 and name h3'  and segi DNA2)  3.49  0.35  0.35 !  326 -^-  0.64 

assi (resi  16 and name h1'  and segi DNA2)
     (resi  16 and name h4'  and segi DNA2)  2.97  0.29  0.55 !  280 P--  0.25 

!#############################################################################
assi (resi  17 and name h6   and segi DNA2)
     (resi  16 and name h8   and segi DNA2)  4.75  0.65  0.65 !  350 -v-  1.05 

assi (resi  16 and name h8   and segi DNA2)
     (resi  17 and name h5   and segi DNA2)  3.77  0.50  0.58 !  188 -^-  0.29 

assi (resi  17 and name h6   and segi DNA2)
     (resi  16 and name h1'  and segi DNA2)  3.57  0.50  0.50 !  173 -^-  0.29 

assi (resi  17 and name h6   and segi DNA2)
     (resi  16 and name h3'  and segi DNA2)  4.46  0.41  0.99 !  201 -^-  0.95 

assi((resi  16 and name h2'  and segi DNA2)
  or (resi  16 and name h2'' and segi DNA2))
     (resi  17 and name h6   and segi DNA2)  3.10  0.50  0.65 !  546 P--  0.30 

assi (resi  17 and name h5   and segi DNA2)
     (resi  16 and name h1'  and segi DNA2)  4.41  0.50  0.75 !  255 -^l  1.46 

assi (resi  17 and name h5   and segi DNA2)
     (resi  16 and name h3'  and segi DNA2)  5.11  1.02  1.02 !  266 -v-  3.84 

assi((resi  16 and name h2'  and segi DNA2)
  or (resi  16 and name h2'' and segi DNA2))
     (resi  17 and name h5   and segi DNA2)  3.54  0.50  0.99 !  621 -^-  0.26 

!#############################################################################
assi (resi  17 and name h6   and segi DNA2)
     (resi  17 and name h1'  and segi DNA2)  3.69  0.55  0.55 !  202 -v-  1.08 

assi (resi  17 and name h6   and segi DNA2)
     (resi  17 and name h3'  and segi DNA2)  3.39  0.56  0.75 !  200 -v-  0.63 

assi (resi  17 and name h4'  and segi DNA2)
     (resi  17 and name h6   and segi DNA2)  4.00  0.56  0.99 !  115 -v-  0.49 

assi (resi  17 and name h6   and segi DNA2)
     (resi  17 and name h2'  and segi DNA2)  2.26  0.33  0.33 !  462 P-l  0.71 
assi (resi  17 and name h6   and segi DNA2)
     (resi  17 and name h2'' and segi DNA2)  2.88  0.39  0.69 !  452 -^-  0.48 

assi (resi  17 and name h5   and segi DNA2)
     (resi  17 and name h2'  and segi DNA2)  3.81  0.56  0.75 !  503 -v-  0.42 
assi (resi  17 and name h5   and segi DNA2)
     (resi  17 and name h2'' and segi DNA2)  5.24  0.72  0.72 !  504 -v-  1.34 

assi (resi  17 and name h1'  and segi DNA2)
     (resi  17 and name h2'  and segi DNA2)  2.96  0.40  0.50 !  648 -^-  0.78 

assi (resi  17 and name h1'  and segi DNA2)
     (resi  17 and name h4'  and segi DNA2)  3.20  0.29  0.64 

assi (resi  17 and name h3'  and segi DNA2)
     (resi  17 and name h2'  and segi DNA2)  2.47  0.33  0.43 !  651 P--  0.50 

!#############################################################################
assi (resi  17 and name h6   and segi DNA2)
     (resi  18 and name h8   and segi DNA2)  5.44  0.54  1.99 !  351 -^-  0.92 

assi (resi  18 and name h8   and segi DNA2)
     (resi  17 and name h2'' and segi DNA2)  3.86  0.65  0.95 !  469 -^-  +0.5

!#############################################################################

assi (resi  17 and name h5   and segi DNA2)
     (resi   1 and name h8   and segi DRG1)  4.30  0.65  0.65 !   42 -^>  1.48 

assi((resi   1 and name h5   and segi DRG1)
  or (resi   1 and name h6   and segi DRG1))
     (resi  17 and name h1'  and segi DNA2)  3.68  0.65  0.65 !  214 -^-  0.58 
assi (resi   1 and name h7   and segi DRG1)
     (resi  17 and name h1'  and segi DNA2)  3.91  0.60  0.75 !  709 -v-  0.71 
assi (resi   1 and name h8   and segi DRG1)
     (resi  17 and name h1'  and segi DNA2)  5.02  0.75  0.99 !  710 -^>  6.51 

assi((resi   1 and name h5   and segi DRG1)
  or (resi   1 and name h6   and segi DRG1))
     (resi  17 and name h2'  and segi DNA2)  4.35  0.75  0.75 !  467 -v-  0.96 
assi((resi   1 and name h5   and segi DRG1)
  or (resi   1 and name h6   and segi DRG1))
     (resi  17 and name h2'' and segi DNA2)  3.14  0.75  0.75 !  468 P--  0.31 

!!!Not to G18 H3' revealed by new NOESY at 23C @Unity6
assi (resi  17 and name h3'  and segi DNA2)
    ((resi   1 and name h6   and segi DRG1)
  or (resi   1 and name h5   and segi DRG1)) 4.33  0.65  0.65 !   99 -^-  1.15 

assi (resi   1 and name h7   and segi DRG1)
     (resi  17 and name h2'' and segi DNA2)  3.12  0.50  0.75 !  463 -^-  0.95 

assi (resi  17 and name h3'  and segi DNA2)
     (resi   1 and name h7   and segi DRG1)  4.75  0.50  0.75 !  723 -v-  1.36 

assi (resi   1 and name h8   and segi DRG1)
     (resi  17 and name h2'' and segi DNA2)  3.51  0.50  0.99 !  464 -^-  0.75 

!############## Added 4/27/00 NOE are there ##################################
assi (resi   1 and name h7   and segi DRG1)
     (resi  17 and name h6   and segi DNA2)  4.50  0.75  0.99 !
assi (resi   1 and name h8   and segi DRG1)
     (resi  17 and name h6   and segi DNA2)  4.50  0.75  0.99 !

!#############################################################################
assi (resi  18 and name h8   and segi DNA2)
     (resi  18 and name h1'  and segi DNA2)  3.95  0.63  0.63 !  220 -v-  1.34 

assi (resi  18 and name h8   and segi DNA2)
     (resi  18 and name h3'  and segi DNA2)  3.97  0.62  0.99 !  219 -v-  0.24 

assi (resi  18 and name h8   and segi DNA2)
     (resi  18 and name h4'  and segi DNA2)  4.50  0.62  0.62 

assi (resi  18 and name h8   and segi DNA2)
    ((resi  18 and name h2'  and segi DNA2)
  or (resi  18 and name h2'' and segi DNA2)) 2.65  0.62  0.62 ! 

assi (resi  18 and name h1'  and segi DNA2)
     (resi  18 and name h4'  and segi DNA2)  3.20  0.29  0.52 

!#############################################################################
assi (resi  19 and name h8   and segi DNA2)
     (resi  18 and name h8   and segi DNA2)  5.00  0.75  0.75 !  136 0v>  5.60 

assi (resi  19 and name h8   and segi DNA2)
     (resi  18 and name h1'  and segi DNA2)  3.44  0.50  0.66 !  227 -^-  0.28 

assi((resi  18 and name h2'  and segi DNA2)
  or (resi  18 and name h2'' and segi DNA2))
     (resi  19 and name h8   and segi DNA2)  3.09  0.50  0.55 !  577 P--  0.45 

assi (resi  19 and name h8   and segi DNA2)
     (resi  18 and name h3'  and segi DNA2)  4.50  0.75  0.99 !  225 -v-  1.34 

!#############################################################################

assi((resi   1 and name h5   and segi DRG1)
  or (resi   1 and name h6   and segi DRG1))
     (resi  18 and name h1'  and segi DNA2)  4.50  0.99  0.99  !  NOE is there

!#############################################################################
assi (resi  19 and name h8   and segi DNA2)
     (resi  19 and name h1'  and segi DNA2)  3.77  0.58  0.58 !  191 -v-  0.34 

assi (resi  19 and name h8   and segi DNA2)
     (resi  19 and name h2'  and segi DNA2)  2.46  0.33  0.33 !  459 P--  0.66 
assi (resi  19 and name h8   and segi DNA2)
     (resi  19 and name h2'' and segi DNA2)  2.96  0.30  0.75 !  458 -^-  0.31 

assi (resi  19 and name h8   and segi DNA2)
     (resi  19 and name h3'  and segi DNA2)  3.45  0.34  0.99 !  226 -^-  0.77 

assi (resi  19 and name h8   and segi DNA2)
     (resi  19 and name h4'  and segi DNA2)  4.11  0.65  0.99 !  334 -v-  1.01 

assi (resi  19 and name h1'  and segi DNA2)
     (resi  19 and name h2'  and segi DNA2)  2.82  0.38  0.48 !  527 -^-  0.33 
assi (resi  19 and name h1'  and segi DNA2)
     (resi  19 and name h2'' and segi DNA2)  2.48  0.32  0.42 !  528 P--  0.48 

assi (resi  19 and name h1'  and segi DNA2)
     (resi  19 and name h3'  and segi DNA2)  3.72  0.54  0.54 !  287 -v-  1.07 

assi (resi  19 and name h1'  and segi DNA2)
     (resi  19 and name h4'  and segi DNA2)  3.12  0.29  0.56 !  288 P--  0.29 

assi (resi  19 and name h2   and segi DNA2)
     (resi  19 and name h1'  and segi DNA2)  4.27  0.50  0.53 !  193 -^>  2.07 

!#############################################################################
assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h8   and segi DNA2)  4.76  0.67  0.67 !  354 -^>  2.12 

assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h1'  and segi DNA2)  3.57  0.50  0.65 !  178 -^-  0.96 

assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h2'  and segi DNA2)  3.07  0.30  0.60 !  448 P--  0.31 
assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h2'' and segi DNA2)  2.76  0.45  0.50 !  447 P--  0.34 

assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h3'  and segi DNA2)  4.00  0.65  0.99 ! 

assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h4'  and segi DNA2)  4.77  0.43  0.99 !  344 -^-  +0.5 

assi (resi  19 and name h8   and segi DNA2)
     (resi  20 and name h5#  and segi DNA2)  3.81  0.57  0.75 !  416 -^-  0.49 

assi (resi  20 and name h5#  and segi DNA2)
     (resi  19 and name h1'  and segi DNA2)  5.02  0.51  0.99 !  610 -^-  0.93 

assi (resi  20 and name h5#  and segi DNA2)
     (resi  19 and name h2'  and segi DNA2)  3.85  0.58  0.99 !  699 -^-  0.34 
assi (resi  20 and name h5#  and segi DNA2)
     (resi  19 and name h2'' and segi DNA2)  4.06  0.61  0.99 !  700 -v-  0.97 

assi (resi  19 and name h3'  and segi DNA2)
     (resi  20 and name h5#  and segi DNA2)  4.18  0.52  0.99 !  645 -^-  0.73 

!#############################################################################
assi (resi  20 and name h6   and segi DNA2)
     (resi  20 and name h1'  and segi DNA2)  3.57  0.55  0.65 !  176 -^-  0.54 

assi (resi  20 and name h6   and segi DNA2)
     (resi  20 and name h2'  and segi DNA2)  2.27  0.38  0.38 !  465 P--  0.53 
assi (resi  20 and name h6   and segi DNA2)
     (resi  20 and name h2'' and segi DNA2)  3.01  0.30  0.50 !  450 -^-  0.57 

assi (resi  20 and name h6   and segi DNA2)
     (resi  20 and name h3'  and segi DNA2)  3.54  0.58  0.99 !  238 -v>  2.59 

assi (resi  20 and name h3'  and segi DNA2)
     (resi  20 and name h2'  and segi DNA2)  2.42  0.32  0.32 !  650 P--  0.51 

assi (resi  20 and name h4'  and segi DNA2)
     (resi  20 and name h6   and segi DNA2)  3.71  0.56  0.99 !  116 -v-  0.51 

assi (resi  20 and name h1'  and segi DNA2)
     (resi  20 and name h5#  and segi DNA2)  5.50  1.10  1.10 !  500 -v-  3.97  6.86

assi (resi  20 and name h2'  and segi DNA2)
     (resi  20 and name h5#  and segi DNA2)  4.52  0.68  0.99 !  687 -v-  0.98 
assi (resi  20 and name h2'' and segi DNA2)
     (resi  20 and name h5#  and segi DNA2)  5.50  0.82  0.99 !  686 -v-  1.99  6.19

assi (resi  20 and name h3'  and segi DNA2)
     (resi  20 and name h5#  and segi DNA2)  5.50  0.55  0.99 !  657 -^-  1.70  5.62

assi (resi  20 and name h1'  and segi DNA2)
     (resi  20 and name h2'  and segi DNA2)  3.04  0.45  0.55 !  519 -v-  0.27 
assi (resi  20 and name h1'  and segi DNA2)
     (resi  20 and name h2'' and segi DNA2)  2.42  0.32  0.32 !  520 P--  0.37 

assi (resi  20 and name h1'  and segi DNA2)
     (resi  20 and name h3'  and segi DNA2)  3.99  0.50  0.50 !  274 -^-  0.35

assi (resi  20 and name h1'  and segi DNA2)
     (resi  20 and name h4'  and segi DNA2)  2.98  0.29  0.58 !  316 P--  0.43 

!#############################################################################
assi (resi  20 and name h6   and segi DNA2)
     (resi  21 and name h8   and segi DNA2)  4.60  0.60  0.67 !  352 -^-  1.62 

assi (resi  20 and name h1'  and segi DNA2)
     (resi  21 and name h8   and segi DNA2)  3.50  0.58  0.75 !   54 -^-  0.43 

assi (resi  21 and name h8   and segi DNA2)
     (resi  20 and name h2'  and segi DNA2)  3.11  0.32  0.52 !  429 -^-  0.63 
assi (resi  21 and name h8   and segi DNA2)
     (resi  20 and name h2'' and segi DNA2)  3.04  0.65  0.55 !  470 P--  0.20 

assi (resi  21 and name h8   and segi DNA2)
     (resi  20 and name h3'  and segi DNA2)  4.12  0.76  0.99 !  243 -v-  0.77 

!#############################################################################
assi (resi  21 and name h1'  and segi DNA2)
     (resi  21 and name h8   and segi DNA2)  3.16  0.50  0.99 !   53 -^-  0.43 

assi (resi  21 and name h8   and segi DNA2)
     (resi  21 and name h2'  and segi DNA2)  2.30  0.32  0.42 !  481 P--  0.61 
assi (resi  21 and name h8   and segi DNA2)
     (resi  21 and name h2'' and segi DNA2)  2.64  0.43  0.65 !  482 P--  0.26 

assi (resi  21 and name h8   and segi DNA2)
     (resi  21 and name h3'  and segi DNA2)  3.41  0.53  0.99 !  221 -v-  0.31 

assi (resi  21 and name h8   and segi DNA2)
     (resi  21 and name h4'  and segi DNA2)  4.47  0.68  0.99 !  336 -v-  0.57 

assi (resi  21 and name h1'  and segi DNA2)
     (resi  21 and name h2'  and segi DNA2)  2.66  0.37  0.47 !  526 -^-  0.20 

assi (resi  21 and name h1'  and segi DNA2)
     (resi  21 and name h3'  and segi DNA2)  3.50  0.51  0.51 !  273 -v-  0.21 

assi (resi  21 and name h1'  and segi DNA2)
     (resi  21 and name h4'  and segi DNA2)  3.10  0.29  0.61 !  272 -^-  0.15 

assi (resi  21 and name h4'  and segi DNA2)
     (resi  21 and name h2'  and segi DNA2)  3.40  0.51  0.51 !  674 -v-  0.65 
assi (resi  21 and name h4'  and segi DNA2)
     (resi  21 and name h2'' and segi DNA2)  3.62  0.54  0.54 !  675 -v-  0.61 

!#############################################################################

assi (resi  21 and name h1'  and segi DNA2)
     (resi  22 and name h8   and segi DNA2)  3.50  0.75  0.95 !   55 -^-  0.43 

!#############################################################################
assi (resi  22 and name h8   and segi DNA2)
     (resi  22 and name h1'  and segi DNA2)  3.59  0.55  0.55 !  149 -v-  1.09 

assi (resi  22 and name h8   and segi DNA2)
     (resi  22 and name h2'  and segi DNA2)  2.39  0.32  0.32 !  480 P--  0.39 

assi (resi  22 and name h8   and segi DNA2)
     (resi  22 and name h3'  and segi DNA2)  3.45  0.53  0.99 !  218 -v-  0.56 

assi (resi  22 and name h8   and segi DNA2)
     (resi  22 and name h4'  and segi DNA2)  4.02  0.60  0.99 !  337 -v-  0.99 

assi (resi  22 and name h1'  and segi DNA2)
     (resi  22 and name h2'  and segi DNA2)  2.81  0.38  0.35 !  492 -^-  0.34 
assi (resi  22 and name h1'  and segi DNA2)
     (resi  22 and name h2'' and segi DNA2)  2.35  0.32  0.32 !  491 P--  0.24 

assi (resi  22 and name h1'  and segi DNA2)
     (resi  22 and name h3'  and segi DNA2)  3.88  0.58  0.58 !  268 -v-  0.85 

assi (resi  22 and name h1'  and segi DNA2)
     (resi  22 and name h4'  and segi DNA2)  3.08  0.29  0.55 !  297 P--  0.47 

assi (resi  22 and name h3'  and segi DNA2)
     (resi  22 and name h2'  and segi DNA2)  2.49  0.50  0.50 !  662 -^-  0.19 
assi (resi  22 and name h3'  and segi DNA2)
     (resi  22 and name h2'' and segi DNA2)  2.84  0.50  0.50 !  663 P--  0.42 

!#############################################################################
assi (resi   1 and name h1   and segi DRG1)
     (resi   1 and name h2   and segi DRG1)  2.41  0.65  0.65 !  310 P--  0.50 

assi (resi   1 and name h1   and segi DRG1)
     (resi   1 and name h11  and segi DRG1)  3.33  0.50  0.50 !  261 -v-  0.21 

assi (resi   1 and name h1   and segi DRG1)
     (resi   1 and name h12  and segi DRG1)  2.01  0.30  0.40 !    3 P-l  1.04 

assi (resi   1 and name h2   and segi DRG1)
     (resi   1 and name h5   and segi DRG1)  4.49  0.52  0.99 !  108 -v-  0.62 

assi (resi   1 and name h4   and segi DRG1)
     (resi   1 and name h5   and segi DRG1)  2.84  0.38  0.38 !  199 -^-  0.49 

assi (resi   1 and name h6   and segi DRG1)
     (resi   1 and name h7   and segi DRG1)  2.50  0.35  0.35 !  717 -^-  0.27 

assi (resi   1 and name h8   and segi DRG1)
     (resi   1 and name h9   and segi DRG1)  2.42  0.31  0.31 !  719 P-l  0.82 

assi (resi   1 and name h9   and segi DRG1)
     (resi   1 and name h10  and segi DRG1)  2.71  0.43  0.43 !  716 -v-  1.43 

assi (resi   1 and name h9   and segi DRG1)
     (resi   1 and name h11  and segi DRG1)  4.82  0.75  0.75 !  154 -v-  0.94 

assi (resi   1 and name h10  and segi DRG1)
     (resi   1 and name h11  and segi DRG1)  2.70  0.33  0.33 !  714 P--  0.49 

assi (resi   1 and name h10  and segi DRG1)
     (resi   1 and name h12  and segi DRG1)  4.78  0.41  0.41 !  349 -^-  1.34 

assi (resi   1 and name h11  and segi DRG1)
     (resi   1 and name h12  and segi DRG1)  2.61  0.36  0.36 !    2 -^-  0.73 


!##############################################################################
!#####################################################################
!##############      HYDROGEN BOND CONSTRAINTS   #####################
!#####################################################################

!C1-G22 base pair
assign     (resid 1  and name H41   and segid DNA1)
           (resid 22 and name O6    and segid DNA2)  1.9   0.10  0.10
assign     (resid 1  and name N3    and segid DNA1)
           (resid 22 and name H1    and segid DNA2)  2.0   0.10  0.10
assign     (resid 1  and name O2    and segid DNA1)
           (resid 22 and name H21   and segid DNA2)  2.0   0.10  0.10

!C2-G21 base pair
assign     (resid 2  and name H41   and segid DNA1)
           (resid 21 and name O6    and segid DNA2)  1.9   0.10  0.10
assign     (resid 2  and name N3    and segid DNA1)
           (resid 21 and name H1    and segid DNA2)  2.0   0.10  0.10
assign     (resid 2  and name O2    and segid DNA1)
           (resid 21 and name H21   and segid DNA2)  2.0   0.10  0.10

!C5-G18 base pair
assign     (resid 5  and name H41   and segid DNA1)
           (resid 18 and name O6    and segid DNA2)  1.9   0.10  0.10
assign     (resid 5  and name N3    and segid DNA1)
           (resid 18 and name H1    and segid DNA2)  2.0   0.10  0.10
assign     (resid 5  and name O2    and segid DNA1)
           (resid 18 and name H21   and segid DNA2)  2.0   0.10  0.10

!C7-G16 base pair
assign     (resid 7  and name H41   and segid DNA1)
           (resid 16 and name O6    and segid DNA2)  1.9   0.10  0.10
assign     (resid 7  and name N3    and segid DNA1)
           (resid 16 and name H1    and segid DNA2)  2.0   0.10  0.10
assign     (resid 7  and name O2    and segid DNA1)
           (resid 16 and name H21   and segid DNA2)  2.0   0.10  0.10

!C10-G13 base pair
assign     (resid 10 and name H41   and segid DNA1)
           (resid 13 and name O6    and segid DNA2)  1.9   0.10  0.10
assign     (resid 10 and name N3    and segid DNA1)
           (resid 13 and name H1    and segid DNA2)  2.0   0.10  0.10
assign     (resid 10 and name O2    and segid DNA1)
           (resid 13 and name H21   and segid DNA2)  2.0   0.10  0.10

!C11-G12 base pair
assign     (resid 11 and name H41   and segid DNA1)
           (resid 12 and name O6    and segid DNA2)  1.9   0.10  0.10
assign     (resid 11 and name N3    and segid DNA1)
           (resid 12 and name H1    and segid DNA2)  2.0   0.10  0.10
assign     (resid 11 and name O2    and segid DNA1)
           (resid 12 and name H21   and segid DNA2)  2.0   0.10  0.10

!###################################################################
!*G6-C17 base pair
assign     (resid 17 and name H41   and segid DNA2)
           (resid 6  and name O6    and segid DNA1)  1.9   0.10  0.10
assign     (resid 17 and name N3    and segid DNA2)
           (resid 6  and name H1    and segid DNA1)  2.0   0.10  0.10
assign     (resid 17 and name O2    and segid DNA2)
           (resid 6  and name H21   and segid DNA1)  2.0   0.10  0.20
!###################################################################

!A3-T20 base pair
assign     (resid 20 and name H3    and segid DNA2)
           (resid 3  and name N1    and segid DNA1)  2.1   0.10  0.20
assign     (resid 20 and name O4    and segid DNA2)
           (resid 3  and name H61   and segid DNA1)  2.0   0.10  0.20

!A9-T14 base pair
assign     (resid 14 and name H3    and segid DNA2)
           (resid 9  and name N1    and segid DNA1)  2.1   0.10  0.20
assign     (resid 14 and name O4    and segid DNA2)
           (resid 9  and name H61   and segid DNA1)  2.0   0.10  0.20

!A19-T4 base pair
assign     (resid 4  and name H3    and segid DNA1)
           (resid 19 and name N1    and segid DNA2)  2.1   0.10  0.20
assign     (resid 4  and name O4    and segid DNA1)
           (resid 19 and name H61   and segid DNA2)  2.0   0.10  0.20

!A15-T8 base pair
assign     (resid 8  and name H3    and segid DNA1)
           (resid 15 and name N1    and segid DNA2)  2.1   0.10  0.20
assign     (resid 8  and name O4    and segid DNA1)
           (resid 15 and name H61   and segid DNA2)  2.0   0.10  0.20


!#############################################################################
!######### NOE BUILD UP IN H2O AT 100ms AND 150MS 4DEGREE ####################
!#############################################################################

assi (resi  20 and name h3   and segi DNA2)
     (resi   2 and name h41  and segi DNA1)  5.25  0.79  0.99 !   54 -v-  5.73 
assi (resi  20 and name h3   and segi DNA2)
     (resi   2 and name h42  and segi DNA1)  4.99  0.75  0.99 !   56 -v-  5.18 

!#############################################################################
assi (resi  21 and name h1   and segi DNA2)
     (resi   2 and name h41  and segi DNA1)  3.17  0.58  0.48 !   69 P--  3.50 
assi (resi  21 and name h1   and segi DNA2)
     (resi   2 and name h42  and segi DNA1)  3.65  0.54  0.85 !   85 -v-  5.02 

assi (resi  21 and name h1   and segi DNA2)
     (resi   2 and name h5   and segi DNA1)  4.55  0.68  0.98 !   87 P--  +0.5 

!#############################################################################
assi (resi  20 and name h3   and segi DNA2)
     (resi   3 and name h61  and segi DNA1)  2.68  0.48  0.48 
assi (resi  20 and name h3   and segi DNA2)
     (resi   3 and name h62  and segi DNA1)  3.88  0.48  0.75 !   50 P--  4.35 

assi (resi  20 and name h3   and segi DNA2)
     (resi   3 and name h2   and segi DNA1)  2.74  0.31  0.41 !   44 P--  4.20 

assi (resi  21 and name h1   and segi DNA2)
     (resi   3 and name h2   and segi DNA1)  3.95  0.45  0.55 !   71 P--  4.92 

assi (resi  21 and name h1   and segi DNA2)
     (resi   3 and name h62  and segi DNA1)  4.79  0.72  0.85 !   88 -v-  5.26 

!#############################################################################
assi (resi   4 and name h5#  and segi DNA1)
     (resi   5 and name h41  and segi DNA1)  4.29  0.64  0.75 !  113 P--  4.62 
assi (resi   4 and name h5#  and segi DNA1)
     (resi   5 and name h42  and segi DNA1)  4.00  0.59  0.75 !  110 P--  4.03 

assi (resi   4 and name h3   and segi DNA1)
     (resi   5 and name h41  and segi DNA1)  4.82  0.99  0.99 !   58 -v-  5.05 
assi (resi   4 and name h3   and segi DNA1)
     (resi   5 and name h42  and segi DNA1)  4.84  0.99  0.99 !   57 -v-  5.61 

assi (resi   4 and name h3   and segi DNA1)
     (resi  18 and name h1   and segi DNA2)  4.57  0.85  0.75 !    1 -v-  5.11 

assi (resi   4 and name h3   and segi DNA1)
     (resi  19 and name h2   and segi DNA2)  2.92  0.34  0.44 !   45 P--  4.17 

assi (resi   4 and name h3   and segi DNA1)
     (resi  19 and name h62  and segi DNA2)  3.52  0.53  0.53 !   48 P--  4.65 
!#############################################################################

assi (resi  18 and name h1   and segi DNA2)
     (resi   5 and name h5   and segi DNA1)  4.83  0.72  0.99 !   72 -v-  5.29 

assi (resi  18 and name h1   and segi DNA2)
     (resi   5 and name h41  and segi DNA1)  3.25  0.49  0.49 !   62 P--  3.36 
assi (resi  18 and name h1   and segi DNA2)
     (resi   5 and name h42  and segi DNA1)  3.96  0.54  0.95 !   74 P--  4.86 

!#############################################################################
assi (resi   6 and name h1   and segi DNA1)
     (resi   6 and name h21  and segi DNA1)  3.00  0.60  0.60 !   63 P-l  2.85 

assi (resi  16 and name h1   and segi DNA2)
     (resi   6 and name h1   and segi DNA1)  4.21  0.85  0.75 !    2 P--  4.26 

assi (resi  16 and name h1   and segi DNA2)
     (resi   6 and name h21  and segi DNA1)  4.17  0.62  0.85 !   70 P--  4.49 

assi (resi   6 and name h1   and segi DNA1)
     (resi  17 and name h41  and segi DNA2)  3.25  0.75  0.50 !   64 P--  3.64 
assi (resi   6 and name h1   and segi DNA1)
     (resi  17 and name h42  and segi DNA2)  3.81  0.56  0.56 !   73 P--  4.05 

assi (resi   6 and name h1   and segi DNA1)
     (resi  17 and name h5   and segi DNA2)  5.50  0.82  0.82 !  114 P--  5.00 23.66

!#############################################################################
assi (resi   8 and name h3   and segi DNA1)
     (resi   7 and name h41  and segi DNA1)  4.80  0.75  0.99 !   53 -v-  5.61 
assi (resi   8 and name h3   and segi DNA1)
     (resi   7 and name h42  and segi DNA1)  5.23  0.70  0.99 !   52 P--  4.65 

assi (resi  16 and name h1   and segi DNA2)
     (resi   7 and name h41  and segi DNA1)  3.12  0.50  0.50 !   66 P--  3.39 
assi (resi  16 and name h1   and segi DNA2)
     (resi   7 and name h42  and segi DNA1)  3.60  0.52  0.95 !   76 P--  4.44 

assi (resi  16 and name h1   and segi DNA2)
     (resi   7 and name h5   and segi DNA1)  4.69  0.66  0.99 !   79 -v-  5.01 

!#############################################################################
assi (resi   8 and name h3   and segi DNA1)
     (resi   9 and name h2   and segi DNA1)  4.32  0.50  0.60 !   42 -v-  6.20 

assi (resi   8 and name h3   and segi DNA1)
     (resi  14 and name h3   and segi DNA2)  4.12  0.55  0.65 !    6 P-l  3.03 

assi (resi   8 and name h3   and segi DNA1)
     (resi  15 and name h61  and segi DNA2)  3.10  0.59  0.49 !   43 P--  4.48 
assi (resi   8 and name h3   and segi DNA1)
     (resi  15 and name h62  and segi DNA2)  3.65  0.50  0.60 !   49 P--  3.88 

assi (resi   8 and name h3   and segi DNA1)
     (resi  15 and name h2   and segi DNA2)  3.08  0.45  0.55 !   41 P--  4.37 

assi (resi  16 and name h1   and segi DNA2)
     (resi   8 and name h3   and segi DNA1)  4.10  0.65  0.75 !   10 P--  3.86 

!#############################################################################
assi (resi   9 and name h2   and segi DNA1)
     (resi  13 and name h1   and segi DNA2)  4.00  0.64  0.74 !   24 P--  4.76 

assi (resi   9 and name h2   and segi DNA1)
     (resi  14 and name h3   and segi DNA2)  2.96  0.34  0.44 !   28 P--  4.09 

!#############################################################################
assi (resi  13 and name h1   and segi DNA2)
     (resi  10 and name h1'  and segi DNA1)  4.76  0.71  0.71 !   82 -v-  5.64 

assi (resi  13 and name h1   and segi DNA2)
     (resi  10 and name h5   and segi DNA1)  4.59  0.66  0.99 !   81 P--  4.99 

assi (resi  13 and name h1   and segi DNA2)
     (resi  10 and name h41  and segi DNA1)  2.86  0.50  0.65 !   68 P--  3.53 
assi (resi  10 and name h42  and segi DNA1)
     (resi  13 and name h1   and segi DNA2)  3.59  0.54  0.75 !   25 P--  4.36 

assi (resi  14 and name h3   and segi DNA2)
     (resi  10 and name h41  and segi DNA1)  4.68  0.70  0.75 !   59 P--  4.12 

!#############################################################################

assi (resi  13 and name h1   and segi DNA2)
     (resi  14 and name h3   and segi DNA2)  4.02  0.65  0.65 !    9 P--  3.88 

!#############################################################################
assi (resi  15 and name h2   and segi DNA2)
     (resi  14 and name h3   and segi DNA2)  3.78  0.57  0.75 !   31 P--  4.37 

assi (resi  15 and name h2   and segi DNA2)
     (resi  16 and name h1   and segi DNA2)  4.38  0.66  0.86 !   19 P--  4.13 

assi (resi  16 and name h1   and segi DNA2)
     (resi  15 and name h62  and segi DNA2)  4.21  0.63  0.93 !   77 P--  4.81 

assi (resi  16 and name h1   and segi DNA2)
     (resi  17 and name h42  and segi DNA2)  4.99  0.70  1.29 !   78 P--  4.20 

!#############################################################################

assi (resi  20 and name h3   and segi DNA2)
     (resi  21 and name h1   and segi DNA2)  4.47  0.75  0.65 !    5 P--  3.72 


!####################### IN H2O   ############################################
!##########  INTERMOLECULAR NOE BETWEEN (-)TRANS-BPH AND DNA 11MER  ##########
!#############################################################################

assi (resi   6 and name h1   and segi DNA1)
     (resi   1 and name h1   and segi DRG1)  4.61  0.89  0.75 !   39 -v-  5.34

assi (resi   6 and name h1   and segi DNA1)
     (resi   1 and name h2   and segi DRG1)  5.50  0.82  0.99 !  101 P--  4.34  5.70

assi (resi   6 and name h21  and segi DNA1)
     (resi   1 and name h12  and segi DRG1)  3.17  0.58  0.65 !  108 P--  3.45

assi (resi  16 and name h1   and segi DNA2)
     (resi   1 and name h1   and segi DRG1)  5.00  0.50  0.75 !   NOE is there
assi (resi  16 and name h1   and segi DNA2)
     (resi   1 and name h2   and segi DRG1)  4.76  0.71  0.75 !   97 P--  4.94

assi (resi  18 and name h1   and segi DNA2)
     (resi   1 and name h1   and segi DRG1)  4.75  0.75  0.75 !  noe is there 
assi (resi  18 and name h1   and segi DNA2)
     (resi   1 and name h9   and segi DRG1)  4.66  0.75  0.75 !   75 P--  4.42
assi (resi  18 and name h1   and segi DNA2)
     (resi   1 and name h10  and segi DRG1)  5.50  0.99  0.75 
assi (resi  18 and name h1   and segi DNA2)
     (resi   1 and name h12  and segi DRG1)  4.28  0.75  0.75 !   65 P--  3.81

!#############################################################################


!############ residue ONE ############################################
assi (resi   1 and name h1'  and segi DNA1)
     (resi   1 and name h6   and segi DNA1) !    18
26.40 0.15 0.15 49.60 0.15 0.15 55.00 0.15 0.15 58.70 0.15 0.15 

assi (resi   1 and name h6   and segi DNA1)
     (resi   1 and name h2'  and segi DNA1) !   453
152.00 0.20 0.20 262.00 0.20 0.20 318.00 0.20 0.20 360.00 0.20 0.15 

assi (resi   1 and name h6   and segi DNA1)
     (resi   1 and name h3'  and segi DNA1) !   217
24.70 0.25 0.20 48.70 0.25 0.20 76.60 0.25 0.20 101.00 0.25 0.20 

assi (resi   1 and name h4'  and segi DNA1)
     (resi   1 and name h6   and segi DNA1) !   112
19.00 0.25 0.20 31.30 0.25 0.20 41.40 0.25 0.20 58.10 0.25 0.20 

assi((resi   1 and name h5'  and segi DNA1)
  or (resi   1 and name h5'' and segi DNA1))
     (resi   1 and name h6   and segi DNA1) !   110
12.80 0.25 0.20 27.20 0.25 0.20 33.30 0.25 0.20 42.10 0.25 0.20 

assi (resi   1 and name h5   and segi DNA1)
     (resi   1 and name h3'  and segi DNA1) !   296
 7.88 0.50 0.20 12.60 0.25 0.20 13.10 0.25 0.20 24.10 0.25 0.20 

assi (resi   1 and name h1'  and segi DNA1)
     (resi   1 and name h4'  and segi DNA1) 
67.40 0.20 0.20 120.00 0.20 0.20 156.00 0.20 0.20 201.00 0.20 0.20

assi (resi   1 and name h1'  and segi DNA1)
     (resi   1 and name h2'' and segi DNA1) !   531
219.00 0.20 0.20 362.00 0.20 0.20 455.00 0.20 0.20 518.00 0.20 0.15 

assi (resi   1 and name h3'  and segi DNA1)
     (resi   1 and name h1'  and segi DNA1) !   379
 7.46 0.20 0.20 25.90 0.20 0.20 36.50 0.20 0.20 46.10 0.20 0.20 

assi (resi   1 and name h3'  and segi DNA1)
     (resi   1 and name h2'  and segi DNA1) !   661
152.00 0.20 0.20 262.00 0.20 0.20 339.00 0.20 0.20 378.00 0.20 0.20 

!#####################################################################
assi (resi   2 and name h5   and segi DNA1)
     (resi   1 and name h6   and segi DNA1) !    21
19.90 0.20 0.20 33.70 0.20 0.20 42.20 0.20 0.20 53.80 0.20 0.15 

assi (resi   2 and name h6   and segi DNA1)
     (resi   1 and name h1'  and segi DNA1) !   168
13.50 0.15 0.15 32.00 0.15 0.15 43.10 0.15 0.15 54.60 0.15 0.15 

assi (resi   2 and name h6   and segi DNA1)
     (resi   1 and name h2'  and segi DNA1) !   475
104.00 0.20 0.20 166.00 0.20 0.20 200.00 0.20 0.20 229.00 0.20 0.20 
assi (resi   2 and name h6   and segi DNA1)
     (resi   1 and name h2'' and segi DNA1) !   479
60.20 0.20 0.20 95.60 0.20 0.20 119.00 0.20 0.20 145.00 0.20 0.20 

assi (resi   2 and name h6   and segi DNA1)
     (resi   1 and name h3'  and segi DNA1) !   216
11.20 0.25 0.20 26.10 0.25 0.20 37.50 0.25 0.20 52.20 0.25 0.20 

assi (resi   2 and name h5   and segi DNA1)
     (resi   1 and name h3'  and segi DNA1) !   276
 9.27 0.30 0.20 20.50 0.30 0.20 21.20 0.30 0.20 43.70 0.30 0.20 

assi (resi   2 and name h5   and segi DNA1)
     (resi   1 and name h2'' and segi DNA1) !   542
44.90 0.25 0.20 57.50 0.25 0.20 86.40 0.25 0.20 110.00 0.25 0.20 

!#####################################################################
assi (resi   2 and name h6   and segi DNA1)
     (resi   2 and name h1'  and segi DNA1) !   190
15.20 0.15 0.15 29.30 0.15 0.15 55.10 0.15 0.15 72.40 0.15 0.15 

assi (resi   2 and name h6   and segi DNA1)
     (resi   2 and name h2'' and segi DNA1) !   478
80.00 0.25 0.20 148.00 0.25 0.20 209.00 0.25 0.20 270.00 0.25 0.20 

assi (resi   2 and name h6   and segi DNA1)
     (resi   2 and name h3'  and segi DNA1) !   213
23.10 0.25 0.20 46.40 0.25 0.20 72.70 0.25 0.20 97.00 0.25 0.20 

assi (resi   2 and name h5   and segi DNA1)
     (resi   2 and name h3'  and segi DNA1) !   324
13.80 0.30 0.20 19.70 0.30 0.20 30.80 0.30 0.20 48.00 0.30 0.20 

assi (resi   2 and name h1'  and segi DNA1)
     (resi   2 and name h2'  and segi DNA1) !   506
42.90 0.20 0.20 99.20 0.20 0.20 142.00 0.20 0.20 173.00 0.20 0.20 
assi (resi   2 and name h1'  and segi DNA1)
     (resi   2 and name h2'' and segi DNA1) !   507
202.00 0.20 0.20 307.00 0.20 0.20 392.00 0.20 0.20 444.00 0.20 0.15 

assi (resi   2 and name h1'  and segi DNA1)
     (resi   2 and name h3'  and segi DNA1) !   325
47.20 0.20 0.20 86.90 0.20 0.20 115.00 0.20 0.20 166.00 0.20 0.20 

assi (resi   2 and name h1'  and segi DNA1)
     (resi   2 and name h4'  and segi DNA1) !   279
67.40 0.20 0.20 120.00 0.20 0.20 156.00 0.20 0.20 201.00 0.20 0.20 

assi (resi   2 and name h3'  and segi DNA1)
     (resi   2 and name h2'  and segi DNA1) !   671
199.00 0.20 0.20 319.00 0.20 0.20 394.00 0.20 0.20 445.00 0.20 0.20 

!#####################################################################
assi (resi   3 and name h8   and segi DNA1)
     (resi   2 and name h6   and segi DNA1) !   360
 1.28 0.20 0.20  3.96 0.20 0.20  7.50 0.20 0.20 15.30 0.20 0.15 

assi (resi   3 and name h8   and segi DNA1)
     (resi   2 and name h1'  and segi DNA1) !   187
10.70 0.15 0.15 27.30 0.15 0.15 37.30 0.15 0.15 53.70 0.15 0.15 

assi (resi   3 and name h8   and segi DNA1)
     (resi   2 and name h3'  and segi DNA1) !   233
 3.02 0.30 0.20 11.10 0.30 0.20 14.70 0.30 0.20 18.40 0.30 0.20 

assi (resi   2 and name h2'  and segi DNA1)
     (resi   3 and name h8   and segi DNA1) !   552
 9.38 0.20 0.20 27.10 0.20 0.20 31.70 0.20 0.20 38.50 0.20 0.20 
assi (resi   3 and name h8   and segi DNA1)
     (resi   2 and name h2'' and segi DNA1) !   425
49.30 0.20 0.20 74.00 0.20 0.20 94.70 0.20 0.20 109.00 0.20 0.20 

!#####################################################################
assi (resi   3 and name h8   and segi DNA1)
     (resi   3 and name h1'  and segi DNA1) !   147
14.30 0.15 0.15 31.50 0.15 0.15 47.90 0.15 0.15 69.40 0.15 0.15

assi (resi   3 and name h8   and segi DNA1)
     (resi   3 and name h2'  and segi DNA1) !   430
221.00 0.20 0.20 328.00 0.20 0.20 379.00 0.20 0.20 381.00 0.20 0.20
assi (resi   3 and name h8   and segi DNA1)
     (resi   3 and name h2'' and segi DNA1) !   431
49.40 0.20 0.20 104.00 0.20 0.20 164.00 0.20 0.20 186.00 0.20 0.20

assi (resi   3 and name h8   and segi DNA1)
     (resi   3 and name h3'  and segi DNA1) !   235
16.50 0.25 0.20 25.10 0.25 0.20 57.00 0.25 0.20 75.90 0.25 0.20 

assi (resi   3 and name h8   and segi DNA1)
     (resi   3 and name h4'  and segi DNA1) !   329
 1.88 0.25 0.20  6.72 0.25 0.20 16.80 0.25 0.20 27.90 0.25 0.20 

assi (resi   3 and name h1'  and segi DNA1)
     (resi   3 and name h2'  and segi DNA1) !   515
153.00 0.20 0.20 293.00 0.20 0.20 428.00 0.20 0.20 510.00 0.20 0.20 
assi (resi   3 and name h1'  and segi DNA1)
     (resi   3 and name h2'' and segi DNA1) !   516
462.00 0.20 0.20 708.00 0.20 0.20 847.00 0.20 0.20 915.00 0.20 0.20 

assi (resi   3 and name h2   and segi DNA1)
     (resi   3 and name h1'  and segi DNA1) !   156
 2.99 0.20 0.20  3.24 0.20 0.20 11.50 0.20 0.20 12.60 0.20 0.20 

assi (resi   3 and name h3'  and segi DNA1)
     (resi   3 and name h2'' and segi DNA1) !   672
108.00 0.20 0.20 188.00 0.20 0.20 250.00 0.20 0.20 309.00 0.20 0.20 

assi (resi   3 and name h1'  and segi DNA1)
     (resi   3 and name h3'  and segi DNA1) !   271
14.50 0.20 0.20 39.50 0.20 0.20 52.10 0.20 0.20 89.10 0.20 0.20 

assi (resi   3 and name h4'  and segi DNA1)
     (resi   3 and name h1'  and segi DNA1) !   374
49.30 0.20 0.20 73.60 0.20 0.20 96.40 0.20 0.20 109.00 0.20 0.20 

assi (resi   3 and name h4'  and segi DNA1)
     (resi   3 and name h2'  and segi DNA1) !   677
14.20 0.20 0.20 36.70 0.20 0.20 47.80 0.20 0.20 85.50 0.20 0.20
assi (resi   3 and name h4'  and segi DNA1)
     (resi   3 and name h2'' and segi DNA1) !   676
13.40 0.20 0.20 22.10 0.20 0.20 43.00 0.20 0.20 58.00 0.20 0.20

!#####################################################################
assi (resi   4 and name h6   and segi DNA1)
     (resi   3 and name h8   and segi DNA1) !   358
 4.38 0.20 0.20  8.42 0.20 0.20 19.40 0.20 0.20 33.60 0.20 0.20 

assi (resi   3 and name h8   and segi DNA1)
     (resi   4 and name h5#  and segi DNA1) !   417
57.00 0.20 0.20 93.10 0.20 0.20 128.00 0.20 0.20 159.00 0.20 0.20 

assi (resi   4 and name h6   and segi DNA1)
     (resi   3 and name h1'  and segi DNA1) !   153
26.50 0.15 0.15 36.70 0.15 0.15 58.40 0.15 0.15 69.20 0.15 0.15 

assi (resi   4 and name h6   and segi DNA1)
     (resi   3 and name h2'  and segi DNA1) !   487
54.40 0.20 0.20 91.00 0.20 0.20 122.00 0.20 0.20 143.00 0.20 0.20 
assi (resi   4 and name h6   and segi DNA1)
     (resi   3 and name h2'' and segi DNA1) !   446
98.50 0.20 0.20 138.00 0.20 0.20 173.00 0.20 0.20 182.00 0.20 0.20 

assi (resi   4 and name h6   and segi DNA1)
     (resi   3 and name h3'  and segi DNA1) !   236
 0.46 0.25 0.20 12.10 0.25 0.20 17.00 0.25 0.20 25.80 0.25 0.20 

assi (resi   3 and name h4'  and segi DNA1)
     (resi   4 and name h6   and segi DNA1) !   125
 0.61 0.25 0.20  2.20 0.25 0.20  4.12 0.25 0.20  6.55 0.25 0.20 

assi (resi   4 and name h5#  and segi DNA1)
     (resi   3 and name h1'  and segi DNA1) !   613
 0.86 0.25 0.20 14.70 0.25 0.20 29.30 0.25 0.20 38.00 0.25 0.20 

assi (resi   4 and name h5#  and segi DNA1)
     (resi   3 and name h2'  and segi DNA1) !   705
57.30 0.20 0.20 109.00 0.20 0.20 144.00 0.20 0.20 185.00 0.20 0.20 
assi (resi   4 and name h5#  and segi DNA1)
     (resi   3 and name h2'' and segi DNA1) !   706
46.30 0.20 0.20 84.00 0.20 0.20 109.00 0.20 0.20 154.00 0.20 0.20 

assi (resi   3 and name h3'  and segi DNA1)
     (resi   4 and name h5#  and segi DNA1) !   647
 9.15 0.25 0.20 27.60 0.25 0.20 40.60 0.25 0.20 46.00 0.25 0.20 

!#####################################################################
assi (resi   3 and name h2   and segi DNA1)
     (resi   4 and name h1'  and segi DNA1) !   161
17.60 0.20 0.20 26.00 0.20 0.20 29.60 0.20 0.20 33.10 0.20 0.20 

!#####################################################################
assi (resi   4 and name h6   and segi DNA1)
     (resi   4 and name h1'  and segi DNA1) !   159
20.20 0.15 0.15 37.70 0.15 0.15 58.30 0.15 0.15 69.90 0.15 0.15

assi (resi   4 and name h1'  and segi DNA1)
     (resi   4 and name h2'  and segi DNA1) !   539
70.70 0.20 0.20 132.00 0.20 0.20 180.00 0.20 0.20 229.00 0.20 0.20 
assi (resi   4 and name h1'  and segi DNA1)
     (resi   4 and name h2'' and segi DNA1) !   543
303.00 0.20 0.20 471.00 0.20 0.20 574.00 0.20 0.20 631.00 0.20 0.20 

assi (resi   4 and name h4'  and segi DNA1)
     (resi   4 and name h6   and segi DNA1) !   117
24.40 0.25 0.20 45.20 0.25 0.20 67.70 0.25 0.20 97.80 0.25 0.20 

assi (resi   4 and name h1'  and segi DNA1)
     (resi   4 and name h3'  and segi DNA1) !   291
17.50 0.20 0.20 36.90 0.20 0.20 55.00 0.20 0.20 76.80 0.20 0.20 

assi (resi   4 and name h1'  and segi DNA1)
     (resi   4 and name h4'  and segi DNA1) !   319
!206.00 0.25 0.20 348.00 0.25 0.20 471.00 0.25 0.20 566.00 0.25 0.20 
79.10 0.25 0.25 146.00 0.25 0.25 210.00 0.25 0.25 272.00 0.25 0.25

assi (resi   4 and name h6   and segi DNA1)
     (resi   4 and name h2'  and segi DNA1) !   466
246.00 0.20 0.20 360.00 0.20 0.20 408.00 0.20 0.20 424.00 0.20 0.15 
assi (resi   4 and name h6   and segi DNA1)
     (resi   4 and name h2'' and segi DNA1) !   449
45.00 0.20 0.20 96.40 0.20 0.20 145.00 0.20 0.20 186.00 0.20 0.20 

assi (resi   4 and name h2'' and segi DNA1)
     (resi   4 and name h5#  and segi DNA1) !   694
 1.14 0.20 0.20  5.41 0.20 0.20 27.80 0.20 0.20 25.30 0.20 0.20 

assi (resi   4 and name h3'  and segi DNA1)
     (resi   4 and name h2'  and segi DNA1) !   649
196.00 0.20 0.20 312.00 0.20 0.20 378.00 0.20 0.20 405.00 0.20 0.20 

assi (resi   4 and name h6   and segi DNA1)
     (resi   4 and name h3'  and segi DNA1) !   239
41.20 0.25 0.20 71.10 0.25 0.20 113.00 0.25 0.20 139.00 0.25 0.20 

assi (resi   4 and name h1'  and segi DNA1)
     (resi   4 and name h5#  and segi DNA1) !   501
 8.13 0.20 0.20  4.85 0.20 0.20 11.00 0.20 0.20 17.50 0.20 0.20 

assi (resi   4 and name h3'  and segi DNA1)
     (resi   4 and name h5#  and segi DNA1) !   653
 5.78 0.25 0.20 12.10 0.25 0.20 19.40 0.25 0.20 23.70 0.25 0.20 

assi (resi   4 and name h2'  and segi DNA1)
     (resi   4 and name h5#  and segi DNA1) !   695
48.90 0.20 0.20 70.10 0.20 0.20 114.00 0.20 0.20 108.00 0.20 0.20 

!#####################################################################
assi (resi   5 and name h5   and segi DNA1)
     (resi   4 and name h6   and segi DNA1) !    37
12.60 0.20 0.17 21.40 0.20 0.17 30.50 0.20 0.17 50.50 0.20 0.17 

assi (resi   5 and name h5   and segi DNA1)
     (resi   4 and name h3'  and segi DNA1) !   323
13.80 0.25 0.20 19.70 0.25 0.20 30.80 0.25 0.20 48.00 0.25 0.20 

assi (resi   5 and name h6   and segi DNA1)
     (resi   4 and name h3'  and segi DNA1) !   210
11.90 0.25 0.20 22.40 0.25 0.20 34.50 0.25 0.20 42.20 0.25 0.20 

assi (resi   4 and name h2'' and segi DNA1)
     (resi   5 and name h5   and segi DNA1) !   642
22.00 0.25 0.20 45.40 0.25 0.20 54.90 0.25 0.20 81.70 0.25 0.20 

assi (resi   5 and name h6   and segi DNA1)
     (resi   4 and name h1'  and segi DNA1) !   197
21.60 0.15 0.15 32.90 0.15 0.15 50.60 0.15 0.15 64.80 0.15 0.15 

assi (resi   5 and name h6   and segi DNA1)
     (resi   4 and name h6   and segi DNA1) !   142
 6.81 0.20 0.20 13.60 0.20 0.20 19.80 0.20 0.20 26.50 0.20 0.20 

assi (resi   5 and name h6   and segi DNA1)
     (resi   4 and name h2'  and segi DNA1) !   471
44.50 0.20 0.20 82.50 0.20 0.20 99.90 0.20 0.20 118.00 0.20 0.20 

assi (resi   5 and name h5   and segi DNA1)
     (resi   4 and name h5#  and segi DNA1) !   497
20.90 0.20 0.20 26.40 0.20 0.20 33.50 0.20 0.20 55.40 0.20 0.20 

assi (resi   5 and name h5   and segi DNA1)
     (resi   4 and name h2'  and segi DNA1) !   536
24.20 0.20 0.20 42.20 0.20 0.20 69.60 0.20 0.20 87.40 0.20 0.20 

!#####################################################################
assi (resi   5 and name h1'  and segi DNA1)
     (resi   5 and name h6   and segi DNA1) !    24
40.60 0.20 0.20 81.70 0.20 0.20 119.00 0.20 0.25 163.00 0.25 0.25

assi (resi   5 and name h1'  and segi DNA1)
     (resi   5 and name h2'' and segi DNA1) !   533
403.00 0.20 0.20 619.00 0.20 0.20 768.00 0.20 0.20 865.00 0.20 0.20 

assi (resi   5 and name h5   and segi DNA1)
     (resi   5 and name h3'  and segi DNA1) !   286
11.20 0.25 0.20 18.20 0.25 0.20 32.80 0.25 0.20 38.10 0.20 0.20 

assi (resi   5 and name h1'  and segi DNA1)
     (resi   5 and name h4'  and segi DNA1) !   321
79.10 0.20 0.20 146.00 0.20 0.20 210.00 0.20 0.20 272.00 0.20 0.20 

assi (resi   5 and name h6   and segi DNA1)
     (resi   5 and name h2'  and segi DNA1) !   473
251.00 0.20 0.20 366.00 0.20 0.20 422.00 0.20 0.20 434.00 0.20 0.20 
assi (resi   5 and name h6   and segi DNA1)
     (resi   5 and name h2'' and segi DNA1) !   485
106.00 0.20 0.20 202.00 0.20 0.20 276.00 0.20 0.20 335.00 0.20 0.20 

assi (resi   5 and name h6   and segi DNA1)
     (resi   5 and name h3'  and segi DNA1) !   209
98.10 0.25 0.20 158.00 0.25 0.20 202.00 0.25 0.20 237.00 0.25 0.20 

assi (resi   5 and name h1'  and segi DNA1)
     (resi   5 and name h3'  and segi DNA1) !   292
31.60 0.20 0.20 48.60 0.20 0.20 75.00 0.20 0.20 112.00 0.20 0.20 

assi (resi   5 and name h4'  and segi DNA1)
     (resi   5 and name h6   and segi DNA1) !   120
21.10 0.25 0.20 40.00 0.25 0.20 71.30 0.25 0.20 97.30 0.25 0.20 

!#####################################################################
assi (resi   6 and name h8   and segi DNA1)
     (resi   5 and name h3'  and segi DNA1) !   229
 6.50 0.25 0.20 16.60 0.25 0.20 19.90 0.25 0.20 27.80 0.25 0.20 

assi (resi   6 and name h8   and segi DNA1)
     (resi   5 and name h2'  and segi DNA1) !   427
18.90 0.20 0.20 32.70 0.20 0.20 40.90 0.20 0.20 48.00 0.20 0.20 
assi (resi   6 and name h8   and segi DNA1)
     (resi   5 and name h2'' and segi DNA1) !   428
19.10 0.20 0.20 32.30 0.20 0.20 50.20 0.20 0.20 61.20 0.20 0.20 

!#####################################################################
assi (resi   1 and name h11  and segi DRG1)
     (resi   5 and name h2'  and segi DNA1) !   488
15.60 0.20 0.20 23.50 0.20 0.20 32.70 0.20 0.20 36.50 0.20 0.20 
assi (resi   1 and name h11  and segi DRG1)
     (resi   5 and name h2'' and segi DNA1) !   489
19.30 0.20 0.20 29.90 0.20 0.20 43.20 0.20 0.20 49.90 0.20 0.20 

assi (resi   1 and name h11  and segi DRG1)
     (resi   5 and name h1'  and segi DNA1) !   251
 8.16 0.20 0.20 16.60 0.20 0.20 31.90 0.20 0.20 35.40 0.20 0.20 
assi (resi   1 and name h12  and segi DRG1)
     (resi   5 and name h1'  and segi DNA1) 
 8.06 0.20 0.20 15.80 0.20 0.20 30.90 0.20 0.20 34.40 0.20 0.20 

assi (resi   1 and name h10  and segi DRG1)
     (resi   5 and name h1'  and segi DNA1) !   245
 7.91 0.20 0.20 11.20 0.20 0.20 14.70 0.20 0.20 16.70 0.20 0.20 

assi (resi   1 and name h10  and segi DRG1)
     (resi   5 and name h5   and segi DNA1) !   244
15.30 0.20 0.20 10.20 0.20 0.20 12.60 0.20 0.20 17.80 0.20 0.20 

!#####################################################################
assi (resi   6 and name h1'  and segi DNA1)
     (resi   6 and name h3'  and segi DNA1) !   270
13.80 0.20 0.20 48.90 0.20 0.20 65.50 0.20 0.20 95.10 0.20 0.20 

assi (resi   6 and name h8   and segi DNA1)
     (resi   6 and name h4'  and segi DNA1) !   332
 4.75 0.25 0.20  4.77 0.25 0.20 19.80 0.25 0.20 30.20 0.25 0.20 

assi (resi   6 and name h1'  and segi DNA1)
     (resi   6 and name h2'  and segi DNA1) !   537
153.00 0.20 0.20 293.00 0.20 0.20 428.00 0.20 0.20 510.00 0.20 0.20 
assi (resi   6 and name h1'  and segi DNA1)
     (resi   6 and name h2'' and segi DNA1) !   538
462.00 0.20 0.20 708.00 0.20 0.20 847.00 0.20 0.20 915.00 0.20 0.20 

assi (resi   6 and name h8   and segi DNA1)
     (resi   6 and name h2'  and segi DNA1) !   436
241.00 0.20 0.20 366.00 0.20 0.20 409.00 0.20 0.20 449.00 0.20 0.20 

assi (resi   6 and name h4'  and segi DNA1)
     (resi   6 and name h2'' and segi DNA1) !   679
 6.47 0.20 0.20 19.00 0.20 0.20 32.20 0.20 0.20 47.00 0.20 0.20 

assi (resi   6 and name h1'  and segi DNA1)
     (resi   6 and name h4'  and segi DNA1) !   301
47.60 0.20 0.20 79.50 0.20 0.20 111.00 0.20 0.20 129.00 0.20 0.20 

assi (resi   6 and name h8   and segi DNA1)
     (resi   6 and name h3'  and segi DNA1) !   228
16.30 0.25 0.20 38.10 0.25 0.20 62.50 0.25 0.20 94.50 0.25 0.20 

assi (resi   6 and name h8   and segi DNA1)
     (resi   6 and name h2'' and segi DNA1) !   437
54.30 0.20 0.20 126.00 0.20 0.20 174.00 0.20 0.20 216.00 0.20 0.20 

assi (resi   6 and name h8   and segi DNA1)
     (resi   6 and name h1'  and segi DNA1) !   148
23.00 0.15 0.15 42.10 0.15 0.15 62.00 0.15 0.15 83.80 0.15 0.15 

!#####################################################################
assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h8   and segi DNA1) !   355
23.40 0.20 0.20 36.70 0.20 0.20 43.10 0.20 0.20 65.00 0.20 0.20 

assi (resi   7 and name h5   and segi DNA1)
     (resi   6 and name h8   and segi DNA1) !    47
23.80 0.20 0.20 37.50 0.20 0.20 56.30 0.20 0.20 69.30 0.20 0.20 

assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h2'  and segi DNA1) !   441
67.60 0.20 0.20 118.00 0.20 0.20 159.00 0.20 0.20 191.00 0.20 0.20 
assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h2'' and segi DNA1) !   440
135.00 0.20 0.20 209.00 0.20 0.20 245.00 0.20 0.20 244.00 0.20 0.20 

assi (resi   7 and name h5   and segi DNA1)
     (resi   6 and name h1'  and segi DNA1) !   259
 5.80 0.20 0.20 19.60 0.20 0.20 21.70 0.20 0.20 32.60 0.20 0.20 

assi (resi   7 and name h5   and segi DNA1)
     (resi   6 and name h2'  and segi DNA1) !   514
41.60 0.20 0.20 75.40 0.20 0.20 106.00 0.20 0.20 135.00 0.20 0.20 

assi (resi   7 and name h5   and segi DNA1)
     (resi   6 and name h2'' and segi DNA1) !   513
22.60 0.20 0.20 51.00 0.20 0.20 68.40 0.20 0.20 76.10 0.20 0.20 

assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h3'  and segi DNA1) !   241
23.70 0.25 0.20 36.90 0.25 0.20 58.70 0.25 0.20 76.00 0.25 0.20 

assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h4'  and segi DNA1) !   347
 3.98 0.25 0.20  5.09 0.25 0.20  6.86 0.25 0.20  9.48 0.25 0.20 

assi (resi   7 and name h6   and segi DNA1)
     (resi   6 and name h1'  and segi DNA1) !   152
37.90 0.15 0.15 55.80 0.15 0.15 74.10 0.15 0.15 86.90 0.15 0.15 

assi (resi   7 and name h5   and segi DNA1)
     (resi   6 and name h3'  and segi DNA1) !   282
 5.17 0.25 0.20  7.38 0.25 0.20  8.99 0.25 0.20 21.50 0.25 0.20 

!#####################################################################
assi (resi   1 and name h11  and segi DRG1)
     (resi   6 and name h1'  and segi DNA1) !   711
41.40 0.20 0.20 41.40 0.20 0.20 46.30 0.20 0.20 39.10 0.20 0.20 
assi (resi   1 and name h12  and segi DRG1)
     (resi   6 and name h1'  and segi DNA1) 
41.40 0.20 0.20 41.40 0.20 0.20 46.30 0.20 0.20 39.10 0.20 0.20 

assi (resi   6 and name h1'  and segi DNA1)
     (resi   1 and name h1   and segi DRG1) !   248
 3.57 0.20 0.20 14.80 0.20 0.20 25.50 0.20 0.20 27.90 0.20 0.20 

!#####################################################################
assi (resi   7 and name h1'  and segi DNA1)
     (resi   7 and name h2'  and segi DNA1) !   534
64.80 0.20 0.20 127.00 0.20 0.20 171.00 0.20 0.20 203.00 0.20 0.20 
assi (resi   7 and name h1'  and segi DNA1)
     (resi   7 and name h2'' and segi DNA1) !   532
274.00 0.20 0.20 426.00 0.20 0.20 509.00 0.20 0.20 571.00 0.20 0.20 

assi (resi   7 and name h3'  and segi DNA1)
     (resi   7 and name h2'  and segi DNA1) !   669
171.00 0.20 0.20 249.00 0.20 0.20 311.00 0.20 0.20 322.00 0.20 0.20 
assi (resi   7 and name h3'  and segi DNA1)
     (resi   7 and name h2'' and segi DNA1) !   664
96.90 0.20 0.20 166.00 0.20 0.20 221.00 0.20 0.20 252.00 0.20 0.20 

assi (resi   7 and name h5   and segi DNA1)
     (resi   7 and name h1'  and segi DNA1) !   257
 4.92 0.20 0.20 15.90 0.20 0.20  6.68 0.20 0.20 16.90 0.20 0.20 

assi (resi   7 and name h5   and segi DNA1)
     (resi   7 and name h2'' and segi DNA1) !   510
 8.49 0.20 0.20 12.00 0.20 0.20 22.30 0.20 0.20 38.10 0.20 0.20 

assi (resi   7 and name h4'  and segi DNA1)
     (resi   7 and name h6   and segi DNA1) !   119
 5.57 0.20 0.20 21.10 0.20 0.20 31.70 0.20 0.20 45.00 0.20 0.20 

assi (resi   7 and name h1'  and segi DNA1)
     (resi   7 and name h3'  and segi DNA1) !   322
 2.81 0.20 0.20 20.60 0.20 0.20 38.30 0.20 0.20 48.30 0.20 0.20 

assi (resi   7 and name h1'  and segi DNA1)
     (resi   7 and name h4'  and segi DNA1) !   320
79.10 0.25 0.25 146.00 0.25 0.25 210.00 0.25 0.25 272.00 0.25 0.25

assi (resi   7 and name h6   and segi DNA1)
     (resi   7 and name h3'  and segi DNA1) !   208
14.60 0.20 0.20 17.00 0.20 0.20 44.10 0.20 0.20 49.10 0.20 0.20 

assi (resi   7 and name h6   and segi DNA1)
     (resi   7 and name h2'  and segi DNA1) !   472
255.00 0.20 0.20 358.00 0.20 0.20 400.00 0.20 0.20 392.00 0.20 0.20 
assi (resi   7 and name h6   and segi DNA1)
     (resi   7 and name h2'' and segi DNA1) !   486
84.60 0.20 0.20 169.00 0.20 0.20 237.00 0.20 0.20 289.00 0.20 0.20 

assi (resi   7 and name h1'  and segi DNA1)
     (resi   7 and name h6   and segi DNA1) !    24
40.60 0.15 0.15 81.70 0.15 0.15 119.00 0.15 0.15 163.00 0.15 0.15 

!#####################################################################
assi (resi   8 and name h6   and segi DNA1)
     (resi   7 and name h1'  and segi DNA1) !   164
24.50 0.15 0.15 45.70 0.15 0.15 63.90 0.15 0.15 83.20 0.15 0.15 

assi (resi   7 and name h5   and segi DNA1)
     (resi   8 and name h5#  and segi DNA1) !   498
36.40 0.20 0.20 58.90 0.20 0.20 86.50 0.20 0.20 118.00 0.20 0.20 

assi (resi   8 and name h6   and segi DNA1)
     (resi   7 and name h2'' and segi DNA1) !   456
119.00 0.20 0.20 173.00 0.20 0.20 208.00 0.20 0.20 227.00 0.20 0.20 

assi (resi   8 and name h5#  and segi DNA1)
     (resi   7 and name h1'  and segi DNA1) !   612
11.80 0.20 0.20 23.40 0.20 0.20 31.30 0.20 0.20 45.90 0.20 0.20 

assi (resi   8 and name h5#  and segi DNA1)
     (resi   7 and name h2'  and segi DNA1) !   703
106.00 0.20 0.20 165.00 0.20 0.20 181.00 0.20 0.20 212.00 0.20 0.20 
assi (resi   8 and name h5#  and segi DNA1)
     (resi   7 and name h2'' and segi DNA1) !   704
55.30 0.20 0.25 100.00 0.20 0.25 125.00 0.20 0.25 171.00 0.20 0.25 

assi (resi   7 and name h3'  and segi DNA1)
     (resi   8 and name h5#  and segi DNA1) !   655
48.70 0.20 0.20 74.80 0.20 0.20 116.00 0.20 0.20 127.00 0.20 0.20 

assi (resi   7 and name h6   and segi DNA1)
     (resi   8 and name h5#  and segi DNA1) !   419
75.10 0.20 0.20 134.00 0.20 0.20 180.00 0.20 0.20 218.00 0.20 0.20 

assi (resi   8 and name h6   and segi DNA1)
     (resi   7 and name h3'  and segi DNA1) !   240
 2.72 0.20 0.20  2.52 0.20 0.20  9.96 0.20 0.20 13.40 0.20 0.20 

!#####################################################################
assi (resi   8 and name h1'  and segi DNA1)
     (resi   8 and name h4'  and segi DNA1) !   311
82.50 0.20 0.20 139.00 0.20 0.20 185.00 0.20 0.20 223.00 0.20 0.20 

assi (resi   8 and name h4'  and segi DNA1)
     (resi   8 and name h6   and segi DNA1) !   121
48.50 0.25 0.20 93.50 0.25 0.20 148.00 0.25 0.20 193.00 0.25 0.20 

assi (resi   8 and name h1'  and segi DNA1)
     (resi   8 and name h3'  and segi DNA1) !   278
14.80 0.20 0.20 35.90 0.20 0.20 54.20 0.20 0.20 83.00 0.20 0.20 

assi (resi   8 and name h2'' and segi DNA1)
     (resi   8 and name h6   and segi DNA1) !   596
119.00 0.20 0.20 254.00 0.20 0.20 371.00 0.20 0.20 473.00 0.20 0.20 

assi (resi   8 and name h6   and segi DNA1)
     (resi   8 and name h1'  and segi DNA1) !   175
15.50 0.15 0.15 42.80 0.15 0.15 64.20 0.15 0.15 81.90 0.15 0.15 

assi (resi   8 and name h6   and segi DNA1)
     (resi   8 and name h3'  and segi DNA1) !   207
33.30 0.20 0.20 60.00 0.20 0.20 94.30 0.20 0.20 125.00 0.20 0.20 

assi (resi   8 and name h2'' and segi DNA1)
     (resi   8 and name h5#  and segi DNA1) !   698
13.20 0.20 0.20 21.60 0.20 0.20 39.10 0.20 0.20 46.90 0.20 0.20 

assi (resi   8 and name h3'  and segi DNA1)
     (resi   8 and name h5#  and segi DNA1) !   656
 8.54 0.20 0.20  8.62 0.20 0.20 19.90 0.20 0.20 24.10 0.20 0.20 

assi (resi   8 and name h1'  and segi DNA1)
     (resi   8 and name h2'  and segi DNA1) !   522
105.00 0.20 0.20 177.00 0.20 0.20 265.00 0.20 0.20 322.00 0.20 0.20 
assi (resi   8 and name h1'  and segi DNA1)
     (resi   8 and name h2'' and segi DNA1) !   524
329.00 0.20 0.20 513.00 0.20 0.20 635.00 0.20 0.20 708.00 0.20 0.20 

!#####################################################################
assi (resi   9 and name h8   and segi DNA1)
     (resi   8 and name h2'  and segi DNA1) !   423
20.20 0.20 0.20 50.60 0.20 0.20 68.80 0.20 0.20 77.80 0.20 0.20
assi (resi   9 and name h8   and segi DNA1)
     (resi   8 and name h2'' and segi DNA1) !   424
56.70 0.20 0.20 93.30 0.20 0.20 105.00 0.20 0.20 132.00 0.20 0.20 

assi (resi   9 and name h8   and segi DNA1)
     (resi   8 and name h6   and segi DNA1) !   357
20.40 0.20 0.20 34.00 0.20 0.20 52.10 0.20 0.20 69.70 0.20 0.20

assi (resi   9 and name h8   and segi DNA1)
     (resi   8 and name h1'  and segi DNA1) !   185
10.60 0.15 0.15 22.60 0.15 0.15 36.50 0.15 0.15 42.10 0.15 0.15 

assi (resi   9 and name h8   and segi DNA1)
     (resi   8 and name h3'  and segi DNA1) !   232
 7.82 0.20 0.20 15.30 0.20 0.20 20.70 0.20 0.20 21.80 0.20 0.20 

!#####################################################################
assi (resi   9 and name h3'  and segi DNA1)
     (resi   9 and name h2'' and segi DNA1) !   668
93.10 0.20 0.20 158.00 0.20 0.20 227.00 0.20 0.20 269.00 0.20 0.20 

assi (resi   9 and name h2   and segi DNA1)
     (resi   9 and name h1'  and segi DNA1) !   155
 2.35 0.20 0.20  7.46 0.20 0.20 11.20 0.20 0.20 14.10 0.20 0.20 

assi (resi   9 and name h3'  and segi DNA1)
     (resi   9 and name h2'  and segi DNA1) !   667
179.00 0.20 0.20 285.00 0.20 0.20 356.00 0.20 0.20 397.00 0.20 0.20 

assi (resi   9 and name h8   and segi DNA1)
     (resi   9 and name h2'  and segi DNA1) !   432
284.00 0.20 0.20 417.00 0.20 0.20 488.00 0.20 0.20 521.00 0.20 0.20 
assi (resi   9 and name h8   and segi DNA1)
     (resi   9 and name h2'' and segi DNA1) !   433
71.90 0.20 0.20 153.00 0.20 0.20 226.00 0.20 0.20 278.00 0.20 0.20 

assi (resi   9 and name h1'  and segi DNA1)
     (resi   9 and name h3'  and segi DNA1) !   269
18.00 0.20 0.20 48.80 0.20 0.20 73.80 0.20 0.20 115.00 0.20 0.20 

assi (resi   9 and name h1'  and segi DNA1)
     (resi   9 and name h2'  and segi DNA1) !   517
103.00 0.20 0.20 193.00 0.20 0.20 265.00 0.20 0.20 325.00 0.20 0.20 
assi (resi   9 and name h1'  and segi DNA1)
     (resi   9 and name h2'' and segi DNA1) !   518
255.00 0.20 0.20 382.00 0.20 0.20 460.00 0.20 0.20 517.00 0.20 0.20 

assi (resi   9 and name h8   and segi DNA1)
     (resi   9 and name h3'  and segi DNA1) !   234
19.70 0.20 0.20 49.80 0.20 0.20 85.60 0.20 0.20 112.00 0.20 0.20 

assi (resi   9 and name h8   and segi DNA1)
     (resi   9 and name h4'  and segi DNA1) !   330
 5.25 0.20 0.20  5.61 0.20 0.20 11.70 0.20 0.20 30.10 0.20 0.20 

assi (resi   9 and name h8   and segi DNA1)
     (resi   9 and name h1'  and segi DNA1) !   146
13.00 0.15 0.15 42.20 0.15 0.15 63.10 0.15 0.15 83.40 0.15 0.15 

assi (resi   9 and name h1'  and segi DNA1)
     (resi   9 and name h4'  and segi DNA1) !   299
57.00 0.20 0.20 98.60 0.20 0.20 132.00 0.20 0.20 163.00 0.20 0.20 

assi (resi   9 and name h4'  and segi DNA1)
     (resi   9 and name h2'' and segi DNA1) !   678
11.00 0.20 0.20 40.40 0.20 0.20 53.40 0.20 0.20 71.10 0.20 0.20 

!#####################################################################
assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h4'  and segi DNA1) !   346
 4.59 0.20 0.20  1.00 1.00 1.00  7.19 1.00 1.00 16.00 1.00 1.00 

assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h8   and segi DNA1) !   357
20.40 0.20 0.20 34.00 0.20 0.20 52.10 0.20 0.20 69.70 0.20 0.20 

assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h2'  and segi DNA1) !   442
64.30 0.20 0.20 108.00 0.20 0.20 152.00 0.20 0.20 180.00 0.20 0.20 
assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h2'' and segi DNA1) !   443
124.00 0.20 0.20 187.00 0.20 0.20 219.00 0.20 0.20 232.00 0.20 0.20 

assi (resi   9 and name h2'  and segi DNA1)
     (resi  10 and name h5   and segi DNA1) !   623
39.60 0.20 0.20 63.20 0.20 0.20 96.00 0.20 0.20 124.00 0.20 0.20 
assi (resi  10 and name h5   and segi DNA1)
     (resi   9 and name h2'' and segi DNA1) !   512
26.10 0.20 0.20 55.90 0.20 0.20 70.90 0.20 0.20 89.50 0.20 0.20 

assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h3'  and segi DNA1) !   205
 5.62 0.20 0.20 16.70 0.20 0.20 30.50 0.20 0.20 34.10 0.20 0.20 

assi (resi  10 and name h5   and segi DNA1)
     (resi   9 and name h1'  and segi DNA1) !   258
18.20 0.20 0.20 18.80 0.20 0.20 42.30 0.20 0.20 43.40 0.20 0.20 

assi (resi  10 and name h5   and segi DNA1)
     (resi   9 and name h3'  and segi DNA1) !   283
 0.56 0.20 0.20  5.46 0.20 0.20  9.31 0.20 0.20 12.00 0.20 0.20 

assi (resi  10 and name h5   and segi DNA1)
    ((resi   9 and name h5'  and segi DNA1)
  or (resi   9 and name h5'' and segi DNA1))!   281
 9.18 0.20 0.20 15.00 0.20 0.20 23.80 0.20 0.20 34.30 0.20 0.20 

assi (resi  10 and name h6   and segi DNA1)
     (resi   9 and name h1'  and segi DNA1) !   151
29.20 0.15 0.15 60.10 0.15 0.15 89.30 0.15 0.15 106.00 0.15 0.15 

assi (resi  10 and name h1'  and segi DNA1)
    ((resi   9 and name h5'  and segi DNA1)
  or (resi   9 and name h5'' and segi DNA1))!   317
 7.95 0.25 0.20 24.00 0.25 0.20 41.10 0.25 0.20 54.30 0.25 0.20 

assi (resi  10 and name h5   and segi DNA1)
     (resi   9 and name h8   and segi DNA1) !    45
24.40 0.20 0.20 40.00 0.20 0.20 58.80 0.20 0.20 64.60 0.20 0.20 

!#####################################################################
assi (resi  15 and name h2   and segi DNA2)
     (resi   9 and name h1'  and segi DNA1) !   158
 1.00 1.00 1.00  2.86 1.00 1.00  4.16 1.00 1.00  9.17 1.00 1.00 

assi (resi   9 and name h2   and segi DNA1)
     (resi  15 and name h2   and segi DNA2) !   130
57.80 0.20 0.20 86.70 0.20 0.20 117.00 0.20 0.20 115.00 0.20 0.20 

assi (resi   9 and name h2   and segi DNA1)
     (resi  10 and name h1'  and segi DNA1) !   165
 6.19 0.20 0.20 15.50 0.20 0.20 25.60 0.20 0.20 26.30 0.20 0.20 

!#####################################################################
assi (resi  10 and name h4'  and segi DNA1)
     (resi  10 and name h6   and segi DNA1) !   121
48.50 0.25 0.20 93.50 0.25 0.20 148.00 0.25 0.20 193.00 0.25 0.20

assi (resi  10 and name h2'' and segi DNA1)
     (resi  10 and name h6   and segi DNA1) !   596
119.00 0.20 0.20 254.00 0.20 0.20 371.00 0.20 0.20 473.00 0.20 0.20

assi (resi  10 and name h1'  and segi DNA1)
     (resi  10 and name h2'  and segi DNA1) !   529
90.00 0.20 0.20 181.00 0.20 0.20 268.00 0.20 0.20 325.00 0.20 0.20 
assi (resi  10 and name h1'  and segi DNA1)
     (resi  10 and name h2'' and segi DNA1) !   530
289.00 0.20 0.20 462.00 0.20 0.20 581.00 0.20 0.20 651.00 0.20 0.20 

assi (resi  10 and name h1'  and segi DNA1)
     (resi  10 and name h4'  and segi DNA1) !   308
115.00 0.20 0.20 212.00 0.20 0.20 287.00 0.20 0.20 346.00 0.20 0.20 

assi (resi  10 and name h3'  and segi DNA1)
     (resi  10 and name h2'  and segi DNA1) !   670
202.00 0.20 0.20 320.00 0.20 0.20 411.00 0.20 0.20 448.00 0.20 0.20 

assi (resi  10 and name h6   and segi DNA1)
     (resi  10 and name h1'  and segi DNA1) !   163
32.40 0.15 0.15 45.90 0.15 0.15 74.50 0.15 0.15 87.10 0.15 0.15 

assi (resi  10 and name h1'  and segi DNA1)
     (resi  10 and name h3'  and segi DNA1) !   290
24.00 0.20 0.20 23.20 0.20 0.20 37.40 0.20 0.20 43.40 0.20 0.20 

assi (resi  10 and name h5   and segi DNA1)
     (resi  10 and name h2'' and segi DNA1) !   509
 8.72 0.20 0.20 24.10 0.20 0.20 32.50 0.20 0.20 44.00 0.20 0.20 

assi (resi  10 and name h6   and segi DNA1)
     (resi  10 and name h3'  and segi DNA1) !   206
27.20 0.20 0.20 51.60 0.20 0.20 74.10 0.20 0.20 92.50 0.20 0.20 

assi (resi  10 and name h5   and segi DNA1)
     (resi  10 and name h1'  and segi DNA1) !   260
 2.57 0.20 0.20  4.96 0.20 0.20 11.40 0.20 0.20 20.40 0.20 0.20 

!#####################################################################
assi (resi  11 and name h6   and segi DNA1)
     (resi  10 and name h2'  and segi DNA1) !   474
76.90 0.20 0.20 127.00 0.20 0.20 162.00 0.20 0.20 180.00 0.20 0.20 

assi (resi  11 and name h6   and segi DNA1)
     (resi  10 and name h1'  and segi DNA1) !   166
20.70 0.15 0.15 42.40 0.15 0.15 56.40 0.15 0.15 70.30 0.15 0.15 

assi (resi  11 and name h6   and segi DNA1)
     (resi  10 and name h3'  and segi DNA1) !   215
 5.02 0.20 0.20 13.50 0.20 0.20 28.60 0.20 0.20 38.60 0.20 0.20 

assi (resi  11 and name h5   and segi DNA1)
     (resi  10 and name h3'  and segi DNA1) !   285
 4.09 0.20 0.20  2.82 0.20 0.20  6.83 0.20 0.20 14.00 0.20 0.20 

assi (resi  10 and name h6   and segi DNA1)
     (resi  11 and name h5   and segi DNA1) !   180
28.00 0.20 0.20 56.40 0.20 0.20 63.50 0.20 0.20 78.50 0.20 0.20 

assi (resi  10 and name h5   and segi DNA1)
     (resi  11 and name h5   and segi DNA1) !   256
29.50 0.20 0.20 34.40 0.20 0.20 37.90 0.20 0.20 42.30 0.20 0.20 

assi (resi  11 and name h5   and segi DNA1)
     (resi  10 and name h2'' and segi DNA1) !   541
22.20 0.20 0.20 44.70 0.20 0.20 62.20 0.20 0.20 85.10 0.20 0.20 

assi (resi  10 and name h6   and segi DNA1)
     (resi  11 and name h6   and segi DNA1) !   362
44.10 0.20 0.20 42.30 0.20 0.20 44.60 0.20 0.20 49.50 0.20 0.20 

!#####################################################################
assi (resi  11 and name h1'  and segi DNA1)
     (resi  11 and name h4'  and segi DNA1) !   298
60.20 0.20 0.20 106.00 0.20 0.20 144.00 0.20 0.20 171.00 0.20 0.20 

assi (resi  11 and name h5   and segi DNA1)
     (resi  11 and name h3'  and segi DNA1) !   275
 2.49 0.20 0.20 14.60 0.20 0.20 23.00 0.20 0.20 35.30 0.20 0.20 

assi (resi  11 and name h4'  and segi DNA1)
     (resi  11 and name h6   and segi DNA1) !   113
28.50 0.20 0.20 56.00 0.20 0.20 87.80 0.20 0.20 110.00 0.20 0.20 

assi (resi  11 and name h6   and segi DNA1)
     (resi  11 and name h3'  and segi DNA1) !   198
60.90 0.20 0.20 106.00 0.20 0.20 141.00 0.20 0.20 173.00 0.20 0.20 

assi (resi  11 and name h1'  and segi DNA1)
     (resi  11 and name h3'  and segi DNA1) !   267
13.60 0.20 0.20 29.20 0.20 0.20 40.20 0.20 0.20 65.90 0.20 0.20 

assi (resi  11 and name h1'  and segi DNA1)
    ((resi  11 and name h2'  and segi DNA1)
  or (resi  11 and name h2'' and segi DNA1))!   637
281.00 0.20 0.20 469.00 0.20 0.20 645.00 0.20 0.20 763.00 0.20 0.20 

assi (resi  11 and name h6   and segi DNA1)
     (resi  11 and name h1'  and segi DNA1) !   150
20.30 0.15 0.15 38.70 0.15 0.15 64.70 0.15 0.15 83.50 0.15 0.15 

assi (resi  11 and name h3'  and segi DNA1)
    ((resi  11 and name h2'  and segi DNA1)
  or (resi  11 and name h2'' and segi DNA1))!   660
150.00 0.20 0.20 275.00 0.20 0.20 363.00 0.20 0.20 434.00 0.20 0.20 

assi (resi  11 and name h6   and segi DNA1)
    ((resi  11 and name h2'  and segi DNA1)
  or (resi  11 and name h2'' and segi DNA1))!   476
391.00 0.20 0.20 609.00 0.20 0.20 759.00 0.20 0.20 847.00 0.20 0.20 

!#####################################################################
!#####################################################################
assi (resi  12 and name h8   and segi DNA2)
     (resi  12 and name h4'  and segi DNA2) !   343
 2.60 0.20 0.20  7.64 0.20 0.20 11.00 0.20 0.20 16.80 0.20 0.20 

assi (resi  12 and name h8   and segi DNA2)
    ((resi  12 and name h5'  and segi DNA2)
  or (resi  12 and name h5'' and segi DNA2))!   327
12.30 0.20 0.20 31.20 0.20 0.20 47.30 0.20 0.20 61.70 0.20 0.20 

assi (resi  12 and name h8   and segi DNA2)
     (resi  12 and name h3'  and segi DNA2) !   224
 4.73 0.20 0.20 11.20 0.20 0.20 23.80 0.20 0.20 33.70 0.20 0.20 

assi (resi  12 and name h8   and segi DNA2)
     (resi  12 and name h2'  and segi DNA2) !   483
152.00 0.20 0.20 245.00 0.20 0.20 296.00 0.20 0.20 378.00 0.20 0.20 

assi (resi  12 and name h3'  and segi DNA2)
     (resi  12 and name h2'  and segi DNA2) !   665
212.00 0.20 0.20 346.00 0.20 0.20 456.00 0.20 0.20 507.00 0.20 0.20 
assi (resi  12 and name h3'  and segi DNA2)
     (resi  12 and name h2'' and segi DNA2) !   666
119.00 0.20 0.20 195.00 0.20 0.20 278.00 0.20 0.20 343.00 0.20 0.20 

assi (resi  12 and name h1'  and segi DNA2)
     (resi  12 and name h4'  and segi DNA2) !   314
63.50 0.20 0.20 110.00 0.20 0.20 152.00 0.20 0.20 197.00 0.20 0.20 

assi (resi  12 and name h1'  and segi DNA2)
     (resi  12 and name h2'  and segi DNA2) !   525
69.80 0.20 0.20 163.00 0.20 0.20 250.00 0.20 0.20 323.00 0.20 0.20 

assi (resi  12 and name h8   and segi DNA2)
     (resi  12 and name h1'  and segi DNA2) !   195
18.60 0.15 0.15 32.60 0.15 0.15 50.70 0.15 0.15 64.10 0.15 0.15 

assi (resi  12 and name h1'  and segi DNA2)
     (resi  12 and name h3'  and segi DNA2) !   274
18.80 0.20 0.20 32.50 0.20 0.20 51.80 0.20 0.20 68.40 0.20 0.20

!#####################################################################
assi (resi  13 and name h8   and segi DNA2)
     (resi  12 and name h1'  and segi DNA2) !   194
39.20 0.15 0.15 70.70 0.15 0.15 98.50 0.15 0.15 118.00 0.15 0.15 
assi (resi  13 and name h8   and segi DNA2)
     (resi  12 and name h3'  and segi DNA2) !   223
 6.98 0.20 0.20 13.70 0.20 0.20 34.20 0.20 0.20 41.90 0.20 0.20 

!#####################################################################
assi (resi  13 and name h8   and segi DNA2)
     (resi  13 and name h4'  and segi DNA2) !   333
 2.63 0.20 0.20  4.99 0.20 0.20 14.10 0.20 0.20 18.70 0.20 0.20 

assi (resi  13 and name h3'  and segi DNA2)
     (resi  13 and name h2'' and segi DNA2) !   673
123.00 0.20 0.20 208.00 0.20 0.20 266.00 0.20 0.20 318.00 0.20 0.20 

assi (resi  13 and name h8   and segi DNA2)
     (resi  13 and name h2'  and segi DNA2) !   484
317.00 0.20 0.20 480.00 0.20 0.20 580.00 0.20 0.20 649.00 0.20 0.20 
assi (resi  13 and name h8   and segi DNA2)
     (resi  13 and name h2'' and segi DNA2) !   461
49.90 0.20 0.20 118.00 0.20 0.20 170.00 0.20 0.20 215.00 0.20 0.20 

assi (resi  13 and name h8   and segi DNA2)
     (resi  13 and name h3'  and segi DNA2) !   222
17.30 0.20 0.20 31.10 0.20 0.20 54.90 0.20 0.20 86.10 0.20 0.20 

assi (resi  13 and name h8   and segi DNA2)
     (resi  13 and name h1'  and segi DNA2) !   162
36.90 0.15 0.15 47.20 0.15 0.15 66.20 0.15 0.15 90.90 0.15 0.15 

assi (resi  13 and name h4'  and segi DNA2)
     (resi  13 and name h2'  and segi DNA2) !   681
30.10 0.20 0.20 59.30 0.20 0.20 86.60 0.20 0.20 126.00 0.20 0.20 
assi (resi  13 and name h4'  and segi DNA2)
     (resi  13 and name h2'' and segi DNA2) !   680
25.20 0.20 0.20 51.90 0.20 0.20 71.00 0.20 0.20 115.00 0.20 0.20 

assi (resi  13 and name h1'  and segi DNA2)
     (resi  13 and name h3'  and segi DNA2) !   293
29.60 0.20 0.20 51.00 0.20 0.20 73.60 0.20 0.20 114.00 0.20 0.20 

!#####################################################################
assi (resi  14 and name h6   and segi DNA2)
     (resi  13 and name h2'' and segi DNA2) !   444
112.00 0.20 0.20 170.00 0.20 0.20 204.00 0.20 0.20 211.00 0.20 0.20 

assi (resi  14 and name h6   and segi DNA2)
     (resi  13 and name h3'  and segi DNA2) !   204
12.80 0.20 0.20 19.70 0.20 0.20 27.50 0.20 0.20 41.30 0.20 0.20 

assi (resi  13 and name h4'  and segi DNA2)
     (resi  14 and name h5#  and segi DNA2) !   654
 2.81 0.20 0.20  9.91 0.20 0.20  9.39 0.20 0.20 16.10 0.20 0.20 

assi (resi  13 and name h3'  and segi DNA2)
     (resi  14 and name h5#  and segi DNA2) !   646
16.10 0.20 0.20 52.20 0.20 0.20 63.40 0.20 0.20 82.90 0.20 0.20 

assi (resi  14 and name h6   and segi DNA2)
     (resi  13 and name h2'  and segi DNA2) !   445
44.20 0.20 0.20 90.60 0.20 0.20 118.00 0.20 0.20 149.00 0.20 0.20 

assi (resi  14 and name h5#  and segi DNA2)
     (resi  13 and name h2'  and segi DNA2) !   701
77.80 0.20 0.25 129.00 0.20 0.25 183.00 0.20 0.25 229.00 0.20 0.25 
assi (resi  14 and name h5#  and segi DNA2)
     (resi  13 and name h2'' and segi DNA2) !   702
85.00 0.20 0.20 134.00 0.20 0.20 185.00 0.20 0.20 217.00 0.20 0.20 

assi (resi  13 and name h4'  and segi DNA2)
     (resi  14 and name h6   and segi DNA2) !   124
 2.69 0.20 0.20  3.95 0.20 0.20  3.08 0.20 0.20  7.11 0.20 0.20 

assi (resi  13 and name h8   and segi DNA2)
     (resi  14 and name h5#  and segi DNA2) !   418
60.10 0.20 0.20 104.00 0.20 0.20 143.00 0.20 0.20 183.00 0.20 0.20 

assi (resi  14 and name h6   and segi DNA2)
     (resi  13 and name h1'  and segi DNA2) !   160
35.90 0.15 0.15 60.40 0.15 0.15 79.90 0.15 0.15 104.00 0.15 0.15 

assi (resi  14 and name h6   and segi DNA2)
     (resi  13 and name h8   and segi DNA2) !   353
18.70 0.20 0.20 20.40 0.20 0.20 34.20 0.20 0.20 33.00 0.20 0.15 

assi (resi  14 and name h5#  and segi DNA2)
     (resi  13 and name h1'  and segi DNA2) !   611
12.20 0.20 0.20 29.10 0.20 0.20 54.90 0.20 0.20 65.70 0.20 0.20 

assi (resi  13 and name h1'  and segi DNA2)
     (resi  13 and name h2'' and segi DNA2) !   545
497.00 0.20 0.20 759.00 0.20 0.20 932.00 0.20 0.20 1050.00 0.20 0.20 
assi (resi  13 and name h1'  and segi DNA2)
     (resi  13 and name h2'  and segi DNA2) !   544
266.00 0.20 0.20 457.00 0.20 0.20 652.00 0.20 0.20 794.00 0.20 0.20 

assi (resi  13 and name h1'  and segi DNA2)
     (resi  13 and name h4'  and segi DNA2) !   393
83.30 0.20 0.20 187.00 0.20 0.20 258.00 0.20 0.20 298.00 0.20 0.20 

!#####################################################################
assi (resi  14 and name h1'  and segi DNA2)
     (resi  14 and name h2'  and segi DNA2) !   521
97.20 0.20 0.20 168.00 0.20 0.20 258.00 0.20 0.20 322.00 0.20 0.20 
assi (resi  14 and name h1'  and segi DNA2)
     (resi  14 and name h2'' and segi DNA2) !   523
324.00 0.20 0.20 491.00 0.20 0.20 603.00 0.20 0.20 677.00 0.20 0.20 

assi (resi  14 and name h6   and segi DNA2)
     (resi  14 and name h1'  and segi DNA2) !   174
18.10 0.15 0.15 50.70 0.15 0.15 69.50 0.15 0.15 88.40 0.15 0.15 

assi (resi  14 and name h1'  and segi DNA2)
     (resi  14 and name h3'  and segi DNA2) !   277
28.00 0.20 0.20 54.00 0.20 0.20 81.80 0.20 0.20 105.00 0.20 0.20 

assi (resi  14 and name h6   and segi DNA2)
     (resi  14 and name h4'  and segi DNA2) !   345
17.60 0.20 0.20 27.50 0.20 0.20 49.00 0.20 0.20 66.80 0.20 0.20 

assi (resi  14 and name h2'  and segi DNA2)
     (resi  14 and name h5#  and segi DNA2) !   688
32.10 0.20 0.20 60.60 0.20 0.20 87.10 0.20 0.20 120.00 0.20 0.20 
assi (resi  14 and name h2'' and segi DNA2)
     (resi  14 and name h5#  and segi DNA2) !   689
 2.62 0.20 0.20 15.70 0.20 0.20 21.70 0.20 0.20 37.70 0.20 0.20 

assi (resi  14 and name h6   and segi DNA2)
     (resi  14 and name h3'  and segi DNA2) !   203
27.40 0.20 0.20 59.90 0.20 0.20 90.30 0.20 0.20 118.00 0.20 0.20 

assi (resi  14 and name h1'  and segi DNA2)
     (resi  14 and name h4'  and segi DNA2) !   312
72.30 0.20 0.20 126.00 0.20 0.20 172.00 0.20 0.20 208.00 0.20 0.20 

assi (resi  14 and name h3'  and segi DNA2)
     (resi  14 and name h5#  and segi DNA2) !   652
 3.75 0.20 0.20 12.00 0.20 0.20 17.60 0.20 0.20 26.10 0.20 0.20 

assi (resi  14 and name h6   and segi DNA2)
     (resi  14 and name h2'  and segi DNA2) !   455
380.00 0.20 0.20 539.00 0.20 0.20 593.00 0.20 0.20 616.00 0.20 0.20 
assi (resi  14 and name h6   and segi DNA2)
     (resi  14 and name h2'' and segi DNA2) !   454
74.60 0.20 0.20 164.00 0.20 0.20 229.00 0.20 0.20 298.00 0.20 0.20 

assi (resi  14 and name h5#  and segi DNA2)
     (resi  14 and name h1'  and segi DNA2) !   615
 6.17 0.20 0.20  2.14 0.20 0.20  5.23 0.20 0.20 11.80 0.20 0.20 

!#####################################################################
assi (resi  15 and name h8   and segi DNA2)
     (resi  14 and name h2'  and segi DNA2) !   422
22.10 0.20 0.20 40.00 0.20 0.20 45.00 0.20 0.20 48.10 0.20 0.20 
assi (resi  15 and name h8   and segi DNA2)
     (resi  14 and name h2'' and segi DNA2) !   421
43.50 0.20 0.20 69.00 0.20 0.20 79.00 0.20 0.20 101.00 0.20 0.20 

assi (resi  15 and name h8   and segi DNA2)
     (resi  14 and name h6   and segi DNA2) !   138
 1.43 0.20 0.20  4.69 0.20 0.20 12.30 0.20 0.20 10.40 0.20 0.20 

assi (resi  14 and name h4'  and segi DNA2)
     (resi  15 and name h8   and segi DNA2) !   128
 8.86 0.20 0.20  5.80 0.20 0.20 20.20 0.20 0.20 21.80 0.20 0.20 

assi (resi  15 and name h8   and segi DNA2)
     (resi  14 and name h1'  and segi DNA2) !   184
10.40 0.15 0.15 30.60 0.15 0.15 40.90 0.15 0.15 46.20 0.15 0.15 

assi (resi  15 and name h8   and segi DNA2)
     (resi  14 and name h3'  and segi DNA2) !   230
 1.00 1.00 1.00  9.05 1.00 1.00 10.50 1.00 1.00 15.30 1.00 1.00 

!#####################################################################
assi (resi  15 and name h1'  and segi DNA2)
     (resi  15 and name h2'' and segi DNA2) !   545*
497.00 0.20 0.20 759.00 0.20 0.20 932.00 0.20 0.20 1050.00 0.20 0.20
assi (resi  15 and name h1'  and segi DNA2)
     (resi  15 and name h2'  and segi DNA2) !   544*
266.00 0.20 0.20 457.00 0.20 0.20 652.00 0.20 0.20 794.00 0.20 0.20

assi (resi  15 and name h1'  and segi DNA2)
     (resi  15 and name h4'  and segi DNA2) !   393*
83.30 0.20 0.20 187.00 0.20 0.20 258.00 0.20 0.20 298.00 0.20 0.20

assi (resi  15 and name h8   and segi DNA2)
     (resi  15 and name h2'  and segi DNA2) !   434
238.00 0.20 0.20 346.00 0.20 0.20 408.00 0.20 0.20 428.00 0.20 0.20 
assi (resi  15 and name h8   and segi DNA2)
     (resi  15 and name h2'' and segi DNA2) !   435
63.30 0.20 0.20 139.00 0.20 0.20 196.00 0.20 0.20 248.00 0.20 0.20 

assi (resi  15 and name h8   and segi DNA2)
     (resi  15 and name h3'  and segi DNA2) !   231
19.50 0.20 0.20 40.30 0.20 0.20 65.30 0.20 0.20 88.40 0.20 0.20 

assi (resi  15 and name h2   and segi DNA2)
     (resi  15 and name h1'  and segi DNA2) !   157
12.00 0.20 0.20 19.80 0.20 0.20 21.40 0.20 0.20 24.90 0.20 0.20 

assi (resi  15 and name h8   and segi DNA2)
     (resi  15 and name h1'  and segi DNA2) !   171
23.00 0.15 0.15 45.10 0.15 0.15 65.90 0.15 0.15 81.40 0.15 0.15 

assi (resi  15 and name h4'  and segi DNA2)
     (resi  15 and name h2'  and segi DNA2) !   682
25.40 0.20 0.20 52.80 0.20 0.20 84.50 0.20 0.20 111.00 0.20 0.20 
assi (resi  15 and name h4'  and segi DNA2)
     (resi  15 and name h2'' and segi DNA2) !   683
17.20 0.20 0.20 41.20 0.20 0.20 57.60 0.20 0.20 91.50 0.20 0.20 

assi (resi  15 and name h1'  and segi DNA2)
     (resi  15 and name h3'  and segi DNA2) !   294
17.40 0.20 0.20 43.70 0.20 0.20 53.30 0.20 0.20 110.00 0.20 0.20 

assi (resi  15 and name h8   and segi DNA2)
     (resi  15 and name h4'  and segi DNA2) !   331
 4.86 0.20 0.20  2.24 0.20 0.20 13.00 0.20 0.20 17.10 0.20 0.20 

!#####################################################################
assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h1'  and segi DNA2) !   167
24.00 0.15 0.15 44.60 0.15 0.15 68.00 0.15 0.15 91.20 0.15 0.15 

assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h3'  and segi DNA2) !   211
 3.47 0.20 0.20 18.70 0.20 0.20 27.00 0.20 0.20 34.70 0.20 0.20 

assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h2'  and segi DNA2) !   439
48.60 0.20 0.20 83.10 0.20 0.20 113.00 0.20 0.20 136.00 0.20 0.20 
assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h2'' and segi DNA2) !   438
75.80 0.20 0.20 140.00 0.20 0.20 161.00 0.20 0.20 176.00 0.20 0.20 

assi (resi  16 and name h8   and segi DNA2)
     (resi  15 and name h8   and segi DNA2) !   359
15.60 0.20 0.20 21.00 0.20 0.20 32.20 0.20 0.20 40.60 0.20 0.20 

!#####################################################################
assi (resi  16 and name h8   and segi DNA2)
    ((resi  16 and name h2'  and segi DNA2)
  or (resi  16 and name h2'' and segi DNA2))!   606
312.00 0.20 0.20 502.00 0.20 0.20 646.00 0.20 0.20 755.00 0.20 0.20 

assi (resi  16 and name h1'  and segi DNA2)
     (resi  16 and name h4'  and segi DNA2) !   280
77.50 0.20 0.20 128.00 0.20 0.20 167.00 0.20 0.20 190.00 0.20 0.20 

assi (resi  16 and name h1'  and segi DNA2)
    ((resi  16 and name h2'  and segi DNA2)
  or (resi  16 and name h2'' and segi DNA2))!   630
262.00 0.20 0.20 411.00 0.20 0.20 528.00 0.20 0.20 602.00 0.20 0.20 

assi (resi  16 and name h1'  and segi DNA2)
     (resi  16 and name h3'  and segi DNA2) !   326
46.20 0.20 0.20 86.60 0.20 0.20 114.00 0.20 0.20 163.00 0.20 0.20 

assi (resi  16 and name h8   and segi DNA2)
     (resi  16 and name h3'  and segi DNA2) !   212
18.70 0.20 0.20 41.10 0.20 0.20 66.00 0.20 0.20 86.60 0.20 0.20 

assi (resi  16 and name h8   and segi DNA2)
     (resi  16 and name h1'  and segi DNA2) !   189
15.80 0.15 0.15 37.50 0.15 0.15 56.90 0.15 0.15 72.60 0.15 0.15 

assi (resi  16 and name h8   and segi DNA2)
     (resi  16 and name h4'  and segi DNA2) !   339
 2.81 0.20 0.20  8.55 0.20 0.20 12.20 0.20 0.20 16.00 0.20 0.20 

!#####################################################################
assi((resi  16 and name h2'  and segi DNA2)
  or (resi  16 and name h2'' and segi DNA2))
     (resi  17 and name h6   and segi DNA2) !   546
89.30 0.20 0.20 147.00 0.20 0.20 199.00 0.20 0.20 217.00 0.20 0.20 

assi (resi  16 and name h8   and segi DNA2)
     (resi  17 and name h5   and segi DNA2) !   188
12.40 0.20 0.20 25.70 0.20 0.20 35.70 0.20 0.20 43.80 0.20 0.20 

assi (resi  17 and name h6   and segi DNA2)
     (resi  16 and name h8   and segi DNA2) !   350
 3.81 0.20 0.20 12.60 0.20 0.20 18.40 0.20 0.20 23.10 0.20 0.20 

assi (resi  17 and name h5   and segi DNA2)
     (resi  16 and name h3'  and segi DNA2) !   266
 5.70 0.20 0.20  5.70 0.20 0.20  6.31 0.20 0.20 17.40 0.20 0.20 

assi (resi  17 and name h6   and segi DNA2)
     (resi  16 and name h3'  and segi DNA2) !   201
 8.66 0.35 0.25 15.00 0.35 0.25 26.90 0.35 0.25 31.10 0.35 0.30 

assi (resi  17 and name h5   and segi DNA2)
     (resi  16 and name h1'  and segi DNA2) !   255
13.40 0.25 0.20 20.80 0.25 0.20 38.20 0.25 0.20 37.90 0.25 0.20 

assi((resi  16 and name h2'  and segi DNA2)
  or (resi  16 and name h2'' and segi DNA2))
     (resi  17 and name h5   and segi DNA2) !   621
55.70 0.25 0.20 110.00 0.25 0.20 151.00 0.25 0.20 198.00 0.25 0.20 

assi (resi  17 and name h6   and segi DNA2)
     (resi  16 and name h1'  and segi DNA2) !   173
18.00 0.15 0.15 35.70 0.15 0.15 47.60 0.15 0.15 55.60 0.15 0.15 

!#####################################################################
assi (resi  17 and name h6   and segi DNA2)
     (resi  17 and name h3'  and segi DNA2) !   200
14.10 0.25 0.20 28.30 0.25 0.20 47.80 0.25 0.20 58.60 0.25 0.20 

assi (resi  17 and name h1'  and segi DNA2)
     (resi  17 and name h2'  and segi DNA2) !   648
62.60 0.20 0.20 97.30 0.20 0.20 161.00 0.20 0.20 185.00 0.20 0.20 

assi (resi  17 and name h6   and segi DNA2)
     (resi  17 and name h2'  and segi DNA2) !   462
313.00 0.20 0.20 447.00 0.20 0.20 481.00 0.20 0.20 478.00 0.20 0.20 
assi (resi  17 and name h6   and segi DNA2)
     (resi  17 and name h2'' and segi DNA2) !   452
63.60 0.20 0.20 138.00 0.20 0.20 177.00 0.20 0.20 223.00 0.20 0.20 

assi (resi  17 and name h4'  and segi DNA2)
     (resi  17 and name h6   and segi DNA2) !   115
13.50 0.20 0.20 29.70 0.20 0.20 46.60 0.20 0.20 58.00 0.20 0.20 

assi (resi  17 and name h3'  and segi DNA2)
     (resi  17 and name h2'  and segi DNA2) !   651
185.00 0.20 0.20 276.00 0.20 0.20 336.00 0.20 0.20 363.00 0.20 0.20 

assi (resi  17 and name h6   and segi DNA2)
     (resi  17 and name h1'  and segi DNA2) !   202
19.20 0.15 0.15 33.70 0.15 0.15 42.40 0.15 0.15 66.00 0.15 0.15 

assi (resi  17 and name h5   and segi DNA2)
     (resi  17 and name h2'  and segi DNA2) !   503
13.60 0.20 0.20 31.90 0.20 0.20 46.30 0.20 0.20 68.20 0.20 0.20 
assi (resi  17 and name h5   and segi DNA2)
     (resi  17 and name h2'' and segi DNA2) !   504
 5.29 0.20 0.20  7.28 0.20 0.20 12.50 0.20 0.20 21.50 0.20 0.20 

!#####################################################################
assi (resi  18 and name h8   and segi DNA2)
     (resi  17 and name h2'' and segi DNA2) !   469
14.40 0.20 0.20 29.20 0.20 0.20 36.90 0.20 0.20 44.20 0.20 0.20 

!#####################################################################
assi (resi   1 and name h7   and segi DRG1)
     (resi  17 and name h2'' and segi DNA2) !   463
55.60 0.20 0.20 87.80 0.20 0.20 98.30 0.20 0.20 125.00 0.20 0.20 

assi (resi   1 and name h8   and segi DRG1)
     (resi  17 and name h1'  and segi DNA2) !   710
 5.49 0.20 0.20  5.21 0.20 0.20  1.81 0.20 0.20  9.41 0.20 0.20 

assi (resi  17 and name h3'  and segi DNA2)
    ((resi   1 and name h5   and segi DRG1)
  or (resi   1 and name h6   and segi DRG1))!    99
12.80 0.20 0.20 23.60 0.20 0.20 26.40 0.20 0.20 38.60 0.20 0.20 

assi((resi   1 and name h5   and segi DRG1)
  or (resi   1 and name h6   and segi DRG1))
     (resi  17 and name h1'  and segi DNA2) !   214
28.80 0.20 0.20 57.10 0.20 0.20 71.90 0.20 0.20 97.30 0.20 0.20 

assi (resi   1 and name h7   and segi DRG1)
     (resi  17 and name h1'  and segi DNA2) !   709
11.30 0.20 0.20 17.30 0.20 0.20 29.90 0.20 0.20 41.50 0.20 0.20 

assi (resi  17 and name h5   and segi DNA2)
     (resi   1 and name h8   and segi DRG1) !    42
 5.11 0.20 0.20 12.70 0.20 0.20 12.50 0.20 0.20 16.70 0.20 0.20 

assi((resi   1 and name h5   and segi DRG1)
  or (resi   1 and name h6   and segi DRG1))
     (resi  17 and name h2'' and segi DNA2) !   468
41.70 0.20 0.20 68.00 0.20 0.20 93.20 0.20 0.20 106.00 0.20 0.20 

assi((resi   1 and name h5   and segi DRG1)
  or (resi   1 and name h6   and segi DRG1))
     (resi  17 and name h2'  and segi DNA2) !   467
 4.18 0.20 0.20 14.60 0.20 0.20 20.00 0.20 0.20 29.70 0.20 0.20 

assi (resi   1 and name h8   and segi DRG1)
     (resi  17 and name h2'' and segi DNA2) !   464
19.90 0.20 0.20 38.70 0.20 0.20 43.00 0.20 0.20 52.90 0.20 0.20 

assi (resi  17 and name h3'  and segi DNA2)
     (resi   1 and name h7   and segi DRG1) !   723
 4.97 0.20 0.20  6.26 0.20 0.20  9.80 0.20 0.20 14.90 0.20 0.20 

!#####################################################################
assi (resi  18 and name h8   and segi DNA2)
     (resi  18 and name h1'  and segi DNA2) !   220
 7.62 0.15 0.15 23.50 0.15 0.15 31.90 0.15 0.15 61.20 0.15 0.15 

assi (resi  18 and name h8   and segi DNA2)
     (resi  18 and name h3'  and segi DNA2) !   219
 8.26 0.20 0.20 19.70 0.20 0.20 36.30 0.20 0.20 54.00 0.20 0.20 

!#####################################################################
assi (resi  19 and name h8   and segi DNA2)
     (resi  18 and name h3'  and segi DNA2) !   225
 4.00 0.20 0.20  5.84 0.20 0.20 16.60 0.20 0.20 24.70 0.20 0.20 

assi((resi  18 and name h2'  and segi DNA2)
  or (resi  18 and name h2'' and segi DNA2))
     (resi  19 and name h8   and segi DNA2) !   577
106.00 0.20 0.20 170.00 0.20 0.20 212.00 0.20 0.20 249.00 0.20 0.20 

assi (resi  19 and name h8   and segi DNA2)
     (resi  18 and name h1'  and segi DNA2) !   227
16.80 0.15 0.15 31.90 0.15 0.15 45.40 0.15 0.15 53.30 0.15 0.15 

assi (resi  19 and name h8   and segi DNA2)
     (resi  18 and name h8   and segi DNA2) !   136
 1.00 1.00 1.00  3.67 1.00 1.00  9.61 1.00 1.00 16.50 1.00 1.00 

!#####################################################################
assi (resi  19 and name h1'  and segi DNA2)
     (resi  19 and name h2'  and segi DNA2) !   527
82.40 0.20 0.20 138.00 0.20 0.20 201.00 0.20 0.20 247.00 0.20 0.20 
assi (resi  19 and name h1'  and segi DNA2)
     (resi  19 and name h2'' and segi DNA2) !   528
180.00 0.20 0.20 273.00 0.20 0.20 330.00 0.20 0.20 359.00 0.20 0.20 

assi (resi  19 and name h2   and segi DNA2)
     (resi  19 and name h1'  and segi DNA2) !   193
 8.24 0.20 0.20 13.40 0.20 0.20 13.20 0.20 0.20 23.00 0.20 0.20 

assi (resi  19 and name h8   and segi DNA2)
     (resi  19 and name h1'  and segi DNA2) !   191
11.90 0.15 0.15 25.60 0.15 0.15 36.60 0.15 0.15 51.90 0.15 0.15 

assi (resi  19 and name h8   and segi DNA2)
     (resi  19 and name h2'  and segi DNA2) !   459
165.00 0.20 0.20 233.00 0.20 0.20 281.00 0.20 0.20 299.00 0.20 0.20 
assi (resi  19 and name h8   and segi DNA2)
     (resi  19 and name h2'' and segi DNA2) !   458
57.00 0.25 0.20 105.00 0.25 0.20 156.00 0.25 0.20 187.00 0.25 0.20 

assi (resi  19 and name h8   and segi DNA2)
     (resi  19 and name h3'  and segi DNA2) !   226
22.40 0.20 0.20 40.80 0.20 0.20 68.20 0.20 0.20 78.30 0.20 0.20 

assi (resi  19 and name h8   and segi DNA2)
     (resi  19 and name h4'  and segi DNA2) !   334
 4.93 0.20 0.20 11.10 0.20 0.20 20.40 0.20 0.20 24.50 0.20 0.20 

assi (resi  19 and name h1'  and segi DNA2)
     (resi  19 and name h4'  and segi DNA2) !   288
39.30 0.20 0.20 64.90 0.20 0.20 87.80 0.20 0.20 95.90 0.20 0.20 

assi (resi  19 and name h1'  and segi DNA2)
     (resi  19 and name h3'  and segi DNA2) !   287
23.90 0.20 0.20 35.40 0.20 0.20 50.10 0.20 0.20 75.80 0.20 0.20 

!#####################################################################
assi (resi  20 and name h5#  and segi DNA2)
     (resi  19 and name h2'  and segi DNA2) !   699
33.60 0.20 0.25 69.70 0.20 0.25 92.50 0.20 0.25 117.00 0.20 0.25 
assi (resi  20 and name h5#  and segi DNA2)
     (resi  19 and name h2'' and segi DNA2) !   700
29.70 0.20 0.25 55.00 0.20 0.25 69.60 0.20 0.25 107.00 0.20 0.25 

assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h2'  and segi DNA2) !   448
45.50 0.20 0.20 80.60 0.20 0.20 98.60 0.20 0.20 114.00 0.20 0.20 
assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h2'' and segi DNA2) !   447
92.00 0.20 0.20 147.00 0.20 0.20 180.00 0.20 0.20 198.00 0.20 0.20 

assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h4'  and segi DNA2) !   344
10.20 0.20 0.20 11.30 0.20 0.20 16.50 0.20 0.20 25.80 0.20 0.20 

assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h8   and segi DNA2) !   354
14.30 0.20 0.20 12.90 0.20 0.20 21.20 0.20 0.20 26.30 0.20 0.20 

assi (resi  19 and name h8   and segi DNA2)
     (resi  20 and name h5#  and segi DNA2) !   416
43.50 0.20 0.20 81.20 0.20 0.20 104.00 0.20 0.20 138.00 0.20 0.20 

assi (resi  19 and name h3'  and segi DNA2)
     (resi  20 and name h5#  and segi DNA2) !   645
22.00 0.20 0.20 38.50 0.20 0.20 65.40 0.20 0.20 77.10 0.20 0.20 

assi (resi  20 and name h5#  and segi DNA2)
     (resi  19 and name h1'  and segi DNA2) !   610
 7.91 0.20 0.20 10.70 0.20 0.20 17.20 0.20 0.20 22.40 0.20 0.20 

assi (resi  20 and name h6   and segi DNA2)
     (resi  19 and name h1'  and segi DNA2) !   178
23.80 0.15 0.15 35.20 0.15 0.15 45.90 0.15 0.15 63.30 0.15 0.15 

!#####################################################################
assi (resi  20 and name h3'  and segi DNA2)
     (resi  20 and name h5#  and segi DNA2) !   657
 5.14 0.20 0.20  5.35 0.20 0.20 10.50 0.20 0.20 12.50 0.20 0.20 

assi (resi  20 and name h6   and segi DNA2)
     (resi  20 and name h2'  and segi DNA2) !   465
301.00 0.20 0.20 442.00 0.20 0.20 507.00 0.20 0.20 516.00 0.20 0.20 
assi (resi  20 and name h6   and segi DNA2)
     (resi  20 and name h2'' and segi DNA2) !   450
50.80 0.20 0.20 100.00 0.20 0.20 161.00 0.20 0.20 193.00 0.20 0.20 

assi (resi  20 and name h3'  and segi DNA2)
     (resi  20 and name h2'  and segi DNA2) !   650
208.00 0.20 0.20 300.00 0.20 0.20 377.00 0.20 0.20 385.00 0.20 0.20 

assi (resi  20 and name h4'  and segi DNA2)
     (resi  20 and name h6   and segi DNA2) !   116
17.50 0.20 0.20 29.00 0.20 0.20 47.90 0.20 0.20 65.70 0.20 0.20 

assi (resi  20 and name h2'  and segi DNA2)
     (resi  20 and name h5#  and segi DNA2) !   687
 9.81 0.20 0.20 29.50 0.20 0.20 49.40 0.20 0.20 61.80 0.20 0.20 
assi (resi  20 and name h2'' and segi DNA2)
     (resi  20 and name h5#  and segi DNA2) !   686
 0.23 0.20 0.20  5.98 0.20 0.20 11.30 0.20 0.20 14.70 0.20 0.20 

assi (resi  20 and name h6   and segi DNA2)
     (resi  20 and name h1'  and segi DNA2) !   176
20.40 0.20 0.20 35.60 0.20 0.20 55.70 0.20 0.20 64.50 0.20 0.20 

assi (resi  20 and name h1'  and segi DNA2)
     (resi  20 and name h2'  and segi DNA2) !   519
54.60 0.20 0.20 106.00 0.20 0.20 165.00 0.20 0.20 211.00 0.20 0.20 
assi (resi  20 and name h1'  and segi DNA2)
     (resi  20 and name h2'' and segi DNA2) !   520
211.00 0.20 0.20 352.00 0.20 0.20 443.00 0.20 0.20 526.00 0.20 0.20 

assi (resi  20 and name h1'  and segi DNA2)
     (resi  20 and name h4'  and segi DNA2) !   316
89.60 0.20 0.20 147.00 0.20 0.20 200.00 0.20 0.20 253.00 0.20 0.20 

assi (resi  20 and name h1'  and segi DNA2)
     (resi  20 and name h5#  and segi DNA2) !   500
 4.07 0.20 0.20  4.61 0.20 0.20  5.21 0.20 0.20 16.70 0.20 0.20 

assi (resi  20 and name h6   and segi DNA2)
     (resi  20 and name h3'  and segi DNA2) !   238
25.00 0.25 0.25 38.50 0.25 0.25 70.90 0.25 0.25 80.40 0.25 0.25 

assi (resi  20 and name h1'  and segi DNA2)
     (resi  20 and name h3'  and segi DNA2) !   274
18.80 0.20 0.20 32.50 0.20 0.20 51.80 0.20 0.20 68.40 0.20 0.20

!#####################################################################
assi (resi  20 and name h6   and segi DNA2)
     (resi  21 and name h8   and segi DNA2) !   352
19.40 0.20 0.20 25.50 0.20 0.20 27.00 0.20 0.20 36.10 0.20 0.20 

assi (resi  21 and name h8   and segi DNA2)
     (resi  20 and name h3'  and segi DNA2) !   243
 2.74 0.25 0.15  5.00 0.25 0.15 10.70 0.25 0.15 15.30 0.25 0.15 

assi (resi  20 and name h1'  and segi DNA2)
     (resi  21 and name h8   and segi DNA2) !    54
85.00 0.20 0.20 136.00 0.20 0.20 199.00 0.20 0.20 244.00 0.20 0.20 

assi (resi  21 and name h8   and segi DNA2)
     (resi  20 and name h2'  and segi DNA2) !   429
36.10 0.20 0.20 66.60 0.20 0.20 82.60 0.20 0.20 111.00 0.20 0.20 
assi (resi  21 and name h8   and segi DNA2)
     (resi  20 and name h2'' and segi DNA2) !   470
39.00 0.20 0.20 67.60 0.20 0.20 88.00 0.20 0.20 104.00 0.20 0.20 

!#####################################################################
assi (resi  21 and name h1'  and segi DNA2)
     (resi  21 and name h4'  and segi DNA2) !   272
41.30 0.20 0.20 77.60 0.20 0.20 110.00 0.20 0.20 138.00 0.20 0.20 

assi (resi  21 and name h1'  and segi DNA2)
     (resi  21 and name h8   and segi DNA2) !    53
85.00 0.20 0.20 136.00 0.20 0.20 199.00 0.20 0.20 244.00 0.20 0.20 

assi (resi  21 and name h1'  and segi DNA2)
     (resi  21 and name h2'  and segi DNA2) !   526
105.00 0.20 0.20 199.00 0.20 0.20 279.00 0.20 0.20 334.00 0.20 0.20 

assi (resi  21 and name h1'  and segi DNA2)
     (resi  21 and name h3'  and segi DNA2) !   273
25.70 0.20 0.20 48.90 0.20 0.20 77.00 0.20 0.20 104.00 0.20 0.20 

assi (resi  21 and name h4'  and segi DNA2)
     (resi  21 and name h2'  and segi DNA2) !   674
29.60 0.20 0.20 49.10 0.20 0.20 70.60 0.20 0.20 101.00 0.20 0.20 
assi (resi  21 and name h4'  and segi DNA2)
     (resi  21 and name h2'' and segi DNA2) !   675
21.00 0.20 0.20 37.00 0.20 0.20 57.90 0.20 0.20 88.30 0.20 0.20 

assi (resi  21 and name h8   and segi DNA2)
     (resi  21 and name h3'  and segi DNA2) !   221
20.90 0.20 0.20 47.00 0.20 0.20 71.10 0.20 0.20 105.00 0.20 0.20 

assi (resi  21 and name h8   and segi DNA2)
     (resi  21 and name h4'  and segi DNA2) !   336
 5.25 0.20 0.20  9.22 0.20 0.20 14.50 0.20 0.20 21.80 0.20 0.20 

assi (resi  21 and name h8   and segi DNA2)
     (resi  21 and name h2'  and segi DNA2) !   481
281.00 0.20 0.20 418.00 0.20 0.20 503.00 0.20 0.20 566.00 0.20 0.20 
assi (resi  21 and name h8   and segi DNA2)
     (resi  21 and name h2'' and segi DNA2) !   482
117.00 0.20 0.20 208.00 0.20 0.20 278.00 0.20 0.20 346.00 0.20 0.20 

!#####################################################################
assi (resi  21 and name h1'  and segi DNA2)
     (resi  22 and name h8   and segi DNA2) !    55
85.00 0.20 0.20 136.00 0.20 0.20 199.00 0.20 0.20 244.00 0.20 0.20 

!#####################################################################
assi (resi  22 and name h1'  and segi DNA2)
     (resi  22 and name h4'  and segi DNA2) !   297
66.60 0.20 0.20 106.00 0.20 0.20 149.00 0.20 0.20 188.00 0.20 0.20 

assi (resi  22 and name h8   and segi DNA2)
     (resi  22 and name h1'  and segi DNA2) !   149
12.60 0.20 0.20 36.70 0.20 0.20 44.70 0.20 0.20 66.20 0.20 0.20 

assi (resi  22 and name h8   and segi DNA2)
     (resi  22 and name h4'  and segi DNA2) !   337
 6.96 0.20 0.20 20.80 0.20 0.20 39.80 0.20 0.20 52.00 0.20 0.20 

assi (resi  22 and name h1'  and segi DNA2)
     (resi  22 and name h2'  and segi DNA2) !   492
93.60 0.20 0.20 163.00 0.20 0.20 254.00 0.20 0.20 327.00 0.20 0.20 

assi (resi  22 and name h8   and segi DNA2)
     (resi  22 and name h2'  and segi DNA2) !   480
209.00 0.20 0.20 329.00 0.20 0.20 422.00 0.20 0.20 483.00 0.20 0.20 

assi (resi  22 and name h1'  and segi DNA2)
     (resi  22 and name h2'' and segi DNA2) !   491
241.00 0.20 0.20 403.00 0.20 0.20 520.00 0.20 0.20 596.00 0.20 0.20 

assi (resi  22 and name h3'  and segi DNA2)
     (resi  22 and name h2'  and segi DNA2) !   662
72.90 0.20 0.20 141.00 0.20 0.20 194.00 0.20 0.20 246.00 0.20 0.20 

assi (resi  22 and name h1'  and segi DNA2)
     (resi  22 and name h3'  and segi DNA2) !   268
13.00 0.20 0.20 30.10 0.20 0.20 42.10 0.20 0.20 70.00 0.20 0.20 

assi (resi  22 and name h8   and segi DNA2)
     (resi  22 and name h3'  and segi DNA2) !   218
16.20 0.20 0.20 43.30 0.20 0.20 61.60 0.20 0.20 87.40 0.20 0.20 

assi (resi  22 and name h3'  and segi DNA2)
     (resi  22 and name h2'' and segi DNA2) !   663
176.00 0.20 0.20 271.00 0.20 0.20 361.00 0.20 0.20 407.00 0.20 0.20 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C   1          1H5'        C   1   7.061 -27.628   5.541
    2   2H5*    C   1          2H5'        C   1   7.228 -28.875   4.292
    3    H4*    C   1           H4'        C   1   6.943 -27.203   2.518
    4    H3*    C   1           H3'        C   1   6.905 -25.295   4.815
    5    H1*    C   1           H1'        C   1   4.537 -26.245   1.729
    6   1H4     C   1          1H4         C   1  -1.259 -24.850   3.873
    7   2H4     C   1          2H4         C   1  -0.702 -24.666   5.528
    8    H5     C   1           H5         C   1   1.695 -25.136   6.170
    9    H6     C   1           H6         C   1   3.865 -25.650   5.272
   10    H5T    C   1           H5T        C   1   8.719 -26.582   4.039
   11   1H2*    C   1          1H2'        C   1   5.101 -24.210   3.797
   12   2H2*    C   1          2H2'        C   1   5.831 -24.422   2.147
   13   1H5*    C   2          1H5'        C   2   6.615 -25.336  -0.506
   14   2H5*    C   2          2H5'        C   2   7.717 -24.110  -1.161
   15    H4*    C   2           H4'        C   2   5.382 -23.789  -1.832
   16    H3*    C   2           H3'        C   2   6.824 -21.591  -0.422
   17    H1*    C   2           H1'        C   2   3.232 -22.410  -0.904
   18   1H4     C   2          1H4         C   2  -0.154 -21.963   4.469
   19   2H4     C   2          2H4         C   2   1.249 -21.717   5.506
   20    H5     C   2           H5         C   2   3.746 -21.847   4.362
   21    H6     C   2           H6         C   2   4.743 -22.050   2.602
   22   1H2*    C   2          1H2'        C   2   5.251 -21.066   0.873
   23   2H2*    C   2          2H2'        C   2   4.408 -20.485  -0.549
   24   1H5*    A   3          1H5'        A   3   3.518 -19.479  -1.869
   25   2H5*    A   3          2H5'        A   3   3.247 -21.083  -2.597
   26    H4*    A   3           H4'        A   3   1.736 -19.944  -4.282
   27    H3*    A   3           H3'        A   3   3.054 -17.618  -3.645
   28    H1*    A   3           H1'        A   3  -0.467 -18.395  -2.357
   29    H8     A   3           H8         A   3   2.402 -18.507   0.320
   30   1H6     A   3          1H6         A   3  -1.893 -19.350   4.658
   31   2H6     A   3          2H6         A   3  -0.217 -18.990   4.305
   32    H2     A   3           H2         A   3  -3.975 -19.204   0.655
   33   1H2*    A   3          1H2'        A   3   2.102 -17.220  -1.517
   34   2H2*    A   3          2H2'        A   3   0.656 -16.668  -2.346
   35   1H5*    T   4          1H5'        T   4  -2.814 -17.837  -4.389
   36   2H5*    T   4          2H5'        T   4  -2.732 -16.415  -5.446
   37    H4*    T   4           H4'        T   4  -4.297 -16.089  -3.547
   38    H3*    T   4           H3'        T   4  -1.984 -14.247  -3.651
   39   1H2*    T   4          1H2'        T   4  -2.326 -13.714  -1.558
   40   2H2*    T   4          2H2'        T   4  -4.113 -13.583  -1.696
   41    H1*    T   4           H1'        T   4  -4.541 -15.647  -0.999
   42    H3     T   4           H3         T   4  -3.116 -16.279   3.177
   43   1H5M    T   4          H51         T   4   1.308 -16.068   0.332
   44   2H5M    T   4          H52         T   4   1.364 -15.537   2.029
   45   3H5M    T   4          H53         T   4   1.075 -14.356   0.729
   46    H6     T   4           H6         T   4  -0.954 -15.262  -0.929
   47   1H5*    C   5          1H5'        C   5  -6.497 -13.237  -2.959
   48   2H5*    C   5          2H5'        C   5  -6.848 -11.596  -3.549
   49    H4*    C   5           H4'        C   5  -7.790 -11.846  -1.257
   50    H3*    C   5           H3'        C   5  -5.385 -10.102  -1.621
   51    H1*    C   5           H1'        C   5  -6.956 -11.776   1.448
   52   1H4     C   5          1H4         C   5  -1.519 -13.180   4.452
   53   2H4     C   5          2H4         C   5  -0.529 -12.995   3.004
   54    H5     C   5           H5         C   5  -1.562 -12.055   0.902
   55    H6     C   5           H6         C   5  -3.819 -11.530  -0.129
   56   1H2*    C   5          1H2'        C   5  -5.063  -9.904   0.444
   57   2H2*    C   5          2H2'        C   5  -6.778  -9.782   0.929
   58   1H5*   +G   6          1H5'        G   6  -8.906 -11.014   0.491
   59   2H5*   +G   6          2H5'        G   6 -10.626 -10.622   0.339
   60    H4*   +G   6           H4'        G   6  -9.989 -10.679   2.661
   61    H3*   +G   6           H3'        G   6 -11.265  -8.430   1.422
   62    H1*   +G   6           H1'        G   6  -9.025  -8.305   4.428
   63    H8    +G   6           H8         G   6  -7.323  -6.674   1.411
   64    H1    +G   6           H1         G   6  -4.316  -6.176   7.057
   65   1H2    +G   6          1H2         G   6  -5.673  -7.133   8.597
   66   1H2*   +G   6          1H2'        G   6  -9.560  -6.863   1.950
   67   2H2*   +G   6          2H2'        G   6 -10.347  -7.016   3.573
   68   1H5*    C   7          1H5'        C   7 -14.927  -6.625   4.015
   69   2H5*    C   7          2H5'        C   7 -13.710  -5.611   3.242
   70    H4*    C   7           H4'        C   7 -13.239  -7.366   5.727
   71    H3*    C   7           H3'        C   7 -14.275  -4.721   5.338
   72    H1*    C   7           H1'        C   7 -10.950  -6.036   6.893
   73   1H4     C   7          1H4         C   7  -5.704  -3.042   4.646
   74   2H4     C   7          2H4         C   7  -6.391  -2.995   3.030
   75    H5     C   7           H5         C   7  -8.726  -3.789   2.574
   76    H6     C   7           H6         C   7 -10.660  -4.791   3.625
   77   1H2*    C   7          1H2'        C   7 -11.981  -3.900   5.071
   78   2H2*    C   7          2H2'        C   7 -11.942  -3.968   6.868
   79   1H5*    T   8          1H5'        T   8 -11.109  -6.691   9.979
   80   2H5*    T   8          2H5'        T   8 -12.479  -6.263  11.028
   81    H4*    T   8           H4'        T   8 -10.412  -5.163  11.896
   82    H3*    T   8           H3'        T   8 -12.639  -3.606  11.257
   83   1H2*    T   8          1H2'        T   8 -11.258  -2.187  10.084
   84   2H2*    T   8          2H2'        T   8 -10.488  -1.707  11.614
   85    H1*    T   8           H1'        T   8  -8.830  -3.106  11.597
   86    H3     T   8           H3         T   8  -6.277  -0.689   8.610
   87   1H5M    T   8          H51         T   8 -11.018  -1.012   6.504
   88   2H5M    T   8          H52         T   8 -10.299  -2.471   5.784
   89   3H5M    T   8          H53         T   8  -9.616  -0.850   5.415
   90    H6     T   8           H6         T   8 -10.533  -2.774   8.520
   91   1H5*    A   9          1H5'        A   9 -10.580  -0.381  13.361
   92   2H5*    A   9          2H5'        A   9  -9.382  -1.723  13.497
   93    H4*    A   9           H4'        A   9  -8.707  -0.467  15.752
   94    H3*    A   9           H3'        A   9 -11.210   0.550  15.495
   95    H1*    A   9           H1'        A   9  -8.123   2.391  14.154
   96    H8     A   9           H8         A   9 -10.515   0.924  11.335
   97   1H6     A   9          1H6         A   9  -6.245   2.407   7.137
   98   2H6     A   9          2H6         A   9  -7.820   1.707   7.413
   99    H2     A   9           H2         A   9  -4.487   3.154  11.203
  100   1H2*    A   9          1H2'        A   9 -10.802   1.545  13.350
  101   2H2*    A   9          2H2'        A   9 -10.255   2.885  14.339
  102   1H5*    C  10          1H5'        C  10  -8.179   3.025  17.033
  103   2H5*    C  10          2H5'        C  10  -8.311   4.490  18.030
  104    H4*    C  10           H4'        C  10  -6.862   4.705  15.942
  105    H3*    C  10           H3'        C  10  -9.148   6.483  16.524
  106    H1*    C  10           H1'        C  10  -6.801   5.527  13.662
  107   1H4     C  10          1H4         C  10  -9.081   4.341   8.013
  108   2H4     C  10          2H4         C  10 -10.707   3.962   8.571
  109    H5     C  10           H5         C  10 -11.248   4.097  11.172
  110    H6     C  10           H6         C  10 -10.159   4.788  13.276
  111   1H2*    C  10          1H2'        C  10  -9.573   6.308  14.196
  112   2H2*    C  10          2H2'        C  10  -8.072   7.324  13.924
  113   1H5*    C  11          1H5'        C  11  -3.740   8.228  13.611
  114   2H5*    C  11          2H5'        C  11  -4.278   9.207  14.990
  115    H4*    C  11           H4'        C  11  -4.778  10.519  12.961
  116    H3*    C  11           H3'        C  11  -7.092   9.368  14.323
  117    H1*    C  11           H1'        C  11  -6.324  10.420  10.599
  118   1H4     C  11          1H4         C  11 -10.695   7.062   7.692
  119   2H4     C  11          2H4         C  11 -11.575   6.717   9.178
  120    H5     C  11           H5         C  11 -10.827   7.602  11.337
  121    H6     C  11           H6         C  11  -8.957   8.822  12.468
  122    H3T    C  11           H3T        C  11  -7.037  11.248  15.337
  123   1H2*    C  11          1H2'        C  11  -8.289  10.780  12.597
  124   2H2*    C  11          2H2'        C  11  -6.737  11.679  12.437
  125   1H5*    G  12          1H5'        G  12  -8.291  10.217  -2.724
  126   2H5*    G  12          2H5'        G  12  -6.908   9.320  -3.397
  127    H4*    G  12           H4'        G  12  -6.345  10.431  -1.254
  128    H3*    G  12           H3'        G  12  -5.845   7.678  -1.782
  129    H1*    G  12           H1'        G  12  -6.587   9.423   1.439
  130    H8     G  12           H8         G  12  -9.862   7.410   0.708
  131    H1     G  12           H1         G  12  -8.393   8.466   6.849
  132   1H2     G  12          1H2         G  12  -6.429   9.688   6.891
  133   2H2     G  12          2H2         G  12  -5.506   9.861   5.388
  134    H5T    G  12           H5T        G  12  -9.039   8.230  -1.877
  135   1H2*    G  12          1H2'        G  12  -7.467   7.048  -0.162
  136   2H2*    G  12          2H2'        G  12  -6.012   7.156   0.898
  137   1H5*    G  13          1H5'        G  13  -4.191  11.849   2.684
  138   2H5*    G  13          2H5'        G  13  -2.719  11.530   1.767
  139    H4*    G  13           H4'        G  13  -2.437  11.039   4.325
  140    H3*    G  13           H3'        G  13  -1.524   9.256   2.330
  141    H1*    G  13           H1'        G  13  -2.641   8.705   5.732
  142    H8     G  13           H8         G  13  -5.024   7.147   3.155
  143    H1     G  13           H1         G  13  -6.527   5.489   9.129
  144   1H2     G  13          1H2         G  13  -5.109   6.589  10.554
  145   2H2     G  13          2H2         G  13  -3.876   7.692   9.953
  146   1H2*    G  13          1H2'        G  13  -2.900   7.580   3.162
  147   2H2*    G  13          2H2'        G  13  -1.707   7.542   4.499
  148   1H5*    T  14          1H5'        T  14   0.177   9.246   7.018
  149   2H5*    T  14          2H5'        T  14   1.913   8.939   6.810
  150    H4*    T  14           H4'        T  14   1.101   7.408   8.702
  151    H3*    T  14           H3'        T  14   2.308   6.455   6.394
  152   1H2*    T  14          1H2'        T  14   0.738   4.942   6.097
  153   2H2*    T  14          2H2'        T  14   1.335   4.201   7.676
  154    H1*    T  14           H1'        T  14  -0.177   5.097   8.950
  155    H3     T  14           H3         T  14  -4.244   3.127   8.229
  156   1H5M    T  14          H51         T  14  -3.062   5.542   3.700
  157   2H5M    T  14          H52         T  14  -4.055   4.073   3.619
  158   3H5M    T  14          H53         T  14  -2.265   3.996   3.456
  159    H6     T  14           H6         T  14  -1.128   5.392   5.401
  160   1H5*    A  15          1H5'        A  15   1.983   4.934  10.693
  161   2H5*    A  15          2H5'        A  15   3.326   4.025  11.417
  162    H4*    A  15           H4'        A  15   1.088   3.021  12.011
  163    H3*    A  15           H3'        A  15   3.170   1.489  10.667
  164    H1*    A  15           H1'        A  15  -0.501   1.092  10.995
  165    H8     A  15           H8         A  15   0.607   1.474   7.377
  166   1H6     A  15          1H6         A  15  -5.349  -0.096   6.152
  167   2H6     A  15          2H6         A  15  -3.804   0.200   5.372
  168    H2     A  15           H2         A  15  -4.692   0.086  10.549
  169   1H2*    A  15          1H2'        A  15   1.674   0.512   9.191
  170   2H2*    A  15          2H2'        A  15   0.830  -0.258  10.514
  171   1H5*    G  16          1H5'        G  16  -1.608  -0.450  14.123
  172   2H5*    G  16          2H5'        G  16  -0.279  -1.334  14.889
  173    H4*    G  16           H4'        G  16  -1.966  -2.906  14.186
  174    H3*    G  16           H3'        G  16   0.736  -3.120  13.327
  175    H1*    G  16           H1'        G  16  -2.229  -4.345  11.705
  176    H8     G  16           H8         G  16  -0.555  -2.024   9.159
  177    H1     G  16           H1         G  16  -6.397  -3.848   7.312
  178   1H2     G  16          1H2         G  16  -7.418  -4.934   8.979
  179   2H2     G  16          2H2         G  16  -6.649  -5.181  10.542
  180   1H2*    G  16          1H2'        G  16   0.164  -2.663  11.183
  181   2H2*    G  16          2H2'        G  16  -0.007  -4.452  11.154
  182   1H5*    C  17          1H5'        C  17  -1.986  -6.280  15.265
  183   2H5*    C  17          2H5'        C  17  -1.597  -7.905  15.863
  184    H4*    C  17           H4'        C  17  -3.234  -8.104  14.143
  185    H3*    C  17           H3'        C  17  -0.837  -9.441  14.069
  186    H1*    C  17           H1'        C  17  -3.208  -8.298  11.372
  187   1H4     C  17          1H4         C  17  -2.214  -4.950   6.133
  188   2H4     C  17          2H4         C  17  -0.513  -4.741   6.500
  189    H5     C  17           H5         C  17   0.537  -5.740   8.441
  190    H6     C  17           H6         C  17   0.095  -6.972  10.583
  191   1H2*    C  17          1H2'        C  17  -0.281  -8.233  12.196
  192   2H2*    C  17          2H2'        C  17  -1.098  -9.690  11.352
  193   1H5*    G  18          1H5'        G  18  -4.955 -11.587  13.776
  194   2H5*    G  18          2H5'        G  18  -4.495 -12.825  14.955
  195    H4*    G  18           H4'        G  18  -6.646 -13.209  13.817
  196    H3*    G  18           H3'        G  18  -4.867 -15.191  14.364
  197    H1*    G  18           H1'        G  18  -6.380 -14.850  10.628
  198    H8     G  18           H8         G  18  -2.496 -13.958  11.237
  199    H1     G  18           H1         G  18  -4.435 -13.489   5.200
  200   1H2     G  18          1H2         G  18  -6.641 -13.627   5.074
  201   2H2     G  18          2H2         G  18  -7.620 -14.220   6.432
  202   1H2*    G  18          1H2'        G  18  -3.964 -15.607  12.250
  203   2H2*    G  18          2H2'        G  18  -5.457 -16.506  11.954
  204   1H5*    A  19          1H5'        A  19  -9.531 -14.970  10.763
  205   2H5*    A  19          2H5'        A  19 -10.281 -16.333  11.623
  206    H4*    A  19           H4'        A  19 -10.170 -16.784   9.270
  207    H3*    A  19           H3'        A  19  -8.494 -18.471  11.091
  208    H1*    A  19           H1'        A  19  -8.177 -17.531   7.249
  209    H8     A  19           H8         A  19  -5.375 -18.212   9.834
  210   1H6     A  19          1H6         A  19  -1.624 -16.654   5.125
  211   2H6     A  19          2H6         A  19  -1.694 -17.253   6.772
  212    H2     A  19           H2         A  19  -5.887 -16.149   3.807
  213   1H2*    A  19          1H2'        A  19  -7.356 -19.380   9.455
  214   2H2*    A  19          2H2'        A  19  -8.758 -19.458   8.372
  215   1H5*    T  20          1H5'        T  20 -10.759 -17.601   6.859
  216   2H5*    T  20          2H5'        T  20 -12.164 -18.628   6.480
  217    H4*    T  20           H4'        T  20 -10.680 -18.531   4.553
  218    H3*    T  20           H3'        T  20 -11.253 -21.004   5.926
  219   1H2*    T  20          1H2'        T  20  -9.046 -21.814   5.656
  220   2H2*    T  20          2H2'        T  20  -9.569 -21.825   3.959
  221    H1*    T  20           H1'        T  20  -8.535 -19.794   3.449
  222    H3     T  20           H3         T  20  -4.068 -19.438   3.695
  223   1H5M    T  20          H51         T  20  -5.510 -22.155   7.948
  224   2H5M    T  20          H52         T  20  -5.665 -20.530   8.612
  225   3H5M    T  20          H53         T  20  -4.058 -21.123   8.114
  226    H6     T  20           H6         T  20  -7.470 -20.831   6.758
  227   1H5*    G  21          1H5'        G  21  -9.716 -19.603   0.160
  228   2H5*    G  21          2H5'        G  21 -10.873 -20.879  -0.257
  229    H4*    G  21           H4'        G  21  -8.781 -21.327  -1.379
  230    H3*    G  21           H3'        G  21  -9.987 -23.229   0.193
  231    H1*    G  21           H1'        G  21  -6.432 -22.918  -0.475
  232    H8     G  21           H8         G  21  -6.964 -22.331   3.108
  233    H1     G  21           H1         G  21  -0.794 -22.232   1.529
  234   1H2     G  21          1H2         G  21  -0.638 -22.264  -0.719
  235   2H2     G  21          2H2         G  21  -2.070 -22.295  -1.758
  236   1H2*    G  21          1H2'        G  21  -8.232 -23.152   1.765
  237   2H2*    G  21          2H2'        G  21  -7.451 -24.312   0.659
  238   1H5*    G  22          1H5'        G  22  -7.342 -23.625  -3.762
  239   2H5*    G  22          2H5'        G  22  -8.116 -24.977  -4.617
  240    H4*    G  22           H4'        G  22  -5.863 -24.454  -5.537
  241    H3*    G  22           H3'        G  22  -6.607 -27.031  -5.270
  242    H1*    G  22           H1'        G  22  -3.227 -25.928  -3.777
  243    H8     G  22           H8         G  22  -6.093 -25.575  -1.207
  244    H1     G  22           H1         G  22  -0.219 -25.312   1.307
  245   1H2     G  22          1H2         G  22   1.298 -25.480  -0.379
  246   2H2     G  22          2H2         G  22   0.779 -25.612  -2.053
  247    H3T    G  22           H3T        G  22  -4.158 -25.755  -5.797
  248   1H2*    G  22          1H2'        G  22  -5.867 -27.017  -2.857
  249   2H2*    G  22          2H2'        G  22  -4.560 -27.838  -3.788
  250   1H1   BPI  25          H1        BPH   1  -7.095  -9.583   7.689
  251    H2   BPI  25           H2       BPH   1  -7.845  -7.435   9.873
  252   2HO   BPI  25          HO2       BPH   1  -8.667  -7.348   7.430
  253    H3   BPI  25           H3       BPH   1  -9.200  -9.162  10.863
  254   3HO   BPI  25          HO3       BPH   1  -9.532 -10.149   8.604
  255    H4   BPI  25           H4       BPH   1  -7.466 -10.149  11.849
  256   4HO   BPI  25          HO4       BPH   1  -6.420  -8.353  12.432
  257    H5   BPI  25           H5       BPH   1  -5.285 -11.118  12.001
  258    H6   BPI  25           H6       BPH   1  -3.177 -11.744  10.968
  259    H7   BPI  25           H7       BPH   1  -1.456 -11.357   9.202
  260    H8   BPI  25           H8       BPH   1  -0.757 -10.044   7.282
  261    H9   BPI  25           H9       BPH   1  -1.389  -9.402   4.911
  262    H10  BPI  25           H10      BPH   1  -3.181  -9.155   3.177
  263    H11  BPI  25           H11      BPH   1  -5.658  -9.584   3.965
  264    H12  BPI  25           H12      BPH   1  -6.162 -10.086   6.047
  Start of MODEL    2
    1   1H5*    C   1          1H5'        C   1   8.226 -28.512   3.152
    2   2H5*    C   1          2H5'        C   1   6.764 -28.552   4.139
    3    H4*    C   1           H4'        C   1   7.074 -27.438   1.315
    4    H3*    C   1           H3'        C   1   6.942 -26.065   3.952
    5    H1*    C   1           H1'        C   1   4.865 -26.079   0.513
    6   1H4     C   1          1H4         C   1  -1.072 -24.841   2.297
    7   2H4     C   1          2H4         C   1  -0.708 -25.040   4.005
    8    H5     C   1           H5         C   1   1.580 -25.864   4.765
    9    H6     C   1           H6         C   1   3.795 -26.309   3.999
   10    H5T    C   1           H5T        C   1   5.837 -29.753   2.309
   11   1H2*    C   1          1H2'        C   1   5.265 -24.677   3.091
   12   2H2*    C   1          2H2'        C   1   6.148 -24.514   1.526
   13   1H5*    C   2          1H5'        C   2   7.765 -24.566  -0.166
   14   2H5*    C   2          2H5'        C   2   8.835 -23.169  -0.435
   15    H4*    C   2           H4'        C   2   6.743 -23.044  -1.776
   16    H3*    C   2           H3'        C   2   7.608 -20.940   0.077
   17    H1*    C   2           H1'        C   2   4.176 -21.856  -1.138
   18   1H4     C   2          1H4         C   2   0.118 -22.309   3.792
   19   2H4     C   2          2H4         C   2   1.377 -22.331   5.014
   20    H5     C   2           H5         C   2   3.998 -22.390   4.162
   21    H6     C   2           H6         C   2   5.212 -22.258   2.487
   22   1H2*    C   2          1H2'        C   2   5.808 -20.758   1.187
   23   2H2*    C   2          2H2'        C   2   5.186 -19.955  -0.278
   24   1H5*    A   3          1H5'        A   3   3.156 -21.114  -3.672
   25   2H5*    A   3          2H5'        A   3   3.728 -19.724  -4.609
   26    H4*    A   3           H4'        A   3   1.478 -19.516  -4.028
   27    H3*    A   3           H3'        A   3   3.356 -17.475  -3.326
   28    H1*    A   3           H1'        A   3   0.016 -18.319  -1.835
   29    H8     A   3           H8         A   3   2.816 -18.596   0.820
   30   1H6     A   3          1H6         A   3  -1.819 -19.134   4.923
   31   2H6     A   3          2H6         A   3  -0.086 -18.929   4.739
   32    H2     A   3           H2         A   3  -3.587 -18.889   0.854
   33   1H2*    A   3          1H2'        A   3   2.679 -17.291  -1.033
   34   2H2*    A   3          2H2'        A   3   1.185 -16.635  -1.659
   35   1H5*    T   4          1H5'        T   4  -1.122 -17.063  -4.797
   36   2H5*    T   4          2H5'        T   4  -1.897 -15.805  -5.768
   37    H4*    T   4           H4'        T   4  -3.226 -16.193  -3.866
   38    H3*    T   4           H3'        T   4  -1.826 -13.586  -3.792
   39   1H2*    T   4          1H2'        T   4  -1.942 -13.540  -1.636
   40   2H2*    T   4          2H2'        T   4  -3.753 -13.596  -1.643
   41    H1*    T   4           H1'        T   4  -3.858 -15.785  -1.398
   42    H3     T   4           H3         T   4  -2.850 -16.216   2.938
   43   1H5M    T   4          H51         T   4   1.632 -14.973   2.195
   44   2H5M    T   4          H52         T   4   1.367 -13.896   0.799
   45   3H5M    T   4          H53         T   4   1.784 -15.599   0.534
   46    H6     T   4           H6         T   4  -0.444 -14.918  -0.967
   47   1H5*    C   5          1H5'        C   5  -6.505 -11.866  -3.552
   48   2H5*    C   5          2H5'        C   5  -4.921 -12.087  -2.785
   49    H4*    C   5           H4'        C   5  -7.604 -12.119  -1.320
   50    H3*    C   5           H3'        C   5  -5.269 -10.229  -1.525
   51    H1*    C   5           H1'        C   5  -6.914 -12.003   1.440
   52   1H4     C   5          1H4         C   5  -1.511 -13.203   4.617
   53   2H4     C   5          2H4         C   5  -0.482 -12.933   3.210
   54    H5     C   5           H5         C   5  -1.492 -12.053   1.059
   55    H6     C   5           H6         C   5  -3.722 -11.619  -0.029
   56   1H2*    C   5          1H2'        C   5  -5.048 -10.052   0.530
   57   2H2*    C   5          2H2'        C   5  -6.773  -9.984   0.963
   58   1H5*   +G   6          1H5'        G   6  -9.030 -11.233   0.364
   59   2H5*   +G   6          2H5'        G   6 -10.724 -10.779   0.100
   60    H4*   +G   6           H4'        G   6 -10.209 -10.809   2.437
   61    H3*   +G   6           H3'        G   6 -11.051  -8.319   1.054
   62    H1*   +G   6           H1'        G   6  -9.129  -8.753   4.330
   63    H8    +G   6           H8         G   6  -7.453  -6.918   1.394
   64    H1    +G   6           H1         G   6  -4.527  -6.439   7.071
   65   1H2    +G   6          1H2         G   6  -5.880  -7.387   8.585
   66   1H2*   +G   6          1H2'        G   6  -9.657  -6.930   2.142
   67   2H2*   +G   6          2H2'        G   6 -10.478  -7.333   3.681
   68   1H5*    C   7          1H5'        C   7 -12.259  -8.975   5.375
   69   2H5*    C   7          2H5'        C   7 -13.868  -8.331   5.770
   70    H4*    C   7           H4'        C   7 -12.219  -7.683   7.470
   71    H3*    C   7           H3'        C   7 -13.835  -5.794   5.979
   72    H1*    C   7           H1'        C   7 -10.426  -5.625   7.887
   73   1H4     C   7          1H4         C   7  -5.420  -3.055   5.033
   74   2H4     C   7          2H4         C   7  -6.179  -3.107   3.443
   75    H5     C   7           H5         C   7  -8.439  -4.162   3.135
   76    H6     C   7           H6         C   7 -10.280  -5.154   4.317
   77   1H2*    C   7          1H2'        C   7 -11.826  -4.431   5.535
   78   2H2*    C   7          2H2'        C   7 -11.915  -4.047   7.278
   79   1H5*    T   8          1H5'        T   8 -12.188  -5.515  10.438
   80   2H5*    T   8          2H5'        T   8 -13.457  -4.734  11.413
   81    H4*    T   8           H4'        T   8 -11.203  -4.145  12.347
   82    H3*    T   8           H3'        T   8 -13.085  -2.247  11.623
   83   1H2*    T   8          1H2'        T   8 -11.583  -1.326  10.133
   84   2H2*    T   8          2H2'        T   8 -10.733  -0.625  11.546
   85    H1*    T   8           H1'        T   8  -9.275  -2.210  11.849
   86    H3     T   8           H3         T   8  -6.486  -0.584   8.479
   87   1H5M    T   8          H51         T   8  -9.905  -1.146   5.308
   88   2H5M    T   8          H52         T   8 -11.289  -1.021   6.426
   89   3H5M    T   8          H53         T   8 -10.657  -2.616   6.008
   90    H6     T   8           H6         T   8 -10.912  -2.313   8.746
   91   1H5*    A   9          1H5'        A   9 -10.631   1.043  12.933
   92   2H5*    A   9          2H5'        A   9  -9.496  -0.320  13.292
   93    H4*    A   9           H4'        A   9  -8.652   1.337  15.214
   94    H3*    A   9           H3'        A   9 -11.097   2.442  14.812
   95    H1*    A   9           H1'        A   9  -7.967   3.762  13.036
   96    H8     A   9           H8         A   9 -10.480   1.853  10.656
   97   1H6     A   9          1H6         A   9  -6.218   2.156   6.199
   98   2H6     A   9          2H6         A   9  -7.806   1.581   6.634
   99    H2     A   9           H2         A   9  -4.379   3.697  10.004
  100   1H2*    A   9          1H2'        A   9 -10.714   2.945  12.488
  101   2H2*    A   9          2H2'        A   9  -9.991   4.418  13.168
  102   1H5*    C  10          1H5'        C  10  -7.927   5.198  15.775
  103   2H5*    C  10          2H5'        C  10  -8.123   6.871  16.337
  104    H4*    C  10           H4'        C  10  -6.834   6.679  14.172
  105    H3*    C  10           H3'        C  10  -9.340   8.206  14.372
  106    H1*    C  10           H1'        C  10  -6.908   6.689  11.766
  107   1H4     C  10          1H4         C  10  -9.178   4.205   6.613
  108   2H4     C  10          2H4         C  10 -10.817   4.010   7.225
  109    H5     C  10           H5         C  10 -11.379   4.806   9.719
  110    H6     C  10           H6         C  10 -10.322   5.896  11.594
  111   1H2*    C  10          1H2'        C  10  -9.702   7.557  12.126
  112   2H2*    C  10          2H2'        C  10  -8.196   8.467  11.641
  113   1H5*    C  11          1H5'        C  11  -3.872   8.645  11.106
  114   2H5*    C  11          2H5'        C  11  -4.048  10.049  12.165
  115    H4*    C  11           H4'        C  11  -4.645  10.898  10.004
  116    H3*    C  11           H3'        C  11  -7.028  10.362  11.605
  117    H1*    C  11           H1'        C  11  -6.290  10.494   7.762
  118   1H4     C  11          1H4         C  11 -10.888   6.818   5.768
  119   2H4     C  11          2H4         C  11 -11.825   6.952   7.255
  120    H5     C  11           H5         C  11 -11.011   8.318   9.132
  121    H6     C  11           H6         C  11  -9.034   9.680   9.934
  122    H3T    C  11           H3T        C  11  -5.739  11.718  12.575
  123   1H2*    C  11          1H2'        C  11  -8.112  11.516   9.663
  124   2H2*    C  11          2H2'        C  11  -6.475  12.174   9.281
  125   1H5*    G  12          1H5'        G  12  -8.251   7.529  -5.101
  126   2H5*    G  12          2H5'        G  12  -6.851   6.533  -5.549
  127    H4*    G  12           H4'        G  12  -6.335   8.079  -3.681
  128    H3*    G  12           H3'        G  12  -5.785   5.285  -3.608
  129    H1*    G  12           H1'        G  12  -6.591   7.641  -0.841
  130    H8     G  12           H8         G  12  -9.842   5.500  -1.162
  131    H1     G  12           H1         G  12  -8.447   7.876   4.621
  132   1H2     G  12          1H2         G  12  -6.472   9.074   4.400
  133   2H2     G  12          2H2         G  12  -5.545   8.928   2.899
  134    H5T    G  12           H5T        G  12  -8.994   5.761  -3.857
  135   1H2*    G  12          1H2'        G  12  -7.431   4.976  -1.917
  136   2H2*    G  12          2H2'        G  12  -5.994   5.317  -0.886
  137   1H5*    G  13          1H5'        G  13  -4.198  10.315  -0.076
  138   2H5*    G  13          2H5'        G  13  -2.722   9.849  -0.928
  139    H4*    G  13           H4'        G  13  -2.429   9.886   1.678
  140    H3*    G  13           H3'        G  13  -1.495   7.734   0.091
  141    H1*    G  13           H1'        G  13  -2.610   7.888   3.532
  142    H8     G  13           H8         G  13  -4.992   5.846   1.318
  143    H1     G  13           H1         G  13  -6.589   5.500   7.487
  144   1H2     G  13          1H2         G  13  -5.150   6.866   8.663
  145   2H2     G  13          2H2         G  13  -3.859   7.742   7.853
  146   1H2*    G  13          1H2'        G  13  -2.865   6.258   1.245
  147   2H2*    G  13          2H2'        G  13  -1.674   6.493   2.566
  148   1H5*    T  14          1H5'        T  14   0.599   8.679   4.604
  149   2H5*    T  14          2H5'        T  14   2.295   8.202   4.360
  150    H4*    T  14           H4'        T  14   1.431   7.165   6.539
  151    H3*    T  14           H3'        T  14   2.388   5.637   4.314
  152   1H2*    T  14          1H2'        T  14   0.875   4.097   4.538
  153   2H2*    T  14          2H2'        T  14   1.503   3.777   6.222
  154    H1*    T  14           H1'        T  14   0.049   5.033   7.268
  155    H3     T  14           H3         T  14  -4.114   3.148   7.150
  156   1H5M    T  14          H51         T  14  -2.305   2.786   2.227
  157   2H5M    T  14          H52         T  14  -3.082   4.364   2.150
  158   3H5M    T  14          H53         T  14  -4.077   2.937   2.459
  159    H6     T  14           H6         T  14  -1.006   4.530   3.786
  160   1H5*    A  15          1H5'        A  15   1.447   5.407   9.926
  161   2H5*    A  15          2H5'        A  15   2.975   4.737  10.526
  162    H4*    A  15           H4'        A  15   0.999   3.430  11.309
  163    H3*    A  15           H3'        A  15   3.137   2.153   9.763
  164    H1*    A  15           H1'        A  15  -0.458   1.315  10.517
  165    H8     A  15           H8         A  15   0.441   1.195   6.812
  166   1H6     A  15          1H6         A  15  -5.553  -0.431   6.078
  167   2H6     A  15          2H6         A  15  -4.029  -0.203   5.238
  168    H2     A  15           H2         A  15  -4.722   0.537  10.417
  169   1H2*    A  15          1H2'        A  15   1.686   0.743   8.668
  170   2H2*    A  15          2H2'        A  15   1.035   0.104  10.149
  171   1H5*    G  16          1H5'        G  16   0.302   0.209  13.504
  172   2H5*    G  16          2H5'        G  16   1.479  -0.863  14.289
  173    H4*    G  16           H4'        G  16  -0.644  -2.013  14.242
  174    H3*    G  16           H3'        G  16   1.701  -3.036  13.301
  175    H1*    G  16           H1'        G  16  -1.605  -3.803  12.164
  176    H8     G  16           H8         G  16   0.036  -2.089   9.149
  177    H1     G  16           H1         G  16  -5.983  -3.873   7.881
  178   1H2     G  16          1H2         G  16  -6.969  -4.579   9.724
  179   2H2     G  16          2H2         G  16  -6.070  -4.797  11.229
  180   1H2*    G  16          1H2'        G  16   0.920  -2.792  10.978
  181   2H2*    G  16          2H2'        G  16   0.401  -4.482  11.287
  182   1H5*    C  17          1H5'        C  17  -1.841  -5.827  14.870
  183   2H5*    C  17          2H5'        C  17  -1.211  -7.338  15.573
  184    H4*    C  17           H4'        C  17  -3.468  -7.662  14.610
  185    H3*    C  17           H3'        C  17  -1.478  -9.366  14.378
  186    H1*    C  17           H1'        C  17  -3.714  -8.390  11.556
  187   1H4     C  17          1H4         C  17  -2.445  -5.170   6.242
  188   2H4     C  17          2H4         C  17  -0.746  -5.013   6.634
  189    H5     C  17           H5         C  17   0.222  -6.018   8.628
  190    H6     C  17           H6         C  17  -0.317  -7.189  10.769
  191   1H2*    C  17          1H2'        C  17  -0.805  -8.298  12.462
  192   2H2*    C  17          2H2'        C  17  -1.649  -9.788  11.698
  193   1H5*    G  18          1H5'        G  18  -4.822 -13.950  15.060
  194   2H5*    G  18          2H5'        G  18  -3.889 -14.125  13.564
  195    H4*    G  18           H4'        G  18  -6.866 -13.569  13.756
  196    H3*    G  18           H3'        G  18  -5.910 -16.042  14.145
  197    H1*    G  18           H1'        G  18  -6.684 -14.987  10.474
  198    H8     G  18           H8         G  18  -2.857 -14.188  11.336
  199    H1     G  18           H1         G  18  -4.436 -13.747   5.182
  200   1H2     G  18          1H2         G  18  -6.647 -13.968   4.957
  201   2H2     G  18          2H2         G  18  -7.632 -14.666   6.261
  202   1H2*    G  18          1H2'        G  18  -4.430 -15.933  12.261
  203   2H2*    G  18          2H2'        G  18  -5.751 -16.885  11.539
  204   1H5*    A  19          1H5'        A  19  -9.542 -15.898  10.604
  205   2H5*    A  19          2H5'        A  19 -10.489 -17.331  11.062
  206    H4*    A  19           H4'        A  19 -10.377 -17.260   8.633
  207    H3*    A  19           H3'        A  19  -9.147 -19.431  10.109
  208    H1*    A  19           H1'        A  19  -8.333 -17.828   6.543
  209    H8     A  19           H8         A  19  -5.707 -18.466   9.313
  210   1H6     A  19          1H6         A  19  -1.592 -16.587   5.027
  211   2H6     A  19          2H6         A  19  -1.794 -17.159   6.672
  212    H2     A  19           H2         A  19  -5.734 -16.319   3.297
  213   1H2*    A  19          1H2'        A  19  -7.501 -19.771   8.691
  214   2H2*    A  19          2H2'        A  19  -8.652 -19.935   7.354
  215   1H5*    T  20          1H5'        T  20 -10.826 -18.799   6.319
  216   2H5*    T  20          2H5'        T  20 -12.108 -19.872   5.680
  217    H4*    T  20           H4'        T  20 -10.730 -18.878   3.828
  218    H3*    T  20           H3'        T  20 -11.205 -21.650   4.213
  219   1H2*    T  20          1H2'        T  20  -8.893 -22.245   4.170
  220   2H2*    T  20          2H2'        T  20  -9.202 -21.908   2.460
  221    H1*    T  20           H1'        T  20  -8.312 -19.730   2.543
  222    H3     T  20           H3         T  20  -3.875 -19.489   3.563
  223   1H5M    T  20          H51         T  20  -4.487 -21.894   7.531
  224   2H5M    T  20          H52         T  20  -5.894 -22.857   7.008
  225   3H5M    T  20          H53         T  20  -6.146 -21.345   7.899
  226    H6     T  20           H6         T  20  -7.673 -21.372   5.729
  227   1H5*    G  21          1H5'        G  21  -8.973 -18.660  -0.684
  228   2H5*    G  21          2H5'        G  21 -10.043 -19.775  -1.548
  229    H4*    G  21           H4'        G  21  -7.842 -19.912  -2.514
  230    H3*    G  21           H3'        G  21  -9.164 -22.162  -1.651
  231    H1*    G  21           H1'        G  21  -5.580 -21.724  -1.815
  232    H8     G  21           H8         G  21  -6.512 -21.945   1.751
  233    H1     G  21           H1         G  21  -0.197 -21.870   0.869
  234   1H2     G  21          1H2         G  21   0.207 -21.357  -1.328
  235   2H2     G  21          2H2         G  21  -1.122 -21.229  -2.475
  236   1H2*    G  21          1H2'        G  21  -7.578 -22.455   0.104
  237   2H2*    G  21          2H2'        G  21  -6.685 -23.343  -1.168
  238   1H5*    G  22          1H5'        G  22  -6.259 -21.480  -5.314
  239   2H5*    G  22          2H5'        G  22  -6.875 -22.536  -6.603
  240    H4*    G  22           H4'        G  22  -4.565 -21.725  -7.062
  241    H3*    G  22           H3'        G  22  -5.192 -24.276  -7.677
  242    H1*    G  22           H1'        G  22  -2.066 -23.662  -5.518
  243    H8     G  22           H8         G  22  -5.214 -24.023  -3.314
  244    H1     G  22           H1         G  22   0.313 -24.719  -0.173
  245   1H2     G  22          1H2         G  22   2.013 -24.463  -1.641
  246   2H2     G  22          2H2         G  22   1.720 -24.024  -3.319
  247    H3T    G  22           H3T        G  22  -2.767 -22.869  -7.465
  248   1H2*    G  22          1H2'        G  22  -4.757 -24.950  -5.276
  249   2H2*    G  22          2H2'        G  22  -3.327 -25.485  -6.237
  250   1H1   BPI  25          H1        BPH   1  -7.331  -9.768   7.685
  251    H2   BPI  25           H2       BPH   1  -7.975  -7.667   9.964
  252   2HO   BPI  25          HO2       BPH   1  -8.955  -6.925   8.138
  253    H3   BPI  25           H3       BPH   1  -9.551  -9.326  10.787
  254   3HO   BPI  25          HO3       BPH   1  -9.844 -10.091   8.431
  255    H4   BPI  25           H4       BPH   1  -7.922 -10.446  11.815
  256   4HO   BPI  25          HO4       BPH   1  -6.920  -8.659  12.541
  257    H5   BPI  25           H5       BPH   1  -5.717 -11.348  12.123
  258    H6   BPI  25           H6       BPH   1  -3.542 -11.968  11.211
  259    H7   BPI  25           H7       BPH   1  -1.726 -11.528   9.553
  260    H8   BPI  25           H8       BPH   1  -0.947 -10.238   7.653
  261    H9   BPI  25           H9       BPH   1  -1.475  -9.580   5.238
  262    H10  BPI  25           H10      BPH   1  -3.190  -9.336   3.423
  263    H11  BPI  25           H11      BPH   1  -5.676  -9.864   4.058
  264    H12  BPI  25           H12      BPH   1  -6.278 -10.390   6.123
  Start of MODEL    3
    1   1H5*    C   1          1H5'        C   1   8.276 -27.932   3.491
    2   2H5*    C   1          2H5'        C   1   9.464 -26.685   3.894
    3    H4*    C   1           H4'        C   1   8.233 -26.186   1.804
    4    H3*    C   1           H3'        C   1   7.998 -24.345   4.162
    5    H1*    C   1           H1'        C   1   5.880 -25.181   0.859
    6   1H4     C   1          1H4         C   1  -0.130 -24.414   2.797
    7   2H4     C   1          2H4         C   1   0.333 -24.311   4.489
    8    H5     C   1           H5         C   1   2.708 -24.795   5.205
    9    H6     C   1           H6         C   1   4.944 -25.063   4.375
   10    H5T    C   1           H5T        C   1   6.860 -26.930   5.012
   11   1H2*    C   1          1H2'        C   1   6.131 -23.333   3.190
   12   2H2*    C   1          2H2'        C   1   6.958 -23.285   1.587
   13   1H5*    C   2          1H5'        C   2   7.605 -24.063  -1.169
   14   2H5*    C   2          2H5'        C   2   8.676 -22.757  -1.717
   15    H4*    C   2           H4'        C   2   6.381 -22.415  -2.373
   16    H3*    C   2           H3'        C   2   7.691 -20.424  -0.563
   17    H1*    C   2           H1'        C   2   4.114 -21.250  -1.446
   18   1H4     C   2          1H4         C   2   0.549 -21.516   3.858
   19   2H4     C   2          2H4         C   2   1.924 -21.300   4.933
   20    H5     C   2           H5         C   2   4.406 -21.222   3.885
   21    H6     C   2           H6         C   2   5.489 -21.151   2.099
   22   1H2*    C   2          1H2'        C   2   5.965 -19.858   0.523
   23   2H2*    C   2          2H2'        C   2   5.279 -19.276  -0.992
   24   1H5*    A   3          1H5'        A   3   3.312 -20.560  -4.360
   25   2H5*    A   3          2H5'        A   3   3.893 -19.177  -5.304
   26    H4*    A   3           H4'        A   3   1.652 -18.934  -4.730
   27    H3*    A   3           H3'        A   3   3.622 -16.984  -3.768
   28    H1*    A   3           H1'        A   3   0.066 -17.835  -2.577
   29    H8     A   3           H8         A   3   2.931 -17.826   0.023
   30   1H6     A   3          1H6         A   3  -1.366 -19.074   4.293
   31   2H6     A   3          2H6         A   3   0.295 -18.600   4.003
   32    H2     A   3           H2         A   3  -3.379 -18.973   0.279
   33   1H2*    A   3          1H2'        A   3   2.566 -16.531  -1.773
   34   2H2*    A   3          2H2'        A   3   1.083 -16.061  -2.600
   35   1H5*    T   4          1H5'        T   4  -0.681 -16.483  -4.848
   36   2H5*    T   4          2H5'        T   4  -1.145 -15.015  -5.731
   37    H4*    T   4           H4'        T   4  -2.919 -15.784  -4.164
   38    H3*    T   4           H3'        T   4  -1.688 -13.112  -3.820
   39   1H2*    T   4          1H2'        T   4  -1.922 -13.184  -1.669
   40   2H2*    T   4          2H2'        T   4  -3.722 -13.325  -1.793
   41    H1*    T   4           H1'        T   4  -3.763 -15.566  -1.655
   42    H3     T   4           H3         T   4  -2.680 -16.133   2.749
   43   1H5M    T   4          H51         T   4   1.795 -14.845   1.930
   44   2H5M    T   4          H52         T   4   1.875 -15.330   0.226
   45   3H5M    T   4          H53         T   4   1.475 -13.660   0.632
   46    H6     T   4           H6         T   4  -0.394 -14.621  -1.144
   47   1H5*    C   5          1H5'        C   5  -7.219 -14.448  -2.150
   48   2H5*    C   5          2H5'        C   5  -7.634 -12.950  -3.008
   49    H4*    C   5           H4'        C   5  -8.127 -12.707  -0.579
   50    H3*    C   5           H3'        C   5  -5.870 -10.984  -1.535
   51    H1*    C   5           H1'        C   5  -7.078 -12.377   1.851
   52   1H4     C   5          1H4         C   5  -1.449 -13.157   4.637
   53   2H4     C   5          2H4         C   5  -0.516 -12.714   3.208
   54    H5     C   5           H5         C   5  -1.711 -11.970   1.117
   55    H6     C   5           H6         C   5  -4.020 -11.750   0.124
   56   1H2*    C   5          1H2'        C   5  -5.547 -10.365   0.511
   57   2H2*    C   5          2H2'        C   5  -7.250 -10.461   1.023
   58   1H5*   +G   6          1H5'        G   6  -9.682 -10.970  -0.169
   59   2H5*   +G   6          2H5'        G   6 -11.305 -10.298  -0.331
   60    H4*   +G   6           H4'        G   6 -10.748 -10.667   1.960
   61    H3*   +G   6           H3'        G   6 -11.391  -8.004   0.877
   62    H1*   +G   6           H1'        G   6  -9.476  -8.895   4.116
   63    H8    +G   6           H8         G   6  -7.648  -7.186   1.265
   64    H1    +G   6           H1         G   6  -4.940  -6.561   7.024
   65   1H2    +G   6          1H2         G   6  -6.397  -7.364   8.538
   66   1H2*   +G   6          1H2'        G   6  -9.823  -6.890   2.070
   67   2H2*   +G   6          2H2'        G   6 -10.705  -7.336   3.585
   68   1H5*    C   7          1H5'        C   7 -12.578  -8.827   5.127
   69   2H5*    C   7          2H5'        C   7 -14.123  -8.083   5.595
   70    H4*    C   7           H4'        C   7 -12.380  -7.604   7.262
   71    H3*    C   7           H3'        C   7 -13.885  -5.551   5.833
   72    H1*    C   7           H1'        C   7 -10.433  -5.713   7.698
   73   1H4     C   7          1H4         C   7  -5.434  -3.165   4.872
   74   2H4     C   7          2H4         C   7  -6.168  -3.226   3.266
   75    H5     C   7           H5         C   7  -8.475  -4.187   2.958
   76    H6     C   7           H6         C   7 -10.349  -5.152   4.169
   77   1H2*    C   7          1H2'        C   7 -11.792  -4.307   5.448
   78   2H2*    C   7          2H2'        C   7 -11.829  -4.017   7.211
   79   1H5*    T   8          1H5'        T   8 -11.978  -5.628  10.074
   80   2H5*    T   8          2H5'        T   8 -13.197  -4.949  11.180
   81    H4*    T   8           H4'        T   8 -10.904  -4.562  12.124
   82    H3*    T   8           H3'        T   8 -12.744  -2.547  11.726
   83   1H2*    T   8          1H2'        T   8 -11.305  -1.543  10.227
   84   2H2*    T   8          2H2'        T   8 -10.409  -0.923  11.656
   85    H1*    T   8           H1'        T   8  -8.965  -2.538  11.821
   86    H3     T   8           H3         T   8  -6.264  -0.641   8.499
   87   1H5M    T   8          H51         T   8 -11.104  -1.013   6.538
   88   2H5M    T   8          H52         T   8  -9.753  -1.058   5.379
   89   3H5M    T   8          H53         T   8 -10.464  -2.579   6.011
   90    H6     T   8           H6         T   8 -10.656  -2.450   8.755
   91   1H5*    A   9          1H5'        A   9 -10.217   0.499  13.209
   92   2H5*    A   9          2H5'        A   9  -8.984  -0.787  13.393
   93    H4*    A   9           H4'        A   9  -8.127   0.730  15.412
   94    H3*    A   9           H3'        A   9 -10.604   1.779  15.250
   95    H1*    A   9           H1'        A   9  -7.698   3.318  13.383
   96    H8     A   9           H8         A   9 -10.221   1.610  10.892
   97   1H6     A   9          1H6         A   9  -6.048   2.242   6.383
   98   2H6     A   9          2H6         A   9  -7.654   1.708   6.803
   99    H2     A   9           H2         A   9  -4.119   3.454  10.285
  100   1H2*    A   9          1H2'        A   9 -10.431   2.317  12.883
  101   2H2*    A   9          2H2'        A   9  -9.847   3.792  13.546
  102   1H5*    C  10          1H5'        C  10  -7.071   4.143  16.613
  103   2H5*    C  10          2H5'        C  10  -6.810   5.719  17.374
  104    H4*    C  10           H4'        C  10  -6.058   5.792  15.058
  105    H3*    C  10           H3'        C  10  -8.369   7.444  15.783
  106    H1*    C  10           H1'        C  10  -6.364   6.147  12.720
  107   1H4     C  10          1H4         C  10  -9.129   4.468   7.527
  108   2H4     C  10          2H4         C  10 -10.739   4.356   8.225
  109    H5     C  10           H5         C  10 -11.086   4.898  10.763
  110    H6     C  10           H6         C  10  -9.816   5.765  12.723
  111   1H2*    C  10          1H2'        C  10  -9.003   7.195  13.514
  112   2H2*    C  10          2H2'        C  10  -7.459   8.024  12.999
  113   1H5*    C  11          1H5'        C  11  -3.119   7.869  12.186
  114   2H5*    C  11          2H5'        C  11  -3.083   9.111  13.441
  115    H4*    C  11           H4'        C  11  -3.777  10.301  11.483
  116    H3*    C  11           H3'        C  11  -6.100   9.726  13.169
  117    H1*    C  11           H1'        C  11  -5.599  10.328   9.347
  118   1H4     C  11          1H4         C  11 -10.641   7.376   7.244
  119   2H4     C  11          2H4         C  11 -11.481   7.427   8.793
  120    H5     C  11           H5         C  11 -10.450   8.492  10.732
  121    H6     C  11           H6         C  11  -8.305   9.552  11.573
  122    H3T    C  11           H3T        C  11  -4.615  10.837  14.228
  123   1H2*    C  11          1H2'        C  11  -7.177  11.254  11.496
  124   2H2*    C  11          2H2'        C  11  -5.509  11.791  11.083
  125   1H5*    G  12          1H5'        G  12  -8.759   9.884  -3.476
  126   2H5*    G  12          2H5'        G  12  -7.571   8.828  -4.270
  127    H4*    G  12           H4'        G  12  -6.667   9.870  -2.205
  128    H3*    G  12           H3'        G  12  -6.548   7.072  -2.746
  129    H1*    G  12           H1'        G  12  -6.746   8.880   0.506
  130    H8     G  12           H8         G  12 -10.287   7.260   0.146
  131    H1     G  12           H1         G  12  -8.147   8.355   6.080
  132   1H2     G  12          1H2         G  12  -6.049   9.326   5.880
  133   2H2     G  12          2H2         G  12  -5.274   9.359   4.286
  134    H5T    G  12           H5T        G  12  -9.645   8.009  -2.516
  135   1H2*    G  12          1H2'        G  12  -8.056   6.620  -0.967
  136   2H2*    G  12          2H2'        G  12  -6.504   6.566  -0.055
  137   1H5*    G  13          1H5'        G  13  -3.965  11.111   1.390
  138   2H5*    G  13          2H5'        G  13  -2.632  10.593   0.355
  139    H4*    G  13           H4'        G  13  -2.173  10.145   2.899
  140    H3*    G  13           H3'        G  13  -1.636   8.234   0.917
  141    H1*    G  13           H1'        G  13  -2.558   7.901   4.387
  142    H8     G  13           H8         G  13  -5.293   6.453   2.120
  143    H1     G  13           H1         G  13  -6.394   5.385   8.319
  144   1H2     G  13          1H2         G  13  -4.750   6.453   9.517
  145   2H2     G  13          2H2         G  13  -3.449   7.318   8.707
  146   1H2*    G  13          1H2'        G  13  -3.159   6.689   1.867
  147   2H2*    G  13          2H2'        G  13  -1.924   6.596   3.115
  148   1H5*    T  14          1H5'        T  14   0.814   9.058   5.260
  149   2H5*    T  14          2H5'        T  14   2.529   8.681   5.454
  150    H4*    T  14           H4'        T  14   1.462   7.239   7.002
  151    H3*    T  14           H3'        T  14   2.575   5.917   4.777
  152   1H2*    T  14          1H2'        T  14   0.981   4.434   4.791
  153   2H2*    T  14          2H2'        T  14   1.517   3.948   6.479
  154    H1*    T  14           H1'        T  14   0.031   5.137   7.514
  155    H3     T  14           H3         T  14  -4.020   3.232   7.315
  156   1H5M    T  14          H51         T  14  -3.873   3.080   2.609
  157   2H5M    T  14          H52         T  14  -2.978   4.592   2.372
  158   3H5M    T  14          H53         T  14  -2.081   3.081   2.408
  159    H6     T  14           H6         T  14  -0.893   4.708   4.004
  160   1H5*    A  15          1H5'        A  15   2.221   5.094   9.386
  161   2H5*    A  15          2H5'        A  15   3.623   4.319  10.156
  162    H4*    A  15           H4'        A  15   1.467   3.396  11.123
  163    H3*    A  15           H3'        A  15   3.460   1.723   9.892
  164    H1*    A  15           H1'        A  15  -0.191   1.338  10.512
  165    H8     A  15           H8         A  15   0.627   1.252   6.796
  166   1H6     A  15          1H6         A  15  -5.371  -0.444   6.114
  167   2H6     A  15          2H6         A  15  -3.870  -0.174   5.248
  168    H2     A  15           H2         A  15  -4.441   0.312  10.466
  169   1H2*    A  15          1H2'        A  15   1.866   0.557   8.631
  170   2H2*    A  15          2H2'        A  15   1.134  -0.043  10.102
  171   1H5*    G  16          1H5'        G  16   0.078   0.202  13.545
  172   2H5*    G  16          2H5'        G  16   1.169  -0.916  14.387
  173    H4*    G  16           H4'        G  16  -0.989  -1.971  14.262
  174    H3*    G  16           H3'        G  16   1.345  -3.097  13.417
  175    H1*    G  16           H1'        G  16  -1.908  -3.745  12.149
  176    H8     G  16           H8         G  16  -0.137  -2.078   9.187
  177    H1     G  16           H1         G  16  -6.113  -3.915   7.769
  178   1H2     G  16          1H2         G  16  -7.134  -4.597   9.618
  179   2H2     G  16          2H2         G  16  -6.260  -4.765  11.142
  180   1H2*    G  16          1H2'        G  16   0.669  -2.780  11.060
  181   2H2*    G  16          2H2'        G  16   0.119  -4.468  11.317
  182   1H5*    C  17          1H5'        C  17  -2.355  -5.827  14.893
  183   2H5*    C  17          2H5'        C  17  -1.760  -7.355  15.593
  184    H4*    C  17           H4'        C  17  -4.013  -7.610  14.604
  185    H3*    C  17           H3'        C  17  -2.119  -9.425  14.395
  186    H1*    C  17           H1'        C  17  -4.185  -8.382  11.536
  187   1H4     C  17          1H4         C  17  -2.783  -5.343   6.179
  188   2H4     C  17          2H4         C  17  -1.108  -5.094   6.633
  189    H5     C  17           H5         C  17  -0.184  -6.019   8.711
  190    H6     C  17           H6         C  17  -0.801  -7.132  10.875
  191   1H2*    C  17          1H2'        C  17  -1.324  -8.265  12.541
  192   2H2*    C  17          2H2'        C  17  -2.088  -9.767  11.727
  193   1H5*    G  18          1H5'        G  18  -4.032 -13.915  15.396
  194   2H5*    G  18          2H5'        G  18  -3.149 -14.248  13.900
  195    H4*    G  18           H4'        G  18  -6.091 -13.523  14.125
  196    H3*    G  18           H3'        G  18  -5.215 -16.041  14.472
  197    H1*    G  18           H1'        G  18  -6.205 -14.924  10.913
  198    H8     G  18           H8         G  18  -2.338 -14.146  11.426
  199    H1     G  18           H1         G  18  -4.368 -13.821   5.395
  200   1H2     G  18          1H2         G  18  -6.566 -14.093   5.328
  201   2H2     G  18          2H2         G  18  -7.448 -14.773   6.714
  202   1H2*    G  18          1H2'        G  18  -3.827 -15.939  12.499
  203   2H2*    G  18          2H2'        G  18  -5.211 -16.870  11.865
  204   1H5*    A  19          1H5'        A  19  -8.862 -15.747  10.912
  205   2H5*    A  19          2H5'        A  19  -9.835 -17.161  11.371
  206    H4*    A  19           H4'        A  19  -9.734 -17.124   8.969
  207    H3*    A  19           H3'        A  19  -8.529 -19.309  10.410
  208    H1*    A  19           H1'        A  19  -7.789 -17.793   6.845
  209    H8     A  19           H8         A  19  -4.942 -18.142   9.460
  210   1H6     A  19          1H6         A  19  -1.222 -16.505   4.744
  211   2H6     A  19          2H6         A  19  -1.290 -17.002   6.425
  212    H2     A  19           H2         A  19  -5.486 -16.509   3.303
  213   1H2*    A  19          1H2'        A  19  -6.802 -19.459   9.169
  214   2H2*    A  19          2H2'        A  19  -7.823 -19.924   7.799
  215   1H5*    T  20          1H5'        T  20 -10.186 -18.857   6.331
  216   2H5*    T  20          2H5'        T  20 -11.465 -20.076   6.057
  217    H4*    T  20           H4'        T  20 -10.392 -19.531   3.849
  218    H3*    T  20           H3'        T  20 -10.644 -22.066   4.946
  219   1H2*    T  20          1H2'        T  20  -8.300 -22.471   4.969
  220   2H2*    T  20          2H2'        T  20  -8.697 -22.742   3.263
  221    H1*    T  20           H1'        T  20  -8.017 -20.605   2.571
  222    H3     T  20           H3         T  20  -3.562 -19.528   3.065
  223   1H5M    T  20          H51         T  20  -5.322 -20.551   7.905
  224   2H5M    T  20          H52         T  20  -4.914 -22.178   7.348
  225   3H5M    T  20          H53         T  20  -3.614 -20.962   7.531
  226    H6     T  20           H6         T  20  -6.926 -21.205   6.015
  227   1H5*    G  21          1H5'        G  21  -9.676 -21.125   0.083
  228   2H5*    G  21          2H5'        G  21 -10.318 -22.536  -0.775
  229    H4*    G  21           H4'        G  21  -8.245 -21.975  -1.828
  230    H3*    G  21           H3'        G  21  -8.665 -24.493  -0.785
  231    H1*    G  21           H1'        G  21  -5.476 -22.864  -1.247
  232    H8     G  21           H8         G  21  -6.131 -22.941   2.348
  233    H1     G  21           H1         G  21  -0.065 -21.545   0.983
  234   1H2     G  21          1H2         G  21   0.095 -21.290  -1.264
  235   2H2     G  21          2H2         G  21  -1.296 -21.562  -2.313
  236   1H2*    G  21          1H2'        G  21  -6.972 -24.066   0.877
  237   2H2*    G  21          2H2'        G  21  -5.921 -24.733  -0.412
  238   1H5*    G  22          1H5'        G  22  -6.205 -23.261  -4.717
  239   2H5*    G  22          2H5'        G  22  -6.622 -24.546  -5.869
  240    H4*    G  22           H4'        G  22  -4.582 -23.301  -6.562
  241    H3*    G  22           H3'        G  22  -4.629 -25.980  -6.879
  242    H1*    G  22           H1'        G  22  -1.633 -24.467  -5.012
  243    H8     G  22           H8         G  22  -4.547 -25.146  -2.589
  244    H1     G  22           H1         G  22   1.126 -24.448   0.262
  245   1H2     G  22          1H2         G  22   2.705 -24.093  -1.333
  246   2H2     G  22          2H2         G  22   2.257 -23.922  -3.024
  247    H3T    G  22           H3T        G  22  -2.601 -24.034  -6.970
  248   1H2*    G  22          1H2'        G  22  -3.968 -26.244  -4.445
  249   2H2*    G  22          2H2'        G  22  -2.496 -26.591  -5.439
  250   1H1   BPI  25          H1        BPH   1  -7.691  -9.811   7.622
  251    H2   BPI  25           H2       BPH   1  -8.426  -7.717   9.915
  252   2HO   BPI  25          HO2       BPH   1  -9.425  -8.070   7.291
  253    H3   BPI  25           H3       BPH   1  -9.948  -9.401  10.750
  254   3HO   BPI  25          HO3       BPH   1  -9.415 -11.542   9.369
  255    H4   BPI  25           H4       BPH   1  -8.322 -10.417  11.812
  256   4HO   BPI  25          HO4       BPH   1  -6.732  -8.488  11.983
  257    H5   BPI  25           H5       BPH   1  -6.171 -11.418  12.086
  258    H6   BPI  25           H6       BPH   1  -3.978 -11.984  11.214
  259    H7   BPI  25           H7       BPH   1  -2.150 -11.541   9.619
  260    H8   BPI  25           H8       BPH   1  -1.317 -10.242   7.736
  261    H9   BPI  25           H9       BPH   1  -1.781  -9.594   5.321
  262    H10  BPI  25           H10      BPH   1  -3.459  -9.318   3.467
  263    H11  BPI  25           H11      BPH   1  -5.946  -9.800   4.030
  264    H12  BPI  25           H12      BPH   1  -6.610 -10.407   6.083
  Start of MODEL    4
    1   1H5*    C   1          1H5'        C   1   8.462 -28.527   1.934
    2   2H5*    C   1          2H5'        C   1   7.066 -28.573   3.014
    3    H4*    C   1           H4'        C   1   7.228 -27.355   0.222
    4    H3*    C   1           H3'        C   1   7.278 -26.085   2.913
    5    H1*    C   1           H1'        C   1   5.008 -25.925  -0.399
    6   1H4     C   1          1H4         C   1  -0.797 -24.684   1.759
    7   2H4     C   1          2H4         C   1  -0.339 -24.933   3.439
    8    H5     C   1           H5         C   1   1.977 -25.814   4.042
    9    H6     C   1           H6         C   1   4.137 -26.263   3.137
   10    H5T    C   1           H5T        C   1   5.992 -29.689   1.216
   11   1H2*    C   1          1H2'        C   1   5.584 -24.632   2.205
   12   2H2*    C   1          2H2'        C   1   6.380 -24.425   0.601
   13   1H5*    C   2          1H5'        C   2   7.907 -24.453  -1.191
   14   2H5*    C   2          2H5'        C   2   8.970 -23.053  -1.478
   15    H4*    C   2           H4'        C   2   6.802 -22.868  -2.681
   16    H3*    C   2           H3'        C   2   7.804 -20.832  -0.815
   17    H1*    C   2           H1'        C   2   4.300 -21.680  -1.864
   18   1H4     C   2          1H4         C   2   0.519 -22.220   3.272
   19   2H4     C   2          2H4         C   2   1.842 -22.294   4.420
   20    H5     C   2           H5         C   2   4.414 -22.360   3.422
   21    H6     C   2           H6         C   2   5.534 -22.192   1.687
   22   1H2*    C   2          1H2'        C   2   6.071 -20.662   0.396
   23   2H2*    C   2          2H2'        C   2   5.375 -19.810  -1.003
   24   1H5*    A   3          1H5'        A   3   3.149 -20.757  -4.331
   25   2H5*    A   3          2H5'        A   3   3.712 -19.334  -5.222
   26    H4*    A   3           H4'        A   3   1.512 -19.103  -4.522
   27    H3*    A   3           H3'        A   3   3.477 -17.150  -3.752
   28    H1*    A   3           H1'        A   3   0.147 -18.031  -2.210
   29    H8     A   3           H8         A   3   3.087 -18.463   0.277
   30   1H6     A   3          1H6         A   3  -1.300 -19.210   4.607
   31   2H6     A   3          2H6         A   3   0.421 -19.024   4.323
   32    H2     A   3           H2         A   3  -3.304 -18.717   0.656
   33   1H2*    A   3          1H2'        A   3   2.835 -17.034  -1.460
   34   2H2*    A   3          2H2'        A   3   1.327 -16.356  -2.023
   35   1H5*    T   4          1H5'        T   4  -0.913 -16.585  -5.227
   36   2H5*    T   4          2H5'        T   4  -1.716 -15.272  -6.098
   37    H4*    T   4           H4'        T   4  -3.011 -15.827  -4.205
   38    H3*    T   4           H3'        T   4  -1.708 -13.176  -4.015
   39   1H2*    T   4          1H2'        T   4  -1.805 -13.254  -1.852
   40   2H2*    T   4          2H2'        T   4  -3.612 -13.402  -1.859
   41    H1*    T   4           H1'        T   4  -3.592 -15.637  -1.703
   42    H3     T   4           H3         T   4  -2.525 -16.144   2.607
   43   1H5M    T   4          H51         T   4   1.896 -14.701   1.841
   44   2H5M    T   4          H52         T   4   2.041 -15.254   0.154
   45   3H5M    T   4          H53         T   4   1.553 -13.583   0.494
   46    H6     T   4           H6         T   4  -0.232 -14.605  -1.278
   47   1H5*    C   5          1H5'        C   5  -7.311 -14.496  -2.166
   48   2H5*    C   5          2H5'        C   5  -7.650 -13.002  -3.068
   49    H4*    C   5           H4'        C   5  -8.174 -12.683  -0.633
   50    H3*    C   5           H3'        C   5  -5.810 -11.153  -1.638
   51    H1*    C   5           H1'        C   5  -7.039 -12.303   1.798
   52   1H4     C   5          1H4         C   5  -1.388 -13.144   4.489
   53   2H4     C   5          2H4         C   5  -0.473 -12.783   3.021
   54    H5     C   5           H5         C   5  -1.690 -12.036   0.961
   55    H6     C   5           H6         C   5  -3.984 -11.795  -0.001
   56   1H2*    C   5          1H2'        C   5  -5.491 -10.383   0.391
   57   2H2*    C   5          2H2'        C   5  -7.198 -10.435   0.893
   58   1H5*   +G   6          1H5'        G   6  -9.608 -11.628   0.792
   59   2H5*   +G   6          2H5'        G   6 -11.230 -11.008   0.426
   60    H4*   +G   6           H4'        G   6 -10.709 -10.782   2.718
   61    H3*   +G   6           H3'        G   6 -11.131  -8.366   0.992
   62    H1*   +G   6           H1'        G   6  -9.371  -8.738   4.386
   63    H8    +G   6           H8         G   6  -7.543  -7.253   1.354
   64    H1    +G   6           H1         G   6  -4.720  -6.588   7.069
   65   1H2    +G   6          1H2         G   6  -6.146  -7.350   8.598
   66   1H2*   +G   6          1H2'        G   6  -9.737  -7.003   2.111
   67   2H2*   +G   6          2H2'        G   6 -10.627  -7.282   3.640
   68   1H5*    C   7          1H5'        C   7 -12.587  -8.670   5.198
   69   2H5*    C   7          2H5'        C   7 -14.112  -7.843   5.596
   70    H4*    C   7           H4'        C   7 -12.383  -7.452   7.320
   71    H3*    C   7           H3'        C   7 -13.889  -5.397   6.009
   72    H1*    C   7           H1'        C   7 -10.395  -5.522   7.682
   73   1H4     C   7          1H4         C   7  -5.259  -3.222   4.877
   74   2H4     C   7          2H4         C   7  -5.988  -3.278   3.271
   75    H5     C   7           H5         C   7  -8.305  -4.231   2.939
   76    H6     C   7           H6         C   7 -10.199  -5.092   4.108
   77   1H2*    C   7          1H2'        C   7 -11.767  -4.340   5.249
   78   2H2*    C   7          2H2'        C   7 -11.699  -3.824   6.972
   79   1H5*    T   8          1H5'        T   8 -12.489  -5.656  10.581
   80   2H5*    T   8          2H5'        T   8 -13.391  -4.998  11.955
   81    H4*    T   8           H4'        T   8 -11.237  -4.059  12.219
   82    H3*    T   8           H3'        T   8 -13.188  -2.209  11.473
   83   1H2*    T   8          1H2'        T   8 -11.629  -1.315  10.033
   84   2H2*    T   8          2H2'        T   8 -10.728  -0.719  11.467
   85    H1*    T   8           H1'        T   8  -9.363  -2.393  11.623
   86    H3     T   8           H3         T   8  -6.465  -0.701   8.473
   87   1H5M    T   8          H51         T   8 -10.707  -2.253   5.802
   88   2H5M    T   8          H52         T   8 -11.273  -0.671   6.351
   89   3H5M    T   8          H53         T   8  -9.881  -0.760   5.242
   90    H6     T   8           H6         T   8 -11.007  -2.132   8.545
   91   1H5*    A   9          1H5'        A   9 -10.595   0.906  12.970
   92   2H5*    A   9          2H5'        A   9  -9.567  -0.560  13.237
   93    H4*    A   9           H4'        A   9  -8.554   0.919  15.222
   94    H3*    A   9           H3'        A   9 -10.909   2.230  14.937
   95    H1*    A   9           H1'        A   9  -7.721   3.419  13.200
   96    H8     A   9           H8         A   9 -10.375   1.804  10.746
   97   1H6     A   9          1H6         A   9  -6.213   2.299   6.216
   98   2H6     A   9          2H6         A   9  -7.814   1.760   6.651
   99    H2     A   9           H2         A   9  -4.225   3.490  10.070
  100   1H2*    A   9          1H2'        A   9 -10.518   2.822  12.634
  101   2H2*    A   9          2H2'        A   9  -9.693   4.210  13.369
  102   1H5*    C  10          1H5'        C  10  -7.563   4.734  15.990
  103   2H5*    C  10          2H5'        C  10  -7.678   6.380  16.651
  104    H4*    C  10           H4'        C  10  -6.447   6.250  14.462
  105    H3*    C  10           H3'        C  10  -8.873   7.883  14.820
  106    H1*    C  10           H1'        C  10  -6.555   6.451  12.070
  107   1H4     C  10          1H4         C  10  -9.001   4.421   6.800
  108   2H4     C  10          2H4         C  10 -10.642   4.277   7.417
  109    H5     C  10           H5         C  10 -11.125   4.877   9.986
  110    H6     C  10           H6         C  10  -9.993   5.798  11.909
  111   1H2*    C  10          1H2'        C  10  -9.310   7.391  12.548
  112   2H2*    C  10          2H2'        C  10  -7.778   8.274  12.087
  113   1H5*    C  11          1H5'        C  11  -3.425   8.338  11.522
  114   2H5*    C  11          2H5'        C  11  -3.523   9.644  12.712
  115    H4*    C  11           H4'        C  11  -4.140  10.712  10.657
  116    H3*    C  11           H3'        C  11  -6.526  10.085  12.228
  117    H1*    C  11           H1'        C  11  -5.810  10.534   8.406
  118   1H4     C  11          1H4         C  11 -10.525   7.146   6.166
  119   2H4     C  11          2H4         C  11 -11.447   7.205   7.668
  120    H5     C  11           H5         C  11 -10.593   8.411   9.624
  121    H6     C  11           H6         C  11  -8.582   9.654  10.515
  122    H3T    C  11           H3T        C  11  -5.190  11.337  13.305
  123   1H2*    C  11          1H2'        C  11  -7.585  11.447  10.404
  124   2H2*    C  11          2H2'        C  11  -5.927  12.078  10.080
  125   1H5*    G  12          1H5'        G  12  -8.282   8.578  -4.651
  126   2H5*    G  12          2H5'        G  12  -6.936   7.589  -5.251
  127    H4*    G  12           H4'        G  12  -6.273   8.978  -3.295
  128    H3*    G  12           H3'        G  12  -5.861   6.146  -3.459
  129    H1*    G  12           H1'        G  12  -6.343   8.396  -0.466
  130    H8     G  12           H8         G  12  -9.663   6.351  -0.821
  131    H1     G  12           H1         G  12  -8.075   8.214   5.093
  132   1H2     G  12          1H2         G  12  -6.066   9.369   4.931
  133   2H2     G  12          2H2         G  12  -5.166   9.295   3.406
  134    H5T    G  12           H5T        G  12  -9.011   6.736  -3.514
  135   1H2*    G  12          1H2'        G  12  -7.259   5.784  -1.578
  136   2H2*    G  12          2H2'        G  12  -5.712   6.101  -0.711
  137   1H5*    G  13          1H5'        G  13  -3.779  10.573   0.268
  138   2H5*    G  13          2H5'        G  13  -2.196  10.232  -0.457
  139    H4*    G  13           H4'        G  13  -1.997  10.074   2.100
  140    H3*    G  13           H3'        G  13  -1.213   7.958   0.389
  141    H1*    G  13           H1'        G  13  -2.314   7.987   3.834
  142    H8     G  13           H8         G  13  -4.837   6.256   1.522
  143    H1     G  13           H1         G  13  -6.342   5.556   7.691
  144   1H2     G  13          1H2         G  13  -4.819   6.738   8.921
  145   2H2     G  13          2H2         G  13  -3.484   7.597   8.162
  146   1H2*    G  13          1H2'        G  13  -2.685   6.524   1.461
  147   2H2*    G  13          2H2'        G  13  -1.464   6.596   2.783
  148   1H5*    T  14          1H5'        T  14   0.964   8.521   4.892
  149   2H5*    T  14          2H5'        T  14   2.634   7.970   4.625
  150    H4*    T  14           H4'        T  14   1.720   6.844   6.719
  151    H3*    T  14           H3'        T  14   2.525   5.389   4.379
  152   1H2*    T  14          1H2'        T  14   0.923   3.922   4.575
  153   2H2*    T  14          2H2'        T  14   1.569   3.498   6.227
  154    H1*    T  14           H1'        T  14   0.211   4.777   7.352
  155    H3     T  14           H3         T  14  -4.035   3.088   7.197
  156   1H5M    T  14          H51         T  14  -4.079   3.214   2.495
  157   2H5M    T  14          H52         T  14  -2.994   4.592   2.273
  158   3H5M    T  14          H53         T  14  -2.321   2.965   2.233
  159    H6     T  14           H6         T  14  -0.917   4.536   3.874
  160   1H5*    A  15          1H5'        A  15   1.631   5.080   9.935
  161   2H5*    A  15          2H5'        A  15   3.141   4.378  10.552
  162    H4*    A  15           H4'        A  15   1.139   3.116  11.333
  163    H3*    A  15           H3'        A  15   3.243   1.795   9.780
  164    H1*    A  15           H1'        A  15  -0.373   1.040  10.538
  165    H8     A  15           H8         A  15   0.519   0.926   6.825
  166   1H6     A  15          1H6         A  15  -5.526  -0.458   6.046
  167   2H6     A  15          2H6         A  15  -3.980  -0.338   5.224
  168    H2     A  15           H2         A  15  -4.670   0.366  10.409
  169   1H2*    A  15          1H2'        A  15   1.750   0.418   8.679
  170   2H2*    A  15          2H2'        A  15   1.092  -0.201  10.165
  171   1H5*    G  16          1H5'        G  16   0.343   0.009  13.477
  172   2H5*    G  16          2H5'        G  16   1.436  -1.112  14.315
  173    H4*    G  16           H4'        G  16  -0.767  -2.125  14.236
  174    H3*    G  16           H3'        G  16   1.539  -3.315  13.425
  175    H1*    G  16           H1'        G  16  -1.744  -3.903  12.157
  176    H8     G  16           H8         G  16   0.108  -2.379   9.167
  177    H1     G  16           H1         G  16  -5.952  -3.904   7.734
  178   1H2     G  16          1H2         G  16  -7.015  -4.523   9.570
  179   2H2     G  16          2H2         G  16  -6.190  -4.654  11.129
  180   1H2*    G  16          1H2'        G  16   0.881  -3.048  11.063
  181   2H2*    G  16          2H2'        G  16   0.269  -4.709  11.360
  182   1H5*    C  17          1H5'        C  17  -2.138  -5.944  15.020
  183   2H5*    C  17          2H5'        C  17  -1.592  -7.486  15.730
  184    H4*    C  17           H4'        C  17  -3.870  -7.652  14.761
  185    H3*    C  17           H3'        C  17  -2.064  -9.558  14.556
  186    H1*    C  17           H1'        C  17  -4.123  -8.429  11.720
  187   1H4     C  17          1H4         C  17  -2.604  -5.502   6.303
  188   2H4     C  17          2H4         C  17  -0.916  -5.387   6.745
  189    H5     C  17           H5         C  17  -0.035  -6.311   8.813
  190    H6     C  17           H6         C  17  -0.681  -7.369  10.997
  191   1H2*    C  17          1H2'        C  17  -1.246  -8.475  12.670
  192   2H2*    C  17          2H2'        C  17  -2.101  -9.930  11.880
  193   1H5*    G  18          1H5'        G  18  -3.613 -14.076  15.195
  194   2H5*    G  18          2H5'        G  18  -2.841 -14.271  13.620
  195    H4*    G  18           H4'        G  18  -5.824 -13.990  14.149
  196    H3*    G  18           H3'        G  18  -4.437 -16.325  14.260
  197    H1*    G  18           H1'        G  18  -5.977 -15.172  10.801
  198    H8     G  18           H8         G  18  -2.079 -14.264  11.188
  199    H1     G  18           H1         G  18  -4.411 -13.695   5.302
  200   1H2     G  18          1H2         G  18  -6.616 -14.005   5.314
  201   2H2     G  18          2H2         G  18  -7.443 -14.680   6.739
  202   1H2*    G  18          1H2'        G  18  -3.440 -16.151  12.144
  203   2H2*    G  18          2H2'        G  18  -4.860 -17.086  11.632
  204   1H5*    A  19          1H5'        A  19  -8.566 -14.952  10.506
  205   2H5*    A  19          2H5'        A  19  -9.716 -16.177  11.070
  206    H4*    A  19           H4'        A  19  -9.556 -16.209   8.691
  207    H3*    A  19           H3'        A  19  -8.772 -18.597  10.186
  208    H1*    A  19           H1'        A  19  -7.840 -17.336   6.564
  209    H8     A  19           H8         A  19  -5.084 -18.225   9.164
  210   1H6     A  19          1H6         A  19  -1.166 -16.678   4.590
  211   2H6     A  19          2H6         A  19  -1.302 -17.306   6.223
  212    H2     A  19           H2         A  19  -5.377 -16.076   3.148
  213   1H2*    A  19          1H2'        A  19  -7.174 -19.143   8.907
  214   2H2*    A  19          2H2'        A  19  -8.319 -19.431   7.594
  215   1H5*    T  20          1H5'        T  20 -11.712 -19.629   5.625
  216   2H5*    T  20          2H5'        T  20 -10.149 -20.066   6.355
  217    H4*    T  20           H4'        T  20 -10.439 -18.548   3.717
  218    H3*    T  20           H3'        T  20 -10.809 -21.322   4.233
  219   1H2*    T  20          1H2'        T  20  -8.474 -21.792   4.351
  220   2H2*    T  20          2H2'        T  20  -8.754 -21.690   2.617
  221    H1*    T  20           H1'        T  20  -7.974 -19.469   2.467
  222    H3     T  20           H3         T  20  -3.484 -19.393   3.346
  223   1H5M    T  20          H51         T  20  -5.588 -22.154   7.244
  224   2H5M    T  20          H52         T  20  -4.121 -21.209   7.617
  225   3H5M    T  20          H53         T  20  -5.745 -20.536   7.947
  226    H6     T  20           H6         T  20  -7.332 -20.705   5.830
  227   1H5*    G  21          1H5'        G  21  -8.686 -18.334  -0.733
  228   2H5*    G  21          2H5'        G  21  -9.815 -19.422  -1.562
  229    H4*    G  21           H4'        G  21  -7.669 -19.595  -2.633
  230    H3*    G  21           H3'        G  21  -9.017 -21.809  -1.744
  231    H1*    G  21           H1'        G  21  -5.439 -21.495  -2.004
  232    H8     G  21           H8         G  21  -6.218 -21.701   1.598
  233    H1     G  21           H1         G  21   0.047 -21.724   0.402
  234   1H2     G  21          1H2         G  21   0.347 -21.201  -1.803
  235   2H2     G  21          2H2         G  21  -1.034 -21.016  -2.882
  236   1H2*    G  21          1H2'        G  21  -7.392 -22.124  -0.005
  237   2H2*    G  21          2H2'        G  21  -6.573 -23.069  -1.291
  238   1H5*    G  22          1H5'        G  22  -6.396 -21.180  -5.546
  239   2H5*    G  22          2H5'        G  22  -7.051 -22.224  -6.827
  240    H4*    G  22           H4'        G  22  -4.765 -21.375  -7.352
  241    H3*    G  22           H3'        G  22  -5.396 -23.927  -7.984
  242    H1*    G  22           H1'        G  22  -2.190 -23.297  -5.960
  243    H8     G  22           H8         G  22  -5.225 -23.739  -3.623
  244    H1     G  22           H1         G  22   0.454 -24.521  -0.790
  245   1H2     G  22          1H2         G  22   2.074 -24.218  -2.342
  246   2H2     G  22          2H2         G  22   1.688 -23.741  -3.991
  247    H3T    G  22           H3T        G  22  -3.007 -22.459  -7.882
  248   1H2*    G  22          1H2'        G  22  -4.846 -24.646  -5.621
  249   2H2*    G  22          2H2'        G  22  -3.448 -25.132  -6.656
  250   1H1   BPI  25          H1        BPH   1  -7.648  -9.707   7.749
  251    H2   BPI  25           H2       BPH   1  -8.288  -7.505   9.974
  252   2HO   BPI  25          HO2       BPH   1  -9.810  -8.269   7.688
  253    H3   BPI  25           H3       BPH   1  -9.925  -9.083  10.794
  254   3HO   BPI  25          HO3       BPH   1  -9.515 -11.236   9.398
  255    H4   BPI  25           H4       BPH   1  -8.388 -10.223  11.894
  256   4HO   BPI  25          HO4       BPH   1  -6.704  -7.995  11.415
  257    H5   BPI  25           H5       BPH   1  -6.305 -11.382  12.229
  258    H6   BPI  25           H6       BPH   1  -4.121 -12.060  11.404
  259    H7   BPI  25           H7       BPH   1  -2.241 -11.715   9.813
  260    H8   BPI  25           H8       BPH   1  -1.330 -10.431   7.937
  261    H9   BPI  25           H9       BPH   1  -1.750  -9.822   5.483
  262    H10  BPI  25           H10      BPH   1  -3.397  -9.584   3.606
  263    H11  BPI  25           H11      BPH   1  -5.919  -9.945   4.170
  264    H12  BPI  25           H12      BPH   1  -6.604 -10.454   6.238
  Start of MODEL    5
    1   1H5*    C   1          1H5'        C   1   6.783 -28.946   3.128
    2   2H5*    C   1          2H5'        C   1   8.073 -27.833   3.594
    3    H4*    C   1           H4'        C   1   6.932 -27.160   1.478
    4    H3*    C   1           H3'        C   1   6.880 -25.369   3.876
    5    H1*    C   1           H1'        C   1   4.678 -25.888   0.560
    6   1H4     C   1          1H4         C   1  -1.241 -24.662   2.625
    7   2H4     C   1          2H4         C   1  -0.731 -24.624   4.305
    8    H5     C   1           H5         C   1   1.593 -25.301   4.966
    9    H6     C   1           H6         C   1   3.784 -25.747   4.102
   10    H5T    C   1           H5T        C   1   5.428 -27.862   4.645
   11   1H2*    C   1          1H2'        C   1   5.116 -24.142   2.935
   12   2H2*    C   1          2H2'        C   1   5.941 -24.151   1.332
   13   1H5*    C   2          1H5'        C   2   6.450 -24.994  -1.391
   14   2H5*    C   2          2H5'        C   2   7.633 -23.808  -1.981
   15    H4*    C   2           H4'        C   2   5.365 -23.230  -2.585
   16    H3*    C   2           H3'        C   2   6.921 -21.383  -0.820
   17    H1*    C   2           H1'        C   2   3.257 -21.833  -1.597
   18   1H4     C   2          1H4         C   2  -0.139 -21.809   3.823
   19   2H4     C   2          2H4         C   2   1.282 -21.725   4.860
   20    H5     C   2           H5         C   2   3.723 -21.851   3.733
   21    H6     C   2           H6         C   2   4.755 -21.866   1.903
   22   1H2*    C   2          1H2'        C   2   5.297 -20.629   0.303
   23   2H2*    C   2          2H2'        C   2   4.627 -19.994  -1.195
   24   1H5*    A   3          1H5'        A   3   2.419 -21.103  -4.449
   25   2H5*    A   3          2H5'        A   3   3.124 -19.803  -5.428
   26    H4*    A   3           H4'        A   3   0.963 -19.280  -4.786
   27    H3*    A   3           H3'        A   3   3.193 -17.604  -3.834
   28    H1*    A   3           H1'        A   3  -0.436 -18.023  -2.594
   29    H8     A   3           H8         A   3   2.487 -18.298  -0.085
   30   1H6     A   3          1H6         A   3  -1.753 -19.118   4.338
   31   2H6     A   3          2H6         A   3  -0.070 -18.796   3.978
   32    H2     A   3           H2         A   3  -3.893 -18.814   0.386
   33   1H2*    A   3          1H2'        A   3   2.193 -16.955  -1.869
   34   2H2*    A   3          2H2'        A   3   0.759 -16.377  -2.702
   35   1H5*    T   4          1H5'        T   4  -0.921 -16.643  -4.892
   36   2H5*    T   4          2H5'        T   4  -1.298 -15.157  -5.782
   37    H4*    T   4           H4'        T   4  -3.076 -15.773  -4.164
   38    H3*    T   4           H3'        T   4  -1.644 -13.192  -3.882
   39   1H2*    T   4          1H2'        T   4  -1.855 -13.217  -1.730
   40   2H2*    T   4          2H2'        T   4  -3.665 -13.228  -1.835
   41    H1*    T   4           H1'        T   4  -3.862 -15.451  -1.653
   42    H3     T   4           H3         T   4  -2.756 -16.069   2.741
   43   1H5M    T   4          H51         T   4   1.786 -15.641   0.144
   44   2H5M    T   4          H52         T   4   1.535 -13.934   0.526
   45   3H5M    T   4          H53         T   4   1.778 -15.123   1.841
   46    H6     T   4           H6         T   4  -0.430 -14.740  -1.191
   47   1H5*    C   5          1H5'        C   5  -7.322 -13.991  -2.333
   48   2H5*    C   5          2H5'        C   5  -7.586 -12.433  -3.146
   49    H4*    C   5           H4'        C   5  -8.035 -12.226  -0.691
   50    H3*    C   5           H3'        C   5  -5.614 -10.725  -1.613
   51    H1*    C   5           H1'        C   5  -6.907 -12.158   1.716
   52   1H4     C   5          1H4         C   5  -1.325 -13.134   4.510
   53   2H4     C   5          2H4         C   5  -0.365 -12.747   3.081
   54    H5     C   5           H5         C   5  -1.533 -11.888   1.002
   55    H6     C   5           H6         C   5  -3.817 -11.577   0.011
   56   1H2*    C   5          1H2'        C   5  -5.275 -10.154   0.491
   57   2H2*    C   5          2H2'        C   5  -6.983 -10.225   0.999
   58   1H5*   +G   6          1H5'        G   6  -9.907 -11.995   1.390
   59   2H5*   +G   6          2H5'        G   6 -11.218 -11.172   0.544
   60    H4*   +G   6           H4'        G   6 -10.818 -10.666   2.882
   61    H3*   +G   6           H3'        G   6 -10.896  -8.445   0.805
   62    H1*   +G   6           H1'        G   6  -9.415  -8.584   4.381
   63    H8    +G   6           H8         G   6  -7.527  -7.134   1.351
   64    H1    +G   6           H1         G   6  -4.744  -6.574   7.087
   65   1H2    +G   6          1H2         G   6  -6.222  -7.339   8.623
   66   1H2*   +G   6          1H2'        G   6  -9.731  -6.953   2.026
   67   2H2*   +G   6          2H2'        G   6 -10.679  -7.216   3.496
   68   1H5*    C   7          1H5'        C   7 -12.729  -8.625   4.711
   69   2H5*    C   7          2H5'        C   7 -14.253  -7.791   5.086
   70    H4*    C   7           H4'        C   7 -12.564  -7.543   6.920
   71    H3*    C   7           H3'        C   7 -13.948  -5.343   5.614
   72    H1*    C   7           H1'        C   7 -10.535  -5.743   7.529
   73   1H4     C   7          1H4         C   7  -5.445  -3.236   4.682
   74   2H4     C   7          2H4         C   7  -6.219  -3.246   3.096
   75    H5     C   7           H5         C   7  -8.569  -4.115   2.816
   76    H6     C   7           H6         C   7 -10.438  -5.031   4.026
   77   1H2*    C   7          1H2'        C   7 -11.809  -4.147   5.356
   78   2H2*    C   7          2H2'        C   7 -11.872  -3.996   7.133
   79   1H5*    T   8          1H5'        T   8 -11.898  -5.988   9.735
   80   2H5*    T   8          2H5'        T   8 -13.117  -5.472  10.925
   81    H4*    T   8           H4'        T   8 -10.839  -5.197  11.924
   82    H3*    T   8           H3'        T   8 -12.709  -3.150  11.678
   83   1H2*    T   8          1H2'        T   8 -11.231  -1.946  10.402
   84   2H2*    T   8          2H2'        T   8 -10.359  -1.537  11.938
   85    H1*    T   8           H1'        T   8  -8.877  -3.138  11.866
   86    H3     T   8           H3         T   8  -6.206  -0.792   8.795
   87   1H5M    T   8          H51         T   8 -10.342  -2.526   6.095
   88   2H5M    T   8          H52         T   8 -11.026  -1.036   6.780
   89   3H5M    T   8          H53         T   8  -9.657  -0.929   5.644
   90    H6     T   8           H6         T   8 -10.573  -2.704   8.829
   91   1H5*    A   9          1H5'        A   9 -10.666  -0.828  15.212
   92   2H5*    A   9          2H5'        A   9 -10.381  -0.155  13.622
   93    H4*    A   9           H4'        A   9  -8.097  -0.225  15.615
   94    H3*    A   9           H3'        A   9 -10.406   1.210  15.663
   95    H1*    A   9           H1'        A   9  -7.442   2.351  13.795
   96    H8     A   9           H8         A   9 -10.178   1.031  11.312
   97   1H6     A   9          1H6         A   9  -6.452   2.540   6.630
   98   2H6     A   9          2H6         A   9  -7.973   1.842   7.112
   99    H2     A   9           H2         A   9  -4.248   3.294  10.530
  100   1H2*    A   9          1H2'        A   9 -10.291   1.762  13.323
  101   2H2*    A   9          2H2'        A   9  -9.414   3.146  14.013
  102   1H5*    C  10          1H5'        C  10  -6.305   3.544  16.770
  103   2H5*    C  10          2H5'        C  10  -6.349   5.071  17.659
  104    H4*    C  10           H4'        C  10  -6.151   5.740  15.400
  105    H3*    C  10           H3'        C  10  -8.851   6.121  16.390
  106    H1*    C  10           H1'        C  10  -6.659   5.948  13.099
  107   1H4     C  10          1H4         C  10  -9.263   4.289   7.839
  108   2H4     C  10          2H4         C  10 -10.817   3.888   8.549
  109    H5     C  10           H5         C  10 -11.188   4.214  11.168
  110    H6     C  10           H6         C  10 -10.053   4.975  13.120
  111   1H2*    C  10          1H2'        C  10  -9.392   6.342  14.093
  112   2H2*    C  10          2H2'        C  10  -7.989   7.477  13.829
  113   1H5*    C  11          1H5'        C  11  -3.677   8.548  14.163
  114   2H5*    C  11          2H5'        C  11  -4.155   9.660  15.447
  115    H4*    C  11           H4'        C  11  -4.973  10.574  13.458
  116    H3*    C  11           H3'        C  11  -7.321   9.354  14.774
  117    H1*    C  11           H1'        C  11  -6.453  10.226  11.111
  118   1H4     C  11          1H4         C  11 -10.810   6.731   8.349
  119   2H4     C  11          2H4         C  11 -11.859   6.761   9.759
  120    H5     C  11           H5         C  11 -11.204   7.864  11.796
  121    H6     C  11           H6         C  11  -9.329   9.097  12.939
  122    H3T    C  11           H3T        C  11  -6.319  10.702  16.129
  123   1H2*    C  11          1H2'        C  11  -8.402  10.887  13.046
  124   2H2*    C  11          2H2'        C  11  -6.787  11.629  12.898
  125   1H5*    G  12          1H5'        G  12 -10.214  10.388  -1.588
  126   2H5*    G  12          2H5'        G  12 -10.469  12.024  -0.950
  127    H4*    G  12           H4'        G  12  -8.202  11.976   0.063
  128    H3*    G  12           H3'        G  12  -7.760   9.659  -1.597
  129    H1*    G  12           H1'        G  12  -7.576  10.238   2.142
  130    H8     G  12           H8         G  12 -10.633   7.877   1.472
  131    H1     G  12           H1         G  12  -8.487   8.056   7.490
  132   1H2     G  12          1H2         G  12  -6.720   9.447   7.595
  133   2H2     G  12          2H2         G  12  -6.074  10.203   6.131
  134    H5T    G  12           H5T        G  12  -8.122  11.720  -2.289
  135   1H2*    G  12          1H2'        G  12  -8.504   8.253   0.095
  136   2H2*    G  12          2H2'        G  12  -6.833   8.493   0.712
  137   1H5*    G  13          1H5'        G  13  -4.663  11.646   1.706
  138   2H5*    G  13          2H5'        G  13  -3.059  11.459   0.968
  139    H4*    G  13           H4'        G  13  -2.812  10.994   3.471
  140    H3*    G  13           H3'        G  13  -2.073   9.129   1.489
  141    H1*    G  13           H1'        G  13  -3.067   8.679   4.890
  142    H8     G  13           H8         G  13  -5.789   7.399   2.534
  143    H1     G  13           H1         G  13  -6.627   5.341   8.533
  144   1H2     G  13          1H2         G  13  -5.045   6.295   9.823
  145   2H2     G  13          2H2         G  13  -3.759   7.286   9.132
  146   1H2*    G  13          1H2'        G  13  -3.634   7.622   2.360
  147   2H2*    G  13          2H2'        G  13  -2.348   7.407   3.615
  148   1H5*    T  14          1H5'        T  14   0.116   8.904   5.942
  149   2H5*    T  14          2H5'        T  14   1.782   8.397   5.593
  150    H4*    T  14           H4'        T  14   0.908   6.990   7.518
  151    H3*    T  14           H3'        T  14   1.931   5.899   5.171
  152   1H2*    T  14          1H2'        T  14   0.093   4.721   4.757
  153   2H2*    T  14          2H2'        T  14   0.638   3.725   6.160
  154    H1*    T  14           H1'        T  14  -0.524   4.742   7.714
  155    H3     T  14           H3         T  14  -4.604   2.878   7.293
  156   1H5M    T  14          H51         T  14  -3.873   5.526   2.822
  157   2H5M    T  14          H52         T  14  -3.014   4.052   2.400
  158   3H5M    T  14          H53         T  14  -4.796   4.010   2.667
  159    H6     T  14           H6         T  14  -1.765   5.229   4.285
  160   1H5*    A  15          1H5'        A  15   2.284   4.862  10.008
  161   2H5*    A  15          2H5'        A  15   3.622   4.022  10.805
  162    H4*    A  15           H4'        A  15   1.584   2.871  11.400
  163    H3*    A  15           H3'        A  15   3.549   1.506   9.695
  164    H1*    A  15           H1'        A  15  -0.034   0.905  10.547
  165    H8     A  15           H8         A  15   0.657   1.052   6.787
  166   1H6     A  15          1H6         A  15  -5.418  -0.327   6.263
  167   2H6     A  15          2H6         A  15  -3.936  -0.113   5.345
  168    H2     A  15           H2         A  15  -4.349   0.153  10.585
  169   1H2*    A  15          1H2'        A  15   1.944   0.365   8.540
  170   2H2*    A  15          2H2'        A  15   1.323  -0.385   9.996
  171   1H5*    G  16          1H5'        G  16  -0.668   0.008  13.712
  172   2H5*    G  16          2H5'        G  16   0.587  -0.957  14.517
  173    H4*    G  16           H4'        G  16  -1.307  -2.359  14.019
  174    H3*    G  16           H3'        G  16   1.298  -2.940  13.273
  175    H1*    G  16           H1'        G  16  -1.829  -3.983  11.862
  176    H8     G  16           H8         G  16  -0.028  -2.319   8.930
  177    H1     G  16           H1         G  16  -6.065  -3.919   7.517
  178   1H2     G  16          1H2         G  16  -7.086  -4.654   9.361
  179   2H2     G  16          2H2         G  16  -6.235  -4.765  10.903
  180   1H2*    G  16          1H2'        G  16   0.708  -2.761  10.905
  181   2H2*    G  16          2H2'        G  16   0.314  -4.497  11.148
  182   1H5*    C  17          1H5'        C  17  -1.839  -5.778  14.902
  183   2H5*    C  17          2H5'        C  17  -1.403  -7.342  15.638
  184    H4*    C  17           H4'        C  17  -3.684  -7.347  14.653
  185    H3*    C  17           H3'        C  17  -1.985  -9.370  14.488
  186    H1*    C  17           H1'        C  17  -4.051  -8.192  11.669
  187   1H4     C  17          1H4         C  17  -2.467  -5.553   6.141
  188   2H4     C  17          2H4         C  17  -0.779  -5.381   6.586
  189    H5     C  17           H5         C  17   0.096  -6.230   8.716
  190    H6     C  17           H6         C  17  -0.586  -7.207  10.937
  191   1H2*    C  17          1H2'        C  17  -1.147  -8.411  12.533
  192   2H2*    C  17          2H2'        C  17  -2.118  -9.815  11.819
  193   1H5*    G  18          1H5'        G  18  -3.658 -13.745  15.093
  194   2H5*    G  18          2H5'        G  18  -2.932 -13.989  13.502
  195    H4*    G  18           H4'        G  18  -5.899 -13.698  14.116
  196    H3*    G  18           H3'        G  18  -4.543 -16.024  14.349
  197    H1*    G  18           H1'        G  18  -6.066 -15.092  10.768
  198    H8     G  18           H8         G  18  -2.160 -14.212  11.205
  199    H1     G  18           H1         G  18  -4.349 -13.620   5.275
  200   1H2     G  18          1H2         G  18  -6.540 -13.868   5.214
  201   2H2     G  18          2H2         G  18  -7.446 -14.503   6.607
  202   1H2*    G  18          1H2'        G  18  -3.572 -16.038  12.199
  203   2H2*    G  18          2H2'        G  18  -5.027 -16.952  11.772
  204   1H5*    A  19          1H5'        A  19  -9.038 -15.103  10.588
  205   2H5*    A  19          2H5'        A  19  -9.890 -16.484  11.310
  206    H4*    A  19           H4'        A  19  -9.784 -16.802   8.936
  207    H3*    A  19           H3'        A  19  -8.284 -18.677  10.632
  208    H1*    A  19           H1'        A  19  -7.831 -17.487   6.836
  209    H8     A  19           H8         A  19  -5.040 -18.249   9.397
  210   1H6     A  19          1H6         A  19  -1.249 -16.600   4.742
  211   2H6     A  19          2H6         A  19  -1.327 -17.216   6.383
  212    H2     A  19           H2         A  19  -5.495 -16.080   3.400
  213   1H2*    A  19          1H2'        A  19  -7.009 -19.381   9.005
  214   2H2*    A  19          2H2'        A  19  -8.332 -19.474   7.823
  215   1H5*    T  20          1H5'        T  20 -10.391 -18.460   7.118
  216   2H5*    T  20          2H5'        T  20 -11.792 -19.533   6.820
  217    H4*    T  20           H4'        T  20 -10.769 -18.878   4.628
  218    H3*    T  20           H3'        T  20 -11.177 -21.493   5.487
  219   1H2*    T  20          1H2'        T  20  -8.872 -22.066   5.318
  220   2H2*    T  20          2H2'        T  20  -9.407 -22.147   3.627
  221    H1*    T  20           H1'        T  20  -8.615 -20.007   3.083
  222    H3     T  20           H3         T  20  -4.042 -19.342   3.246
  223   1H5M    T  20          H51         T  20  -3.882 -21.200   7.580
  224   2H5M    T  20          H52         T  20  -5.511 -20.673   8.117
  225   3H5M    T  20          H53         T  20  -5.306 -22.268   7.394
  226    H6     T  20           H6         T  20  -7.291 -21.040   6.322
  227   1H5*    G  21          1H5'        G  21 -10.354 -20.178   0.560
  228   2H5*    G  21          2H5'        G  21 -11.208 -21.473  -0.295
  229    H4*    G  21           H4'        G  21  -9.170 -21.089  -1.494
  230    H3*    G  21           H3'        G  21  -9.794 -23.581  -0.547
  231    H1*    G  21           H1'        G  21  -6.460 -22.299  -1.121
  232    H8     G  21           H8         G  21  -6.963 -22.434   2.475
  233    H1     G  21           H1         G  21  -0.829 -21.724   0.927
  234   1H2     G  21          1H2         G  21  -0.718 -21.420  -1.317
  235   2H2     G  21          2H2         G  21  -2.168 -21.474  -2.318
  236   1H2*    G  21          1H2'        G  21  -7.993 -23.425   1.036
  237   2H2*    G  21          2H2'        G  21  -7.088 -24.149  -0.331
  238   1H5*    G  22          1H5'        G  22  -7.392 -22.417  -4.516
  239   2H5*    G  22          2H5'        G  22  -7.980 -23.574  -5.724
  240    H4*    G  22           H4'        G  22  -5.850 -22.505  -6.424
  241    H3*    G  22           H3'        G  22  -6.179 -25.145  -6.905
  242    H1*    G  22           H1'        G  22  -2.971 -24.062  -5.085
  243    H8     G  22           H8         G  22  -5.868 -24.566  -2.613
  244    H1     G  22           H1         G  22  -0.082 -24.751   0.093
  245   1H2     G  22          1H2         G  22   1.488 -24.477  -1.515
  246   2H2     G  22          2H2         G  22   1.028 -24.157  -3.181
  247    H3T    G  22           H3T        G  22  -3.979 -23.392  -6.952
  248   1H2*    G  22          1H2'        G  22  -5.447 -25.640  -4.529
  249   2H2*    G  22          2H2'        G  22  -4.061 -26.048  -5.618
  250   1H1   BPI  25          H1        BPH   1  -7.698  -9.712   7.739
  251    H2   BPI  25           H2       BPH   1  -8.410  -7.479   9.893
  252   2HO   BPI  25          HO2       BPH   1  -9.907  -8.412   7.631
  253    H3   BPI  25           H3       BPH   1 -10.051  -9.043  10.757
  254   3HO   BPI  25          HO3       BPH   1 -10.460 -10.922   9.572
  255    H4   BPI  25           H4       BPH   1  -8.485 -10.182  11.884
  256   4HO   BPI  25          HO4       BPH   1  -8.133  -8.028  12.336
  257    H5   BPI  25           H5       BPH   1  -6.344 -11.197  12.284
  258    H6   BPI  25           H6       BPH   1  -4.180 -11.910  11.467
  259    H7   BPI  25           H7       BPH   1  -2.330 -11.677   9.859
  260    H8   BPI  25           H8       BPH   1  -1.389 -10.435   7.951
  261    H9   BPI  25           H9       BPH   1  -1.785  -9.840   5.521
  262    H10  BPI  25           H10      BPH   1  -3.399  -9.527   3.635
  263    H11  BPI  25           H11      BPH   1  -5.952  -9.835   4.179
  264    H12  BPI  25           H12      BPH   1  -6.651 -10.380   6.216
  Start of MODEL    6
    1   1H5*    C   1          1H5'        C   1   5.619 -29.440   4.026
    2   2H5*    C   1          2H5'        C   1   5.527 -30.465   2.580
    3    H4*    C   1           H4'        C   1   5.505 -28.473   1.145
    4    H3*    C   1           H3'        C   1   5.818 -27.006   3.722
    5    H1*    C   1           H1'        C   1   3.298 -27.027   0.605
    6   1H4     C   1          1H4         C   1  -2.204 -25.224   3.073
    7   2H4     C   1          2H4         C   1  -1.631 -25.352   4.729
    8    H5     C   1           H5         C   1   0.672 -26.307   5.238
    9    H6     C   1           H6         C   1   2.744 -26.974   4.203
   10    H5T    C   1           H5T        C   1   7.364 -28.450   2.540
   11   1H2*    C   1          1H2'        C   1   4.184 -25.511   2.983
   12   2H2*    C   1          2H2'        C   1   4.850 -25.538   1.298
   13   1H5*    C   2          1H5'        C   2   6.255 -25.838  -0.516
   14   2H5*    C   2          2H5'        C   2   7.378 -24.557  -1.028
   15    H4*    C   2           H4'        C   2   5.140 -24.372  -2.103
   16    H3*    C   2           H3'        C   2   6.379 -22.181  -0.585
   17    H1*    C   2           H1'        C   2   2.769 -22.921  -1.269
   18   1H4     C   2          1H4         C   2  -0.589 -22.689   4.180
   19   2H4     C   2          2H4         C   2   0.821 -22.745   5.225
   20    H5     C   2           H5         C   2   3.282 -23.075   4.041
   21    H6     C   2           H6         C   2   4.263 -23.144   2.193
   22   1H2*    C   2          1H2'        C   2   4.760 -21.760   0.722
   23   2H2*    C   2          2H2'        C   2   4.026 -21.040  -0.722
   24   1H5*    A   3          1H5'        A   3   1.374 -22.463  -3.592
   25   2H5*    A   3          2H5'        A   3   1.960 -21.307  -4.798
   26    H4*    A   3           H4'        A   3  -0.155 -20.670  -4.032
   27    H3*    A   3           H3'        A   3   2.106 -18.903  -3.685
   28    H1*    A   3           H1'        A   3  -1.258 -19.016  -1.915
   29    H8     A   3           H8         A   3   1.825 -19.441   0.364
   30   1H6     A   3          1H6         A   3  -2.148 -19.419   5.146
   31   2H6     A   3          2H6         A   3  -0.459 -19.411   4.682
   32    H2     A   3           H2         A   3  -4.493 -19.116   1.359
   33   1H2*    A   3          1H2'        A   3   1.544 -18.237  -1.538
   34   2H2*    A   3          2H2'        A   3   0.072 -17.475  -2.155
   35   1H5*    T   4          1H5'        T   4  -2.384 -17.683  -4.320
   36   2H5*    T   4          2H5'        T   4  -2.562 -16.194  -5.276
   37    H4*    T   4           H4'        T   4  -4.236 -16.263  -3.413
   38    H3*    T   4           H3'        T   4  -2.162 -14.161  -3.480
   39   1H2*    T   4          1H2'        T   4  -2.247 -13.933  -1.321
   40   2H2*    T   4          2H2'        T   4  -4.058 -13.709  -1.316
   41    H1*    T   4           H1'        T   4  -4.522 -15.818  -0.829
   42    H3     T   4           H3         T   4  -2.923 -16.476   3.369
   43   1H5M    T   4          H51         T   4   1.301 -16.665   0.284
   44   2H5M    T   4          H52         T   4   1.277 -14.923   0.582
   45   3H5M    T   4          H53         T   4   1.534 -16.060   1.936
   46    H6     T   4           H6         T   4  -0.962 -15.575  -0.868
   47   1H5*    C   5          1H5'        C   5  -7.044 -13.546  -3.094
   48   2H5*    C   5          2H5'        C   5  -7.849 -12.017  -3.440
   49    H4*    C   5           H4'        C   5  -7.814 -12.071  -1.141
   50    H3*    C   5           H3'        C   5  -5.466 -10.410  -1.865
   51    H1*    C   5           H1'        C   5  -6.787 -12.113   1.251
   52   1H4     C   5          1H4         C   5  -1.250 -13.158   4.179
   53   2H4     C   5          2H4         C   5  -0.297 -12.770   2.748
   54    H5     C   5           H5         C   5  -1.411 -11.854   0.718
   55    H6     C   5           H6         C   5  -3.698 -11.502  -0.318
   56   1H2*    C   5          1H2'        C   5  -5.128 -10.052   0.207
   57   2H2*    C   5          2H2'        C   5  -6.834 -10.089   0.734
   58   1H5*   +G   6          1H5'        G   6  -9.380 -11.097   0.189
   59   2H5*   +G   6          2H5'        G   6 -11.011 -10.455  -0.076
   60    H4*   +G   6           H4'        G   6 -10.473 -10.478   2.246
   61    H3*   +G   6           H3'        G   6 -11.043  -7.955   0.776
   62    H1*   +G   6           H1'        G   6  -9.140  -8.509   4.043
   63    H8    +G   6           H8         G   6  -7.230  -6.875   1.158
   64    H1    +G   6           H1         G   6  -4.580  -6.516   6.989
   65   1H2    +G   6          1H2         G   6  -6.053  -7.426   8.457
   66   1H2*   +G   6          1H2'        G   6  -9.413  -6.698   1.768
   67   2H2*   +G   6          2H2'        G   6 -10.272  -6.973   3.307
   68   1H5*    C   7          1H5'        C   7 -12.787  -8.985   5.055
   69   2H5*    C   7          2H5'        C   7 -14.238  -8.345   5.837
   70    H4*    C   7           H4'        C   7 -12.432  -7.554   7.032
   71    H3*    C   7           H3'        C   7 -13.990  -5.568   5.553
   72    H1*    C   7           H1'        C   7 -10.514  -5.806   7.413
   73   1H4     C   7          1H4         C   7  -5.449  -3.108   4.847
   74   2H4     C   7          2H4         C   7  -6.198  -3.017   3.257
   75    H5     C   7           H5         C   7  -8.519  -3.857   2.867
   76    H6     C   7           H6         C   7 -10.436  -4.871   3.963
   77   1H2*    C   7          1H2'        C   7 -11.915  -4.257   5.304
   78   2H2*    C   7          2H2'        C   7 -11.951  -4.116   7.088
   79   1H5*    T   8          1H5'        T   8 -12.263  -5.792   9.889
   80   2H5*    T   8          2H5'        T   8 -13.520  -5.138  10.970
   81    H4*    T   8           H4'        T   8 -11.261  -4.797  12.010
   82    H3*    T   8           H3'        T   8 -13.062  -2.740  11.600
   83   1H2*    T   8          1H2'        T   8 -11.547  -1.712  10.194
   84   2H2*    T   8          2H2'        T   8 -10.696  -1.166  11.675
   85    H1*    T   8           H1'        T   8  -9.279  -2.811  11.824
   86    H3     T   8           H3         T   8  -6.465  -0.770   8.663
   87   1H5M    T   8          H51         T   8 -11.234  -1.057   6.536
   88   2H5M    T   8          H52         T   8  -9.842  -1.084   5.420
   89   3H5M    T   8          H53         T   8 -10.588  -2.613   5.987
   90    H6     T   8           H6         T   8 -10.864  -2.588   8.723
   91   1H5*    A   9          1H5'        A   9 -10.537   0.302  13.266
   92   2H5*    A   9          2H5'        A   9  -9.389  -1.091  13.410
   93    H4*    A   9           H4'        A   9  -8.480   0.315  15.494
   94    H3*    A   9           H3'        A   9 -10.937   1.455  15.298
   95    H1*    A   9           H1'        A   9  -7.849   2.991  13.630
   96    H8     A   9           H8         A   9 -10.430   1.396  11.102
   97   1H6     A   9          1H6         A   9  -6.333   2.297   6.578
   98   2H6     A   9          2H6         A   9  -7.924   1.708   6.991
   99    H2     A   9           H2         A   9  -4.384   3.410  10.478
  100   1H2*    A   9          1H2'        A   9 -10.614   2.250  13.054
  101   2H2*    A   9          2H2'        A   9  -9.854   3.619  13.898
  102   1H5*    C  10          1H5'        C  10  -7.784   4.043  16.608
  103   2H5*    C  10          2H5'        C  10  -7.934   5.629  17.385
  104    H4*    C  10           H4'        C  10  -6.726   5.671  15.148
  105    H3*    C  10           H3'        C  10  -9.171   7.239  15.656
  106    H1*    C  10           H1'        C  10  -6.902   6.001  12.776
  107   1H4     C  10          1H4         C  10  -9.465   4.250   7.464
  108   2H4     C  10          2H4         C  10 -11.080   4.017   8.121
  109    H5     C  10           H5         C  10 -11.506   4.479  10.709
  110    H6     C  10           H6         C  10 -10.345   5.335  12.662
  111   1H2*    C  10          1H2'        C  10  -9.649   6.899  13.368
  112   2H2*    C  10          2H2'        C  10  -8.131   7.814  12.930
  113   1H5*    C  11          1H5'        C  11  -3.758   7.985  12.323
  114   2H5*    C  11          2H5'        C  11  -3.875   9.219  13.581
  115    H4*    C  11           H4'        C  11  -4.530  10.392  11.589
  116    H3*    C  11           H3'        C  11  -6.883   9.635  13.145
  117    H1*    C  11           H1'        C  11  -6.239  10.328   9.359
  118   1H4     C  11          1H4         C  11 -10.948   7.016   6.995
  119   2H4     C  11          2H4         C  11 -11.826   6.932   8.521
  120    H5     C  11           H5         C  11 -10.969   8.055  10.521
  121    H6     C  11           H6         C  11  -8.959   9.281  11.453
  122    H3T    C  11           H3T        C  11  -5.550  10.834  14.286
  123   1H2*    C  11          1H2'        C  11  -7.990  11.095  11.432
  124   2H2*    C  11          2H2'        C  11  -6.346  11.765  11.112
  125   1H5*    G  12          1H5'        G  12  -8.527   7.899  -3.607
  126   2H5*    G  12          2H5'        G  12  -8.466   9.668  -3.703
  127    H4*    G  12           H4'        G  12  -6.576   9.692  -2.126
  128    H3*    G  12           H3'        G  12  -6.431   6.848  -2.699
  129    H1*    G  12           H1'        G  12  -6.874   8.739   0.469
  130    H8     G  12           H8         G  12 -10.294   6.943  -0.071
  131    H1     G  12           H1         G  12  -8.506   8.178   5.954
  132   1H2     G  12          1H2         G  12  -6.454   9.261   5.839
  133   2H2     G  12          2H2         G  12  -5.597   9.292   4.288
  134    H5T    G  12           H5T        G  12  -6.062   8.427  -4.083
  135   1H2*    G  12          1H2'        G  12  -7.966   6.399  -1.034
  136   2H2*    G  12          2H2'        G  12  -6.478   6.420  -0.020
  137   1H5*    G  13          1H5'        G  13  -4.149  11.020   1.461
  138   2H5*    G  13          2H5'        G  13  -2.733  10.536   0.522
  139    H4*    G  13           H4'        G  13  -2.424  10.124   3.094
  140    H3*    G  13           H3'        G  13  -1.736   8.192   1.165
  141    H1*    G  13           H1'        G  13  -2.833   7.887   4.583
  142    H8     G  13           H8         G  13  -5.420   6.363   2.202
  143    H1     G  13           H1         G  13  -6.813   5.339   8.351
  144   1H2     G  13          1H2         G  13  -5.237   6.457   9.614
  145   2H2     G  13          2H2         G  13  -3.915   7.335   8.855
  146   1H2*    G  13          1H2'        G  13  -3.286   6.647   2.056
  147   2H2*    G  13          2H2'        G  13  -2.108   6.580   3.366
  148   1H5*    T  14          1H5'        T  14   0.724   9.060   5.635
  149   2H5*    T  14          2H5'        T  14   2.444   8.657   5.732
  150    H4*    T  14           H4'        T  14   1.396   7.201   7.275
  151    H3*    T  14           H3'        T  14   2.319   5.931   4.870
  152   1H2*    T  14          1H2'        T  14   0.821   4.365   5.011
  153   2H2*    T  14          2H2'        T  14   1.418   3.939   6.688
  154    H1*    T  14           H1'        T  14  -0.064   5.111   7.742
  155    H3     T  14           H3         T  14  -4.198   3.309   7.590
  156   1H5M    T  14          H51         T  14  -2.356   3.040   2.655
  157   2H5M    T  14          H52         T  14  -4.133   3.112   2.908
  158   3H5M    T  14          H53         T  14  -3.201   4.584   2.609
  159    H6     T  14           H6         T  14  -1.057   4.698   4.244
  160   1H5*    A  15          1H5'        A  15   1.371   5.284  10.365
  161   2H5*    A  15          2H5'        A  15   2.877   4.587  10.993
  162    H4*    A  15           H4'        A  15   0.892   3.242  11.642
  163    H3*    A  15           H3'        A  15   3.071   2.041  10.100
  164    H1*    A  15           H1'        A  15  -0.523   1.160  10.716
  165    H8     A  15           H8         A  15   0.405   1.281   7.018
  166   1H6     A  15          1H6         A  15  -5.573  -0.412   6.180
  167   2H6     A  15          2H6         A  15  -4.057  -0.142   5.338
  168    H2     A  15           H2         A  15  -4.752   0.248  10.548
  169   1H2*    A  15          1H2'        A  15   1.646   0.717   8.866
  170   2H2*    A  15          2H2'        A  15   0.967  -0.026  10.286
  171   1H5*    G  16          1H5'        G  16  -0.059   0.022  13.616
  172   2H5*    G  16          2H5'        G  16   1.078  -1.057  14.436
  173    H4*    G  16           H4'        G  16  -1.051  -2.224  14.252
  174    H3*    G  16           H3'        G  16   1.387  -3.244  13.239
  175    H1*    G  16           H1'        G  16  -1.917  -3.951  12.068
  176    H8     G  16           H8         G  16  -0.139  -2.108   9.174
  177    H1     G  16           H1         G  16  -6.062  -3.953   7.593
  178   1H2     G  16          1H2         G  16  -7.094  -4.806   9.348
  179   2H2     G  16          2H2         G  16  -6.314  -4.933  10.924
  180   1H2*    G  16          1H2'        G  16   0.690  -2.913  11.085
  181   2H2*    G  16          2H2'        G  16   0.177  -4.620  11.349
  182   1H5*    C  17          1H5'        C  17  -1.808  -6.104  15.087
  183   2H5*    C  17          2H5'        C  17  -1.271  -7.678  15.726
  184    H4*    C  17           H4'        C  17  -3.486  -7.852  14.599
  185    H3*    C  17           H3'        C  17  -1.446  -9.571  14.314
  186    H1*    C  17           H1'        C  17  -3.800  -8.402  11.669
  187   1H4     C  17          1H4         C  17  -2.477  -5.366   6.204
  188   2H4     C  17          2H4         C  17  -0.808  -5.131   6.667
  189    H5     C  17           H5         C  17   0.116  -5.980   8.703
  190    H6     C  17           H6         C  17  -0.430  -7.089  10.892
  191   1H2*    C  17          1H2'        C  17  -0.845  -8.465  12.395
  192   2H2*    C  17          2H2'        C  17  -1.702  -9.919  11.654
  193   1H5*    G  18          1H5'        G  18  -5.879 -12.026  13.751
  194   2H5*    G  18          2H5'        G  18  -5.786 -13.232  15.046
  195    H4*    G  18           H4'        G  18  -6.685 -14.118  12.953
  196    H3*    G  18           H3'        G  18  -4.358 -15.315  14.226
  197    H1*    G  18           H1'        G  18  -5.708 -15.112  10.505
  198    H8     G  18           H8         G  18  -1.883 -14.114  10.954
  199    H1     G  18           H1         G  18  -4.119 -13.530   5.021
  200   1H2     G  18          1H2         G  18  -6.302 -13.830   4.968
  201   2H2     G  18          2H2         G  18  -7.203 -14.435   6.368
  202   1H2*    G  18          1H2'        G  18  -3.217 -15.615  12.257
  203   2H2*    G  18          2H2'        G  18  -4.408 -16.797  11.748
  204   1H5*    A  19          1H5'        A  19  -9.264 -14.944  10.866
  205   2H5*    A  19          2H5'        A  19  -9.885 -16.235  11.905
  206    H4*    A  19           H4'        A  19 -10.014 -16.758   9.461
  207    H3*    A  19           H3'        A  19  -8.558 -18.635  11.236
  208    H1*    A  19           H1'        A  19  -8.094 -17.632   7.361
  209    H8     A  19           H8         A  19  -5.372 -18.549   9.967
  210   1H6     A  19          1H6         A  19  -1.457 -17.062   5.369
  211   2H6     A  19          2H6         A  19  -1.562 -17.606   7.034
  212    H2     A  19           H2         A  19  -5.630 -16.268   3.997
  213   1H2*    A  19          1H2'        A  19  -7.404 -19.533   9.546
  214   2H2*    A  19          2H2'        A  19  -8.797 -19.485   8.456
  215   1H5*    T  20          1H5'        T  20 -10.814 -18.341   7.877
  216   2H5*    T  20          2H5'        T  20 -12.250 -19.334   7.484
  217    H4*    T  20           H4'        T  20 -11.060 -18.567   5.416
  218    H3*    T  20           H3'        T  20 -11.666 -21.271   6.020
  219   1H2*    T  20          1H2'        T  20  -9.429 -22.045   5.690
  220   2H2*    T  20          2H2'        T  20  -9.956 -21.763   4.023
  221    H1*    T  20           H1'        T  20  -8.925 -19.661   3.854
  222    H3     T  20           H3         T  20  -4.375 -19.626   4.222
  223   1H5M    T  20          H51         T  20  -6.069 -22.740   8.086
  224   2H5M    T  20          H52         T  20  -4.549 -21.843   8.361
  225   3H5M    T  20          H53         T  20  -6.109 -21.181   8.919
  226    H6     T  20           H6         T  20  -7.920 -21.213   6.990
  227   1H5*    G  21          1H5'        G  21  -9.867 -18.636   0.720
  228   2H5*    G  21          2H5'        G  21 -11.140 -19.688   0.081
  229    H4*    G  21           H4'        G  21  -9.130 -20.077  -1.186
  230    H3*    G  21           H3'        G  21 -10.509 -22.137  -0.036
  231    H1*    G  21           H1'        G  21  -6.964 -22.090  -0.667
  232    H8     G  21           H8         G  21  -7.387 -22.025   2.980
  233    H1     G  21           H1         G  21  -1.265 -22.389   1.260
  234   1H2     G  21          1H2         G  21  -1.134 -22.072  -0.996
  235   2H2     G  21          2H2         G  21  -2.592 -21.874  -1.965
  236   1H2*    G  21          1H2'        G  21  -8.751 -22.456   1.550
  237   2H2*    G  21          2H2'        G  21  -8.127 -23.535   0.263
  238   1H5*    G  22          1H5'        G  22  -8.062 -21.940  -4.063
  239   2H5*    G  22          2H5'        G  22  -8.928 -23.004  -5.192
  240    H4*    G  22           H4'        G  22  -6.650 -22.430  -5.988
  241    H3*    G  22           H3'        G  22  -7.535 -24.953  -6.355
  242    H1*    G  22           H1'        G  22  -4.121 -24.494  -4.639
  243    H8     G  22           H8         G  22  -6.986 -24.474  -2.054
  244    H1     G  22           H1         G  22  -1.159 -25.332   0.434
  245   1H2     G  22          1H2         G  22   0.352 -25.299  -1.254
  246   2H2     G  22          2H2         G  22  -0.126 -24.923  -2.903
  247    H3T    G  22           H3T        G  22  -5.015 -23.718  -6.507
  248   1H2*    G  22          1H2'        G  22  -6.853 -25.536  -3.991
  249   2H2*    G  22          2H2'        G  22  -5.598 -26.230  -5.090
  250   1H1   BPI  25          H1        BPH   1  -7.500  -9.743   7.355
  251    H2   BPI  25           H2       BPH   1  -8.531  -7.718   9.552
  252   2HO   BPI  25          HO2       BPH   1 -10.231  -8.170   7.601
  253    H3   BPI  25           H3       BPH   1 -10.003  -9.486  10.212
  254   3HO   BPI  25          HO3       BPH   1  -9.257 -11.553   8.822
  255    H4   BPI  25           H4       BPH   1  -8.378 -10.499  11.408
  256   4HO   BPI  25          HO4       BPH   1  -7.612  -8.661  12.211
  257    H5   BPI  25           H5       BPH   1  -6.120 -11.227  11.919
  258    H6   BPI  25           H6       BPH   1  -3.913 -11.809  11.120
  259    H7   BPI  25           H7       BPH   1  -2.060 -11.503   9.480
  260    H8   BPI  25           H8       BPH   1  -1.189 -10.206   7.616
  261    H9   BPI  25           H9       BPH   1  -1.601  -9.619   5.181
  262    H10  BPI  25           H10      BPH   1  -3.226  -9.391   3.283
  263    H11  BPI  25           H11      BPH   1  -5.745  -9.855   3.808
  264    H12  BPI  25           H12      BPH   1  -6.450 -10.370   5.855
  Start of MODEL    7
    1   1H5*    C   1          1H5'        C   1   7.729 -29.137   2.502
    2   2H5*    C   1          2H5'        C   1   6.537 -28.991   3.775
    3    H4*    C   1           H4'        C   1   6.201 -28.337   0.808
    4    H3*    C   1           H3'        C   1   6.613 -26.558   3.166
    5    H1*    C   1           H1'        C   1   3.864 -27.032   0.269
    6   1H4     C   1          1H4         C   1  -1.500 -25.153   2.953
    7   2H4     C   1          2H4         C   1  -0.834 -25.178   4.579
    8    H5     C   1           H5         C   1   1.539 -26.100   4.999
    9    H6     C   1           H6         C   1   3.526 -26.787   3.876
   10    H5T    C   1           H5T        C   1   5.227 -30.450   2.426
   11   1H2*    C   1          1H2'        C   1   4.790 -25.289   2.476
   12   2H2*    C   1          2H2'        C   1   5.352 -25.362   0.758
   13   1H5*    C   2          1H5'        C   2   6.464 -25.490  -1.244
   14   2H5*    C   2          2H5'        C   2   7.602 -24.219  -1.774
   15    H4*    C   2           H4'        C   2   5.365 -23.930  -2.814
   16    H3*    C   2           H3'        C   2   6.691 -21.871  -1.252
   17    H1*    C   2           H1'        C   2   3.034 -22.462  -1.878
   18   1H4     C   2          1H4         C   2  -0.147 -22.459   3.736
   19   2H4     C   2          2H4         C   2   1.314 -22.592   4.702
   20    H5     C   2           H5         C   2   3.689 -22.958   3.405
   21    H6     C   2           H6         C   2   4.596 -22.969   1.515
   22   1H2*    C   2          1H2'        C   2   5.106 -21.519   0.131
   23   2H2*    C   2          2H2'        C   2   4.303 -20.673  -1.227
   24   1H5*    A   3          1H5'        A   3   3.116 -20.899  -4.136
   25   2H5*    A   3          2H5'        A   3   3.509 -19.439  -5.066
   26    H4*    A   3           H4'        A   3   1.205 -19.437  -4.541
   27    H3*    A   3           H3'        A   3   2.963 -17.343  -3.748
   28    H1*    A   3           H1'        A   3  -0.333 -18.380  -2.267
   29    H8     A   3           H8         A   3   2.548 -18.843   0.259
   30   1H6     A   3          1H6         A   3  -1.752 -19.618   4.609
   31   2H6     A   3          2H6         A   3  -0.051 -19.437   4.237
   32    H2     A   3           H2         A   3  -3.853 -19.048   0.635
   33   1H2*    A   3          1H2'        A   3   2.331 -17.350  -1.461
   34   2H2*    A   3          2H2'        A   3   0.788 -16.674  -2.000
   35   1H5*    T   4          1H5'        T   4  -1.599 -16.691  -5.287
   36   2H5*    T   4          2H5'        T   4  -2.233 -15.217  -6.075
   37    H4*    T   4           H4'        T   4  -3.532 -15.575  -4.156
   38    H3*    T   4           H3'        T   4  -1.632 -13.353  -3.814
   39   1H2*    T   4          1H2'        T   4  -2.054 -13.312  -1.685
   40   2H2*    T   4          2H2'        T   4  -3.851 -13.390  -1.828
   41    H1*    T   4           H1'        T   4  -3.937 -15.618  -1.612
   42    H3     T   4           H3         T   4  -2.789 -16.392   2.647
   43   1H5M    T   4          H51         T   4   1.625 -15.060   1.887
   44   2H5M    T   4          H52         T   4   1.755 -15.525   0.164
   45   3H5M    T   4          H53         T   4   1.320 -13.866   0.603
   46    H6     T   4           H6         T   4  -0.509 -14.749  -1.215
   47   1H5*    C   5          1H5'        C   5  -7.247 -14.055  -2.443
   48   2H5*    C   5          2H5'        C   5  -7.602 -12.463  -3.162
   49    H4*    C   5           H4'        C   5  -8.089 -12.395  -0.711
   50    H3*    C   5           H3'        C   5  -5.689 -10.850  -1.589
   51    H1*    C   5           H1'        C   5  -6.946 -12.279   1.730
   52   1H4     C   5          1H4         C   5  -1.308 -13.317   4.401
   53   2H4     C   5          2H4         C   5  -0.385 -12.893   2.955
   54    H5     C   5           H5         C   5  -1.578 -11.958   0.981
   55    H6     C   5           H6         C   5  -3.890 -11.628   0.016
   56   1H2*    C   5          1H2'        C   5  -5.382 -10.233   0.533
   57   2H2*    C   5          2H2'        C   5  -7.107 -10.345   0.980
   58   1H5*   +G   6          1H5'        G   6  -9.638 -11.340   0.485
   59   2H5*   +G   6          2H5'        G   6 -11.246 -10.640   0.262
   60    H4*   +G   6           H4'        G   6 -10.596 -10.549   2.506
   61    H3*   +G   6           H3'        G   6 -11.089  -8.064   0.938
   62    H1*   +G   6           H1'        G   6  -9.148  -8.585   4.195
   63    H8    +G   6           H8         G   6  -7.192  -7.078   1.282
   64    H1    +G   6           H1         G   6  -4.629  -6.659   7.141
   65   1H2    +G   6          1H2         G   6  -6.137  -7.466   8.587
   66   1H2*   +G   6          1H2'        G   6  -9.379  -6.838   1.870
   67   2H2*   +G   6          2H2'        G   6 -10.252  -7.042   3.431
   68   1H5*    C   7          1H5'        C   7 -12.730  -8.884   5.277
   69   2H5*    C   7          2H5'        C   7 -14.147  -8.163   6.089
   70    H4*    C   7           H4'        C   7 -12.279  -7.441   7.208
   71    H3*    C   7           H3'        C   7 -13.939  -5.466   5.881
   72    H1*    C   7           H1'        C   7 -10.382  -5.604   7.400
   73   1H4     C   7          1H4         C   7  -5.259  -3.179   4.765
   74   2H4     C   7          2H4         C   7  -5.973  -3.109   3.154
   75    H5     C   7           H5         C   7  -8.327  -3.935   2.766
   76    H6     C   7           H6         C   7 -10.254  -4.869   3.872
   77   1H2*    C   7          1H2'        C   7 -11.837  -4.357   5.092
   78   2H2*    C   7          2H2'        C   7 -11.735  -3.893   6.824
   79   1H5*    T   8          1H5'        T   8 -12.530  -5.866  10.445
   80   2H5*    T   8          2H5'        T   8 -13.409  -5.277  11.836
   81    H4*    T   8           H4'        T   8 -11.259  -4.291  12.087
   82    H3*    T   8           H3'        T   8 -13.266  -2.439  11.399
   83   1H2*    T   8          1H2'        T   8 -11.778  -1.474   9.990
   84   2H2*    T   8          2H2'        T   8 -10.834  -0.913  11.403
   85    H1*    T   8           H1'        T   8  -9.444  -2.551  11.501
   86    H3     T   8           H3         T   8  -6.571  -0.796   8.390
   87   1H5M    T   8          H51         T   8 -11.397  -0.638   6.309
   88   2H5M    T   8          H52         T   8 -10.087  -0.721   5.157
   89   3H5M    T   8          H53         T   8 -10.852  -2.223   5.643
   90    H6     T   8           H6         T   8 -11.120  -2.228   8.461
   91   1H5*    A   9          1H5'        A   9 -10.749   0.605  12.864
   92   2H5*    A   9          2H5'        A   9  -9.596  -0.706  13.220
   93    H4*    A   9           H4'        A   9  -8.791   0.894  15.176
   94    H3*    A   9           H3'        A   9 -11.217   2.046  14.807
   95    H1*    A   9           H1'        A   9  -8.160   3.344  13.064
   96    H8     A   9           H8         A   9 -10.595   1.591  10.494
   97   1H6     A   9          1H6         A   9  -6.163   2.140   6.212
   98   2H6     A   9          2H6         A   9  -7.776   1.575   6.538
   99    H2     A   9           H2         A   9  -4.455   3.387  10.174
  100   1H2*    A   9          1H2'        A   9 -10.869   2.391  12.428
  101   2H2*    A   9          2H2'        A   9 -10.313   3.903  13.023
  102   1H5*    C  10          1H5'        C  10  -7.484   4.340  16.056
  103   2H5*    C  10          2H5'        C  10  -7.203   5.939  16.769
  104    H4*    C  10           H4'        C  10  -6.429   6.020  14.476
  105    H3*    C  10           H3'        C  10  -8.806   7.586  15.144
  106    H1*    C  10           H1'        C  10  -6.699   6.433  12.134
  107   1H4     C  10          1H4         C  10  -8.998   4.335   6.868
  108   2H4     C  10          2H4         C  10 -10.659   4.184   7.431
  109    H5     C  10           H5         C  10 -11.191   4.775   9.940
  110    H6     C  10           H6         C  10 -10.101   5.729  11.937
  111   1H2*    C  10          1H2'        C  10  -9.435   7.089  12.911
  112   2H2*    C  10          2H2'        C  10  -8.044   8.144  12.348
  113   1H5*    C  11          1H5'        C  11  -3.457   8.464  11.793
  114   2H5*    C  11          2H5'        C  11  -3.629   9.664  13.083
  115    H4*    C  11           H4'        C  11  -4.461  10.753  11.147
  116    H3*    C  11           H3'        C  11  -6.773   9.819  12.725
  117    H1*    C  11           H1'        C  11  -6.239  10.526   8.954
  118   1H4     C  11          1H4         C  11 -10.747   6.823   6.839
  119   2H4     C  11          2H4         C  11 -11.782   7.113   8.231
  120    H5     C  11           H5         C  11 -10.977   8.434  10.169
  121    H6     C  11           H6         C  11  -9.011   9.686  11.059
  122    H3T    C  11           H3T        C  11  -5.408  11.083  13.889
  123   1H2*    C  11          1H2'        C  11  -7.901  11.380  11.063
  124   2H2*    C  11          2H2'        C  11  -6.229  11.972  10.745
  125   1H5*    G  12          1H5'        G  12  -8.123   8.215  -4.596
  126   2H5*    G  12          2H5'        G  12  -9.080   7.079  -3.642
  127    H4*    G  12           H4'        G  12  -7.389   9.382  -2.537
  128    H3*    G  12           H3'        G  12  -6.474   6.777  -3.181
  129    H1*    G  12           H1'        G  12  -6.934   8.406   0.144
  130    H8     G  12           H8         G  12  -9.919   5.901  -0.095
  131    H1     G  12           H1         G  12  -8.298   7.837   5.779
  132   1H2     G  12          1H2         G  12  -6.526   9.243   5.593
  133   2H2     G  12          2H2         G  12  -5.759   9.531   4.026
  134    H5T    G  12           H5T        G  12 -10.138   9.039  -2.807
  135   1H2*    G  12          1H2'        G  12  -7.653   5.880  -1.299
  136   2H2*    G  12          2H2'        G  12  -6.085   6.278  -0.542
  137   1H5*    G  13          1H5'        G  13  -4.026   9.993  -0.214
  138   2H5*    G  13          2H5'        G  13  -2.337   9.790  -0.729
  139    H4*    G  13           H4'        G  13  -2.345  10.125   1.793
  140    H3*    G  13           H3'        G  13  -1.133   7.909   0.567
  141    H1*    G  13           H1'        G  13  -2.554   8.218   3.815
  142    H8     G  13           H8         G  13  -4.955   6.247   1.576
  143    H1     G  13           H1         G  13  -6.382   5.455   7.752
  144   1H2     G  13          1H2         G  13  -4.941   6.703   8.977
  145   2H2     G  13          2H2         G  13  -3.652   7.653   8.233
  146   1H2*    G  13          1H2'        G  13  -2.800   6.562   1.585
  147   2H2*    G  13          2H2'        G  13  -1.629   6.717   2.972
  148   1H5*    T  14          1H5'        T  14   0.224   8.835   5.255
  149   2H5*    T  14          2H5'        T  14   1.966   8.488   5.232
  150    H4*    T  14           H4'        T  14   0.970   7.249   7.192
  151    H3*    T  14           H3'        T  14   2.290   5.914   5.114
  152   1H2*    T  14          1H2'        T  14   0.707   4.371   5.004
  153   2H2*    T  14          2H2'        T  14   1.211   3.899   6.706
  154    H1*    T  14           H1'        T  14  -0.348   5.026   7.714
  155    H3     T  14           H3         T  14  -4.294   2.865   7.138
  156   1H5M    T  14          H51         T  14  -3.052   4.585   2.345
  157   2H5M    T  14          H52         T  14  -2.099   3.120   2.329
  158   3H5M    T  14          H53         T  14  -3.890   3.018   2.456
  159    H6     T  14           H6         T  14  -1.092   4.738   4.136
  160   1H5*    A  15          1H5'        A  15   1.786   5.094   9.715
  161   2H5*    A  15          2H5'        A  15   3.173   4.342  10.520
  162    H4*    A  15           H4'        A  15   1.044   3.316  11.364
  163    H3*    A  15           H3'        A  15   3.118   1.750  10.104
  164    H1*    A  15           H1'        A  15  -0.556   1.247  10.666
  165    H8     A  15           H8         A  15   0.397   1.190   6.981
  166   1H6     A  15          1H6         A  15  -5.551  -0.526   6.060
  167   2H6     A  15          2H6         A  15  -4.002  -0.289   5.269
  168    H2     A  15           H2         A  15  -4.814   0.224  10.448
  169   1H2*    A  15          1H2'        A  15   1.561   0.533   8.838
  170   2H2*    A  15          2H2'        A  15   0.838  -0.081  10.314
  171   1H5*    G  16          1H5'        G  16  -0.083  -0.010  13.640
  172   2H5*    G  16          2H5'        G  16   1.022  -1.084  14.520
  173    H4*    G  16           H4'        G  16  -1.120  -2.242  14.275
  174    H3*    G  16           H3'        G  16   1.341  -3.282  13.357
  175    H1*    G  16           H1'        G  16  -1.967  -3.939  12.113
  176    H8     G  16           H8         G  16  -0.045  -2.234   9.226
  177    H1     G  16           H1         G  16  -5.972  -3.999   7.565
  178   1H2     G  16          1H2         G  16  -7.060  -4.733   9.343
  179   2H2     G  16          2H2         G  16  -6.284  -4.882  10.924
  180   1H2*    G  16          1H2'        G  16   0.703  -3.019  11.166
  181   2H2*    G  16          2H2'        G  16   0.152  -4.704  11.482
  182   1H5*    C  17          1H5'        C  17  -1.930  -5.940  15.200
  183   2H5*    C  17          2H5'        C  17  -1.531  -7.528  15.894
  184    H4*    C  17           H4'        C  17  -3.757  -7.510  14.805
  185    H3*    C  17           H3'        C  17  -2.025  -9.515  14.619
  186    H1*    C  17           H1'        C  17  -4.104  -8.204  11.839
  187   1H4     C  17          1H4         C  17  -2.395  -5.634   6.308
  188   2H4     C  17          2H4         C  17  -0.723  -5.474   6.807
  189    H5     C  17           H5         C  17   0.079  -6.217   8.949
  190    H6     C  17           H6         C  17  -0.643  -7.160  11.194
  191   1H2*    C  17          1H2'        C  17  -1.184  -8.519  12.672
  192   2H2*    C  17          2H2'        C  17  -2.174  -9.899  11.965
  193   1H5*    G  18          1H5'        G  18  -3.367 -13.890  15.177
  194   2H5*    G  18          2H5'        G  18  -2.606 -14.054  13.589
  195    H4*    G  18           H4'        G  18  -5.592 -13.869  14.147
  196    H3*    G  18           H3'        G  18  -4.152 -16.160  14.338
  197    H1*    G  18           H1'        G  18  -5.801 -15.165  10.852
  198    H8     G  18           H8         G  18  -1.917 -14.202  11.157
  199    H1     G  18           H1         G  18  -4.251 -13.779   5.259
  200   1H2     G  18          1H2         G  18  -6.434 -14.115   5.257
  201   2H2     G  18          2H2         G  18  -7.283 -14.760   6.679
  202   1H2*    G  18          1H2'        G  18  -3.225 -16.090  12.177
  203   2H2*    G  18          2H2'        G  18  -4.659 -17.045  11.758
  204   1H5*    A  19          1H5'        A  19  -8.734 -15.137  10.692
  205   2H5*    A  19          2H5'        A  19  -9.606 -16.471  11.482
  206    H4*    A  19           H4'        A  19  -9.608 -16.868   9.121
  207    H3*    A  19           H3'        A  19  -8.090 -18.710  10.825
  208    H1*    A  19           H1'        A  19  -7.760 -17.671   6.962
  209    H8     A  19           H8         A  19  -4.875 -18.394   9.433
  210   1H6     A  19          1H6         A  19  -1.244 -16.915   4.622
  211   2H6     A  19          2H6         A  19  -1.290 -17.492   6.278
  212    H2     A  19           H2         A  19  -5.527 -16.386   3.391
  213   1H2*    A  19          1H2'        A  19  -6.886 -19.498   9.174
  214   2H2*    A  19          2H2'        A  19  -8.255 -19.613   8.050
  215   1H5*    T  20          1H5'        T  20 -10.322 -18.596   7.406
  216   2H5*    T  20          2H5'        T  20 -11.745 -19.647   7.158
  217    H4*    T  20           H4'        T  20 -10.722 -19.097   4.942
  218    H3*    T  20           H3'        T  20 -11.170 -21.674   5.906
  219   1H2*    T  20          1H2'        T  20  -8.890 -22.341   5.650
  220   2H2*    T  20          2H2'        T  20  -9.460 -22.384   3.970
  221    H1*    T  20           H1'        T  20  -8.586 -20.277   3.421
  222    H3     T  20           H3         T  20  -3.989 -19.791   3.558
  223   1H5M    T  20          H51         T  20  -3.872 -21.613   7.907
  224   2H5M    T  20          H52         T  20  -5.466 -21.004   8.456
  225   3H5M    T  20          H53         T  20  -5.337 -22.621   7.762
  226    H6     T  20           H6         T  20  -7.295 -21.333   6.659
  227   1H5*    G  21          1H5'        G  21 -10.498 -20.520   0.981
  228   2H5*    G  21          2H5'        G  21 -11.430 -21.792   0.180
  229    H4*    G  21           H4'        G  21  -9.418 -21.529  -1.115
  230    H3*    G  21           H3'        G  21 -10.072 -23.951  -0.011
  231    H1*    G  21           H1'        G  21  -6.725 -22.778  -0.821
  232    H8     G  21           H8         G  21  -7.043 -22.782   2.790
  233    H1     G  21           H1         G  21  -0.999 -22.215   0.880
  234   1H2     G  21          1H2         G  21  -0.988 -21.996  -1.365
  235   2H2     G  21          2H2         G  21  -2.496 -22.064  -2.287
  236   1H2*    G  21          1H2'        G  21  -8.184 -23.814   1.451
  237   2H2*    G  21          2H2'        G  21  -7.363 -24.591   0.071
  238   1H5*    G  22          1H5'        G  22  -7.978 -23.159  -4.258
  239   2H5*    G  22          2H5'        G  22  -8.657 -24.392  -5.340
  240    H4*    G  22           H4'        G  22  -6.482 -23.498  -6.205
  241    H3*    G  22           H3'        G  22  -7.003 -26.111  -6.413
  242    H1*    G  22           H1'        G  22  -3.688 -25.026  -4.772
  243    H8     G  22           H8         G  22  -6.501 -25.257  -2.145
  244    H1     G  22           H1         G  22  -0.587 -25.344   0.259
  245   1H2     G  22          1H2         G  22   0.891 -25.262  -1.481
  246   2H2     G  22          2H2         G  22   0.326 -25.000  -3.124
  247    H3T    G  22           H3T        G  22  -4.691 -24.542  -6.720
  248   1H2*    G  22          1H2'        G  22  -6.241 -26.424  -4.035
  249   2H2*    G  22          2H2'        G  22  -4.875 -27.014  -5.087
  250   1H1   BPI  25          H1        BPH   1  -7.633  -9.772   7.580
  251    H2   BPI  25           H2       BPH   1  -8.521  -7.601   9.727
  252   2HO   BPI  25          HO2       BPH   1  -9.778  -8.364   7.249
  253    H3   BPI  25           H3       BPH   1 -10.175  -9.221  10.402
  254   3HO   BPI  25          HO3       BPH   1 -10.758 -10.398   8.635
  255    H4   BPI  25           H4       BPH   1  -8.694 -10.352  11.616
  256   4HO   BPI  25          HO4       BPH   1  -7.153  -8.442  12.006
  257    H5   BPI  25           H5       BPH   1  -6.516 -11.252  12.222
  258    H6   BPI  25           H6       BPH   1  -4.282 -11.936  11.514
  259    H7   BPI  25           H7       BPH   1  -2.370 -11.740   9.974
  260    H8   BPI  25           H8       BPH   1  -1.365 -10.474   8.085
  261    H9   BPI  25           H9       BPH   1  -1.657  -9.923   5.640
  262    H10  BPI  25           H10      BPH   1  -3.214  -9.617   3.695
  263    H11  BPI  25           H11      BPH   1  -5.731  -9.940   4.112
  264    H12  BPI  25           H12      BPH   1  -6.541 -10.501   6.152