*HEADER    DNA, RNA                                07-AUG-02   1ME0              
*TITLE     CHIMERIC HAIRPIN WITH 2',5'-LINKED RNA LOOP AND DNA STEM              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 5'-D(*GP*GP*AP*C)-R(P*(U25)P*(U25)P*(C25)P*(G25)           
*COMPND   3 )-D(P*GP*TP*CP*C)-3';                                                
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE SYNTHESIS, PHOSPHORAMIDITE                
*SOURCE   4 CHEMISTRY                                                            
*KEYWDS    HAIRPIN, (2',5')-RNA, DNA                                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    A.Y.DENISOV, R.N.HANNOUSH, K.GEHRING, M.J.DAMHA                       
*REVDAT   1   19-AUG-03 1ME0    0                                                

!-----------------------------------------------------------------
! 25RNAloopDNAstem (constraints for X-PLOR)
!-----------------------------------------------------------------
!NOEconstraints=(56+36)+(43+1+7+9)= 152
!-----------------------------------------------------------------
!intrasugar (56)
!----------------------------------------------------------------- 

!H1'-H2'
assign (resid 1 and name h1') (resid 1 and name h2') 2.9 0.3 0.5 
assign (resid 2 and name h1') (resid 2 and name h2') 2.8 0.3 0.5 
assign (resid 3 and name h1') (resid 3 and name h2') 2.8 0.3 0.5 
assign (resid 4 and name h1') (resid 4 and name h2') 2.9 0.3 0.5 
assign (resid 5 and name h1') (resid 5 and name h2') 2.8 0.3 0.5 
assign (resid 6 and name h1') (resid 6 and name h2') 2.9 0.3 0.5 
assign (resid 7 and name h1') (resid 7 and name h2') 3.0 0.3 0.5 
assign (resid 8 and name h1') (resid 8 and name h2') 2.8 0.3 0.5 
assign (resid 9 and name h1') (resid 9 and name h2') 2.8 0.3 0.5
assign (resid 10 and name h1') (resid 10 and name h2') 2.9 0.3 0.5
assign (resid 11 and name h1') (resid 11 and name h2') 2.8 0.3 0.5
assign (resid 12 and name h1') (resid 12 and name h2') 2.8 0.3 0.5

!H1'-H2" 
assign (resid 1 and name h1') (resid 1 and name h2'') 2.3 0.2 0.2
assign (resid 2 and name h1') (resid 2 and name h2'') 2.4 0.2 0.2
assign (resid 3 and name h1') (resid 3 and name h2'') 2.4 0.2 0.2
assign (resid 4 and name h1') (resid 4 and name h2'') 2.4 0.2 0.2
assign (resid 9 and name h1') (resid 9 and name h2'') 2.4 0.2 0.2
assign (resid 10 and name h1') (resid 10 and name h2'') 2.4 0.2 0.2
assign (resid 11 and name h1') (resid 11 and name h2'') 2.3 0.2 0.2
assign (resid 12 and name h1') (resid 12 and name h2'') 2.3 0.2 0.2

!H1'-H3' 
assign (resid 2 and name h1') (resid 2 and name h3') 3.4 0.5 0.7 
assign (resid 3 and name h1') (resid 3 and name h3') 3.5 0.5 0.7 
assign (resid 4 and name h1') (resid 4 and name h3') 3.3 0.5 0.7 
assign (resid 6 and name h1') (resid 6 and name h3') 3.8 0.5 0.7 
assign (resid 7 and name h1') (resid 7 and name h3') 3.7 0.5 0.7 
assign (resid 8 and name h1') (resid 8 and name h3') 3.5 0.5 0.7 
assign (resid 9 and name h1') (resid 9 and name h3') 3.6 0.5 0.7 
assign (resid 12 and name h1') (resid 12 and name h3') 3.8 0.5 0.7

!H1'-H4'  
assign (resid 1 and name h1') (resid 1 and name h4') 3.0 0.3 0.5 
assign (resid 2 and name h1') (resid 2 and name h4') 3.0 0.3 0.5 
assign (resid 3 and name h1') (resid 3 and name h4') 3.0 0.3 0.5 
assign (resid 4 and name h1') (resid 4 and name h4') 2.8 0.3 0.5 
assign (resid 5 and name h1') (resid 5 and name h4') 2.8 0.3 0.5 
assign (resid 6 and name h1') (resid 6 and name h4') 3.0 0.3 0.5 
assign (resid 7 and name h1') (resid 7 and name h4') 2.8 0.3 0.5 
assign (resid 8 and name h1') (resid 8 and name h4') 3.1 0.3 0.5 
assign (resid 9 and name h1') (resid 9 and name h4') 3.3 0.3 0.5  
assign (resid 10 and name h1') (resid 10 and name h4') 2.8 0.3 0.5 
assign (resid 11 and name h1') (resid 11 and name h4') 2.8 0.3 0.5
assign (resid 12 and name h1') (resid 12 and name h4') 3.1 0.3 0.5

!H2'-H3'  
assign (resid 1 and name h2') (resid 1 and name h3') 2.6 0.2 0.2
assign (resid 2 and name h2') (resid 2 and name h3') 2.5 0.2 0.2
assign (resid 3 and name h2') (resid 3 and name h3') 2.5 0.2 0.2 
assign (resid 4 and name h2') (resid 4 and name h3') 2.5 0.2 0.2
assign (resid 9 and name h2') (resid 9 and name h3') 2.5 0.2 0.2
assign (resid 11 and name h2') (resid 11 and name h3') 2.5 0.2 0.2 

!H2''-H3'  
assign (resid 1 and name h2'') (resid 1 and name h3') 2.7 0.3 0.5
assign (resid 2 and name h2'') (resid 2 and name h3') 2.6 0.3 0.5
assign (resid 3 and name h2'') (resid 3 and name h3') 2.6 0.3 0.5
assign (resid 4 and name h2'') (resid 4 and name h3') 2.6 0.3 0.5
assign (resid 9 and name h2'') (resid 9 and name h3') 2.7 0.3 0.5

!H3'-H4' 
assign (resid 1 and name h3') (resid 1 and name h4') 2.5 0.3 0.5
assign (resid 2 and name h3') (resid 2 and name h4') 2.7 0.3 0.5
assign (resid 3 and name h3') (resid 3 and name h4') 2.7 0.3 0.5
assign (resid 8 and name h3') (resid 8 and name h4') 2.6 0.3 0.5
assign (resid 11 and name h3') (resid 11 and name h4') 2.7 0.3 0.5

!-------------------------------------------------------------------
!intraresidual base-to-sugar (36) 
!-------------------------------------------------------------------

!H1'-H6/H8 
assign (resid 1 and name h1') (resid 1 and name h8) 3.3 0.5 0.7
assign (resid 2 and name h1') (resid 2 and name h8) 3.4 0.5 0.7
assign (resid 3 and name h1') (resid 3 and name h8) 3.5 0.5 0.7
assign (resid 4 and name h1') (resid 4 and name h6) 3.4 0.5 0.7
assign (resid 5 and name h1') (resid 5 and name h6) 3.5 0.5 1.0
assign (resid 6 and name h1') (resid 6 and name h6) 3.6 1.5 1.5    
assign (resid 7 and name h1') (resid 7 and name h6) 3.4 1.5 1.5   
assign (resid 8 and name h1') (resid 8 and name h8) 3.3 1.5 1.5   
assign (resid 9 and name h1') (resid 9 and name h8) 3.5 0.5 0.7
assign (resid 10 and name h1') (resid 10 and name h6) 3.4 0.5 0.7
assign (resid 11 and name h1') (resid 11 and name h6) 3.4 0.5 0.7
assign (resid 12 and name h1') (resid 12 and name h6) 3.4 0.5 0.7

!H2'-H6/H8 
assign (resid 1 and name h2') (resid 1 and name h8) 2.3 0.2 0.2
assign (resid 2 and name h2') (resid 2 and name h8) 2.4 0.2 0.2
assign (resid 3 and name h2') (resid 3 and name h8) 2.4 0.2 0.2 
assign (resid 4 and name h2') (resid 4 and name h6) 2.4 0.2 0.2 
assign (resid 5 and name h2') (resid 5 and name h6) 2.6 0.3 0.5 
assign (resid 6 and name h2') (resid 6 and name h6) 2.4 0.2 0.2   
assign (resid 7 and name h2') (resid 7 and name h6) 2.5 0.2 0.2   
assign (resid 8 and name h2') (resid 8 and name h8) 2.8 0.3 0.5    
assign (resid 9 and name h2') (resid 9 and name h8) 2.4 0.2 0.2
assign (resid 10 and name h2') (resid 10 and name h6) 2.3 0.2 0.2
assign (resid 11 and name h2') (resid 11 and name h6) 2.4 0.2 0.2 
assign (resid 12 and name h2') (resid 12 and name h6) 2.4 0.2 0.2 


!H3'-H6/H8
assign (resid 1 and name h3') (resid 1 and name h8) 3.5 0.3 0.5 
assign (resid 2 and name h3') (resid 2 and name h8) 3.4 0.3 0.5  
assign (resid 3 and name h3') (resid 3 and name h8) 3.4 0.3 0.5 
assign (resid 4 and name h3') (resid 4 and name h6) 3.3 0.3 0.5 
assign (resid 5 and name h3') (resid 5 and name h6) 2.5 0.3 0.5 
assign (resid 6 and name h3') (resid 6 and name h6) 2.9 0.3 0.5   
assign (resid 7 and name h3') (resid 7 and name h6) 2.9 0.3 0.5     
assign (resid 8 and name h3') (resid 8 and name h8) 2.4 0.3 0.5   
assign (resid 9 and name h3') (resid 9 and name h8) 3.3 0.3 0.5
assign (resid 11 and name h3') (resid 11 and name h6) 3.1 0.3 0.5 
assign (resid 12 and name h3') (resid 12 and name h6) 2.9 0.3 0.7 

!other 
assign (resid 3 and name h2) (resid 3 and name h1') 4.5 0.5 0.7 

!------------------------------------------------------------------------
!sequential interresidual (43)
!------------------------------------------------------------------------

!H1'-H6/H8 
assign (resid 1 and name h1') (resid 2 and name h8)  3.5 0.5 0.7
assign (resid 2 and name h1') (resid 3 and name h8)  3.3 0.5 0.7
assign (resid 3 and name h1') (resid 4 and name h6)  3.4 0.5 0.7
assign (resid 4 and name h1') (resid 5 and name h6)  3.9 0.5 0.7
assign (resid 5 and name h1') (resid 6 and name h6)  3.9 0.5 0.7
assign (resid 6 and name h1') (resid 7 and name h6)  2.8 0.3 0.5
assign (resid 8 and name h1') (resid 9 and name h8)  3.6 0.5 0.7    
assign (resid 9 and name h1') (resid 10 and name h6) 3.3 0.5 0.7
assign (resid 10 and name h1') (resid 11 and name h6) 3.7 0.5 0.7
assign (resid 11 and name h1') (resid 12 and name h6) 4.0 0.5 0.7

!H2'-H6/H8 
assign (resid 1 and name h2') (resid 2 and name h8)  3.0 0.3 0.5 
assign (resid 2 and name h2') (resid 3 and name h8)  2.9 0.3 0.5
assign (resid 3 and name h2') (resid 4 and name h6)  3.0 0.3 0.5
assign (resid 4 and name h2') (resid 5 and name h6)  3.1 0.3 0.5
assign (resid 5 and name h2') (resid 6 and name h6)  3.0 0.3 0.5
assign (resid 7 and name h2') (resid 8 and name h8)  3.4 0.3 0.5     
assign (resid 8 and name h2') (resid 9 and name h8)  2.7 0.3 0.5     
assign (resid 9 and name h2') (resid 10 and name h6) 3.0 0.3 0.5
assign (resid 10 and name h2') (resid 11 and name h6) 2.8 0.3 0.5
assign (resid 11 and name h2') (resid 12 and name h6) 2.9 0.3 0.5

!H2''-H6/H8 
assign (resid 1 and name h2'') (resid 2 and name h8)  2.8 0.3 0.5    
assign (resid 2 and name h2'') (resid 3 and name h8)  2.8 0.3 0.5    
assign (resid 3 and name h2'') (resid 4 and name h6)  2.7 0.3 0.5
assign (resid 4 and name h2'') (resid 5 and name h6)  2.7 0.3 0.5
assign (resid 9 and name h2'') (resid 10 and name h6) 2.7 0.3 0.5
assign (resid 10 and name h2'') (resid 11 and name h6) 2.7 0.3 0.5
assign (resid 11 and name h2'') (resid 12 and name h6) 2.9 0.3 0.7

!H3'-H6/H8 
assign (resid 7 and name h3') (resid 8 and name h8) 3.5 0.5 0.7

!other 
assign (resid 3 and name h2) (resid 4 and name h1')  4.4 0.5 0.7
assign (resid 3 and name h8) (resid 4 and name h5)   3.5 0.5 0.7
assign (resid 3 and name h2'') (resid 4 and name h5) 3.5 0.5 0.7
assign (resid 3 and name h8) (resid 4 and name h6)   3.9 0.5 0.7

assign (resid 4 and name h6) (resid 5 and name h5)   3.9 0.5 0.7
assign (resid 4 and name h2') (resid 5 and name h5)  3.5 0.5 0.7

assign (resid 5 and name h2') (resid 6 and name h5)  3.5 0.5 0.7

assign (resid 6 and name h1') (resid 7 and name h5)  3.0 0.3 0.5    
assign (resid 6 and name h1') (resid 7 and name h3')  3.8 0.5 0.7    

assign (resid 9 and name h8) (resid 10 and (name h5#))  3.2 0.3 0.5
assign (resid 9 and name h2') (resid 10 and (name h5#)) 3.1 0.3 0.5
assign (resid 9 and name h2'') (resid 10 and (name h5#)) 3.1 0.3 0.5

assign (resid 10 and name h6) (resid 11 and name h5)  3.5 0.5 0.7
assign (resid 10 and name h2') (resid 11 and name h5) 3.5 0.5 0.7

assign (resid 11 and name h6) (resid 12 and name h5)  4.2 0.5 0.7
assign (resid 11 and name h2') (resid 12 and name h5) 3.7 0.5 0.7


!--------------------------------------------------------------------
!long-range interresidual (1)
!-------------------------------------------------------------------- 

assign (resid 3 and name h2) (resid 11 and name h1') 4.3 0.3 0.5  


!--------------------------------------------------------------------
!from imino (7) 
!-------------------------------------------------------------------- 

assign (resid 5 and name h3) (resid 8 and name h1)  3.0 0.3 0.5
assign (resid 6 and name h1') (resid 8 and name h1) 3.5 0.5 1.0
assign (resid 6 and name h1') (resid 5 and name h3) 4.0 0.5 1.0
assign (resid 6 and name h5') (resid 8 and name h1) 3.3 0.5 0.7
assign (resid 6 and name h4') (resid 8 and name h1) 3.5 0.5 1.0     
assign (resid 5 and name h3) (resid 9 and name h1)  3.8 0.5 1.0
assign (resid 8 and name h1) (resid 9 and name h1)  4.0 0.5 1.0


!---------------------------------------------------------------------
!H1'-H5' (9)
!---------------------------------------------------------------------

assign (resid 1 and name h1') (resid 2 and name h5') 3.3 0.3 0.5
assign (resid 2 and name h1') (resid 3 and name h5') 3.3 0.3 0.5
assign (resid 3 and name h1') (resid 4 and name h5') 3.1 0.3 0.5
assign (resid 4 and name h1') (resid 5 and name h5') 3.3 0.3 0.5
assign (resid 5 and name h1') (resid 6 and name h5') 3.1 0.3 0.5    
assign (resid 8 and name h1') (resid 9 and name h5') 2.7 0.3 0.5    
assign (resid 9 and name h1') (resid 10 and name h5') 3.2 0.3 0.5
assign (resid 10 and name h1') (resid 11 and name h5') 3.3 0.3 0.5
assign (resid 11 and name h1') (resid 12 and name h5') 3.3 0.3 0.5


!---------------------------------------------------------------------
!repulsions (not count)
!---------------------------------------------------------------------

assign (resid 7 and name h1') (resid 8 and name h8)  5.5 0.5 99.0

assign (resid 6 and name h5) (resid 7 and name h5) 5.5 0.5 99.0
assign (resid 6 and name h5) (resid 7 and name h6) 5.5 0.5 99.0
assign (resid 6 and name h6) (resid 7 and name h5) 5.5 0.5 99.0

assign (resid 7 and name h2') (resid 8 and name h5')  3.5 0.5 99.0
assign (resid 7 and name h2') (resid 8 and name h5'') 3.5 0.5 99.0

assign (resid 5 and name h1') (resid 6 and name h5'')  3.5 0.5 99.0    
assign (resid 6 and name h1') (resid 7 and name h5')   4.0 0.5 99.0    
assign (resid 6 and name h1') (resid 7 and name h5'')  4.0 0.5 99.0    
assign (resid 7 and name h1') (resid 8 and name h5')   3.5 0.5 99.0    
assign (resid 7 and name h1') (resid 8 and name h5'')  3.5 0.5 99.0    

assign (resid 1 and name h8) (resid 2 and name h8)     5.0 0.5 99.0
assign (resid 2 and name h8) (resid 3 and name h8)     5.0 0.5 99.0
assign (resid 4 and name h6) (resid 5 and name h6)     5.0 0.5 99.0
assign (resid 7 and name h6) (resid 8 and name h8)     5.0 0.5 99.0
assign (resid 8 and name h8) (resid 9 and name h8)     5.0 0.5 99.0
assign (resid 9 and name h8) (resid 10 and name h6)    5.0 0.5 99.0
assign (resid 10 and name h6) (resid 11 and name h6)   5.0 0.5 99.0
assign (resid 11 and name h6) (resid 12 and name h6)   5.0 0.5 99.0

assign (resid 7 and name h5) (resid 8 and name h1')    4.5 0.5 99.0
assign (resid 7 and name h5) (resid 6 and name h4')    4.5 0.5 99.0


!---------------------------------------------------------------------------
! constraints on TORSIONS = 94
!---------------------------------------------------------------------------
!torsion restraints on beta
assign  (resid  2 and name   p ) (resid  2 and name  o5')
        (resid  2 and name  c5') (resid  2 and name  c4') 1.0 180.0 40.0 2
assign  (resid  3 and name   p ) (resid  3 and name  o5')
        (resid  3 and name  c5') (resid  3 and name  c4') 1.0 180.0 40.0 2
assign  (resid  4 and name   p ) (resid  4 and name  o5')
        (resid  4 and name  c5') (resid  4 and name  c4') 1.0 180.0 40.0 2

assign  (resid  5 and name   p ) (resid  5 and name  o5')
        (resid  5 and name  c5') (resid  5 and name  c4') 1.0 180.0 40.0 2
assign  (resid  6 and name   p ) (resid  6 and name  o5')
        (resid  6 and name  c5') (resid  6 and name  c4') 1.0 180.0 40.0 2
assign  (resid  7 and name   p ) (resid  7 and name  o5')
        (resid  7 and name  c5') (resid  7 and name  c4') 1.0 180.0 40.0 2
assign  (resid  8 and name   p ) (resid  8 and name  o5')
        (resid  8 and name  c5') (resid  8 and name  c4') 1.0 180.0 40.0 2

assign  (resid  9 and name   p ) (resid  9 and name  o5')                 
        (resid  9 and name  c5') (resid  9 and name  c4')  1.0 180.0 40.0 2
assign  (resid 10 and name   p ) (resid 10 and name  o5')
        (resid 10 and name  c5') (resid 10 and name  c4') 1.0 180.0 40.0 2
assign  (resid 11 and name   p ) (resid 11 and name  o5')
        (resid 11 and name  c5') (resid 11 and name  c4') 1.0 180.0 40.0 2
assign  (resid 12 and name   p ) (resid 12 and name  o5')
        (resid 12 and name  c5') (resid 12 and name  c4') 1.0 180.0 40.0 2

!torsion constraints on gamma
assign (resid 1 and name o5') (resid 1 and name c5')
       (resid 1 and name c4') (resid 1 and name c3')   1.0 60.0 60.0 2
assign (resid 2 and name o5') (resid 2 and name c5')
       (resid 2 and name c4') (resid 2 and name c3')   1.0 60.0 30.0 2
assign (resid 3 and name o5') (resid 3 and name c5')
       (resid 3 and name c4') (resid 3 and name c3')   1.0 60.0 30.0 2
assign (resid 4 and name o5') (resid 4 and name c5')
       (resid 4 and name c4') (resid 4 and name c3')   1.0 60.0 30.0 2

assign (resid 5 and name o5') (resid 5 and name c5')
       (resid 5 and name c4') (resid 5 and name c3')   1.0 60.0 40.0 2
assign (resid 6 and name o5') (resid 6 and name c5')
       (resid 6 and name c4') (resid 6 and name c3')   1.0 60.0 40.0 2
assign (resid 7 and name o5') (resid 7 and name c5')
       (resid 7 and name c4') (resid 7 and name c3')   1.0 60.0 40.0 2
assign (resid 8 and name o5') (resid 8 and name c5')
       (resid 8 and name c4') (resid 8 and name c3')   1.0 60.0 40.0 2

assign (resid 9 and name o5') (resid 9 and name c5')
       (resid 9 and name c4') (resid 9 and name c3')     1.0 60.0 30.0 2       
assign (resid 10 and name o5') (resid 10 and name c5')
       (resid 10 and name c4') (resid 10 and name c3')   1.0 60.0 30.0 2
assign (resid 11 and name o5') (resid 11 and name c5')
       (resid 11 and name c4') (resid 11 and name c3')   1.0 60.0 30.0 2
assign (resid 12 and name o5') (resid 12 and name c5')
       (resid 12 and name c4') (resid 12 and name c3')   1.0 60.0 30.0 2

!torsion restraints on epsilon
assign  (resid  1 and name  c4') (resid  1 and name  c3')
        (resid  1 and name  o3') (resid  2 and name   p ) 1.0 170.0 40.0 2
assign  (resid  2 and name  c4') (resid  2 and name  c3')
        (resid  2 and name  o3') (resid  3 and name   p ) 1.0 170.0 40.0 2
assign  (resid  3 and name  c4') (resid  3 and name  c3')
        (resid  3 and name  o3') (resid  4 and name   p ) 1.0 170.0 40.0 2
assign  (resid  4 and name  c4') (resid  4 and name  c3')
        (resid  4 and name  o3') (resid  5 and name   p ) 1.0 170.0 40.0 2

assign  (resid  5 and name  H2') (resid  5 and name  c2')
        (resid  5 and name  o2') (resid  6 and name   p ) 1.0 0.0 50.0 2
assign  (resid  6 and name  H2') (resid  6 and name  c2')
        (resid  6 and name  o2') (resid  7 and name   p ) 1.0 0.0 50.0 2
assign  (resid  7 and name  H2') (resid  7 and name  c2')
        (resid  7 and name  o2') (resid  8 and name   p ) 1.0 0.0 50.0 2
assign  (resid  8 and name  H2') (resid  8 and name  c2')
        (resid  8 and name  o2') (resid  9 and name   p ) 1.0 0.0 50.0 2

assign  (resid  9 and name  c4') (resid  9 and name  c3')
        (resid  9 and name  o3') (resid 10 and name   p ) 1.0 170.0 40.0 2
assign  (resid 10 and name  c4') (resid 10 and name  c3')
        (resid 10 and name  o3') (resid 11 and name   p ) 1.0 170.0 40.0 2
assign  (resid 11 and name  c4') (resid 11 and name  c3')
        (resid 11 and name  o3') (resid 12 and name   p ) 1.0 170.0 40.0 2




!constraints on sugar v0, v1, v2, v3 and v4 torsion angles 
!Calculated from this formula: vj = vmax*cos(P+(j-2)*144), 
!where j=0,1,2,3,4 and P is the pseudorotational angle and vmax=37
!P are 150, 150, 150, 150, 20, 150, 150, 20, 150, 150, 150, 150 respectively

!v0
assign (resid 1 and name c4') (resid 1 and name o4')   
       (resid 1 and name c1') (resid 1 and name c2')   2.0 -27.5 10.0 2
assign (resid 2 and name c4') (resid 2 and name o4')
       (resid 2 and name c1') (resid 2 and name c2')   2.0 -27.5 10.0 2
assign (resid 3 and name c4') (resid 3 and name o4')
       (resid 3 and name c1') (resid 3 and name c2')   2.0 -27.5 10.0 2
assign (resid 4 and name c4') (resid 4 and name o4')
       (resid 4 and name c1') (resid 4 and name c2')   2.0 -27.5 10.0 2
assign (resid 5 and name c4') (resid 5 and name o4')
       (resid 5 and name c1') (resid 5 and name c2')   2.0 -1.3 10.0 2
assign (resid 6 and name c4') (resid 6 and name o4')
       (resid 6 and name c1') (resid 6 and name c2')   2.0 -27.5 10.0 2
assign (resid 7 and name c4') (resid 7 and name o4')
       (resid 7 and name c1') (resid 7 and name c2')   2.0 -27.5 10.0 2
assign (resid 8 and name c4') (resid 8 and name o4')
       (resid 8 and name c1') (resid 8 and name c2')   2.0 -1.3 10.0 2
assign (resid 9 and name c4') (resid 9 and name o4')
       (resid 9 and name c1') (resid 9 and name c2')   2.0 -27.5 10.0 2
assign (resid 10 and name c4') (resid 10 and name o4')
       (resid 10 and name c1') (resid 10 and name c2') 2.0 -27.5 10.0 2
assign (resid 11 and name c4') (resid 11 and name o4')
       (resid 11 and name c1') (resid 11 and name c2') 2.0 -27.5 10.0 2
assign (resid 12 and name c4') (resid 12 and name o4')
       (resid 12 and name c1') (resid 12 and name c2') 2.0 -27.5 10.0 2
       
!v1
assign (resid 1 and name o4') (resid 1 and name c1') 
       (resid 1 and name c2') (resid 1 and name c3')   2.0 36.8 10.0 2
assign (resid 2 and name o4') (resid 2 and name c1')
       (resid 2 and name c2') (resid 2 and name c3')   2.0 36.8 10.0 2
assign (resid 3 and name o4') (resid 3 and name c1')
       (resid 3 and name c2') (resid 3 and name c3')   2.0 36.8 10.0 2
assign (resid 4 and name o4') (resid 4 and name c1')
       (resid 4 and name c2') (resid 4 and name c3')   2.0 36.8 10.0 2
assign (resid 5 and name o4') (resid 5 and name c1')
       (resid 5 and name c2') (resid 5 and name c3')   2.0 -20.7 10.0 2 
assign (resid 6 and name o4') (resid 6 and name c1')
       (resid 6 and name c2') (resid 6 and name c3')   2.0 36.8 10.0 2
assign (resid 7 and name o4') (resid 7 and name c1')
       (resid 7 and name c2') (resid 7 and name c3')   2.0 36.8 10.0 2
assign (resid 8 and name o4') (resid 8 and name c1')
       (resid 8 and name c2') (resid 8 and name c3')   2.0 -20.7 10.0 2
assign (resid 9 and name o4') (resid 9 and name c1')
       (resid 9 and name c2') (resid 9 and name c3')   2.0 36.8 10.0 2
assign (resid 10 and name o4') (resid 10 and name c1')
       (resid 10 and name c2') (resid 10 and name c3') 2.0 36.8 10.0 2
assign (resid 11 and name o4') (resid 11 and name c1')
       (resid 11 and name c2') (resid 11 and name c3') 2.0 36.8 10.0 2
assign (resid 12 and name o4') (resid 12 and name c1')
       (resid 12 and name c2') (resid 12 and name c3') 2.0 36.8 10.0 2

!v2
assign (resid 1 and name c1') (resid 1 and name c2')
       (resid 1 and name c3') (resid 1 and name c4')   2.0 -32.0 10.0 2
assign (resid 2 and name c1') (resid 2 and name c2')
       (resid 2 and name c3') (resid 2 and name c4')   2.0 -32.0 10.0 2
assign (resid 3 and name c1') (resid 3 and name c2')
       (resid 3 and name c3') (resid 3 and name c4')   2.0 -32.0 10.0 2
assign (resid 4 and name c1') (resid 4 and name c2')
       (resid 4 and name c3') (resid 4 and name c4')   2.0 -32.0 10.0 2
assign (resid 5 and name c1') (resid 5 and name c2')
       (resid 5 and name c3') (resid 5 and name c4')   2.0 34.8 10.0 2
assign (resid 6 and name c1') (resid 6 and name c2')
       (resid 6 and name c3') (resid 6 and name c4')   2.0 -32.0 10.0 2
assign (resid 7 and name c1') (resid 7 and name c2')
       (resid 7 and name c3') (resid 7 and name c4')   2.0 -32.0 10.0 2
assign (resid 8 and name c1') (resid 8 and name c2')
       (resid 8 and name c3') (resid 8 and name c4')   2.0 34.8 10.0 2
assign (resid 9 and name c1') (resid 9 and name c2')
       (resid 9 and name c3') (resid 9 and name c4')   2.0 -32.0 10.0 2
assign (resid 10 and name c1') (resid 10 and name c2')
       (resid 10 and name c3') (resid 10 and name c4') 2.0 -32.0 10.0 2
assign (resid 11 and name c1') (resid 11 and name c2')
       (resid 11 and name c3') (resid 11 and name c4') 2.0 -32.0 10.0 2
assign (resid 12 and name c1') (resid 12 and name c2')
       (resid 12 and name c3') (resid 12 and name c4') 2.0 -32.0 10.0 2 
       
!v3
assign (resid 1 and name c2') (resid 1 and name c3')
       (resid 1 and name c4') (resid 1 and name o4')   2.0 15.1 10.0 2
assign (resid 2 and name c2') (resid 2 and name c3')
       (resid 2 and name c4') (resid 2 and name o4')   2.0 15.1 10.0 2
assign (resid 3 and name c2') (resid 3 and name c3')
       (resid 3 and name c4') (resid 3 and name o4')   2.0 15.1 10.0 2
assign (resid 4 and name c2') (resid 4 and name c3')
       (resid 4 and name c4') (resid 4 and name o4')   2.0 15.1 10.0 2
assign (resid 5 and name c2') (resid 5 and name c3')
       (resid 5 and name c4') (resid 5 and name o4')   2.0 -35.6 10.0 2
assign (resid 6 and name c2') (resid 6 and name c3')
       (resid 6 and name c4') (resid 6 and name o4')   2.0 15.1 10.0 2
assign (resid 7 and name c2') (resid 7 and name c3')
       (resid 7 and name c4') (resid 7 and name o4')   2.0 15.1 10.0 2
assign (resid 8 and name c2') (resid 8 and name c3')
       (resid 8 and name c4') (resid 8 and name o4')   2.0 -35.6 10.0 2
assign (resid 9 and name c2') (resid 9 and name c3')
       (resid 9 and name c4') (resid 9 and name o4')   2.0 15.1 10.0 2
assign (resid 10 and name c2') (resid 10 and name c3')
       (resid 10 and name c4') (resid 10 and name o4') 2.0 15.1 10.0 2
assign (resid 11 and name c2') (resid 11 and name c3')
       (resid 11 and name c4') (resid 11 and name o4') 2.0 15.1 10.0 2
assign (resid 12 and name c2') (resid 12 and name c3')
       (resid 12 and name c4') (resid 12 and name o4') 2.0 15.1 10.0 2 

!v4
assign (resid 1 and name c3') (resid 1 and name c4')
       (resid 1 and name o4') (resid 1 and name c1')   2.0 7.7 10.0 2
assign (resid 2 and name c3') (resid 2 and name c4') 
       (resid 2 and name o4') (resid 2 and name c1')   2.0 7.7 10.0 2
assign (resid 3 and name c3') (resid 3 and name c4')
       (resid 3 and name o4') (resid 3 and name c1')   2.0 7.7 10.0 2
assign (resid 4 and name c3') (resid 4 and name c4')
       (resid 4 and name o4') (resid 4 and name c1')   2.0 7.7 10.0 2
assign (resid 5 and name c3') (resid 5 and name c4')
       (resid 5 and name o4') (resid 5 and name c1')   2.0 22.8 10.0 2 
assign (resid 6 and name c3') (resid 6 and name c4')
       (resid 6 and name o4') (resid 6 and name c1')   2.0 7.7 10.0 2
assign (resid 7 and name c3') (resid 7 and name c4')
       (resid 7 and name o4') (resid 7 and name c1')   2.0 7.7 10.0 2
assign (resid 8 and name c3') (resid 8 and name c4')
       (resid 8 and name o4') (resid 8 and name c1')   2.0 22.8 10.0 2
assign (resid 9 and name c3') (resid 9 and name c4')
       (resid 9 and name o4') (resid 9 and name c1')   2.0 7.7 10.0 2
assign (resid 10 and name c3') (resid 10 and name c4')
       (resid 10 and name o4') (resid 10 and name c1') 2.0 7.7 10.0 2
assign (resid 11 and name c3') (resid 11 and name c4')
       (resid 11 and name o4') (resid 11 and name c1') 2.0 7.7 10.0 2
assign (resid 12 and name c3') (resid 12 and name c4')
       (resid 12 and name o4') (resid 12 and name c1') 2.0 7.7 10.0 2

!------------------------------------------------------------------------


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   4.247 -11.840   6.341
    2   2H5*    G   1          2H5*        G   1   4.846 -12.215   4.701
    3    H4*    G   1           H4*        G   1   2.369 -12.343   4.931
    4    H3*    G   1           H3*        G   1   3.788 -10.856   2.974
    5    H1*    G   1           H1*        G   1   0.446  -9.727   4.652
    6    H8     G   1           H8         G   1   3.631  -7.692   5.531
    7    H1     G   1           H1         G   1  -1.921  -4.898   6.905
    8   1H2     G   1          1H2         G   1  -3.310  -7.795   5.581
    9   2H2     G   1          2H2         G   1  -3.593  -6.223   6.305
   10    H5T    G   1           H5T        G   1   4.435  -9.583   5.719
   11   1H2*    G   1          1H2*        G   1   3.036  -8.768   3.506
   12   2H2*    G   1          2H2*        G   1   1.510  -9.330   2.678
   13   1H5*    G   2          1H5*        G   2  -1.213 -11.449   2.903
   14   2H5*    G   2          2H5*        G   2  -1.372 -11.915   1.189
   15    H4*    G   2           H4*        G   2  -3.339 -10.696   2.020
   16    H3*    G   2           H3*        G   2  -1.734  -9.832  -0.199
   17    H1*    G   2           H1*        G   2  -3.713  -7.572   2.303
   18    H8     G   2           H8         G   2   0.144  -7.396   2.329
   19    H1     G   2           H1         G   2  -2.747  -2.296   4.780
   20   1H2     G   2          1H2         G   2  -5.683  -3.946   3.944
   21   2H2     G   2          2H2         G   2  -4.938  -2.519   4.637
   22   1H2*    G   2          1H2*        G   2  -1.364  -7.714   0.453
   23   2H2*    G   2          2H2*        G   2  -3.134  -7.465   0.102
   24   1H5*    A   3          1H5*        A   3  -6.094  -8.226   0.622
   25   2H5*    A   3          2H5*        A   3  -6.963  -8.293  -0.922
   26    H4*    A   3           H4*        A   3  -7.753  -6.407   0.427
   27    H3*    A   3           H3*        A   3  -6.754  -6.201  -2.238
   28    H1*    A   3           H1*        A   3  -6.361  -3.501   0.579
   29    H8     A   3           H8         A   3  -3.203  -5.294  -0.757
   30   1H6     A   3          1H6         A   3   0.110  -2.412   1.188
   31   2H6     A   3          2H6         A   3   0.022  -0.943   2.138
   32    H2     A   3           H2         A   3  -4.348  -0.062   2.726
   33   1H2*    A   3          1H2*        A   3  -5.143  -4.658  -1.899
   34   2H2*    A   3          2H2*        A   3  -6.540  -3.505  -1.692
   35   1H5*    C   4          1H5*        C   4  -9.227  -2.528  -0.348
   36   2H5*    C   4          2H5*        C   4 -10.251  -1.892  -1.650
   37    H4*    C   4           H4*        C   4  -9.350  -0.057  -0.305
   38    H3*    C   4           H3*        C   4  -8.988  -0.314  -3.144
   39    H1*    C   4           H1*        C   4  -6.611   1.344  -0.570
   40   1H4     C   4          1H4         C   4  -0.530  -0.433  -0.859
   41   2H4     C   4          2H4         C   4  -0.910  -1.806  -1.882
   42    H5     C   4           H5         C   4  -3.149  -2.357  -2.578
   43    H6     C   4           H6         C   4  -5.496  -1.690  -2.469
   44   1H2*    C   4          1H2*        C   4  -6.747  -0.126  -3.184
   45   2H2*    C   4          2H2*        C   4  -7.050   1.630  -2.801
   46   1H5*  U25   5          1H5*      U5P   5  -8.126   4.191  -1.095
   47   2H5*  U25   5          2H5*      U5P   5  -8.739   5.239  -2.390
   48    H4*  U25   5           H4*      U5P   5  -6.670   6.172  -1.528
   49    H3*  U25   5           H3*      U5P   5  -6.614   4.956  -4.273
   50    H2*  U25   5           H2*      U5P   5  -4.383   5.288  -4.535
   51    H1*  U25   5           H1*      U5P   5  -3.601   5.258  -1.813
   52    H3   U25   5           HN3      U5P   5  -0.927   1.858  -2.909
   53    H5   U25   5           H5       U5P   5  -4.523   0.817  -4.818
   54    H6   U25   5           H6       U5P   5  -5.491   2.882  -3.981
   55   3HO*  U25   5          *HO3      U5P   5  -6.351   7.619  -3.258
   56   1H5*  U25   6          1H5*      U5P   6  -1.632   7.565  -2.539
   57   2H5*  U25   6          2H5*      U5P   6  -1.135   8.982  -3.489
   58    H4*  U25   6           H4*      U5P   6   0.824   7.671  -2.793
   59    H3*  U25   6           H3*      U5P   6   0.205   8.443  -5.440
   60    H2*  U25   6           H2*      U5P   6   0.041   6.438  -6.415
   61    H1*  U25   6           H1*      U5P   6   1.822   4.986  -4.497
   62    H3   U25   6           HN3      U5P   6   0.311   1.098  -6.117
   63    H5   U25   6           H5       U5P   6  -3.007   3.640  -6.600
   64    H6   U25   6           H6       U5P   6  -1.697   5.435  -5.604
   65   3HO*  U25   6          *HO3      U5P   6   2.662   8.073  -5.530
   66   1H5*  C25   7          1H5*      C5P   7   3.545   3.769  -9.365
   67   2H5*  C25   7          2H5*      C5P   7   3.208   2.422  -8.258
   68    H4*  C25   7           H4*      C5P   7   5.605   2.606  -9.106
   69    H3*  C25   7           H3*      C5P   7   4.635   1.977  -6.501
   70    H2*  C25   7           H2*      C5P   7   5.645   3.570  -5.278
   71    H1*  C25   7           H1*      C5P   7   7.818   4.218  -7.220
   72   1H4   C25   7          1HN4      C5P   7   7.110   9.691  -4.059
   73   2H4   C25   7          2HN4      C5P   7   5.378   9.474  -3.964
   74    H5   C25   7           H5       C5P   7   4.237   7.553  -4.868
   75    H6   C25   7           H6       C5P   7   4.519   5.426  -6.045
   76   3HO*  C25   7          *HO3      C5P   7   7.266   1.449  -7.422
   77   1H5*  G25   8          1H5*      5GP   8   8.719   3.632  -3.813
   78   2H5*  G25   8          2H5*      5GP   8   9.387   2.733  -2.418
   79    H4*  G25   8           H4*      5GP   8   8.798   5.116  -1.927
   80    H3*  G25   8           H3*      5GP   8   7.366   2.822  -0.629
   81    H2*  G25   8           H2*      5GP   8   5.849   4.148   0.470
   82    H1*  G25   8           H1*      5GP   8   5.453   6.085  -1.420
   83    H8   G25   8           H8       5GP   8   5.703   2.388  -2.417
   84    H1   G25   8           HN1      5GP   8  -0.238   4.450  -1.498
   85   1H2   G25   8          1HN2      5GP   8   1.294   7.352  -0.354
   86   2H2   G25   8          2HN2      5GP   8  -0.199   6.497  -0.663
   87   3HO*  G25   8          *HO3      5GP   8   8.985   4.964   0.353
   88   1H5*    G   9          1H5*        G   9   4.840   7.911   1.008
   89   2H5*    G   9          2H5*        G   9   5.295   8.406   2.665
   90    H4*    G   9           H4*        G   9   2.908   8.768   2.227
   91    H3*    G   9           H3*        G   9   3.919   7.153   4.323
   92    H1*    G   9           H1*        G   9   0.653   6.346   2.309
   93    H8     G   9           H8         G   9   3.781   4.146   1.769
   94    H1     G   9           H1         G   9  -1.758   1.431   0.176
   95   1H2     G   9          1H2         G   9  -3.144   4.441   1.205
   96   2H2     G   9          2H2         G   9  -3.419   2.838   0.555
   97   1H2*    G   9          1H2*        G   9   2.989   5.185   3.764
   98   2H2*    G   9          2H2*        G   9   1.457   5.937   4.401
   99   1H5*    T  10          1H5*        T  10  -0.810   8.074   4.096
  100   2H5*    T  10          2H5*        T  10  -1.178   8.624   5.742
  101    H4*    T  10           H4*        T  10  -3.066   7.373   4.845
  102    H3*    T  10           H3*        T  10  -1.678   6.672   7.259
  103   1H2*    T  10          1H2*        T  10  -1.268   4.510   6.795
  104   2H2*    T  10          2H2*        T  10  -3.063   4.289   7.011
  105    H1*    T  10           H1*        T  10  -3.461   4.254   4.764
  106    H3     T  10           H3         T  10  -1.801   0.425   3.123
  107   1H5M    T  10          1H5M        T  10   2.275   2.551   5.658
  108   2H5M    T  10          2H5M        T  10   2.487   3.250   4.037
  109   3H5M    T  10          3H5M        T  10   2.549   1.487   4.257
  110    H6     T  10           H6         T  10   0.236   4.200   5.272
  111   1H5*    C  11          1H5*        C  11  -5.953   5.182   6.222
  112   2H5*    C  11          2H5*        C  11  -6.994   5.216   7.659
  113    H4*    C  11           H4*        C  11  -7.579   3.323   6.230
  114    H3*    C  11           H3*        C  11  -6.813   3.093   8.986
  115    H1*    C  11           H1*        C  11  -6.220   0.495   6.147
  116   1H4     C  11          1H4         C  11  -0.226  -1.556   5.765
  117   2H4     C  11          2H4         C  11   0.357  -0.257   6.790
  118    H5     C  11           H5         C  11  -1.094   1.439   7.725
  119    H6     C  11           H6         C  11  -3.407   2.234   7.877
  120   1H2*    C  11          1H2*        C  11  -5.209   1.530   8.766
  121   2H2*    C  11          2H2*        C  11  -6.586   0.404   8.380
  122   1H5*    C  12          1H5*        C  12  -8.970  -0.617   6.656
  123   2H5*    C  12          2H5*        C  12 -10.206  -1.095   7.836
  124    H4*    C  12           H4*        C  12  -9.351  -3.069   6.702
  125    H3*    C  12           H3*        C  12  -9.236  -2.699   9.549
  126    H1*    C  12           H1*        C  12  -6.719  -4.670   7.319
  127   1H4     C  12          1H4         C  12  -0.649  -3.023   8.121
  128   2H4     C  12          2H4         C  12  -1.080  -1.640   9.111
  129    H5     C  12           H5         C  12  -3.365  -1.044   9.624
  130    H6     C  12           H6         C  12  -5.711  -1.655   9.298
  131    H3T    C  12           H3T        C  12  -9.360  -5.038   7.907
  132   1H2*    C  12          1H2*        C  12  -7.062  -3.119   9.866
  133   2H2*    C  12          2H2*        C  12  -7.490  -4.846   9.463
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   5.060 -11.894   5.700
    2   2H5*    G   1          2H5*        G   1   5.389 -12.134   3.960
    3    H4*    G   1           H4*        G   1   3.013 -12.526   4.618
    4    H3*    G   1           H3*        G   1   3.928 -10.841   2.526
    5    H1*    G   1           H1*        G   1   0.840 -10.091   4.808
    6    H8     G   1           H8         G   1   3.997  -7.919   5.385
    7    H1     G   1           H1         G   1  -1.508  -5.315   7.238
    8   1H2     G   1          1H2         G   1  -2.915  -8.235   5.985
    9   2H2     G   1          2H2         G   1  -3.183  -6.681   6.754
   10    H5T    G   1           H5T        G   1   4.898  -9.599   5.164
   11   1H2*    G   1          1H2*        G   1   3.084  -8.860   3.264
   12   2H2*    G   1          2H2*        G   1   1.497  -9.558   2.697
   13   1H5*    G   2          1H5*        G   2  -1.003 -11.728   3.114
   14   2H5*    G   2          2H5*        G   2  -1.301 -12.235   1.429
   15    H4*    G   2           H4*        G   2  -3.245 -11.107   2.418
   16    H3*    G   2           H3*        G   2  -1.899 -10.182   0.059
   17    H1*    G   2           H1*        G   2  -3.736  -7.993   2.723
   18    H8     G   2           H8         G   2   0.101  -7.691   2.481
   19    H1     G   2           H1         G   2  -2.820  -2.670   5.030
   20   1H2     G   2          1H2         G   2  -5.734  -4.442   4.357
   21   2H2     G   2          2H2         G   2  -5.014  -2.978   5.000
   22   1H2*    G   2          1H2*        G   2  -1.557  -8.046   0.673
   23   2H2*    G   2          2H2*        G   2  -3.363  -7.870   0.480
   24   1H5*    A   3          1H5*        A   3  -6.272  -8.356   1.176
   25   2H5*    A   3          2H5*        A   3  -7.126  -8.577  -0.363
   26    H4*    A   3           H4*        A   3  -7.870  -6.513   0.679
   27    H3*    A   3           H3*        A   3  -6.685  -6.633  -1.920
   28    H1*    A   3           H1*        A   3  -6.402  -3.676   0.630
   29    H8     A   3           H8         A   3  -3.205  -5.633  -0.312
   30   1H6     A   3          1H6         A   3   0.044  -2.581   1.472
   31   2H6     A   3          2H6         A   3  -0.074  -1.025   2.267
   32    H2     A   3           H2         A   3  -4.461  -0.062   2.566
   33   1H2*    A   3          1H2*        A   3  -5.045  -5.113  -1.622
   34   2H2*    A   3          2H2*        A   3  -6.406  -3.902  -1.642
   35   1H5*    C   4          1H5*        C   4  -8.996  -2.786  -0.282
   36   2H5*    C   4          2H5*        C   4 -10.083  -2.294  -1.596
   37    H4*    C   4           H4*        C   4  -9.300  -0.313  -0.417
   38    H3*    C   4           H3*        C   4  -8.901  -0.761  -3.216
   39    H1*    C   4           H1*        C   4  -6.607   1.203  -0.798
   40   1H4     C   4          1H4         C   4  -0.452  -0.316  -0.962
   41   2H4     C   4          2H4         C   4  -0.784  -1.862  -1.721
   42    H5     C   4           H5         C   4  -3.012  -2.613  -2.275
   43    H6     C   4           H6         C   4  -5.388  -2.020  -2.239
   44   1H2*    C   4          1H2*        C   4  -6.658  -0.541  -3.243
   45   2H2*    C   4          2H2*        C   4  -7.021   1.233  -3.055
   46   1H5*  U25   5          1H5*      U5P   5  -8.150   3.867  -1.284
   47   2H5*  U25   5          2H5*      U5P   5  -8.852   4.827  -2.601
   48    H4*  U25   5           H4*      U5P   5  -6.876   5.964  -1.792
   49    H3*  U25   5           H3*      U5P   5  -6.686   4.644  -4.481
   50    H2*  U25   5           H2*      U5P   5  -4.490   5.158  -4.744
   51    H1*  U25   5           H1*      U5P   5  -3.730   5.314  -2.019
   52    H3   U25   5           HN3      U5P   5  -0.734   2.188  -3.151
   53    H5   U25   5           H5       U5P   5  -4.322   0.615  -4.678
   54    H6   U25   5           H6       U5P   5  -5.445   2.633  -3.932
   55   3HO*  U25   5          *HO3      U5P   5  -6.633   7.366  -3.607
   56   1H5*  U25   6          1H5*      U5P   6  -1.941   7.650  -2.788
   57   2H5*  U25   6          2H5*      U5P   6  -1.528   9.065  -3.780
   58    H4*  U25   6           H4*      U5P   6   0.502   7.915  -2.998
   59    H3*  U25   6           H3*      U5P   6  -0.109   8.569  -5.681
   60    H2*  U25   6           H2*      U5P   6  -0.101   6.531  -6.604
   61    H1*  U25   6           H1*      U5P   6   1.727   5.263  -4.602
   62    H3   U25   6           HN3      U5P   6   0.530   1.244  -6.163
   63    H5   U25   6           H5       U5P   6  -2.963   3.524  -6.731
   64    H6   U25   6           H6       U5P   6  -1.794   5.433  -5.772
   65   3HO*  U25   6          *HO3      U5P   6   2.435   8.213  -5.598
   66   1H5*  C25   7          1H5*      C5P   7   3.677   3.998  -9.328
   67   2H5*  C25   7          2H5*      C5P   7   3.398   2.679  -8.174
   68    H4*  C25   7           H4*      C5P   7   5.802   3.017  -8.981
   69    H3*  C25   7           H3*      C5P   7   4.808   2.367  -6.380
   70    H2*  C25   7           H2*      C5P   7   5.712   4.021  -5.164
   71    H1*  C25   7           H1*      C5P   7   7.863   4.777  -7.091
   72   1H4   C25   7          1HN4      C5P   7   6.851  10.210  -3.951
   73   2H4   C25   7          2HN4      C5P   7   5.138   9.886  -3.828
   74    H5   C25   7           H5       C5P   7   4.107   7.891  -4.702
   75    H6   C25   7           H6       C5P   7   4.497   5.794  -5.901
   76   3HO*  C25   7          *HO3      C5P   7   7.470   1.972  -7.297
   77   1H5*  G25   8          1H5*      5GP   8   8.772   4.301  -3.571
   78   2H5*  G25   8          2H5*      5GP   8   9.430   3.346  -2.210
   79    H4*  G25   8           H4*      5GP   8   8.806   5.686  -1.600
   80    H3*  G25   8           H3*      5GP   8   7.353   3.315  -0.474
   81    H2*  G25   8           H2*      5GP   8   5.788   4.563   0.646
   82    H1*  G25   8           H1*      5GP   8   5.411   6.592  -1.164
   83    H8   G25   8           H8       5GP   8   5.818   2.932  -2.276
   84    H1   G25   8           HN1      5GP   8  -0.231   4.802  -1.724
   85   1H2   G25   8          1HN2      5GP   8   1.119   7.729  -0.435
   86   2H2   G25   8          2HN2      5GP   8  -0.317   6.830  -0.863
   87   3HO*  G25   8          *HO3      5GP   8   8.893   5.417   0.700
   88   1H5*    G   9          1H5*        G   9   4.684   8.265   1.170
   89   2H5*    G   9          2H5*        G   9   4.979   8.729   2.870
   90    H4*    G   9           H4*        G   9   2.635   9.064   2.227
   91    H3*    G   9           H3*        G   9   3.481   7.413   4.368
   92    H1*    G   9           H1*        G   9   0.416   6.622   2.055
   93    H8     G   9           H8         G   9   3.625   4.528   1.632
   94    H1     G   9           H1         G   9  -1.762   1.631  -0.168
   95   1H2     G   9          1H2         G   9  -3.288   4.571   0.877
   96   2H2     G   9          2H2         G   9  -3.487   2.968   0.196
   97   1H2*    G   9          1H2*        G   9   2.621   5.453   3.695
   98   2H2*    G   9          2H2*        G   9   1.031   6.181   4.203
   99   1H5*    T  10          1H5*        T  10  -1.322   8.119   3.807
  100   2H5*    T  10          2H5*        T  10  -1.730   8.701   5.432
  101    H4*    T  10           H4*        T  10  -3.558   7.346   4.582
  102    H3*    T  10           H3*        T  10  -2.136   6.758   6.998
  103   1H2*    T  10          1H2*        T  10  -1.577   4.624   6.552
  104   2H2*    T  10          2H2*        T  10  -3.350   4.288   6.800
  105    H1*    T  10           H1*        T  10  -3.778   4.190   4.561
  106    H3     T  10           H3         T  10  -1.916   0.448   2.958
  107   1H5M    T  10          1H5M        T  10   2.377   1.776   4.025
  108   2H5M    T  10          2H5M        T  10   2.063   2.884   5.382
  109   3H5M    T  10          3H5M        T  10   2.210   3.519   3.729
  110    H6     T  10           H6         T  10  -0.079   4.369   5.015
  111   1H5*    C  11          1H5*        C  11  -6.346   4.743   6.004
  112   2H5*    C  11          2H5*        C  11  -7.281   4.813   7.510
  113    H4*    C  11           H4*        C  11  -7.801   2.758   6.311
  114    H3*    C  11           H3*        C  11  -6.760   2.830   8.986
  115    H1*    C  11           H1*        C  11  -6.218   0.064   6.305
  116   1H4     C  11          1H4         C  11  -0.158  -1.603   5.538
  117   2H4     C  11          2H4         C  11   0.420  -0.134   6.305
  118    H5     C  11           H5         C  11  -1.066   1.565   7.189
  119    H6     C  11           H6         C  11  -3.416   2.190   7.520
  120   1H2*    C  11          1H2*        C  11  -5.046   1.400   8.717
  121   2H2*    C  11          2H2*        C  11  -6.345   0.130   8.576
  122   1H5*    C  12          1H5*        C  12  -8.762  -1.238   7.176
  123   2H5*    C  12          2H5*        C  12  -9.860  -1.682   8.497
  124    H4*    C  12           H4*        C  12  -8.982  -3.697   7.474
  125    H3*    C  12           H3*        C  12  -8.606  -3.050  10.248
  126    H1*    C  12           H1*        C  12  -6.234  -5.105   7.942
  127   1H4     C  12          1H4         C  12  -0.190  -3.182   8.071
  128   2H4     C  12          2H4         C  12  -0.612  -1.679   8.873
  129    H5     C  12           H5         C  12  -2.881  -1.094   9.476
  130    H6     C  12           H6         C  12  -5.217  -1.834   9.429
  131    H3T    C  12           H3T        C  12  -9.048  -5.305  10.419
  132   1H2*    C  12          1H2*        C  12  -6.390  -3.340  10.366
  133   2H2*    C  12          2H2*        C  12  -6.764  -5.117  10.170
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   4.585 -12.154   6.509
    2   2H5*    G   1          2H5*        G   1   5.073 -12.500   4.826
    3    H4*    G   1           H4*        G   1   2.643 -12.835   5.265
    4    H3*    G   1           H3*        G   1   3.767 -11.269   3.189
    5    H1*    G   1           H1*        G   1   0.503 -10.343   5.139
    6    H8     G   1           H8         G   1   3.648  -8.201   5.878
    7    H1     G   1           H1         G   1  -1.932  -5.467   7.267
    8   1H2     G   1          1H2         G   1  -3.292  -8.415   6.026
    9   2H2     G   1          2H2         G   1  -3.590  -6.833   6.721
   10    H5T    G   1           H5T        G   1   4.495  -9.889   5.804
   11   1H2*    G   1          1H2*        G   1   2.921  -9.235   3.774
   12   2H2*    G   1          2H2*        G   1   1.377  -9.913   3.081
   13   1H5*    G   2          1H5*        G   2  -1.241 -12.074   3.439
   14   2H5*    G   2          2H5*        G   2  -1.403 -12.631   1.751
   15    H4*    G   2           H4*        G   2  -3.413 -11.463   2.522
   16    H3*    G   2           H3*        G   2  -1.837 -10.586   0.288
   17    H1*    G   2           H1*        G   2  -3.910  -8.341   2.730
   18    H8     G   2           H8         G   2  -0.067  -8.076   2.845
   19    H1     G   2           H1         G   2  -3.128  -2.940   4.975
   20   1H2     G   2          1H2         G   2  -6.002  -4.681   4.090
   21   2H2     G   2          2H2         G   2  -5.312  -3.213   4.757
   22   1H2*    G   2          1H2*        G   2  -1.558  -8.438   0.883
   23   2H2*    G   2          2H2*        G   2  -3.338  -8.274   0.528
   24   1H5*    A   3          1H5*        A   3  -6.238  -8.884   0.946
   25   2H5*    A   3          2H5*        A   3  -7.012  -8.995  -0.645
   26    H4*    A   3           H4*        A   3  -7.774  -6.993   0.532
   27    H3*    A   3           H3*        A   3  -6.529  -6.970  -2.055
   28    H1*    A   3           H1*        A   3  -6.352  -4.180   0.677
   29    H8     A   3           H8         A   3  -3.106  -6.072  -0.210
   30   1H6     A   3          1H6         A   3   0.045  -2.901   1.507
   31   2H6     A   3          2H6         A   3  -0.115  -1.321   2.251
   32    H2     A   3           H2         A   3  -4.525  -0.446   2.469
   33   1H2*    A   3          1H2*        A   3  -4.940  -5.428  -1.651
   34   2H2*    A   3          2H2*        A   3  -6.327  -4.241  -1.607
   35   1H5*    C   4          1H5*        C   4  -8.687  -3.171  -0.386
   36   2H5*    C   4          2H5*        C   4  -9.760  -2.584  -1.668
   37    H4*    C   4           H4*        C   4  -8.828  -0.672  -0.533
   38    H3*    C   4           H3*        C   4  -8.367  -1.195  -3.325
   39    H1*    C   4           H1*        C   4  -6.171   0.721  -0.821
   40   1H4     C   4          1H4         C   4   0.022  -0.652  -0.912
   41   2H4     C   4          2H4         C   4  -0.270  -2.236  -1.606
   42    H5     C   4           H5         C   4  -2.484  -3.061  -2.147
   43    H6     C   4           H6         C   4  -4.881  -2.517  -2.153
   44   1H2*    C   4          1H2*        C   4  -6.124  -1.004  -3.277
   45   2H2*    C   4          2H2*        C   4  -6.459   0.774  -3.095
   46   1H5*  U25   5          1H5*      U5P   5  -7.847   3.454  -1.295
   47   2H5*  U25   5          2H5*      U5P   5  -8.572   4.359  -2.641
   48    H4*  U25   5           H4*      U5P   5  -6.732   5.643  -1.681
   49    H3*  U25   5           H3*      U5P   5  -6.438   4.486  -4.431
   50    H2*  U25   5           H2*      U5P   5  -4.269   5.113  -4.667
   51    H1*  U25   5           H1*      U5P   5  -3.477   5.128  -1.965
   52    H3   U25   5           HN3      U5P   5  -0.473   2.108  -3.277
   53    H5   U25   5           H5       U5P   5  -4.068   0.525  -4.793
   54    H6   U25   5           H6       U5P   5  -5.214   2.486  -3.936
   55   3HO*  U25   5          *HO3      U5P   5  -6.560   7.138  -3.362
   56   1H5*  U25   6          1H5*      U5P   6  -1.921   7.798  -2.547
   57   2H5*  U25   6          2H5*      U5P   6  -1.684   9.309  -3.449
   58    H4*  U25   6           H4*      U5P   6   0.474   8.394  -2.703
   59    H3*  U25   6           H3*      U5P   6  -0.195   9.104  -5.355
   60    H2*  U25   6           H2*      U5P   6   0.063   7.128  -6.379
   61    H1*  U25   6           H1*      U5P   6   2.035   5.993  -4.437
   62    H3   U25   6           HN3      U5P   6   1.308   1.944  -6.214
   63    H5   U25   6           H5       U5P   6  -2.435   3.820  -6.642
   64    H6   U25   6           H6       U5P   6  -1.489   5.802  -5.591
   65   3HO*  U25   6          *HO3      U5P   6   2.443   8.894  -5.107
   66   1H5*  C25   7          1H5*      C5P   7   3.601   4.864  -9.262
   67   2H5*  C25   7          2H5*      C5P   7   3.377   3.598  -8.038
   68    H4*  C25   7           H4*      C5P   7   5.710   3.846  -9.137
   69    H3*  C25   7           H3*      C5P   7   4.954   3.122  -6.476
   70    H2*  C25   7           H2*      C5P   7   6.028   4.701  -5.293
   71    H1*  C25   7           H1*      C5P   7   8.008   5.475  -7.388
   72   1H4   C25   7          1HN4      C5P   7   7.444  10.795  -3.959
   73   2H4   C25   7          2HN4      C5P   7   5.758  10.475  -3.629
   74    H5   C25   7           H5       C5P   7   4.590   8.531  -4.469
   75    H6   C25   7           H6       C5P   7   4.805   6.499  -5.802
   76   3HO*  C25   7          *HO3      C5P   7   7.532   2.663  -7.531
   77   1H5*  G25   8          1H5*      5GP   8   8.698   5.324  -3.812
   78   2H5*  G25   8          2H5*      5GP   8   9.573   4.296  -2.638
   79    H4*  G25   8           H4*      5GP   8   8.770   6.467  -1.686
   80    H3*  G25   8           H3*      5GP   8   7.701   3.820  -0.769
   81    H2*  G25   8           H2*      5GP   8   6.073   4.697   0.584
   82    H1*  G25   8           H1*      5GP   8   5.335   6.896  -0.901
   83    H8   G25   8           H8       5GP   8   6.057   3.385  -2.366
   84    H1   G25   8           HN1      5GP   8  -0.119   4.743  -1.696
   85   1H2   G25   8          1HN2      5GP   8   1.011   7.669  -0.213
   86   2H2   G25   8          2HN2      5GP   8  -0.356   6.699  -0.703
   87   3HO*  G25   8          *HO3      5GP   8   9.027   5.947   0.601
   88   1H5*    G   9          1H5*        G   9   4.657   8.372   1.374
   89   2H5*    G   9          2H5*        G   9   4.918   8.698   3.112
   90    H4*    G   9           H4*        G   9   2.571   9.043   2.411
   91    H3*    G   9           H3*        G   9   3.411   7.334   4.508
   92    H1*    G   9           H1*        G   9   0.427   6.518   2.085
   93    H8     G   9           H8         G   9   3.745   4.601   1.649
   94    H1     G   9           H1         G   9  -1.466   1.453  -0.245
   95   1H2     G   9          1H2         G   9  -3.145   4.309   0.812
   96   2H2     G   9          2H2         G   9  -3.258   2.707   0.111
   97   1H2*    G   9          1H2*        G   9   2.632   5.372   3.741
   98   2H2*    G   9          2H2*        G   9   1.008   6.033   4.233
   99   1H5*    T  10          1H5*        T  10  -1.370   8.010   3.797
  100   2H5*    T  10          2H5*        T  10  -1.856   8.532   5.421
  101    H4*    T  10           H4*        T  10  -3.660   7.258   4.414
  102    H3*    T  10           H3*        T  10  -2.387   6.507   6.876
  103   1H2*    T  10          1H2*        T  10  -1.909   4.371   6.363
  104   2H2*    T  10          2H2*        T  10  -3.708   4.110   6.483
  105    H1*    T  10           H1*        T  10  -3.992   4.140   4.218
  106    H3     T  10           H3         T  10  -2.203   0.270   2.815
  107   1H5M    T  10          1H5M        T  10   2.116   1.609   3.768
  108   2H5M    T  10          2H5M        T  10   1.813   2.638   5.188
  109   3H5M    T  10          3H5M        T  10   1.952   3.369   3.574
  110    H6     T  10           H6         T  10  -0.313   4.238   4.734
  111   1H5*    C  11          1H5*        C  11  -6.572   4.653   5.619
  112   2H5*    C  11          2H5*        C  11  -7.589   4.727   7.069
  113    H4*    C  11           H4*        C  11  -8.079   2.704   5.788
  114    H3*    C  11           H3*        C  11  -7.256   2.721   8.540
  115    H1*    C  11           H1*        C  11  -6.589  -0.040   5.881
  116   1H4     C  11          1H4         C  11  -0.540  -1.917   5.668
  117   2H4     C  11          2H4         C  11   0.017  -0.443   6.444
  118    H5     C  11           H5         C  11  -1.483   1.322   7.154
  119    H6     C  11           H6         C  11  -3.834   2.020   7.283
  120   1H2*    C  11          1H2*        C  11  -5.573   1.237   8.392
  121   2H2*    C  11          2H2*        C  11  -6.899   0.014   8.135
  122   1H5*    C  12          1H5*        C  12  -9.185  -1.346   6.554
  123   2H5*    C  12          2H5*        C  12 -10.393  -1.736   7.793
  124    H4*    C  12           H4*        C  12  -9.477  -3.796   6.923
  125    H3*    C  12           H3*        C  12  -9.262  -3.045   9.689
  126    H1*    C  12           H1*        C  12  -6.789  -5.224   7.616
  127   1H4     C  12          1H4         C  12  -0.725  -3.404   8.098
  128   2H4     C  12          2H4         C  12  -1.172  -1.871   8.827
  129    H5     C  12           H5         C  12  -3.464  -1.224   9.243
  130    H6     C  12           H6         C  12  -5.804  -1.921   9.057
  131    H3T    C  12           H3T        C  12 -10.657  -4.655   8.932
  132   1H2*    C  12          1H2*        C  12  -7.067  -3.367   9.959
  133   2H2*    C  12          2H2*        C  12  -7.459  -5.144   9.804
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   4.340 -12.257   6.484
    2   2H5*    G   1          2H5*        G   1   4.707 -12.653   4.781
    3    H4*    G   1           H4*        G   1   2.304 -12.912   5.390
    4    H3*    G   1           H3*        G   1   3.326 -11.433   3.200
    5    H1*    G   1           H1*        G   1   0.219 -10.375   5.333
    6    H8     G   1           H8         G   1   3.456  -8.299   5.815
    7    H1     G   1           H1         G   1  -1.958  -5.367   7.436
    8   1H2     G   1          1H2         G   1  -3.466  -8.309   6.362
    9   2H2     G   1          2H2         G   1  -3.682  -6.699   7.024
   10    H5T    G   1           H5T        G   1   4.269 -10.009   5.748
   11   1H2*    G   1          1H2*        G   1   2.562  -9.364   3.775
   12   2H2*    G   1          2H2*        G   1   0.959 -10.028   3.209
   13   1H5*    G   2          1H5*        G   2  -1.695 -12.059   3.762
   14   2H5*    G   2          2H5*        G   2  -1.945 -12.686   2.110
   15    H4*    G   2           H4*        G   2  -3.883 -11.419   2.889
   16    H3*    G   2           H3*        G   2  -2.353 -10.672   0.578
   17    H1*    G   2           H1*        G   2  -4.273  -8.278   3.003
   18    H8     G   2           H8         G   2  -0.418  -8.129   2.973
   19    H1     G   2           H1         G   2  -3.255  -2.852   5.069
   20   1H2     G   2          1H2         G   2  -6.206  -4.541   4.350
   21   2H2     G   2          2H2         G   2  -5.454  -3.072   4.944
   22   1H2*    G   2          1H2*        G   2  -1.982  -8.516   1.091
   23   2H2*    G   2          2H2*        G   2  -3.766  -8.301   0.783
   24   1H5*    A   3          1H5*        A   3  -6.697  -8.718   1.293
   25   2H5*    A   3          2H5*        A   3  -7.478  -8.894  -0.290
   26    H4*    A   3           H4*        A   3  -8.157  -6.791   0.724
   27    H3*    A   3           H3*        A   3  -6.831  -6.977  -1.817
   28    H1*    A   3           H1*        A   3  -6.602  -4.049   0.763
   29    H8     A   3           H8         A   3  -3.418  -6.110   0.024
   30   1H6     A   3          1H6         A   3  -0.173  -2.978   1.635
   31   2H6     A   3          2H6         A   3  -0.284  -1.372   2.327
   32    H2     A   3           H2         A   3  -4.663  -0.348   2.495
   33   1H2*    A   3          1H2*        A   3  -5.184  -5.490  -1.447
   34   2H2*    A   3          2H2*        A   3  -6.513  -4.239  -1.513
   35   1H5*    C   4          1H5*        C   4  -8.860  -3.059  -0.485
   36   2H5*    C   4          2H5*        C   4  -9.859  -2.444  -1.813
   37    H4*    C   4           H4*        C   4  -8.848  -0.570  -0.674
   38    H3*    C   4           H3*        C   4  -8.359  -1.146  -3.452
   39    H1*    C   4           H1*        C   4  -6.129   0.681  -0.913
   40   1H4     C   4          1H4         C   4  -0.017  -0.981  -0.896
   41   2H4     C   4          2H4         C   4  -0.369  -2.559  -1.574
   42    H5     C   4           H5         C   4  -2.612  -3.291  -2.124
   43    H6     C   4           H6         C   4  -4.979  -2.636  -2.170
   44   1H2*    C   4          1H2*        C   4  -6.105  -1.057  -3.361
   45   2H2*    C   4          2H2*        C   4  -6.367   0.732  -3.190
   46   1H5*  U25   5          1H5*      U5P   5  -7.661   3.356  -1.329
   47   2H5*  U25   5          2H5*      U5P   5  -8.289   4.391  -2.627
   48    H4*  U25   5           H4*      U5P   5  -6.414   5.489  -1.498
   49    H3*  U25   5           H3*      U5P   5  -6.098   4.576  -4.335
   50    H2*  U25   5           H2*      U5P   5  -3.896   5.146  -4.460
   51    H1*  U25   5           H1*      U5P   5  -3.167   4.799  -1.775
   52    H3   U25   5           HN3      U5P   5  -0.349   1.760  -3.446
   53    H5   U25   5           H5       U5P   5  -4.072   0.475  -4.936
   54    H6   U25   5           H6       U5P   5  -5.080   2.433  -3.913
   55   3HO*  U25   5          *HO3      U5P   5  -6.196   7.106  -2.997
   56   1H5*  U25   6          1H5*      U5P   6  -1.343   7.450  -2.192
   57   2H5*  U25   6          2H5*      U5P   6  -1.093   9.040  -2.943
   58    H4*  U25   6           H4*      U5P   6   1.062   7.950  -2.514
   59    H3*  U25   6           H3*      U5P   6   0.192   8.935  -5.020
   60    H2*  U25   6           H2*      U5P   6   0.288   7.058  -6.238
   61    H1*  U25   6           H1*      U5P   6   2.352   5.686  -4.560
   62    H3   U25   6           HN3      U5P   6   1.378   1.815  -6.579
   63    H5   U25   6           H5       U5P   6  -2.323   3.818  -6.610
   64    H6   U25   6           H6       U5P   6  -1.245   5.693  -5.484
   65   3HO*  U25   6          *HO3      U5P   6   2.743   8.817  -5.163
   66   1H5*  C25   7          1H5*      C5P   7   3.967   5.172  -9.502
   67   2H5*  C25   7          2H5*      C5P   7   3.964   3.738  -8.455
   68    H4*  C25   7           H4*      C5P   7   6.207   4.425  -9.498
   69    H3*  C25   7           H3*      C5P   7   5.602   3.406  -6.897
   70    H2*  C25   7           H2*      C5P   7   6.471   5.016  -5.602
   71    H1*  C25   7           H1*      C5P   7   8.278   6.233  -7.642
   72   1H4   C25   7          1HN4      C5P   7   6.986  11.136  -3.793
   73   2H4   C25   7          2HN4      C5P   7   5.363  10.551  -3.507
   74    H5   C25   7           H5       C5P   7   4.494   8.533  -4.487
   75    H6   C25   7           H6       C5P   7   4.983   6.659  -5.973
   76   3HO*  C25   7          *HO3      C5P   7   7.478   2.281  -7.279
   77   1H5*  G25   8          1H5*      5GP   8   9.096   5.620  -4.035
   78   2H5*  G25   8          2H5*      5GP   8  10.040   4.587  -2.924
   79    H4*  G25   8           H4*      5GP   8   8.928   6.542  -1.835
   80    H3*  G25   8           H3*      5GP   8   8.161   3.722  -1.159
   81    H2*  G25   8           H2*      5GP   8   6.469   4.344   0.275
   82    H1*  G25   8           H1*      5GP   8   5.525   6.557  -1.073
   83    H8   G25   8           H8       5GP   8   6.477   3.174  -2.727
   84    H1   G25   8           HN1      5GP   8   0.241   4.108  -1.876
   85   1H2   G25   8          1HN2      5GP   8   1.212   7.045  -0.326
   86   2H2   G25   8          2HN2      5GP   8  -0.101   5.999  -0.820
   87   3HO*  G25   8          *HO3      5GP   8   9.247   5.821   0.435
   88   1H5*    G   9          1H5*        G   9   4.647   8.195   0.889
   89   2H5*    G   9          2H5*        G   9   5.014   8.479   2.614
   90    H4*    G   9           H4*        G   9   2.628   8.914   1.946
   91    H3*    G   9           H3*        G   9   3.512   7.407   4.151
   92    H1*    G   9           H1*        G   9   0.447   6.358   1.957
   93    H8     G   9           H8         G   9   3.734   4.379   1.557
   94    H1     G   9           H1         G   9  -1.555   1.301  -0.245
   95   1H2     G   9          1H2         G   9  -3.160   4.231   0.731
   96   2H2     G   9          2H2         G   9  -3.316   2.611   0.076
   97   1H2*    G   9          1H2*        G   9   2.790   5.361   3.521
   98   2H2*    G   9          2H2*        G   9   1.174   5.992   4.086
   99   1H5*    T  10          1H5*        T  10  -1.504   7.999   3.289
  100   2H5*    T  10          2H5*        T  10  -1.851   8.614   4.916
  101    H4*    T  10           H4*        T  10  -3.727   7.273   4.114
  102    H3*    T  10           H3*        T  10  -2.287   6.750   6.537
  103   1H2*    T  10          1H2*        T  10  -1.780   4.591   6.168
  104   2H2*    T  10          2H2*        T  10  -3.556   4.301   6.449
  105    H1*    T  10           H1*        T  10  -4.010   4.127   4.218
  106    H3     T  10           H3         T  10  -2.246   0.250   2.836
  107   1H5M    T  10          1H5M        T  10   2.094   1.593   3.664
  108   2H5M    T  10          2H5M        T  10   1.809   2.570   5.125
  109   3H5M    T  10          3H5M        T  10   1.939   3.360   3.538
  110    H6     T  10           H6         T  10  -0.303   4.261   4.616
  111   1H5*    C  11          1H5*        C  11  -6.544   4.809   5.623
  112   2H5*    C  11          2H5*        C  11  -7.474   4.952   7.126
  113    H4*    C  11           H4*        C  11  -8.059   2.884   5.971
  114    H3*    C  11           H3*        C  11  -7.041   3.003   8.655
  115    H1*    C  11           H1*        C  11  -6.589   0.133   6.066
  116   1H4     C  11          1H4         C  11  -0.592  -1.854   5.573
  117   2H4     C  11          2H4         C  11   0.031  -0.362   6.257
  118    H5     C  11           H5         C  11  -1.395   1.461   6.971
  119    H6     C  11           H6         C  11  -3.723   2.205   7.203
  120   1H2*    C  11          1H2*        C  11  -5.389   1.493   8.451
  121   2H2*    C  11          2H2*        C  11  -6.740   0.275   8.335
  122   1H5*    C  12          1H5*        C  12  -9.138  -1.087   7.014
  123   2H5*    C  12          2H5*        C  12 -10.274  -1.411   8.337
  124    H4*    C  12           H4*        C  12  -9.439  -3.516   7.490
  125    H3*    C  12           H3*        C  12  -9.046  -2.666  10.209
  126    H1*    C  12           H1*        C  12  -6.750  -4.965   8.070
  127   1H4     C  12          1H4         C  12  -0.628  -3.287   8.134
  128   2H4     C  12          2H4         C  12  -0.996  -1.716   8.823
  129    H5     C  12           H5         C  12  -3.243  -0.994   9.344
  130    H6     C  12           H6         C  12  -5.608  -1.635   9.318
  131    H3T    C  12           H3T        C  12 -10.514  -4.278   9.551
  132   1H2*    C  12          1H2*        C  12  -6.845  -3.022  10.358
  133   2H2*    C  12          2H2*        C  12  -7.278  -4.796  10.294
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   5.082 -11.437   5.482
    2   2H5*    G   1          2H5*        G   1   5.460 -11.714   3.758
    3    H4*    G   1           H4*        G   1   3.063 -12.069   4.349
    4    H3*    G   1           H3*        G   1   4.049 -10.448   2.248
    5    H1*    G   1           H1*        G   1   0.920  -9.596   4.423
    6    H8     G   1           H8         G   1   4.032  -7.319   4.850
    7    H1     G   1           H1         G   1  -1.418  -5.015   7.201
    8   1H2     G   1          1H2         G   1  -2.765  -8.021   6.085
    9   2H2     G   1          2H2         G   1  -3.052  -6.479   6.871
   10    H5T    G   1           H5T        G   1   4.966  -9.151   4.903
   11   1H2*    G   1          1H2*        G   1   3.259  -8.429   2.966
   12   2H2*    G   1          2H2*        G   1   1.675  -9.069   2.333
   13   1H5*    G   2          1H5*        G   2  -0.802 -11.593   3.048
   14   2H5*    G   2          2H5*        G   2  -1.195 -12.062   1.372
   15    H4*    G   2           H4*        G   2  -3.142 -11.177   2.600
   16    H3*    G   2           H3*        G   2  -2.147 -10.095   0.142
   17    H1*    G   2           H1*        G   2  -3.881  -8.087   3.028
   18    H8     G   2           H8         G   2  -0.108  -7.560   2.466
   19    H1     G   2           H1         G   2  -3.074  -2.649   5.175
   20   1H2     G   2          1H2         G   2  -5.943  -4.560   4.742
   21   2H2     G   2          2H2         G   2  -5.243  -3.057   5.310
   22   1H2*    G   2          1H2*        G   2  -1.942  -7.942   0.756
   23   2H2*    G   2          2H2*        G   2  -3.767  -7.938   0.760
   24   1H5*    A   3          1H5*        A   3  -6.549  -8.492   1.473
   25   2H5*    A   3          2H5*        A   3  -7.449  -8.734  -0.037
   26    H4*    A   3           H4*        A   3  -8.141  -6.637   0.945
   27    H3*    A   3           H3*        A   3  -6.918  -6.810  -1.646
   28    H1*    A   3           H1*        A   3  -6.683  -3.839   0.885
   29    H8     A   3           H8         A   3  -3.451  -5.744  -0.074
   30   1H6     A   3          1H6         A   3  -0.264  -2.603   1.662
   31   2H6     A   3          2H6         A   3  -0.415  -1.054   2.467
   32    H2     A   3           H2         A   3  -4.816  -0.210   2.824
   33   1H2*    A   3          1H2*        A   3  -5.310  -5.259  -1.368
   34   2H2*    A   3          2H2*        A   3  -6.688  -4.061  -1.386
   35   1H5*    C   4          1H5*        C   4  -9.262  -2.726  -0.664
   36   2H5*    C   4          2H5*        C   4 -10.119  -2.344  -2.170
   37    H4*    C   4           H4*        C   4  -9.186  -0.310  -1.231
   38    H3*    C   4           H3*        C   4  -8.505  -1.290  -3.853
   39    H1*    C   4           H1*        C   4  -6.376   0.845  -1.429
   40   1H4     C   4          1H4         C   4  -0.421  -1.105  -0.483
   41   2H4     C   4          2H4         C   4  -0.751  -2.695  -1.152
   42    H5     C   4           H5         C   4  -2.929  -3.345  -1.985
   43    H6     C   4           H6         C   4  -5.234  -2.604  -2.353
   44   1H2*    C   4          1H2*        C   4  -6.259  -1.197  -3.631
   45   2H2*    C   4          2H2*        C   4  -6.500   0.602  -3.702
   46   1H5*  U25   5          1H5*      U5P   5  -8.167   3.440  -2.488
   47   2H5*  U25   5          2H5*      U5P   5  -8.487   4.361  -3.971
   48    H4*  U25   5           H4*      U5P   5  -6.813   5.500  -2.590
   49    H3*  U25   5           H3*      U5P   5  -5.951   4.321  -5.216
   50    H2*  U25   5           H2*      U5P   5  -3.776   4.960  -4.930
   51    H1*  U25   5           H1*      U5P   5  -3.641   4.805  -2.132
   52    H3   U25   5           HN3      U5P   5  -0.446   1.823  -3.138
   53    H5   U25   5           H5       U5P   5  -3.844   0.224  -5.032
   54    H6   U25   5           H6       U5P   5  -5.072   2.203  -4.347
   55   3HO*  U25   5          *HO3      U5P   5  -5.857   6.655  -5.630
   56   1H5*  U25   6          1H5*      U5P   6  -1.669   7.372  -2.610
   57   2H5*  U25   6          2H5*      U5P   6  -1.307   8.935  -3.371
   58    H4*  U25   6           H4*      U5P   6   0.777   7.870  -2.719
   59    H3*  U25   6           H3*      U5P   6   0.143   8.647  -5.368
   60    H2*  U25   6           H2*      U5P   6   0.340   6.680  -6.406
   61    H1*  U25   6           H1*      U5P   6   2.241   5.473  -4.433
   62    H3   U25   6           HN3      U5P   6   1.516   1.435  -6.211
   63    H5   U25   6           H5       U5P   6  -2.163   3.376  -6.837
   64    H6   U25   6           H6       U5P   6  -1.235   5.350  -5.743
   65   3HO*  U25   6          *HO3      U5P   6   2.708   8.502  -5.242
   66   1H5*  C25   7          1H5*      C5P   7   3.985   4.386  -9.241
   67   2H5*  C25   7          2H5*      C5P   7   3.860   3.095  -8.027
   68    H4*  C25   7           H4*      C5P   7   6.167   3.494  -9.093
   69    H3*  C25   7           H3*      C5P   7   5.446   2.823  -6.413
   70    H2*  C25   7           H2*      C5P   7   6.370   4.530  -5.286
   71    H1*  C25   7           H1*      C5P   7   8.306   5.396  -7.382
   72   1H4   C25   7          1HN4      C5P   7   7.140  10.774  -4.183
   73   2H4   C25   7          2HN4      C5P   7   5.474  10.315  -3.912
   74    H5   C25   7           H5       C5P   7   4.530   8.237  -4.695
   75    H6   C25   7           H6       C5P   7   4.979   6.183  -5.931
   76   3HO*  C25   7          *HO3      C5P   7   7.293   1.583  -6.588
   77   1H5*  G25   8          1H5*      5GP   8   8.806   5.277  -3.700
   78   2H5*  G25   8          2H5*      5GP   8   9.750   4.346  -2.501
   79    H4*  G25   8           H4*      5GP   8   8.656   6.381  -1.567
   80    H3*  G25   8           H3*      5GP   8   7.849   3.627  -0.704
   81    H2*  G25   8           H2*      5GP   8   6.114   4.331   0.615
   82    H1*  G25   8           H1*      5GP   8   5.239   6.499  -0.861
   83    H8   G25   8           H8       5GP   8   6.159   2.980  -2.215
   84    H1   G25   8           HN1      5GP   8  -0.079   4.148  -1.767
   85   1H2   G25   8          1HN2      5GP   8   0.901   7.172  -0.399
   86   2H2   G25   8          2HN2      5GP   8  -0.415   6.125  -0.880
   87   3HO*  G25   8          *HO3      5GP   8   8.928   5.854   0.720
   88   1H5*    G   9          1H5*        G   9   4.184   8.084   0.905
   89   2H5*    G   9          2H5*        G   9   4.571   8.519   2.595
   90    H4*    G   9           H4*        G   9   2.183   8.879   1.981
   91    H3*    G   9           H3*        G   9   3.124   7.420   4.212
   92    H1*    G   9           H1*        G   9  -0.012   6.377   2.102
   93    H8     G   9           H8         G   9   3.192   4.218   1.933
   94    H1     G   9           H1         G   9  -2.102   1.366  -0.170
   95   1H2     G   9          1H2         G   9  -3.627   4.406   0.554
   96   2H2     G   9          2H2         G   9  -3.810   2.769  -0.044
   97   1H2*    G   9          1H2*        G   9   2.311   5.384   3.698
   98   2H2*    G   9          2H2*        G   9   0.725   6.097   4.241
   99   1H5*    T  10          1H5*        T  10  -1.667   8.097   3.790
  100   2H5*    T  10          2H5*        T  10  -2.107   8.703   5.398
  101    H4*    T  10           H4*        T  10  -3.898   7.300   4.543
  102    H3*    T  10           H3*        T  10  -2.509   6.763   6.998
  103   1H2*    T  10          1H2*        T  10  -1.964   4.616   6.607
  104   2H2*    T  10          2H2*        T  10  -3.748   4.298   6.819
  105    H1*    T  10           H1*        T  10  -4.122   4.176   4.570
  106    H3     T  10           H3         T  10  -2.261   0.366   3.130
  107   1H5M    T  10          1H5M        T  10   2.021   1.709   4.214
  108   2H5M    T  10          2H5M        T  10   1.675   2.764   5.605
  109   3H5M    T  10          3H5M        T  10   1.864   3.464   3.984
  110    H6     T  10           H6         T  10  -0.440   4.333   5.109
  111   1H5*    C  11          1H5*        C  11  -6.722   4.592   6.150
  112   2H5*    C  11          2H5*        C  11  -7.582   4.689   7.699
  113    H4*    C  11           H4*        C  11  -8.026   2.542   6.652
  114    H3*    C  11           H3*        C  11  -6.813   2.815   9.247
  115    H1*    C  11           H1*        C  11  -6.311  -0.039   6.653
  116   1H4     C  11          1H4         C  11  -0.241  -1.471   5.514
  117   2H4     C  11          2H4         C  11   0.326   0.013   6.261
  118    H5     C  11           H5         C  11  -1.169   1.657   7.227
  119    H6     C  11           H6         C  11  -3.514   2.214   7.674
  120   1H2*    C  11          1H2*        C  11  -5.057   1.450   8.935
  121   2H2*    C  11          2H2*        C  11  -6.294   0.115   8.925
  122   1H5*    C  12          1H5*        C  12  -8.819  -1.279   7.716
  123   2H5*    C  12          2H5*        C  12  -9.814  -1.792   9.092
  124    H4*    C  12           H4*        C  12  -8.944  -3.747   7.942
  125    H3*    C  12           H3*        C  12  -8.443  -3.183  10.714
  126    H1*    C  12           H1*        C  12  -6.120  -5.073   8.223
  127   1H4     C  12          1H4         C  12  -0.169  -2.908   8.025
  128   2H4     C  12          2H4         C  12  -0.581  -1.475   8.949
  129    H5     C  12           H5         C  12  -2.821  -1.010   9.739
  130    H6     C  12           H6         C  12  -5.127  -1.835   9.812
  131    H3T    C  12           H3T        C  12  -8.579  -5.636   9.247
  132   1H2*    C  12          1H2*        C  12  -6.216  -3.393  10.710
  133   2H2*    C  12          2H2*        C  12  -6.536  -5.175  10.471
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   5.026 -11.479   6.085
    2   2H5*    G   1          2H5*        G   1   5.537 -11.754   4.396
    3    H4*    G   1           H4*        G   1   3.105 -12.137   4.812
    4    H3*    G   1           H3*        G   1   4.231 -10.497   2.786
    5    H1*    G   1           H1*        G   1   0.920  -9.716   4.714
    6    H8     G   1           H8         G   1   3.978  -7.473   5.525
    7    H1     G   1           H1         G   1  -1.715  -5.002   6.946
    8   1H2     G   1          1H2         G   1  -2.948  -7.955   5.589
    9   2H2     G   1          2H2         G   1  -3.313  -6.409   6.333
   10    H5T    G   1           H5T        G   1   4.920  -9.195   5.486
   11   1H2*    G   1          1H2*        G   1   3.306  -8.503   3.383
   12   2H2*    G   1          2H2*        G   1   1.790  -9.225   2.670
   13   1H5*    G   2          1H5*        G   2  -0.721 -11.443   2.924
   14   2H5*    G   2          2H5*        G   2  -0.882 -11.952   1.222
   15    H4*    G   2           H4*        G   2  -2.902 -10.831   2.046
   16    H3*    G   2           H3*        G   2  -1.365  -9.891  -0.189
   17    H1*    G   2           H1*        G   2  -3.439  -7.722   2.320
   18    H8     G   2           H8         G   2   0.402  -7.362   2.325
   19    H1     G   2           H1         G   2  -2.706  -2.425   4.824
   20   1H2     G   2          1H2         G   2  -5.568  -4.185   3.957
   21   2H2     G   2          2H2         G   2  -4.885  -2.736   4.668
   22   1H2*    G   2          1H2*        G   2  -1.102  -7.752   0.450
   23   2H2*    G   2          2H2*        G   2  -2.886  -7.599   0.114
   24   1H5*    A   3          1H5*        A   3  -5.806  -8.416   0.663
   25   2H5*    A   3          2H5*        A   3  -6.645  -8.522  -0.896
   26    H4*    A   3           H4*        A   3  -7.496  -6.633   0.408
   27    H3*    A   3           H3*        A   3  -6.428  -6.444  -2.237
   28    H1*    A   3           H1*        A   3  -6.198  -3.703   0.558
   29    H8     A   3           H8         A   3  -2.947  -5.404  -0.672
   30   1H6     A   3          1H6         A   3   0.214  -2.377   1.293
   31   2H6     A   3          2H6         A   3   0.054  -0.893   2.211
   32    H2     A   3           H2         A   3  -4.355  -0.145   2.671
   33   1H2*    A   3          1H2*        A   3  -4.886  -4.836  -1.883
   34   2H2*    A   3          2H2*        A   3  -6.328  -3.731  -1.717
   35   1H5*    C   4          1H5*        C   4  -9.042  -2.845  -0.465
   36   2H5*    C   4          2H5*        C   4 -10.086  -2.285  -1.787
   37    H4*    C   4           H4*        C   4  -9.295  -0.374  -0.493
   38    H3*    C   4           H3*        C   4  -8.840  -0.698  -3.313
   39    H1*    C   4           H1*        C   4  -6.612   1.135  -0.725
   40   1H4     C   4          1H4         C   4  -0.449  -0.352  -0.843
   41   2H4     C   4          2H4         C   4  -0.739  -1.768  -1.837
   42    H5     C   4           H5         C   4  -2.937  -2.453  -2.554
   43    H6     C   4           H6         C   4  -5.316  -1.901  -2.505
   44   1H2*    C   4          1H2*        C   4  -6.610  -0.406  -3.302
   45   2H2*    C   4          2H2*        C   4  -7.010   1.338  -2.967
   46   1H5*  U25   5          1H5*      U5P   5  -8.260   3.796  -1.365
   47   2H5*  U25   5          2H5*      U5P   5  -8.788   4.875  -2.671
   48    H4*  U25   5           H4*      U5P   5  -6.783   5.783  -1.647
   49    H3*  U25   5           H3*      U5P   5  -6.490   4.628  -4.408
   50    H2*  U25   5           H2*      U5P   5  -4.261   5.091  -4.477
   51    H1*  U25   5           H1*      U5P   5  -3.724   4.959  -1.700
   52    H3   U25   5           HN3      U5P   5  -0.765   1.809  -2.855
   53    H5   U25   5           H5       U5P   5  -4.260   0.537  -4.816
   54    H6   U25   5           H6       U5P   5  -5.369   2.532  -3.990
   55   3HO*  U25   5          *HO3      U5P   5  -6.357   6.927  -4.827
   56   1H5*  U25   6          1H5*      U5P   6  -1.819   7.567  -2.411
   57   2H5*  U25   6          2H5*      U5P   6  -1.360   9.036  -3.297
   58    H4*  U25   6           H4*      U5P   6   0.638   7.780  -2.670
   59    H3*  U25   6           H3*      U5P   6  -0.040   8.551  -5.311
   60    H2*  U25   6           H2*      U5P   6  -0.085   6.553  -6.305
   61    H1*  U25   6           H1*      U5P   6   1.760   5.195  -4.377
   62    H3   U25   6           HN3      U5P   6   0.524   1.214  -5.999
   63    H5   U25   6           H5       U5P   6  -2.923   3.546  -6.603
   64    H6   U25   6           H6       U5P   6  -1.757   5.424  -5.574
   65   3HO*  U25   6          *HO3      U5P   6   2.447   8.295  -5.388
   66   1H5*  C25   7          1H5*      C5P   7   3.539   4.053  -9.233
   67   2H5*  C25   7          2H5*      C5P   7   3.318   2.708  -8.095
   68    H4*  C25   7           H4*      C5P   7   5.681   3.051  -9.001
   69    H3*  C25   7           H3*      C5P   7   4.809   2.392  -6.364
   70    H2*  C25   7           H2*      C5P   7   5.739   4.057  -5.184
   71    H1*  C25   7           H1*      C5P   7   7.810   4.840  -7.185
   72   1H4   C25   7          1HN4      C5P   7   6.793  10.258  -4.006
   73   2H4   C25   7          2HN4      C5P   7   5.091   9.898  -3.832
   74    H5   C25   7           H5       C5P   7   4.072   7.890  -4.690
   75    H6   C25   7           H6       C5P   7   4.467   5.803  -5.895
   76   3HO*  C25   7          *HO3      C5P   7   6.020   1.016  -7.700
   77   1H5*  G25   8          1H5*      5GP   8   8.686   4.450  -3.703
   78   2H5*  G25   8          2H5*      5GP   8   9.456   3.558  -2.358
   79    H4*  G25   8           H4*      5GP   8   8.669   5.858  -1.758
   80    H3*  G25   8           H3*      5GP   8   7.474   3.395  -0.531
   81    H2*  G25   8           H2*      5GP   8   5.857   4.531   0.639
   82    H1*  G25   8           H1*      5GP   8   5.260   6.507  -1.169
   83    H8   G25   8           H8       5GP   8   5.821   2.857  -2.264
   84    H1   G25   8           HN1      5GP   8  -0.280   4.444  -1.423
   85   1H2   G25   8          1HN2      5GP   8   1.002   7.437  -0.212
   86   2H2   G25   8          2HN2      5GP   8  -0.415   6.475  -0.563
   87   3HO*  G25   8          *HO3      5GP   8   8.854   5.638   0.576
   88   1H5*    G   9          1H5*        G   9   4.438   8.233   1.155
   89   2H5*    G   9          2H5*        G   9   4.867   8.724   2.819
   90    H4*    G   9           H4*        G   9   2.460   8.958   2.375
   91    H3*    G   9           H3*        G   9   3.560   7.392   4.466
   92    H1*    G   9           H1*        G   9   0.340   6.425   2.447
   93    H8     G   9           H8         G   9   3.570   4.371   1.944
   94    H1     G   9           H1         G   9  -1.798   1.439   0.174
   95   1H2     G   9          1H2         G   9  -3.352   4.366   1.209
   96   2H2     G   9          2H2         G   9  -3.534   2.762   0.530
   97   1H2*    G   9          1H2*        G   9   2.730   5.379   3.901
   98   2H2*    G   9          2H2*        G   9   1.162   6.050   4.540
   99   1H5*    T  10          1H5*        T  10  -1.191   8.128   4.206
  100   2H5*    T  10          2H5*        T  10  -1.619   8.643   5.849
  101    H4*    T  10           H4*        T  10  -3.439   7.338   4.885
  102    H3*    T  10           H3*        T  10  -2.099   6.661   7.331
  103   1H2*    T  10          1H2*        T  10  -1.586   4.524   6.849
  104   2H2*    T  10          2H2*        T  10  -3.376   4.227   7.022
  105    H1*    T  10           H1*        T  10  -3.720   4.209   4.765
  106    H3     T  10           H3         T  10  -1.896   0.452   3.137
  107   1H5M    T  10          1H5M        T  10   2.274   3.404   4.172
  108   2H5M    T  10          2H5M        T  10   2.387   1.643   4.387
  109   3H5M    T  10          3H5M        T  10   2.047   2.692   5.784
  110    H6     T  10           H6         T  10  -0.037   4.274   5.363
  111   1H5*    C  11          1H5*        C  11  -6.288   4.921   6.141
  112   2H5*    C  11          2H5*        C  11  -7.338   4.898   7.572
  113    H4*    C  11           H4*        C  11  -7.798   2.966   6.147
  114    H3*    C  11           H3*        C  11  -7.038   2.795   8.910
  115    H1*    C  11           H1*        C  11  -6.282   0.227   6.089
  116   1H4     C  11          1H4         C  11  -0.195  -1.520   5.751
  117   2H4     C  11          2H4         C  11   0.319  -0.181   6.763
  118    H5     C  11           H5         C  11  -1.218   1.453   7.674
  119    H6     C  11           H6         C  11  -3.573   2.128   7.813
  120   1H2*    C  11          1H2*        C  11  -5.342   1.333   8.707
  121   2H2*    C  11          2H2*        C  11  -6.647   0.123   8.324
  122   1H5*    C  12          1H5*        C  12  -8.944  -1.052   6.605
  123   2H5*    C  12          2H5*        C  12 -10.172  -1.584   7.771
  124    H4*    C  12           H4*        C  12  -9.203  -3.523   6.679
  125    H3*    C  12           H3*        C  12  -9.128  -3.108   9.519
  126    H1*    C  12           H1*        C  12  -6.500  -4.979   7.335
  127   1H4     C  12          1H4         C  12  -0.522  -3.041   8.173
  128   2H4     C  12          2H4         C  12  -1.029  -1.653   9.119
  129    H5     C  12           H5         C  12  -3.347  -1.146   9.586
  130    H6     C  12           H6         C  12  -5.658  -1.876   9.253
  131    H3T    C  12           H3T        C  12  -9.129  -5.470   7.904
  132   1H2*    C  12          1H2*        C  12  -6.937  -3.408   9.855
  133   2H2*    C  12          2H2*        C  12  -7.273  -5.162   9.480
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   5.243 -11.254   5.117
    2   2H5*    G   1          2H5*        G   1   5.626 -11.468   3.385
    3    H4*    G   1           H4*        G   1   3.232 -11.872   3.965
    4    H3*    G   1           H3*        G   1   4.199 -10.184   1.912
    5    H1*    G   1           H1*        G   1   1.069  -9.406   4.114
    6    H8     G   1           H8         G   1   4.174  -7.130   4.595
    7    H1     G   1           H1         G   1  -1.269  -4.922   7.052
    8   1H2     G   1          1H2         G   1  -2.610  -7.903   5.867
    9   2H2     G   1          2H2         G   1  -2.897  -6.384   6.697
   10    H5T    G   1           H5T        G   1   5.107  -8.955   4.627
   11   1H2*    G   1          1H2*        G   1   3.408  -8.191   2.697
   12   2H2*    G   1          2H2*        G   1   1.825  -8.812   2.042
   13   1H5*    G   2          1H5*        G   2  -0.642 -11.377   2.675
   14   2H5*    G   2          2H5*        G   2  -1.044 -11.786   0.985
   15    H4*    G   2           H4*        G   2  -2.986 -10.951   2.254
   16    H3*    G   2           H3*        G   2  -2.002  -9.770  -0.165
   17    H1*    G   2           H1*        G   2  -3.730  -7.883   2.806
   18    H8     G   2           H8         G   2   0.036  -7.316   2.233
   19    H1     G   2           H1         G   2  -2.936  -2.499   5.101
   20   1H2     G   2          1H2         G   2  -5.795  -4.424   4.655
   21   2H2     G   2          2H2         G   2  -5.100  -2.930   5.254
   22   1H2*    G   2          1H2*        G   2  -1.808  -7.642   0.528
   23   2H2*    G   2          2H2*        G   2  -3.632  -7.651   0.547
   24   1H5*    A   3          1H5*        A   3  -6.354  -8.305   1.346
   25   2H5*    A   3          2H5*        A   3  -7.320  -8.510  -0.128
   26    H4*    A   3           H4*        A   3  -8.046  -6.499   1.009
   27    H3*    A   3           H3*        A   3  -6.992  -6.496  -1.656
   28    H1*    A   3           H1*        A   3  -6.685  -3.630   0.991
   29    H8     A   3           H8         A   3  -3.470  -5.438  -0.179
   30   1H6     A   3          1H6         A   3  -0.257  -2.294   1.516
   31   2H6     A   3          2H6         A   3  -0.400  -0.759   2.347
   32    H2     A   3           H2         A   3  -4.796   0.022   2.862
   33   1H2*    A   3          1H2*        A   3  -5.417  -4.904  -1.404
   34   2H2*    A   3          2H2*        A   3  -6.832  -3.756  -1.281
   35   1H5*    C   4          1H5*        C   4  -9.285  -2.500  -0.369
   36   2H5*    C   4          2H5*        C   4 -10.263  -2.078  -1.788
   37    H4*    C   4           H4*        C   4  -9.253  -0.064  -0.919
   38    H3*    C   4           H3*        C   4  -8.719  -1.038  -3.578
   39    H1*    C   4           H1*        C   4  -6.475   1.085  -1.264
   40   1H4     C   4          1H4         C   4  -0.460  -0.809  -0.590
   41   2H4     C   4          2H4         C   4  -0.802  -2.394  -1.264
   42    H5     C   4           H5         C   4  -3.009  -3.060  -2.013
   43    H6     C   4           H6         C   4  -5.337  -2.344  -2.273
   44   1H2*    C   4          1H2*        C   4  -6.470  -0.957  -3.469
   45   2H2*    C   4          2H2*        C   4  -6.701   0.845  -3.532
   46   1H5*  U25   5          1H5*      U5P   5  -8.272   3.835  -2.427
   47   2H5*  U25   5          2H5*      U5P   5  -8.700   4.603  -3.969
   48    H4*  U25   5           H4*      U5P   5  -6.915   5.862  -2.882
   49    H3*  U25   5           H3*      U5P   5  -6.275   4.336  -5.386
   50    H2*  U25   5           H2*      U5P   5  -4.064   4.874  -5.331
   51    H1*  U25   5           H1*      U5P   5  -3.719   5.121  -2.554
   52    H3   U25   5           HN3      U5P   5  -0.771   1.802  -3.140
   53    H5   U25   5           H5       U5P   5  -4.238   0.285  -4.978
   54    H6   U25   5           H6       U5P   5  -5.340   2.387  -4.487
   55   3HO*  U25   5          *HO3      U5P   5  -7.573   6.231  -5.457
   56   1H5*  U25   6          1H5*      U5P   6  -1.931   7.544  -3.199
   57   2H5*  U25   6          2H5*      U5P   6  -1.442   8.977  -4.130
   58    H4*  U25   6           H4*      U5P   6   0.516   7.948  -3.080
   59    H3*  U25   6           H3*      U5P   6   0.233   8.491  -5.837
   60    H2*  U25   6           H2*      U5P   6   0.432   6.425  -6.675
   61    H1*  U25   6           H1*      U5P   6   2.053   5.308  -4.422
   62    H3   U25   6           HN3      U5P   6   1.233   1.182  -5.952
   63    H5   U25   6           H5       U5P   6  -2.254   3.269  -7.040
   64    H6   U25   6           H6       U5P   6  -1.297   5.268  -6.025
   65   3HO*  U25   6          *HO3      U5P   6   2.775   8.175  -5.351
   66   1H5*  C25   7          1H5*      C5P   7   4.320   3.882  -8.987
   67   2H5*  C25   7          2H5*      C5P   7   3.831   2.620  -7.839
   68    H4*  C25   7           H4*      C5P   7   6.322   2.756  -8.443
   69    H3*  C25   7           H3*      C5P   7   5.051   2.206  -5.942
   70    H2*  C25   7           H2*      C5P   7   5.977   3.786  -4.644
   71    H1*  C25   7           H1*      C5P   7   8.337   4.372  -6.374
   72   1H4   C25   7          1HN4      C5P   7   7.414   9.858  -3.300
   73   2H4   C25   7          2HN4      C5P   7   5.678   9.699  -3.418
   74    H5   C25   7           H5       C5P   7   4.591   7.811  -4.470
   75    H6   C25   7           H6       C5P   7   4.955   5.672  -5.605
   76   3HO*  C25   7          *HO3      C5P   7   7.745   1.588  -6.590
   77   1H5*  G25   8          1H5*      5GP   8   8.813   3.894  -2.893
   78   2H5*  G25   8          2H5*      5GP   8   9.354   3.020  -1.428
   79    H4*  G25   8           H4*      5GP   8   8.677   5.386  -1.009
   80    H3*  G25   8           H3*      5GP   8   7.135   3.074   0.122
   81    H2*  G25   8           H2*      5GP   8   5.488   4.383   1.044
   82    H1*  G25   8           H1*      5GP   8   5.274   6.306  -0.895
   83    H8   G25   8           H8       5GP   8   5.699   2.571  -1.749
   84    H1   G25   8           HN1      5GP   8  -0.333   4.589  -1.832
   85   1H2   G25   8          1HN2      5GP   8   0.988   7.569  -0.619
   86   2H2   G25   8          2HN2      5GP   8  -0.433   6.677  -1.108
   87   3HO*  G25   8          *HO3      5GP   8   8.594   5.238   1.289
   88   1H5*    G   9          1H5*        G   9   4.383   8.113   1.159
   89   2H5*    G   9          2H5*        G   9   4.601   8.728   2.824
   90    H4*    G   9           H4*        G   9   2.309   9.082   2.034
   91    H3*    G   9           H3*        G   9   2.982   7.602   4.342
   92    H1*    G   9           H1*        G   9   0.045   6.638   1.934
   93    H8     G   9           H8         G   9   3.239   4.465   1.916
   94    H1     G   9           H1         G   9  -2.043   1.565  -0.169
   95   1H2     G   9          1H2         G   9  -3.560   4.623   0.495
   96   2H2     G   9          2H2         G   9  -3.747   2.976  -0.077
   97   1H2*    G   9          1H2*        G   9   2.175   5.596   3.749
   98   2H2*    G   9          2H2*        G   9   0.560   6.340   4.136
   99   1H5*    T  10          1H5*        T  10  -1.866   8.197   3.626
  100   2H5*    T  10          2H5*        T  10  -2.287   8.842   5.225
  101    H4*    T  10           H4*        T  10  -4.051   7.353   4.475
  102    H3*    T  10           H3*        T  10  -2.562   6.947   6.893
  103   1H2*    T  10          1H2*        T  10  -1.920   4.820   6.541
  104   2H2*    T  10          2H2*        T  10  -3.675   4.417   6.827
  105    H1*    T  10           H1*        T  10  -4.120   4.203   4.600
  106    H3     T  10           H3         T  10  -2.106   0.528   3.052
  107   1H5M    T  10          1H5M        T  10   1.732   3.097   5.546
  108   2H5M    T  10          2H5M        T  10   1.913   3.721   3.895
  109   3H5M    T  10          3H5M        T  10   2.116   1.987   4.209
  110    H6     T  10           H6         T  10  -0.434   4.525   5.094
  111   1H5*    C  11          1H5*        C  11  -6.728   4.651   6.224
  112   2H5*    C  11          2H5*        C  11  -7.550   4.718   7.794
  113    H4*    C  11           H4*        C  11  -7.965   2.568   6.740
  114    H3*    C  11           H3*        C  11  -6.706   2.856   9.312
  115    H1*    C  11           H1*        C  11  -6.200   0.029   6.693
  116   1H4     C  11          1H4         C  11  -0.133  -1.293   5.422
  117   2H4     C  11          2H4         C  11   0.427   0.195   6.167
  118    H5     C  11           H5         C  11  -1.076   1.812   7.174
  119    H6     C  11           H6         C  11  -3.422   2.326   7.674
  120   1H2*    C  11          1H2*        C  11  -4.930   1.527   8.959
  121   2H2*    C  11          2H2*        C  11  -6.142   0.169   8.964
  122   1H5*    C  12          1H5*        C  12  -8.690  -1.239   7.766
  123   2H5*    C  12          2H5*        C  12  -9.648  -1.791   9.153
  124    H4*    C  12           H4*        C  12  -8.789  -3.712   7.936
  125    H3*    C  12           H3*        C  12  -8.234  -3.210  10.709
  126    H1*    C  12           H1*        C  12  -5.945  -5.019   8.126
  127   1H4     C  12          1H4         C  12  -0.018  -2.784   7.876
  128   2H4     C  12          2H4         C  12  -0.437  -1.366   8.819
  129    H5     C  12           H5         C  12  -2.668  -0.942   9.651
  130    H6     C  12           H6         C  12  -4.962  -1.797   9.748
  131    H3T    C  12           H3T        C  12  -8.400  -5.614   9.166
  132   1H2*    C  12          1H2*        C  12  -6.004  -3.397  10.651
  133   2H2*    C  12          2H2*        C  12  -6.312  -5.175  10.380
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   4.739 -11.893   6.759
    2   2H5*    G   1          2H5*        G   1   5.157 -12.279   5.065
    3    H4*    G   1           H4*        G   1   2.746 -12.592   5.615
    4    H3*    G   1           H3*        G   1   3.792 -11.076   3.457
    5    H1*    G   1           H1*        G   1   0.601 -10.119   5.512
    6    H8     G   1           H8         G   1   3.763  -7.967   6.115
    7    H1     G   1           H1         G   1  -1.784  -5.145   7.456
    8   1H2     G   1          1H2         G   1  -3.176  -8.118   6.318
    9   2H2     G   1          2H2         G   1  -3.457  -6.512   6.963
   10    H5T    G   1           H5T        G   1   4.626  -9.645   6.005
   11   1H2*    G   1          1H2*        G   1   2.941  -9.035   4.003
   12   2H2*    G   1          2H2*        G   1   1.375  -9.753   3.405
   13   1H5*    G   2          1H5*        G   2  -1.193 -11.847   3.878
   14   2H5*    G   2          2H5*        G   2  -1.401 -12.483   2.224
   15    H4*    G   2           H4*        G   2  -3.379 -11.257   2.997
   16    H3*    G   2           H3*        G   2  -1.866 -10.530   0.670
   17    H1*    G   2           H1*        G   2  -3.839  -8.120   3.039
   18    H8     G   2           H8         G   2   0.014  -7.875   2.963
   19    H1     G   2           H1         G   2  -2.925  -2.649   5.055
   20   1H2     G   2          1H2         G   2  -5.843  -4.416   4.396
   21   2H2     G   2          2H2         G   2  -5.118  -2.925   4.966
   22   1H2*    G   2          1H2*        G   2  -1.547  -8.353   1.129
   23   2H2*    G   2          2H2*        G   2  -3.336  -8.188   0.819
   24   1H5*    A   3          1H5*        A   3  -6.227  -8.757   1.341
   25   2H5*    A   3          2H5*        A   3  -7.051  -8.965  -0.216
   26    H4*    A   3           H4*        A   3  -7.770  -6.886   0.836
   27    H3*    A   3           H3*        A   3  -6.570  -7.035  -1.766
   28    H1*    A   3           H1*        A   3  -6.308  -4.085   0.788
   29    H8     A   3           H8         A   3  -3.099  -6.046  -0.103
   30   1H6     A   3          1H6         A   3   0.118  -2.880   1.512
   31   2H6     A   3          2H6         A   3  -0.015  -1.288   2.234
   32    H2     A   3           H2         A   3  -4.406  -0.362   2.513
   33   1H2*    A   3          1H2*        A   3  -4.953  -5.493  -1.481
   34   2H2*    A   3          2H2*        A   3  -6.324  -4.288  -1.487
   35   1H5*    C   4          1H5*        C   4  -8.732  -3.225  -0.238
   36   2H5*    C   4          2H5*        C   4  -9.833  -2.649  -1.502
   37    H4*    C   4           H4*        C   4  -8.890  -0.738  -0.355
   38    H3*    C   4           H3*        C   4  -8.536  -1.210  -3.170
   39    H1*    C   4           H1*        C   4  -6.229   0.677  -0.730
   40   1H4     C   4          1H4         C   4  -0.060  -0.763  -1.076
   41   2H4     C   4          2H4         C   4  -0.394  -2.316  -1.817
   42    H5     C   4           H5         C   4  -2.634  -3.101  -2.299
   43    H6     C   4           H6         C   4  -5.020  -2.535  -2.199
   44   1H2*    C   4          1H2*        C   4  -6.291  -1.002  -3.216
   45   2H2*    C   4          2H2*        C   4  -6.629   0.772  -2.982
   46   1H5*  U25   5          1H5*      U5P   5  -7.894   3.425  -1.128
   47   2H5*  U25   5          2H5*      U5P   5  -8.677   4.339  -2.433
   48    H4*  U25   5           H4*      U5P   5  -6.774   5.601  -1.580
   49    H3*  U25   5           H3*      U5P   5  -6.629   4.427  -4.335
   50    H2*  U25   5           H2*      U5P   5  -4.467   5.029  -4.679
   51    H1*  U25   5           H1*      U5P   5  -3.545   5.048  -2.017
   52    H3   U25   5           HN3      U5P   5  -0.651   1.938  -3.378
   53    H5   U25   5           H5       U5P   5  -4.309   0.480  -4.867
   54    H6   U25   5           H6       U5P   5  -5.390   2.455  -3.963
   55   3HO*  U25   5          *HO3      U5P   5  -6.654   7.090  -3.287
   56   1H5*  U25   6          1H5*      U5P   6  -2.010   7.569  -2.570
   57   2H5*  U25   6          2H5*      U5P   6  -1.736   9.095  -3.437
   58    H4*  U25   6           H4*      U5P   6   0.396   8.089  -2.706
   59    H3*  U25   6           H3*      U5P   6  -0.239   8.948  -5.312
   60    H2*  U25   6           H2*      U5P   6  -0.085   7.008  -6.428
   61    H1*  U25   6           H1*      U5P   6   1.869   5.706  -4.572
   62    H3   U25   6           HN3      U5P   6   0.941   1.759  -6.482
   63    H5   U25   6           H5       U5P   6  -2.725   3.805  -6.771
   64    H6   U25   6           H6       U5P   6  -1.675   5.709  -5.674
   65   3HO*  U25   6          *HO3      U5P   6   2.339   8.735  -5.214
   66   1H5*  C25   7          1H5*      C5P   7   3.422   4.836  -9.488
   67   2H5*  C25   7          2H5*      C5P   7   3.187   3.488  -8.356
   68    H4*  C25   7           H4*      C5P   7   5.521   3.774  -9.420
   69    H3*  C25   7           H3*      C5P   7   4.751   2.935  -6.801
   70    H2*  C25   7           H2*      C5P   7   5.831   4.449  -5.540
   71    H1*  C25   7           H1*      C5P   7   7.829   5.307  -7.581
   72   1H4   C25   7          1HN4      C5P   7   7.219  10.440  -3.875
   73   2H4   C25   7          2HN4      C5P   7   5.506  10.164  -3.678
   74    H5   C25   7           H5       C5P   7   4.339   8.303  -4.694
   75    H6   C25   7           H6       C5P   7   4.590   6.313  -6.089
   76   3HO*  C25   7          *HO3      C5P   7   7.325   2.510  -7.885
   77   1H5*  G25   8          1H5*      5GP   8   8.688   4.761  -4.215
   78   2H5*  G25   8          2H5*      5GP   8   9.569   3.779  -3.007
   79    H4*  G25   8           H4*      5GP   8   8.803   5.986  -2.137
   80    H3*  G25   8           H3*      5GP   8   7.673   3.405  -1.107
   81    H2*  G25   8           H2*      5GP   8   6.112   4.407   0.257
   82    H1*  G25   8           H1*      5GP   8   5.403   6.534  -1.331
   83    H8   G25   8           H8       5GP   8   5.988   2.968  -2.715
   84    H1   G25   8           HN1      5GP   8  -0.132   4.483  -1.864
   85   1H2   G25   8          1HN2      5GP   8   1.113   7.402  -0.463
   86   2H2   G25   8          2HN2      5GP   8  -0.292   6.453  -0.893
   87   3HO*  G25   8          *HO3      5GP   8   9.091   5.532   0.168
   88   1H5*    G   9          1H5*        G   9   4.571   8.275   0.705
   89   2H5*    G   9          2H5*        G   9   5.024   8.644   2.394
   90    H4*    G   9           H4*        G   9   2.610   9.010   1.902
   91    H3*    G   9           H3*        G   9   3.657   7.458   4.013
   92    H1*    G   9           H1*        G   9   0.456   6.429   1.973
   93    H8     G   9           H8         G   9   3.756   4.503   1.408
   94    H1     G   9           H1         G   9  -1.531   1.359  -0.278
   95   1H2     G   9          1H2         G   9  -3.166   4.223   0.826
   96   2H2     G   9          2H2         G   9  -3.307   2.616   0.138
   97   1H2*    G   9          1H2*        G   9   2.861   5.430   3.436
   98   2H2*    G   9          2H2*        G   9   1.284   6.086   4.070
   99   1H5*    T  10          1H5*        T  10  -1.118   8.212   3.579
  100   2H5*    T  10          2H5*        T  10  -1.574   8.749   5.206
  101    H4*    T  10           H4*        T  10  -3.405   7.492   4.204
  102    H3*    T  10           H3*        T  10  -2.139   6.777   6.684
  103   1H2*    T  10          1H2*        T  10  -1.724   4.616   6.230
  104   2H2*    T  10          2H2*        T  10  -3.531   4.409   6.355
  105    H1*    T  10           H1*        T  10  -3.814   4.397   4.090
  106    H3     T  10           H3         T  10  -2.173   0.423   2.804
  107   1H5M    T  10          1H5M        T  10   1.937   2.688   5.097
  108   2H5M    T  10          2H5M        T  10   2.101   3.386   3.470
  109   3H5M    T  10          3H5M        T  10   2.195   1.624   3.693
  110    H6     T  10           H6         T  10  -0.128   4.373   4.594
  111   1H5*    C  11          1H5*        C  11  -6.344   4.963   5.579
  112   2H5*    C  11          2H5*        C  11  -7.346   5.087   7.037
  113    H4*    C  11           H4*        C  11  -7.848   3.016   5.859
  114    H3*    C  11           H3*        C  11  -6.937   3.129   8.582
  115    H1*    C  11           H1*        C  11  -6.355   0.291   5.989
  116   1H4     C  11          1H4         C  11  -0.326  -1.626   5.628
  117   2H4     C  11          2H4         C  11   0.261  -0.151   6.375
  118    H5     C  11           H5         C  11  -1.204   1.637   7.100
  119    H6     C  11           H6         C  11  -3.544   2.360   7.278
  120   1H2*    C  11          1H2*        C  11  -5.258   1.641   8.430
  121   2H2*    C  11          2H2*        C  11  -6.588   0.409   8.251
  122   1H5*    C  12          1H5*        C  12  -8.957  -0.940   6.791
  123   2H5*    C  12          2H5*        C  12 -10.148  -1.293   8.057
  124    H4*    C  12           H4*        C  12  -9.284  -3.379   7.180
  125    H3*    C  12           H3*        C  12  -9.034  -2.614   9.939
  126    H1*    C  12           H1*        C  12  -6.598  -4.841   7.864
  127   1H4     C  12          1H4         C  12  -0.520  -3.050   8.250
  128   2H4     C  12          2H4         C  12  -0.948  -1.511   8.977
  129    H5     C  12           H5         C  12  -3.230  -0.850   9.423
  130    H6     C  12           H6         C  12  -5.577  -1.534   9.274
  131    H3T    C  12           H3T        C  12 -10.457  -4.209   9.226
  132   1H2*    C  12          1H2*        C  12  -6.841  -2.964  10.194
  133   2H2*    C  12          2H2*        C  12  -7.257  -4.736  10.054
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   5.361 -10.999   5.605
    2   2H5*    G   1          2H5*        G   1   5.829 -11.309   3.910
    3    H4*    G   1           H4*        G   1   3.412 -11.688   4.383
    4    H3*    G   1           H3*        G   1   4.475 -10.096   2.301
    5    H1*    G   1           H1*        G   1   1.236  -9.233   4.306
    6    H8     G   1           H8         G   1   4.281  -6.870   4.745
    7    H1     G   1           H1         G   1  -1.222  -4.721   7.120
    8   1H2     G   1          1H2         G   1  -2.484  -7.776   6.044
    9   2H2     G   1          2H2         G   1  -2.811  -6.237   6.819
   10    H5T    G   1           H5T        G   1   5.263  -8.735   5.000
   11   1H2*    G   1          1H2*        G   1   3.641  -8.071   2.953
   12   2H2*    G   1          2H2*        G   1   2.094  -8.730   2.248
   13   1H5*    G   2          1H5*        G   2  -0.342 -11.329   2.865
   14   2H5*    G   2          2H5*        G   2  -0.723 -11.780   1.181
   15    H4*    G   2           H4*        G   2  -2.681 -10.922   2.417
   16    H3*    G   2           H3*        G   2  -1.691  -9.806  -0.033
   17    H1*    G   2           H1*        G   2  -3.456  -7.865   2.871
   18    H8     G   2           H8         G   2   0.297  -7.229   2.296
   19    H1     G   2           H1         G   2  -2.819  -2.429   5.035
   20   1H2     G   2          1H2         G   2  -5.618  -4.447   4.627
   21   2H2     G   2          2H2         G   2  -4.971  -2.918   5.191
   22   1H2*    G   2          1H2*        G   2  -1.517  -7.660   0.604
   23   2H2*    G   2          2H2*        G   2  -3.341  -7.680   0.606
   24   1H5*    A   3          1H5*        A   3  -6.053  -8.296   1.482
   25   2H5*    A   3          2H5*        A   3  -7.015  -8.535   0.012
   26    H4*    A   3           H4*        A   3  -7.743  -6.502   1.104
   27    H3*    A   3           H3*        A   3  -6.675  -6.555  -1.559
   28    H1*    A   3           H1*        A   3  -6.420  -3.628   1.030
   29    H8     A   3           H8         A   3  -3.178  -5.439  -0.062
   30   1H6     A   3          1H6         A   3   0.001  -2.197   1.507
   31   2H6     A   3          2H6         A   3  -0.155  -0.624   2.259
   32    H2     A   3           H2         A   3  -4.567   0.155   2.700
   33   1H2*    A   3          1H2*        A   3  -5.146  -4.917  -1.352
   34   2H2*    A   3          2H2*        A   3  -6.587  -3.802  -1.234
   35   1H5*    C   4          1H5*        C   4  -9.194  -2.636  -0.510
   36   2H5*    C   4          2H5*        C   4 -10.139  -2.284  -1.971
   37    H4*    C   4           H4*        C   4  -9.181  -0.226  -1.081
   38    H3*    C   4           H3*        C   4  -8.699  -1.197  -3.745
   39    H1*    C   4           H1*        C   4  -6.373   0.938  -1.506
   40   1H4     C   4          1H4         C   4  -0.411  -1.103  -0.828
   41   2H4     C   4          2H4         C   4  -0.788  -2.672  -1.511
   42    H5     C   4           H5         C   4  -2.997  -3.274  -2.282
   43    H6     C   4           H6         C   4  -5.304  -2.506  -2.549
   44   1H2*    C   4          1H2*        C   4  -6.445  -1.114  -3.697
   45   2H2*    C   4          2H2*        C   4  -6.679   0.687  -3.758
   46   1H5*  U25   5          1H5*      U5P   5  -8.202   3.692  -2.565
   47   2H5*  U25   5          2H5*      U5P   5  -8.646   4.456  -4.105
   48    H4*  U25   5           H4*      U5P   5  -6.839   5.706  -3.039
   49    H3*  U25   5           H3*      U5P   5  -6.270   4.193  -5.566
   50    H2*  U25   5           H2*      U5P   5  -4.046   4.675  -5.550
   51    H1*  U25   5           H1*      U5P   5  -3.643   4.940  -2.778
   52    H3   U25   5           HN3      U5P   5  -0.755   1.568  -3.288
   53    H5   U25   5           H5       U5P   5  -4.204   0.105  -5.205
   54    H6   U25   5           H6       U5P   5  -5.289   2.221  -4.730
   55   3HO*  U25   5          *HO3      U5P   5  -6.309   6.968  -4.869
   56   1H5*  U25   6          1H5*      U5P   6  -1.850   7.361  -3.320
   57   2H5*  U25   6          2H5*      U5P   6  -1.347   8.766  -4.284
   58    H4*  U25   6           H4*      U5P   6   0.575   7.759  -3.108
   59    H3*  U25   6           H3*      U5P   6   0.419   8.340  -5.862
   60    H2*  U25   6           H2*      U5P   6   0.640   6.282  -6.727
   61    H1*  U25   6           H1*      U5P   6   2.182   5.123  -4.437
   62    H3   U25   6           HN3      U5P   6   1.350   1.017  -6.022
   63    H5   U25   6           H5       U5P   6  -2.080   3.158  -7.183
   64    H6   U25   6           H6       U5P   6  -1.120   5.137  -6.135
   65   3HO*  U25   6          *HO3      U5P   6   2.929   8.043  -5.320
   66   1H5*  C25   7          1H5*      C5P   7   4.563   3.639  -8.830
   67   2H5*  C25   7          2H5*      C5P   7   4.034   2.433  -7.640
   68    H4*  C25   7           H4*      C5P   7   6.544   2.525  -8.234
   69    H3*  C25   7           H3*      C5P   7   5.226   1.990  -5.761
   70    H2*  C25   7           H2*      C5P   7   6.120   3.584  -4.453
   71    H1*  C25   7           H1*      C5P   7   8.531   4.139  -6.125
   72   1H4   C25   7          1HN4      C5P   7   7.587   9.697  -3.196
   73   2H4   C25   7          2HN4      C5P   7   5.851   9.519  -3.291
   74    H5   C25   7           H5       C5P   7   4.768   7.591  -4.275
   75    H6   C25   7           H6       C5P   7   5.140   5.438  -5.375
   76   3HO*  C25   7          *HO3      C5P   7   7.934   1.371  -6.320
   77   1H5*  G25   8          1H5*      5GP   8   8.834   3.719  -2.586
   78   2H5*  G25   8          2H5*      5GP   8   9.353   2.826  -1.124
   79    H4*  G25   8           H4*      5GP   8   8.615   5.165  -0.665
   80    H3*  G25   8           H3*      5GP   8   7.082   2.793   0.351
   81    H2*  G25   8           H2*      5GP   8   5.362   4.039   1.232
   82    H1*  G25   8           H1*      5GP   8   5.181   6.009  -0.672
   83    H8   G25   8           H8       5GP   8   5.736   2.287  -1.550
   84    H1   G25   8           HN1      5GP   8  -0.297   4.227  -2.066
   85   1H2   G25   8          1HN2      5GP   8   0.879   7.205  -0.732
   86   2H2   G25   8          2HN2      5GP   8  -0.486   6.295  -1.339
   87   3HO*  G25   8          *HO3      5GP   8   8.240   4.948   1.791
   88   1H5*    G   9          1H5*        G   9   3.890   8.282   0.569
   89   2H5*    G   9          2H5*        G   9   4.309   8.729   2.251
   90    H4*    G   9           H4*        G   9   1.944   9.268   1.576
   91    H3*    G   9           H3*        G   9   2.817   7.970   3.890
   92    H1*    G   9           H1*        G   9  -0.319   6.687   1.901
   93    H8     G   9           H8         G   9   2.971   4.659   1.829
   94    H1     G   9           H1         G   9  -2.136   1.529  -0.342
   95   1H2     G   9          1H2         G   9  -3.798   4.530   0.249
   96   2H2     G   9          2H2         G   9  -3.900   2.869  -0.306
   97   1H2*    G   9          1H2*        G   9   2.107   5.875   3.447
   98   2H2*    G   9          2H2*        G   9   0.514   6.535   4.026
   99   1H5*    T  10          1H5*        T  10  -1.954   8.427   3.527
  100   2H5*    T  10          2H5*        T  10  -2.454   9.012   5.125
  101    H4*    T  10           H4*        T  10  -4.097   7.427   4.273
  102    H3*    T  10           H3*        T  10  -2.694   7.097   6.757
  103   1H2*    T  10          1H2*        T  10  -1.935   5.004   6.426
  104   2H2*    T  10          2H2*        T  10  -3.680   4.520   6.638
  105    H1*    T  10           H1*        T  10  -4.032   4.318   4.390
  106    H3     T  10           H3         T  10  -1.876   0.685   2.938
  107   1H5M    T  10          1H5M        T  10   1.831   3.321   5.533
  108   2H5M    T  10          2H5M        T  10   2.014   4.028   3.915
  109   3H5M    T  10          3H5M        T  10   2.279   2.289   4.154
  110    H6     T  10           H6         T  10  -0.374   4.731   5.016
  111   1H5*    C  11          1H5*        C  11  -6.839   4.651   5.942
  112   2H5*    C  11          2H5*        C  11  -7.680   4.774   7.500
  113    H4*    C  11           H4*        C  11  -8.102   2.592   6.519
  114    H3*    C  11           H3*        C  11  -6.866   2.962   9.087
  115    H1*    C  11           H1*        C  11  -6.298   0.045   6.572
  116   1H4     C  11          1H4         C  11  -0.204  -1.160   5.333
  117   2H4     C  11          2H4         C  11   0.316   0.372   6.016
  118    H5     C  11           H5         C  11  -1.224   1.980   6.972
  119    H6     C  11           H6         C  11  -3.582   2.441   7.469
  120   1H2*    C  11          1H2*        C  11  -5.067   1.650   8.785
  121   2H2*    C  11          2H2*        C  11  -6.260   0.277   8.835
  122   1H5*    C  12          1H5*        C  12  -8.760  -1.278   7.653
  123   2H5*    C  12          2H5*        C  12  -9.708  -1.759   9.074
  124    H4*    C  12           H4*        C  12  -8.806  -3.738   7.983
  125    H3*    C  12           H3*        C  12  -8.267  -3.045  10.717
  126    H1*    C  12           H1*        C  12  -5.923  -4.959   8.257
  127   1H4     C  12          1H4         C  12  -0.074  -2.540   7.821
  128   2H4     C  12          2H4         C  12  -0.537  -1.081   8.680
  129    H5     C  12           H5         C  12  -2.774  -0.692   9.511
  130    H6     C  12           H6         C  12  -5.035  -1.618   9.678
  131    H3T    C  12           H3T        C  12  -8.588  -5.292  10.947
  132   1H2*    C  12          1H2*        C  12  -6.032  -3.180  10.673
  133   2H2*    C  12          2H2*        C  12  -6.295  -4.980  10.515
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   5.205 -11.705   6.413
    2   2H5*    G   1          2H5*        G   1   5.599 -12.018   4.699
    3    H4*    G   1           H4*        G   1   3.238 -12.530   5.301
    4    H3*    G   1           H3*        G   1   4.095 -10.879   3.163
    5    H1*    G   1           H1*        G   1   0.905 -10.212   5.339
    6    H8     G   1           H8         G   1   3.941  -7.886   5.934
    7    H1     G   1           H1         G   1  -1.735  -5.428   7.444
    8   1H2     G   1          1H2         G   1  -3.333  -6.884   6.958
    9   2H2     G   1          2H2         G   1  -2.972  -8.454   6.265
   10    H5T    G   1           H5T        G   1   5.090  -9.649   4.483
   11   1H2*    G   1          1H2*        G   1   3.117  -8.922   3.800
   12   2H2*    G   1          2H2*        G   1   1.590  -9.737   3.223
   13   1H5*    G   2          1H5*        G   2  -0.850 -11.931   3.626
   14   2H5*    G   2          2H5*        G   2  -1.023 -12.534   1.954
   15    H4*    G   2           H4*        G   2  -3.057 -11.415   2.706
   16    H3*    G   2           H3*        G   2  -1.514 -10.495   0.466
   17    H1*    G   2           H1*        G   2  -3.657  -8.322   2.903
   18    H8     G   2           H8         G   2   0.176  -7.871   2.966
   19    H1     G   2           H1         G   2  -3.129  -2.939   5.208
   20   1H2     G   2          1H2         G   2  -5.299  -3.341   5.032
   21   2H2     G   2          2H2         G   2  -5.912  -4.843   4.366
   22   1H2*    G   2          1H2*        G   2  -1.297  -8.339   1.063
   23   2H2*    G   2          2H2*        G   2  -3.081  -8.225   0.702
   24   1H5*    A   3          1H5*        A   3  -5.999  -8.843   1.118
   25   2H5*    A   3          2H5*        A   3  -6.720  -9.053  -0.488
   26    H4*    A   3           H4*        A   3  -7.598  -7.032   0.532
   27    H3*    A   3           H3*        A   3  -6.188  -7.059  -1.965
   28    H1*    A   3           H1*        A   3  -6.265  -4.166   0.668
   29    H8     A   3           H8         A   3  -2.917  -5.979   0.005
   30   1H6     A   3          1H6         A   3  -0.215  -1.142   2.642
   31   2H6     A   3          2H6         A   3   0.039  -2.710   1.906
   32    H2     A   3           H2         A   3  -4.657  -0.402   2.596
   33   1H2*    A   3          1H2*        A   3  -4.670  -5.456  -1.515
   34   2H2*    A   3          2H2*        A   3  -6.090  -4.310  -1.605
   35   1H5*    C   4          1H5*        C   4  -8.728  -3.189  -0.878
   36   2H5*    C   4          2H5*        C   4  -9.665  -2.839  -2.344
   37    H4*    C   4           H4*        C   4  -8.945  -0.748  -1.354
   38    H3*    C   4           H3*        C   4  -8.197  -1.567  -4.011
   39    H1*    C   4           H1*        C   4  -6.282   0.704  -1.550
   40   1H4     C   4          1H4         C   4  -0.109  -0.538  -0.808
   41   2H4     C   4          2H4         C   4  -0.281  -2.152  -1.474
   42    H5     C   4           H5         C   4  -2.398  -3.062  -2.218
   43    H6     C   4           H6         C   4  -4.790  -2.595  -2.509
   44   1H2*    C   4          1H2*        C   4  -5.973  -1.286  -3.783
   45   2H2*    C   4          2H2*        C   4  -6.373   0.486  -3.836
   46   1H5*  U25   5          1H5*      U5P   5  -8.153   3.237  -2.519
   47   2H5*  U25   5          2H5*      U5P   5  -8.658   4.045  -4.016
   48    H4*  U25   5           H4*      U5P   5  -7.037   5.436  -2.847
   49    H3*  U25   5           H3*      U5P   5  -6.201   4.122  -5.412
   50    H2*  U25   5           H2*      U5P   5  -4.064   4.894  -5.293
   51    H1*  U25   5           H1*      U5P   5  -3.780   5.044  -2.501
   52    H3   U25   5           HN3      U5P   5  -0.446   2.152  -3.292
   53    H5   U25   5           H5       U5P   5  -3.760   0.260  -5.067
   54    H6   U25   5           H6       U5P   5  -5.090   2.206  -4.496
   55   3HO*  U25   5          *HO3      U5P   5  -7.708   5.871  -5.384
   56   1H5*  U25   6          1H5*      U5P   6  -2.182   7.667  -3.008
   57   2H5*  U25   6          2H5*      U5P   6  -1.915   9.186  -3.890
   58    H4*  U25   6           H4*      U5P   6   0.191   8.410  -2.919
   59    H3*  U25   6           H3*      U5P   6  -0.231   8.985  -5.651
   60    H2*  U25   6           H2*      U5P   6   0.210   6.985  -6.555
   61    H1*  U25   6           H1*      U5P   6   2.037   6.035  -4.384
   62    H3   U25   6           HN3      U5P   6   1.712   1.874  -6.007
   63    H5   U25   6           H5       U5P   6  -2.040   3.518  -6.959
   64    H6   U25   6           H6       U5P   6  -1.326   5.596  -5.906
   65   3HO*  U25   6          *HO3      U5P   6   2.372   8.917  -5.139
   66   1H5*  C25   7          1H5*      C5P   7   4.004   4.740  -9.017
   67   2H5*  C25   7          2H5*      C5P   7   3.716   3.531  -7.750
   68    H4*  C25   7           H4*      C5P   7   6.121   3.783  -8.683
   69    H3*  C25   7           H3*      C5P   7   5.183   3.168  -6.054
   70    H2*  C25   7           H2*      C5P   7   6.118   4.837  -4.875
   71    H1*  C25   7           H1*      C5P   7   8.236   5.566  -6.847
   72   1H4   C25   7          1HN4      C5P   7   7.254  11.040  -3.773
   73   2H4   C25   7          2HN4      C5P   7   5.556  10.683  -3.555
   74    H5   C25   7           H5       C5P   7   4.514   8.657  -4.370
   75    H6   C25   7           H6       C5P   7   4.891   6.566  -5.570
   76   3HO*  C25   7          *HO3      C5P   7   7.847   2.739  -6.881
   77   1H5*  G25   8          1H5*      5GP   8   8.586   5.646  -3.239
   78   2H5*  G25   8          2H5*      5GP   8   9.411   4.721  -1.949
   79    H4*  G25   8           H4*      5GP   8   8.445   6.896  -1.179
   80    H3*  G25   8           H3*      5GP   8   7.419   4.253  -0.202
   81    H2*  G25   8           H2*      5GP   8   5.664   5.131   0.987
   82    H1*  G25   8           H1*      5GP   8   4.947   7.208  -0.673
   83    H8   G25   8           H8       5GP   8   5.921   3.657  -1.877
   84    H1   G25   8           HN1      5GP   8  -0.339   4.786  -1.795
   85   1H2   G25   8          1HN2      5GP   8  -0.730   6.778  -0.926
   86   2H2   G25   8          2HN2      5GP   8   0.553   7.825  -0.370
   87   3HO*  G25   8          *HO3      5GP   8   8.570   6.506   1.128
   88   1H5*    G   9          1H5*        G   9   3.985   8.693   1.448
   89   2H5*    G   9          2H5*        G   9   4.115   9.148   3.171
   90    H4*    G   9           H4*        G   9   1.799   9.267   2.351
   91    H3*    G   9           H3*        G   9   2.646   7.691   4.551
   92    H1*    G   9           H1*        G   9  -0.149   6.625   2.017
   93    H8     G   9           H8         G   9   3.252   4.802   1.916
   94    H1     G   9           H1         G   9  -1.689   1.490  -0.372
   95   1H2     G   9          1H2         G   9  -3.533   2.712  -0.232
   96   2H2     G   9          2H2         G   9  -3.519   4.335   0.430
   97   1H2*    G   9          1H2*        G   9   2.029   5.660   3.817
   98   2H2*    G   9          2H2*        G   9   0.342   6.228   4.207
   99   1H5*    T  10          1H5*        T  10  -2.131   7.945   3.645
  100   2H5*    T  10          2H5*        T  10  -2.689   8.546   5.218
  101    H4*    T  10           H4*        T  10  -4.362   7.051   4.274
  102    H3*    T  10           H3*        T  10  -3.115   6.653   6.819
  103   1H2*    T  10          1H2*        T  10  -2.371   4.550   6.508
  104   2H2*    T  10          2H2*        T  10  -4.132   4.094   6.639
  105    H1*    T  10           H1*        T  10  -4.376   3.883   4.380
  106    H3     T  10           H3         T  10  -2.151   0.212   3.150
  107   1H5M    T  10          1H5M        T  10   1.478   3.037   5.676
  108   2H5M    T  10          2H5M        T  10   1.959   1.930   4.368
  109   3H5M    T  10          3H5M        T  10   1.668   3.649   4.018
  110    H6     T  10           H6         T  10  -0.743   4.369   5.072
  111   1H5*    C  11          1H5*        C  11  -7.131   4.277   5.646
  112   2H5*    C  11          2H5*        C  11  -8.142   4.383   7.101
  113    H4*    C  11           H4*        C  11  -8.471   2.225   6.024
  114    H3*    C  11           H3*        C  11  -7.553   2.532   8.731
  115    H1*    C  11           H1*        C  11  -6.740  -0.344   6.249
  116   1H4     C  11          1H4         C  11  -0.582  -1.736   5.827
  117   2H4     C  11          2H4         C  11  -0.110  -0.214   6.562
  118    H5     C  11           H5         C  11  -1.713   1.455   7.285
  119    H6     C  11           H6         C  11  -4.102   1.987   7.469
  120   1H2*    C  11          1H2*        C  11  -5.747   1.201   8.618
  121   2H2*    C  11          2H2*        C  11  -6.956  -0.156   8.510
  122   1H5*    C  12          1H5*        C  12  -9.269  -1.716   7.001
  123   2H5*    C  12          2H5*        C  12 -10.381  -2.179   8.302
  124    H4*    C  12           H4*        C  12  -9.383  -4.175   7.366
  125    H3*    C  12           H3*        C  12  -9.094  -3.426  10.126
  126    H1*    C  12           H1*        C  12  -6.594  -5.446   7.928
  127   1H4     C  12          1H4         C  12  -0.630  -3.278   8.183
  128   2H4     C  12          2H4         C  12  -1.141  -1.766   8.910
  129    H5     C  12           H5         C  12  -3.449  -1.253   9.410
  130    H6     C  12           H6         C  12  -5.750  -2.088   9.317
  131    H3T    C  12           H3T        C  12 -10.423  -5.112   9.355
  132   1H2*    C  12          1H2*        C  12  -6.873  -3.623  10.297
  133   2H2*    C  12          2H2*        C  12  -7.170  -5.418  10.146