*HEADER    ANTAGONIST                              27-AUG-96   1ONU      
*TITLE     NMDA RECEPTOR ANTAGONIST, CONANTOKIN-G, NMR, 17 STRUCTURES    
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: CONANTOKIN-G;                                      
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: CON-G;                                              
*COMPND   5 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS;                       
*SOURCE   4 ORGANISM_COMMON: GEOGRAPHY CONE                              
*KEYWDS    NMDA RECEPTOR, ANTAGONIST, CONANTOKIN-T                       
*EXPDTA    NMR, 17 STRUCTURES                                            
*AUTHOR    N.SKJAERBAEK,K.J.NIELSEN,R.J.LEWIS,P.F.ALEWOOD,D.J.CRAIK      
*REVDAT   1   12-OCT-04 1ONU    0   


!noe.tbl
!  NOE table  May '96
! 
!residue gly1

!residue Glu2
assign (resid  2  and name HA   ) (resid   2 and name HN   ) 0 0 3.5 !B9 M  
assign (resid  1  and name HA*  ) (resid   2 and name HN   ) 0 0 3.7 !B10 M 
assign (resid  2  and name HG*  ) (resid   2 and name HN   ) 0 0 6.0 !B12 M 
assign (resid  2  and name HB*  ) (resid   2 and name HN   ) 0 0 4.5 !B14 M  
assign (resid  5  and name HB1  ) (resid   2 and name HA   ) 0 0 3.5 !C7 M   
assign (resid  5  and name HB2  ) (resid   2 and name HA   ) 0 0 3.5 !C8 M   
assign (resid  5  and name HD1* ) (resid   2 and name HA   ) 0 0 6.5 !C8 w   
assign (resid  5  and name HD2* ) (resid   2 and name HA   ) 0 0 6.5 !C8 w   

!residue Gla3
assign (resid   2 and name HN   ) (resid   3 and name HN   ) 0 0 3.5 ! A1 M 
assign (resid   2 and name HA   ) (resid   3 and name HN   ) 0 0 3.5 !B1 W     
assign (resid   3 and name HA   ) (resid   3 and name HN   ) 0 0 3.5 !B2 M  
assign (resid   1 and name HA*  ) (resid   3 and name HN   ) 0 0 6.0 !B3 W  
assign (resid   3 and name HG   ) (resid   3 and name HN   ) 0 0 3.5 !B4 M  
assign (resid   2 and name HG*  ) (resid   3 and name HN   ) 0 0 6.0 !B6 W  
assign (resid   3 and name HB1  ) (resid   3 and name HN   ) 0 0 3.5 !B7 m  
assign (resid   3 and name HB2  ) (resid   3 and name HN   ) 0 0 3.5 !B7 m  
assign (resid   2 and name HB*  ) (resid   3 and name HN   ) 0 0 4.5 !B8 m  
assign (resid   5 and name HN   ) (resid   3 and name HN   ) 0 0 5.0 !B8 w  

!residue Gla4
assign (resid   3 and name HN    ) (resid   4 and name HN   ) 0 0 2.7 !A2 S     
assign (resid   3 and name HA    ) (resid   4 and name HN   ) 0 0 3.5 !B48 W 
assign (resid   4 and name HG    ) (resid   4 and name HN   ) 0 0 3.5 !B50 M   
assign (resid   4 and name HB*   ) (resid   4 and name HN   ) 0 0 3.7 !B52 s   
assign (resid   3 and name HB*   ) (resid   4 and name HN   ) 0 0 6.5 !B53 w   
assign (resid   5 and name HD**  ) (resid   4 and name HN   ) 0 0 9.0 !B53 vw  
assign (resid   5 and name HB*   ) (resid   4 and name HN   ) 0 0 6.0 !B53 w   
assign (resid   5 and name HG    ) (resid   4 and name HN   ) 0 0 6.0 !B53 vw 

!residue Leu5
assign (resid  5  and name HA   ) (resid   5 and name HN   ) 0 0 3.5 ! B57 W
assign (resid  4  and name HA   ) (resid   5 and name HN   ) 0 0 3.5 ! B59 M
assign (resid  1  and name HA*  ) (resid   5 and name HN   ) 0 0 6.0 ! B59 w
assign (resid  5  and name HB*  ) (resid   5 and name HN   ) 0 0 4.5 ! B61 S
assign (resid  6  and name HB*  ) (resid   5 and name HN   ) 0 0 7.9 ! B61 vw
assign (resid  5  and name HG   ) (resid   5 and name HN   ) 0 0 3.5 ! B61 S
assign (resid  5  and name HD1* ) (resid   5 and name HN   ) 0 0 6.5 ! B61 w
assign (resid  5  and name HD2* ) (resid   5 and name HN   ) 0 0 6.5 ! B61 w
assign (resid  4  and name HB*  ) (resid   5 and name HN   ) 0 0 4.5 ! B63 M
assign (resid  8  and name HB*  ) (resid   5 and name HA   ) 0 0 4.5 ! C3 m   

!residue Gln6
assign (resid  5  and name HN    ) (resid   6 and name HN   ) 0 0 2.7 !A10 s 
assign (resid  5  and name HA    ) (resid   6 and name HN   ) 0 0 3.5 !B35 m    
assign (resid  3  and name HA    ) (resid   6 and name HN   ) 0 0 5.0 !B37 W  
assign (resid  6  and name HA    ) (resid   6 and name HN   ) 0 0 3.5 !B39 M 
assign (resid  5  and name HB*   ) (resid   6 and name HN   ) 0 0 6.0 !B40 W 
assign (resid  5  and name HG    ) (resid   6 and name HN   ) 0 0 5.0 !B41 W 
assign (resid  7  and name HG    ) (resid   6 and name HN   ) 0 0 5.0 !B41 w 
assign (resid  5  and name HD**  ) (resid   6 and name HN   ) 0 0 8.0 !B41 W 
assign (resid  6  and name HG*   ) (resid   6 and name HN   ) 0 0 6.0 !B42 w 
assign (resid  6  and name HB*   ) (resid   6 and name HN   ) 0 0 4.5 !B43 m 
assign (resid  9  and name HG*   ) (resid   6 and name HA   ) 0 0 6.0 !C25 w 

!residue Gla7
assign (resid   6 and name HN   ) (resid   7 and name HN   ) 0 0 3.5 !A11 m      
assign (resid   6 and name HA   ) (resid   7 and name HN   ) 0 0 3.5 !A12 m      
assign (resid   6 and name HB*  ) (resid   7 and name HN   ) 0 0 4.5 !B145 M  
assign (resid   7 and name HB*  ) (resid   7 and name HN   ) 0 0 4.5 !B145 M  
assign (resid   7 and name HG   ) (resid   7 and name HN   ) 0 0 5.0 !B145 w  

!residue Asn8
assign (resid   8 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 !B162 m  
assign (resid   7 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 !B162 m  
assign (resid   9 and name HA   ) (resid   8 and name HN   ) 0 0 6.0 !B163 vw   
assign (resid   8 and name HB*  ) (resid   8 and name HN   ) 0 0 3.7 !B165 s  
assign (resid   7 and name HB*  ) (resid   8 and name HN   ) 0 0 4.5 !B167 m   
assign (resid   9 and name HB*  ) (resid   8 and name HN   ) 0 0 6.0 !B167 w   
assign (resid   8 and name H1   ) (resid   8 and name HN   ) 0 0 5.0 !B167 w   
assign (resid   5 and name HD** ) (resid   8 and name HN   ) 0 0 9.0 !B167 w   
assign (resid  11 and name HB1  ) (resid   8 and name HA   ) 0 0 5.0 !C9 w     
assign (resid  11 and name HB2  ) (resid   8 and name HA   ) 0 0 5.0 !C10 w    
assign (resid  11 and name HG2* ) (resid   8 and name HA   ) 0 0 6.5 !C9 w     
assign (resid  11 and name HD1* ) (resid   8 and name HA   ) 0 0 6.5 !C9 w     

!residue Leu9
assign (resid  8  and name HN    ) (resid   9 and name HN   ) 0 0 3.5 !A24 m  
assign (resid 11  and name HN    ) (resid   9 and name HN   ) 0 0 5.0 !A24 w  
assign (resid  8  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 !B114 m 
assign (resid  7  and name HA    ) (resid   9 and name HN   ) 0 0 5.0 !B115 w 
assign (resid  9  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 !B116 m 
assign (resid  6  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 !B117 m 
assign (resid  8  and name HB*   ) (resid   9 and name HN   ) 0 0 4.5 !B118 m 
assign (resid  9  and name HG*   ) (resid   9 and name HN   ) 0 0 4.5 !B122 m 
assign (resid  9  and name HB*   ) (resid   9 and name HN   ) 0 0 3.7 !B123 s 
assign (resid  5  and name HD**  ) (resid   9 and name HN   ) 0 0 9.0 !B123 s 
assign (resid 12  and name HB*   ) (resid   9 and name HA   ) 0 0 4.5 !C21 m  
assign (resid 12  and name HD1*  ) (resid   9 and name HA   ) 0 0 6.5 !C23 w  
assign (resid 12  and name HD2*  ) (resid   9 and name HA   ) 0 0 6.5 !C24 w 

!residue Gla10
assign (resid  9  and name HN     ) (resid   10 and name HN   ) 0 0 2.7 ! A13 s
assign (resid  10 and name HA     ) (resid   10 and name HN   ) 0 0 3.5 ! B66 m
assign (resid  7  and name HA     ) (resid   10 and name HN   ) 0 0 5.0 ! B67 w
assign (resid  8  and name HA     ) (resid   10 and name HN   ) 0 0 5.0 ! B67 w
assign (resid  9  and name HA     ) (resid   10 and name HN   ) 0 0 3.5 ! B68 m
assign (resid  10 and name HG     ) (resid   10 and name HN   ) 0 0 5.0 ! B70 w 
assign (resid  10 and name HB*    ) (resid   10 and name HN   ) 0 0 4.5 ! B71 m  
assign (resid  9  and name HG     ) (resid   10 and name HN   ) 0 0 5.0 ! B73 w  
assign (resid   9 and name HB*    ) (resid   10 and name HN   ) 0 0 4.5 ! B74 m  
assign (resid  13 and name HB*    ) (resid   10 and name HA   ) 0 0 4.5 ! C17 m  
assign (resid  12 and name HN     ) (resid   10 and name HN   ) 0 0 5.0 ! C17 w  

!residue Leu11
assign (resid  10  and name HN    ) (resid   11 and name HN   ) 0 0 2.7 !A4 s  
assign (resid  11  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !B15 M 
assign (resid  10  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !B16 M 
assign (resid   8  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !B17 m 
assign (resid  12  and name HA    ) (resid   11 and name HN   ) 0 0 6.0 !B19 vw
assign (resid  11  and name HB*   ) (resid   11 and name HN   ) 0 0 4.5 !B20 m
assign (resid  11  and name HG    ) (resid   11 and name HN   ) 0 0 3.5 !B21 m
assign (resid  11  and name HD1*  ) (resid   11 and name HN   ) 0 0 6.5 !B21 w
assign (resid  11  and name HD2*  ) (resid   11 and name HN   ) 0 0 6.5 !B21 w
assign (resid  10  and name HB*   ) (resid   11 and name HN   ) 0 0 3.5 !B22 m
assign (resid   8  and name HB*   ) (resid   11 and name HN   ) 0 0 6.0 !B23 w
assign (resid  12  and name HB*   ) (resid   11 and name HN   ) 0 0 6.0 !B23 w
assign (resid  10  and name HG    ) (resid   11 and name HN   ) 0 0 6.0 !B24 vw
assign (resid  14  and name HB*   ) (resid   11 and name HA   ) 0 0 4.5 !C1 M   

!residue Ile12
assign (resid  11  and name HN   ) (resid   12 and name HN   ) 0 0 2.7 !A5 s   
assign (resid  14  and name HN   ) (resid   12 and name HN   ) 0 0 5.0 !A5 w   
assign (resid  11  and name HA   ) (resid   12 and name HN   ) 0 0 3.5 !B81 m  
assign (resid  12  and name HA   ) (resid   12 and name HN   ) 0 0 3.5 !B82 m  
assign (resid   9  and name HA   ) (resid   12 and name HN   ) 0 0 3.5 !B83 m 
assign (resid  10  and name HA   ) (resid   12 and name HN   ) 0 0 5.0 !B83 w 
assign (resid  10  and name HB*  ) (resid   12 and name HN   ) 0 0 7.0 !B83 vw
assign (resid  11  and name HB*  ) (resid   12 and name HN   ) 0 0 4.5 !B84 m  
assign (resid  11  and name HG   ) (resid   12 and name HN   ) 0 0 5.0 !B85 w 
assign (resid  12  and name HB   ) (resid   12 and name HN   ) 0 0 2.7 !B86 s 
assign (resid  12  and name HG*  ) (resid   12 and name HN   ) 0 0 4.5 !B87 m 
assign (resid  12  and name HD1* ) (resid   12 and name HN   ) 0 0 6.5 !B88 w 
assign (resid  12  and name HD2* ) (resid   12 and name HN   ) 0 0 6.5 !B89 w 

!residue Arg13
assign (resid  12  and name HN   ) (resid   13 and name HN   ) 0 0 2.7 !A14 s
assign (resid  10  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !B94 m 
assign (resid  12  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !B95 M
assign (resid  13  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !B96 M
assign (resid  13  and name HD*  ) (resid   13 and name HN   ) 0 0 7.0 !B98 vW
assign (resid  13  and name HB*  ) (resid   13 and name HN   ) 0 0 3.7 !B99 s
assign (resid  13  and name HG1  ) (resid   13 and name HN   ) 0 0 5.0 !B102 W
assign (resid  13  and name HG2  ) (resid   13 and name HN   ) 0 0 5.0 !B102 W
assign (resid  12  and name HD1* ) (resid   13 and name HN   ) 0 0 7.5 !B105 vw
assign (resid  12  and name HD2* ) (resid   13 and name HN   ) 0 0 7.5 !B105 vw
assign (resid  13  and name HD*  ) (resid   13 and name HH** ) 0 0 5.5 !B180 M
assign (resid  13  and name HB*  ) (resid   13 and name HH** ) 0 0 7.0 !B182 W
assign (resid  13  and name HG1  ) (resid   13 and name HH** ) 0 0 7.0 !B184 W
assign (resid  13  and name HG2  ) (resid   13 and name HH** ) 0 0 7.0 !B184 W
assign (resid  16  and name HB*  ) (resid   13 and name HA   ) 0 0 6.0 !C18 M  
 
!residue Gla14
assign (resid  13  and name HN   ) (resid   14 and name HN   ) 0 0 3.5 !A8 M 
assign (resid  14  and name HA    ) (resid   14 and name HN   ) 0 0 3.5 !B27 M  
assign (resid  12  and name HA    ) (resid   14 and name HN   ) 0 0 5.0 ! m     
assign (resid  13  and name HA    ) (resid   14 and name HN   ) 0 0 3.5 !B28 W 
assign (resid  14  and name HG    ) (resid   14 and name HN   ) 0 0 3.5 !B29 M 
assign (resid  14  and name HB*   ) (resid   14 and name HN   ) 0 0 4.5 !B30 +B31 M
assign (resid  13  and name HB*   ) (resid   14 and name HN   ) 0 0 4.5 !B32m
assign (resid  13  and name HG1   ) (resid   14 and name HN   ) 0 0 5.0 !B34 W 
assign (resid  13  and name HG2   ) (resid   14 and name HN   ) 0 0 5.0 !B34 W 
assign (resid  11  and name HD1*  ) (resid   14 and name HN   ) 0 0 6.5 !B34 w 

!residue Lys15
assign (resid  14  and name HN   ) (resid   15 and name HN   ) 0 0 3.5 ! A6 M
!assign (resid  14/15 and name HA   ) (resid   15 and name HN   ) 0 0     ! B106 OL
assign (resid  12  and name HA   ) (resid   15 and name HN   ) 0 0 5.0 ! B107 w 
assign (resid  13  and name HA   ) (resid   15 and name HN   ) 0 0 6.0 ! B107 w 
assign (resid  14  and name HB*  ) (resid   15 and name HN   ) 0 0 4.5 !B109 m 
assign (resid  14  and name HG   ) (resid   15 and name HN   ) 0 0 6.0 !B109 vw
assign (resid  15  and name HB*  ) (resid   15 and name HN   ) 0 0 4.5 !B111 m
assign (resid  15  and name HD*  ) (resid   15 and name HN   ) 0 0 6.0 !B112 vW
assign (resid  15  and name HG1  ) (resid   15 and name HN   ) 0 0 5.0 !B112 w 
assign (resid  15  and name HG2  ) (resid   15 and name HN   ) 0 0 5.0 !B112 w 
assign (resid  12  and name HD** ) (resid   15 and name HN   ) 0 0 9.0 !B112 vw
assign (resid  11  and name HD1* ) (resid   15 and name HN   ) 0 0 6.5 ! w      

! residue Ser16
assign (resid  15  and name HN   ) (resid   16 and name HN   ) 0 0 3.5 !A23 m 
assign (resid  15  and name HA   ) (resid   16 and name HN   ) 0 0 3.5 !B170 m
assign (resid  16  and name HA   ) (resid   16 and name HN   ) 0 0 3.5 !B171 m
assign (resid  16  and name HB*  ) (resid   16 and name HN   ) 0 0 4.7 !B172 s 
assign (resid  15  and name HB*  ) (resid   16 and name HN   ) 0 0 4.5 !B173 m
assign (resid  13  and name HA   ) (resid   16 and name HN   ) 0 0 5.0 !B174 w

!residue Asn17
assign (resid  16  and name HA   ) (resid   17 and name HN   ) 0 0 3.5 !A161 m
assign (resid  17  and name HA   ) (resid   17 and name HN   ) 0 0 3.5 !B149 m
assign (resid  17  and name HB*  ) (resid   17 and name HN   ) 0 0 4.5 !B150 m
assign (resid  17  and name H1   ) (resid   17 and name HN   ) 0 0 5.0  B150 w
assign (resid  16  and name HB*  ) (resid   17 and name HN   ) 0 0 6.0 !B151 w
assign (resid  15  and name HB*  ) (resid   17 and name HN   ) 0 0 6.0 !B151 w

! Terminal NH2
!
!dihed.tbl
! phi angles
!! 1   
 assign (resid   1 and name C )   (resid   2 and name N ) 
        (resid   2 and name CA)   (resid   2 and name C )   1 -65.0   30.0  2
!! 2
 assign (resid   2 and name C )   (resid   3 and name N ) 
        (resid   3 and name CA)   (resid   3 and name C )   1 -65.0   30.0  2
!! 3   
 assign (resid   3 and name C )   (resid   4 and name N ) 
        (resid   4 and name CA)   (resid   4 and name C )   1 -65.0   40.0  2
!! 4   
 assign (resid   4 and name C )   (resid   5 and name N ) 
        (resid   5 and name CA)   (resid   5 and name C )   1 -65.0   30.0  2
!! 5
 assign (resid   5 and name C )   (resid   6 and name N ) 
        (resid   6 and name CA)   (resid   6 and name C )   1 -65.0    30.0  2
!! 6
 assign (resid   6 and name C )   (resid   7 and name N ) 
        (resid   7 and name CA)   (resid   7 and name C )   1 -65.0    40.0  2
!! 8
 assign (resid   7 and name C )   (resid   8 and name N ) 
        (resid   8 and name CA)   (resid   8 and name C )   1 -65.0    30.0  2
!! 9   
 assign (resid   8 and name C )   (resid   9 and name N ) 
        (resid   9 and name CA)   (resid   9 and name C )   1 -65.0   30.0  2
!! 10
 assign (resid  9 and name C )    (resid  10 and name N )
        (resid 10 and name CA)    (resid  10 and name C )   1 -65.0   30.0  2
!! 11
 assign (resid 10 and name C )    (resid  11 and name N )
        (resid 11 and name CA)    (resid  11 and name C )   1 -65.0   30.0  2 
!! 12
 assign (resid 11 and name C )    (resid  12 and name N )
        (resid 12 and name CA)    (resid  12 and name C )   1 -65.0   30.0  2
!! 13
 assign (resid 12 and name C )    (resid  13 and name N )
        (resid 13 and name CA)    (resid  13 and name C )   1 -65.0   30.0  2
!! 14
 assign (resid 13 and name C )    (resid  14 and name N )
        (resid 14 and name CA)    (resid  14 and name C )   1 -65.0   30.0  2
!! 15
 assign (resid 14 and name C )    (resid  15 and name N )
        (resid 15 and name CA)    (resid  15 and name C )   1 -65.0   40.0  2


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLY   1          2H        GLY   1  -6.094  11.660  11.660
    2   2H    GLY   1          1H        GLY   1  -5.903  13.063  13.063
    3   3H    GLY   1          3H        GLY   1  -5.000  12.865  12.865
    4   1HA   GLY   1          1HA       GLY   1  -3.847  11.025  11.025
    5   2HA   GLY   1          2HA       GLY   1  -3.698  12.492  12.492
    6    H    GLU   2           H        GLU   2  -6.418  12.231  12.231
    7    HA   GLU   2           HA       GLU   2  -6.063  10.825  10.825
    8   1HB   GLU   2          2HB       GLU   2  -8.635  11.518  11.518
    9   2HB   GLU   2          1HB       GLU   2  -8.563  11.005  11.005
   10   1HG   GLU   2          2HG       GLU   2  -7.077  12.953  12.953
   11   2HG   GLU   2          1HG       GLU   2  -7.180  13.480  13.480
   12   1HN   CGU   3           HN       GLA   3  -7.483   9.708   9.708
   13    HA   CGU   3           HA       GLA   3  -8.367   7.168   7.168
   14   1HB   CGU   3          1HB       GLA   3  -9.589   7.633   7.633
   15   2HB   CGU   3          2HB       GLA   3  -8.346   6.675   6.675
   16    HG   CGU   3           HG       GLA   3  -8.745   8.513   8.513
   17   1HN   CGU   4           HN       GLA   4  -5.402   8.410   8.410
   18    HA   CGU   4           HA       GLA   4  -4.197   5.710   5.710
   19   1HB   CGU   4          1HB       GLA   4  -2.197   7.384   7.384
   20   2HB   CGU   4          2HB       GLA   4  -3.573   8.406   8.406
   21    HG   CGU   4           HG       GLA   4  -4.600   6.443   6.443
   22    H    LEU   5           H        LEU   5  -4.725   7.921   7.921
   23    HA   LEU   5           HA       LEU   5  -2.070   7.815   7.815
   24   1HB   LEU   5          2HB       LEU   5  -4.551   9.453   9.453
   25   2HB   LEU   5          1HB       LEU   5  -3.605   9.259   9.259
   26    HG   LEU   5           HG       LEU   5  -2.294  10.136  10.136
   27   1HD1  LEU   5          2HD1      LEU   5  -3.528  11.912  11.912
   28   2HD1  LEU   5          1HD1      LEU   5  -2.514  12.481  12.481
   29   3HD1  LEU   5          3HD1      LEU   5  -4.083  11.786  11.786
   30   1HD2  LEU   5          1HD2      LEU   5  -0.811   9.346   9.346
   31   2HD2  LEU   5          3HD2      LEU   5  -0.596  11.058  11.058
   32   3HD2  LEU   5          2HD2      LEU   5  -1.542  10.531  10.531
   33    H    GLN   6           H        GLN   6  -5.311   7.461   7.461
   34    HA   GLN   6           HA       GLN   6  -4.266   5.450   5.450
   35   1HB   GLN   6          2HB       GLN   6  -6.981   5.902   5.902
   36   2HB   GLN   6          1HB       GLN   6  -5.605   6.614   6.614
   37   1HG   GLN   6          2HG       GLN   6  -5.750   8.652   8.652
   38   2HG   GLN   6          1HG       GLN   6  -6.729   7.974   7.974
   39   1HE2  GLN   6          2HE2      GLN   6  -8.818   9.999   9.999
   40   2HE2  GLN   6          1HE2      GLN   6  -7.342  10.329  10.329
   41   1HN   CGU   7           HN       GLA   7  -6.720   5.944   5.944
   42    HA   CGU   7           HA       GLA   7  -8.035   3.431   3.431
   43   1HB   CGU   7          1HB       GLA   7  -8.633   4.151   4.151
   44   2HB   CGU   7          2HB       GLA   7  -7.704   5.582   5.582
   45    HG   CGU   7           HG       GLA   7  -9.849   6.182   6.182
   46    H    ASN   8           H        ASN   8  -5.079   4.413   4.413
   47    HA   ASN   8           HA       ASN   8  -4.849   2.163   2.163
   48   1HB   ASN   8          2HB       ASN   8  -3.460   4.255   4.255
   49   2HB   ASN   8          1HB       ASN   8  -2.570   3.783   3.783
   50   1HD2  ASN   8          2HD2      ASN   8  -0.647   1.340   1.340
   51   2HD2  ASN   8          1HD2      ASN   8  -1.061   2.017   2.017
   52    H    GLN   9           H        GLN   9  -4.122   2.771   2.771
   53    HA   GLN   9           HA       GLN   9  -2.478   0.466   0.466
   54   1HB   GLN   9          2HB       GLN   9  -2.802   2.646   2.646
   55   2HB   GLN   9          1HB       GLN   9  -4.170   1.807   1.807
   56   1HG   GLN   9          2HG       GLN   9  -2.357  -0.169  -0.169
   57   2HG   GLN   9          1HG       GLN   9  -1.227   1.172   1.172
   58   1HE2  GLN   9          2HE2      GLN   9  -3.817   0.979   0.979
   59   2HE2  GLN   9          1HE2      GLN   9  -4.181   0.136   0.136
   60   1HN   CGU  10           HN       GLA  10  -5.788   0.753   0.753
   61    HA   CGU  10           HA       GLA  10  -6.470  -1.691  -1.691
   62   1HB   CGU  10          1HB       GLA  10  -8.772  -1.199  -1.199
   63   2HB   CGU  10          2HB       GLA  10  -8.065   0.361   0.361
   64    HG   CGU  10           HG       GLA  10  -9.513   0.355   0.355
   65    H    LEU  11           H        LEU  11  -6.511  -0.546  -0.546
   66    HA   LEU  11           HA       LEU  11  -7.032  -3.157  -3.157
   67   1HB   LEU  11          2HB       LEU  11  -6.383  -2.098  -2.098
   68   2HB   LEU  11          1HB       LEU  11  -7.567  -1.187  -1.187
   69    HG   LEU  11           HG       LEU  11  -5.465   0.113   0.113
   70   1HD1  LEU  11          2HD1      LEU  11  -4.284  -1.546  -1.546
   71   2HD1  LEU  11          1HD1      LEU  11  -3.926   0.162   0.162
   72   3HD1  LEU  11          3HD1      LEU  11  -3.497  -0.681  -0.681
   73   1HD2  LEU  11          2HD2      LEU  11  -6.789   0.457   0.457
   74   2HD2  LEU  11          1HD2      LEU  11  -7.070   1.337   1.337
   75   3HD2  LEU  11          3HD2      LEU  11  -5.605   1.622   1.622
   76    H    ILE  12           H        ILE  12  -4.084  -1.654  -1.654
   77    HA   ILE  12           HA       ILE  12  -2.380  -3.494  -3.494
   78    HB   ILE  12           HB       ILE  12  -1.802  -1.059  -1.059
   79   1HG1  ILE  12          2HG1      ILE  12   0.643  -1.726  -1.726
   80   2HG1  ILE  12          1HG1      ILE  12   0.129  -3.395  -3.395
   81   1HG2  ILE  12          2HG2      ILE  12  -2.396  -1.628  -1.628
   82   2HG2  ILE  12          1HG2      ILE  12  -0.853  -2.457  -2.457
   83   3HG2  ILE  12          3HG2      ILE  12  -0.906  -0.740  -0.740
   84   1HD1  ILE  12          1HD1      ILE  12  -0.622  -1.420  -1.420
   85   2HD1  ILE  12          3HD1      ILE  12   0.970  -2.158  -2.158
   86   3HD1  ILE  12          2HD1      ILE  12  -0.459  -3.167  -3.167
   87    H    ARG  13           H        ARG  13  -4.151  -3.521  -3.521
   88    HA   ARG  13           HA       ARG  13  -2.544  -5.678  -5.678
   89   1HB   ARG  13          2HB       ARG  13  -4.216  -3.568  -3.568
   90   2HB   ARG  13          1HB       ARG  13  -5.039  -5.049  -5.049
   91   1HG   ARG  13          2HG       ARG  13  -2.122  -4.508  -4.508
   92   2HG   ARG  13          1HG       ARG  13  -3.442  -4.255  -4.255
   93   1HD   ARG  13          2HD       ARG  13  -3.039  -6.444  -6.444
   94   2HD   ARG  13          1HD       ARG  13  -3.930  -6.875  -6.875
   95    HE   ARG  13           HE       ARG  13  -1.269  -6.367  -6.367
   96   1HH1  ARG  13          2HH1      ARG  13  -3.028  -8.531  -8.531
   97   2HH1  ARG  13          1HH1      ARG  13  -1.898  -9.832  -9.832
   98   1HH2  ARG  13          1HH2      ARG  13   0.182  -7.961  -7.961
   99   2HH2  ARG  13          2HH2      ARG  13  -0.024  -9.496  -9.496
  100   1HN   CGU  14           HN       GLA  14  -5.686  -5.038  -5.038
  101    HA   CGU  14           HA       GLA  14  -6.539  -7.863  -7.863
  102   1HB   CGU  14          1HB       GLA  14  -8.753  -6.950  -6.950
  103   2HB   CGU  14          2HB       GLA  14  -8.029  -5.373  -5.373
  104    HG   CGU  14           HG       GLA  14  -7.161  -6.290  -6.290
  105    H    LYS  15           H        LYS  15  -6.323  -5.390  -5.390
  106    HA   LYS  15           HA       LYS  15  -6.725  -7.425  -7.425
  107   1HB   LYS  15          2HB       LYS  15  -7.291  -4.711  -4.711
  108   2HB   LYS  15          1HB       LYS  15  -5.868  -4.680  -4.680
  109   1HG   LYS  15          2HG       LYS  15  -6.892  -6.235  -6.235
  110   2HG   LYS  15          1HG       LYS  15  -8.301  -6.418  -6.418
  111   1HD   LYS  15          2HD       LYS  15  -7.421  -3.700  -3.700
  112   2HD   LYS  15          1HD       LYS  15  -8.492  -4.746  -4.746
  113   1HE   LYS  15          2HE       LYS  15  -9.954  -4.813  -4.813
  114   2HE   LYS  15          1HE       LYS  15  -9.004  -3.421  -3.421
  115   1HZ   LYS  15          1HZ       LYS  15 -10.488  -3.596  -3.596
  116   2HZ   LYS  15          3HZ       LYS  15 -11.069  -2.844  -2.844
  117   3HZ   LYS  15          2HZ       LYS  15  -9.689  -2.234  -2.234
  118    H    SER  16           H        SER  16  -4.478  -7.827  -7.827
  119    HA   SER  16           HA       SER  16  -2.389  -8.112  -8.112
  120   1HB   SER  16          2HB       SER  16  -2.245  -5.768  -5.768
  121   2HB   SER  16          1HB       SER  16  -1.292  -6.877  -6.877
  122    HG   SER  16           HG       SER  16   0.058  -6.090  -6.090
  123    H    ASN  17           H        ASN  17  -3.663  -8.576  -8.576
  124    HA   ASN  17           HA       ASN  17  -3.579 -10.299 -10.299
  125   1HB   ASN  17          2HB       ASN  17  -3.298 -11.559 -11.559
  126   2HB   ASN  17          1HB       ASN  17  -2.189 -12.384 -12.384
  127   1HD2  ASN  17          2HD2      ASN  17  -6.221 -12.643 -12.643
  128   2HD2  ASN  17          1HD2      ASN  17  -5.597 -11.443 -11.443
  129   1HN   NH2  18          1HT       ASN  17  -2.158  -9.828  -9.828
  130   2HN   NH2  18          2HT       ASN  17  -0.477 -10.064 -10.064

  Start of MODEL    2
    1   1H    GLY   1          3H        GLY   1   0.529  12.093  12.093
    2   2H    GLY   1          2H        GLY   1   2.139  12.461  12.461
    3   3H    GLY   1          1H        GLY   1   1.300  11.282  11.282
    4   1HA   GLY   1          1HA       GLY   1   2.818  10.259  10.259
    5   2HA   GLY   1          2HA       GLY   1   2.019  11.140  11.140
    6    H    GLU   2           H        GLU   2   1.519   9.166   9.166
    7    HA   GLU   2           HA       GLU   2  -0.357   7.357   7.357
    8   1HB   GLU   2          2HB       GLU   2   1.692   6.676   6.676
    9   2HB   GLU   2          1HB       GLU   2   0.593   6.967   6.967
   10   1HG   GLU   2          2HG       GLU   2  -0.680   5.331   5.331
   11   2HG   GLU   2          1HG       GLU   2   0.801   4.602   4.602
   12   1HN   CGU   3           HN       GLA   3  -0.381   9.871   9.871
   13    HA   CGU   3           HA       GLA   3  -2.699   9.273   9.273
   14   1HB   CGU   3          1HB       GLA   3  -2.653  11.523  11.523
   15   2HB   CGU   3          2HB       GLA   3  -1.949  12.102  12.102
   16    HG   CGU   3           HG       GLA   3  -0.317  10.126  10.126
   17   1HN   CGU   4           HN       GLA   4  -2.254  10.398  10.398
   18    HA   CGU   4           HA       GLA   4  -5.115  11.075  11.075
   19   1HB   CGU   4          1HB       GLA   4  -3.868  12.842  12.842
   20   2HB   CGU   4          2HB       GLA   4  -4.052  11.807  11.807
   21    HG   CGU   4           HG       GLA   4  -1.784  10.730  10.730
   22    H    LEU   5           H        LEU   5  -2.543   8.910   8.910
   23    HA   LEU   5           HA       LEU   5  -4.202   7.409   7.409
   24   1HB   LEU   5          2HB       LEU   5  -1.290   7.141   7.141
   25   2HB   LEU   5          1HB       LEU   5  -2.016   6.124   6.124
   26    HG   LEU   5           HG       LEU   5  -1.714   9.152   9.152
   27   1HD1  LEU   5          1HD1      LEU   5   0.387   7.737   7.737
   28   2HD1  LEU   5          3HD1      LEU   5  -0.385   7.026   7.026
   29   3HD1  LEU   5          2HD1      LEU   5  -0.028   8.745   8.745
   30   1HD2  LEU   5          1HD2      LEU   5  -3.025   7.187   7.187
   31   2HD2  LEU   5          3HD2      LEU   5  -3.698   8.673   8.673
   32   3HD2  LEU   5          2HD2      LEU   5  -2.425   8.745   8.745
   33    H    GLN   6           H        GLN   6  -4.682   7.545   7.545
   34    HA   GLN   6           HA       GLN   6  -4.006   5.061   5.061
   35   1HB   GLN   6          2HB       GLN   6  -4.986   7.340   7.340
   36   2HB   GLN   6          1HB       GLN   6  -6.540   6.597   6.597
   37   1HG   GLN   6          2HG       GLN   6  -6.044   4.735   4.735
   38   2HG   GLN   6          1HG       GLN   6  -4.368   5.245   5.245
   39   1HE2  GLN   6          2HE2      GLN   6  -7.303   7.161   7.161
   40   2HE2  GLN   6          1HE2      GLN   6  -7.710   6.074   6.074
   41   1HN   CGU   7           HN       GLA   7  -6.250   5.941   5.941
   42    HA   CGU   7           HA       GLA   7  -8.133   3.723   3.723
   43   1HB   CGU   7          1HB       GLA   7  -9.230   4.671   4.671
   44   2HB   CGU   7          2HB       GLA   7  -7.782   5.468   5.468
   45    HG   CGU   7           HG       GLA   7  -8.936   6.206   6.206
   46    H    ASN   8           H        ASN   8  -5.391   4.674   4.674
   47    HA   ASN   8           HA       ASN   8  -5.336   2.399   2.399
   48   1HB   ASN   8          2HB       ASN   8  -4.216   4.711   4.711
   49   2HB   ASN   8          1HB       ASN   8  -2.984   4.177   4.177
   50   1HD2  ASN   8          2HD2      ASN   8  -2.836   2.941   2.941
   51   2HD2  ASN   8          1HD2      ASN   8  -3.989   4.063   4.063
   52    H    GLN   9           H        GLN   9  -4.197   3.132   3.132
   53    HA   GLN   9           HA       GLN   9  -2.284   1.007   1.007
   54   1HB   GLN   9          2HB       GLN   9  -2.614   3.224   3.224
   55   2HB   GLN   9          1HB       GLN   9  -3.842   2.343   2.343
   56   1HG   GLN   9          2HG       GLN   9  -1.533   0.627   0.627
   57   2HG   GLN   9          1HG       GLN   9  -0.936   2.234   2.234
   58   1HE2  GLN   9          2HE2      GLN   9  -3.215   0.226   0.226
   59   2HE2  GLN   9          1HE2      GLN   9  -2.999  -0.382  -0.382
   60   1HN   CGU  10           HN       GLA  10  -5.603   0.971   0.971
   61    HA   CGU  10           HA       GLA  10  -5.972  -1.457  -1.457
   62   1HB   CGU  10          1HB       GLA  10  -7.857   0.356   0.356
   63   2HB   CGU  10          2HB       GLA  10  -7.770   0.161   0.161
   64    HG   CGU  10           HG       GLA  10  -8.245  -2.450  -2.450
   65    H    LEU  11           H        LEU  11  -5.900  -0.266  -0.266
   66    HA   LEU  11           HA       LEU  11  -6.731  -2.570  -2.570
   67   1HB   LEU  11          2HB       LEU  11  -6.396  -1.212  -1.212
   68   2HB   LEU  11          1HB       LEU  11  -5.864  -0.001  -0.001
   69    HG   LEU  11           HG       LEU  11  -3.462  -0.903  -0.903
   70   1HD1  LEU  11          3HD1      LEU  11  -4.956  -2.785  -2.785
   71   2HD1  LEU  11          2HD1      LEU  11  -3.667  -1.974  -1.974
   72   3HD1  LEU  11          1HD1      LEU  11  -3.304  -2.885  -2.885
   73   1HD2  LEU  11          1HD2      LEU  11  -4.547   1.143   1.143
   74   2HD2  LEU  11          3HD2      LEU  11  -3.150   0.470   0.470
   75   3HD2  LEU  11          2HD2      LEU  11  -4.768   0.140   0.140
   76    H    ILE  12           H        ILE  12  -3.574  -1.669  -1.669
   77    HA   ILE  12           HA       ILE  12  -2.160  -3.900  -3.900
   78    HB   ILE  12           HB       ILE  12  -0.944  -1.892  -1.892
   79   1HG1  ILE  12          2HG1      ILE  12  -0.004  -4.029  -4.029
   80   2HG1  ILE  12          1HG1      ILE  12   0.107  -4.297  -4.297
   81   1HG2  ILE  12          2HG2      ILE  12  -1.818  -2.556  -2.556
   82   2HG2  ILE  12          1HG2      ILE  12  -0.673  -1.297  -1.297
   83   3HG2  ILE  12          3HG2      ILE  12  -2.333  -1.187  -1.187
   84   1HD1  ILE  12          2HD1      ILE  12   1.406  -2.136  -2.136
   85   2HD1  ILE  12          1HD1      ILE  12   1.407  -2.025  -2.025
   86   3HD1  ILE  12          3HD1      ILE  12   2.217  -3.363  -3.363
   87    H    ARG  13           H        ARG  13  -3.993  -3.441  -3.441
   88    HA   ARG  13           HA       ARG  13  -3.090  -5.841  -5.841
   89   1HB   ARG  13          2HB       ARG  13  -4.031  -3.936  -3.936
   90   2HB   ARG  13          1HB       ARG  13  -5.573  -4.118  -4.118
   91   1HG   ARG  13          2HG       ARG  13  -6.133  -6.078  -6.078
   92   2HG   ARG  13          1HG       ARG  13  -4.466  -6.529  -6.529
   93   1HD   ARG  13          2HD       ARG  13  -4.872  -4.081  -4.081
   94   2HD   ARG  13          1HD       ARG  13  -6.267  -5.096  -5.096
   95    HE   ARG  13           HE       ARG  13  -3.615  -5.526  -5.526
   96   1HH1  ARG  13          1HH2      ARG  13  -6.351  -7.235  -7.235
   97   2HH1  ARG  13          2HH2      ARG  13  -5.970  -8.696  -8.696
   98   1HH2  ARG  13          2HH1      ARG  13  -3.125  -7.364  -7.364
   99   2HH2  ARG  13          1HH1      ARG  13  -4.122  -8.772  -8.772
  100   1HN   CGU  14           HN       GLA  14  -5.368  -5.234  -5.234
  101    HA   CGU  14           HA       GLA  14  -7.222  -7.337  -7.337
  102   1HB   CGU  14          1HB       GLA  14  -7.701  -7.152  -7.152
  103   2HB   CGU  14          2HB       GLA  14  -6.190  -6.295  -6.295
  104    HG   CGU  14           HG       GLA  14  -6.938  -4.465  -4.465
  105    H    LYS  15           H        LYS  15  -3.958  -7.434  -7.434
  106    HA   LYS  15           HA       LYS  15  -3.975  -9.984  -9.984
  107   1HB   LYS  15          2HB       LYS  15  -1.981  -8.037  -8.037
  108   2HB   LYS  15          1HB       LYS  15  -1.445  -9.643  -9.643
  109   1HG   LYS  15          2HG       LYS  15  -2.382  -8.908  -8.908
  110   2HG   LYS  15          1HG       LYS  15  -0.710  -8.789  -8.789
  111   1HD   LYS  15          2HD       LYS  15  -0.774 -11.243 -11.243
  112   2HD   LYS  15          1HD       LYS  15  -2.393 -11.334 -11.334
  113   1HE   LYS  15          2HE       LYS  15  -1.372 -10.403 -10.403
  114   2HE   LYS  15          1HE       LYS  15   0.196 -10.749 -10.749
  115   1HZ   LYS  15          1HZ       LYS  15  -0.708 -13.058 -13.058
  116   2HZ   LYS  15          3HZ       LYS  15  -1.964 -12.637 -12.637
  117   3HZ   LYS  15          2HZ       LYS  15  -0.355 -12.625 -12.625
  118    H    SER  16           H        SER  16  -3.528  -8.898  -8.898
  119    HA   SER  16           HA       SER  16  -3.506 -11.650 -11.650
  120   1HB   SER  16          2HB       SER  16  -1.806  -9.894  -9.894
  121   2HB   SER  16          1HB       SER  16  -3.153  -8.970  -8.970
  122    HG   SER  16           HG       SER  16  -3.673 -10.712 -10.712
  123    H    ASN  17           H        ASN  17  -5.819 -10.822 -10.822
  124    HA   ASN  17           HA       ASN  17  -7.776 -10.906 -10.906
  125   1HB   ASN  17          2HB       ASN  17  -7.328  -8.468  -8.468
  126   2HB   ASN  17          1HB       ASN  17  -8.355  -9.050  -9.050
  127   1HD2  ASN  17          2HD2      ASN  17 -10.078  -7.717  -7.717
  128   2HD2  ASN  17          1HD2      ASN  17  -8.474  -7.388  -7.388
  129   1HN   NH2  18          1HT       ASN  17  -7.016 -11.389 -11.389
  130   2HN   NH2  18          2HT       ASN  17  -8.293 -12.463 -12.463

  Start of MODEL    3
    1   1H    GLY   1          2H        GLY   1   0.777  11.578  11.578
    2   2H    GLY   1          1H        GLY   1  -0.752  12.180  12.180
    3   3H    GLY   1          3H        GLY   1   0.528  13.255  13.255
    4   1HA   GLY   1          1HA       GLY   1   1.722  12.435  12.435
    5   2HA   GLY   1          2HA       GLY   1   0.072  13.054  13.054
    6    H    GLU   2           H        GLU   2   1.765  11.106  11.106
    7    HA   GLU   2           HA       GLU   2   0.808   8.444   8.444
    8   1HB   GLU   2          2HB       GLU   2   1.996   9.871   9.871
    9   2HB   GLU   2          1HB       GLU   2   1.461   8.209   8.209
   10   1HG   GLU   2          2HG       GLU   2   3.319   9.017   9.017
   11   2HG   GLU   2          1HG       GLU   2   3.962   8.681   8.681
   12   1HN   CGU   3           HN       GLA   3  -0.579  11.164  11.164
   13    HA   CGU   3           HA       GLA   3  -2.586   9.956   9.956
   14   1HB   CGU   3          1HB       GLA   3  -3.375  12.143  12.143
   15   2HB   CGU   3          2HB       GLA   3  -2.881  12.705  12.705
   16    HG   CGU   3           HG       GLA   3  -0.824  11.902  11.902
   17   1HN   CGU   4           HN       GLA   4  -2.364  11.126  11.126
   18    HA   CGU   4           HA       GLA   4  -5.158  10.641  10.641
   19   1HB   CGU   4          1HB       GLA   4  -4.517  11.363  11.363
   20   2HB   CGU   4          2HB       GLA   4  -2.826  11.023  11.023
   21    HG   CGU   4           HG       GLA   4  -2.687  12.826  12.826
   22    H    LEU   5           H        LEU   5  -2.087   9.078   9.078
   23    HA   LEU   5           HA       LEU   5  -2.849   6.960   6.960
   24   1HB   LEU   5          2HB       LEU   5  -0.614   7.367   7.367
   25   2HB   LEU   5          1HB       LEU   5  -0.687   5.886   5.886
   26    HG   LEU   5           HG       LEU   5  -0.773   8.615   8.615
   27   1HD1  LEU   5          2HD1      LEU   5   1.692   6.912   6.912
   28   2HD1  LEU   5          1HD1      LEU   5   1.655   8.356   8.356
   29   3HD1  LEU   5          3HD1      LEU   5   1.351   8.477   8.477
   30   1HD2  LEU   5          3HD2      LEU   5  -0.215   5.772   5.772
   31   2HD2  LEU   5          2HD2      LEU   5  -1.489   6.853   6.853
   32   3HD2  LEU   5          1HD2      LEU   5   0.177   7.176   7.176
   33    H    GLN   6           H        GLN   6  -3.716   7.500   7.500
   34    HA   GLN   6           HA       GLN   6  -3.855   4.796   4.796
   35   1HB   GLN   6          2HB       GLN   6  -5.505   7.240   7.240
   36   2HB   GLN   6          1HB       GLN   6  -5.429   5.744   5.744
   37   1HG   GLN   6          2HG       GLN   6  -2.836   6.142   6.142
   38   2HG   GLN   6          1HG       GLN   6  -3.252   7.769   7.769
   39   1HE2  GLN   6          2HE2      GLN   6  -4.721   8.742   8.742
   40   2HE2  GLN   6          1HE2      GLN   6  -4.762   9.026   9.026
   41   1HN   CGU   7           HN       GLA   7  -5.610   6.438   6.438
   42    HA   CGU   7           HA       GLA   7  -8.135   4.997   4.997
   43   1HB   CGU   7          1HB       GLA   7  -7.680   7.389   7.389
   44   2HB   CGU   7          2HB       GLA   7  -8.937   6.416   6.416
   45    HG   CGU   7           HG       GLA   7  -6.170   6.244   6.244
   46    H    ASN   8           H        ASN   8  -5.198   4.658   4.658
   47    HA   ASN   8           HA       ASN   8  -6.243   2.432   2.432
   48   1HB   ASN   8          2HB       ASN   8  -4.294   2.767   2.767
   49   2HB   ASN   8          1HB       ASN   8  -4.727   4.381   4.381
   50   1HD2  ASN   8          2HD2      ASN   8  -1.347   2.675   2.675
   51   2HD2  ASN   8          1HD2      ASN   8  -2.572   1.660   1.660
   52    H    GLN   9           H        GLN   9  -4.748   2.948   2.948
   53    HA   GLN   9           HA       GLN   9  -2.866   0.928   0.928
   54   1HB   GLN   9          2HB       GLN   9  -3.358   2.653   2.653
   55   2HB   GLN   9          1HB       GLN   9  -4.958   1.998   1.998
   56   1HG   GLN   9          2HG       GLN   9  -2.495   0.265   0.265
   57   2HG   GLN   9          1HG       GLN   9  -3.036   1.382   1.382
   58   1HE2  GLN   9          2HE2      GLN   9  -4.626  -2.099  -2.099
   59   2HE2  GLN   9          1HE2      GLN   9  -3.037  -1.648  -1.648
   60   1HN   CGU  10           HN       GLA  10  -6.326   0.744   0.744
   61    HA   CGU  10           HA       GLA  10  -6.658  -1.893  -1.893
   62   1HB   CGU  10          1HB       GLA  10  -8.886  -1.808  -1.808
   63   2HB   CGU  10          2HB       GLA  10  -8.403  -0.380  -0.380
   64    HG   CGU  10           HG       GLA  10  -7.767  -0.044  -0.044
   65    H    LEU  11           H        LEU  11  -6.233  -0.738  -0.738
   66    HA   LEU  11           HA       LEU  11  -6.600  -3.285  -3.285
   67   1HB   LEU  11          2HB       LEU  11  -6.231  -2.098  -2.098
   68   2HB   LEU  11          1HB       LEU  11  -6.458  -0.745  -0.745
   69    HG   LEU  11           HG       LEU  11  -3.787  -0.907  -0.907
   70   1HD1  LEU  11          1HD1      LEU  11  -4.355  -2.295  -2.295
   71   2HD1  LEU  11          3HD1      LEU  11  -2.828  -1.507  -1.507
   72   3HD1  LEU  11          2HD1      LEU  11  -3.334  -2.881  -2.881
   73   1HD2  LEU  11          3HD2      LEU  11  -5.256   0.947   0.947
   74   2HD2  LEU  11          2HD2      LEU  11  -3.595   0.845   0.845
   75   3HD2  LEU  11          1HD2      LEU  11  -4.902   0.211   0.211
   76    H    ILE  12           H        ILE  12  -3.910  -1.833  -1.833
   77    HA   ILE  12           HA       ILE  12  -1.871  -3.610  -3.610
   78    HB   ILE  12           HB       ILE  12  -1.771  -2.026  -2.026
   79   1HG1  ILE  12          2HG1      ILE  12  -2.370  -0.414  -0.414
   80   2HG1  ILE  12          1HG1      ILE  12  -0.686  -0.188  -0.188
   81   1HG2  ILE  12          1HG2      ILE  12   0.351  -3.246  -3.246
   82   2HG2  ILE  12          3HG2      ILE  12   0.735  -1.963  -1.963
   83   3HG2  ILE  12          2HG2      ILE  12   0.098  -3.489  -3.489
   84   1HD1  ILE  12          1HD1      ILE  12  -0.044  -1.545  -1.545
   85   2HD1  ILE  12          3HD1      ILE  12  -1.744  -1.660  -1.660
   86   3HD1  ILE  12          2HD1      ILE  12  -0.951  -0.097  -0.097
   87    H    ARG  13           H        ARG  13  -3.652  -3.440  -3.440
   88    HA   ARG  13           HA       ARG  13  -2.537  -5.917  -5.917
   89   1HB   ARG  13          2HB       ARG  13  -4.287  -5.662  -5.662
   90   2HB   ARG  13          1HB       ARG  13  -3.354  -4.195  -4.195
   91   1HG   ARG  13          2HG       ARG  13  -5.085  -3.139  -3.139
   92   2HG   ARG  13          1HG       ARG  13  -5.995  -4.622  -4.622
   93   1HD   ARG  13          2HD       ARG  13  -5.651  -4.137  -4.137
   94   2HD   ARG  13          1HD       ARG  13  -6.290  -2.693  -2.693
   95    HE   ARG  13           HE       ARG  13  -7.691  -4.998  -4.998
   96   1HH1  ARG  13          1HH2      ARG  13  -7.319  -2.922  -2.922
   97   2HH1  ARG  13          2HH2      ARG  13  -8.931  -3.196  -3.196
   98   1HH2  ARG  13          2HH1      ARG  13  -9.734  -5.361  -5.361
   99   2HH2  ARG  13          1HH1      ARG  13 -10.324  -4.601  -4.601
  100   1HN   CGU  14           HN       GLA  14  -5.086  -5.151  -5.151
  101    HA   CGU  14           HA       GLA  14  -6.811  -7.390  -7.390
  102   1HB   CGU  14          1HB       GLA  14  -7.068  -6.774  -6.774
  103   2HB   CGU  14          2HB       GLA  14  -6.360  -5.309  -5.309
  104    HG   CGU  14           HG       GLA  14  -8.174  -5.428  -5.428
  105    H    LYS  15           H        LYS  15  -3.812  -7.002  -7.002
  106    HA   LYS  15           HA       LYS  15  -3.958  -9.465  -9.465
  107   1HB   LYS  15          2HB       LYS  15  -1.884  -7.360  -7.360
  108   2HB   LYS  15          1HB       LYS  15  -1.288  -8.916  -8.916
  109   1HG   LYS  15          2HG       LYS  15  -3.517  -7.540  -7.540
  110   2HG   LYS  15          1HG       LYS  15  -1.857  -7.060  -7.060
  111   1HD   LYS  15          2HD       LYS  15  -2.476 -10.022 -10.022
  112   2HD   LYS  15          1HD       LYS  15  -3.009  -9.036  -9.036
  113   1HE   LYS  15          2HE       LYS  15  -0.805  -9.846  -9.846
  114   2HE   LYS  15          1HE       LYS  15  -0.616  -8.142  -8.142
  115   1HZ   LYS  15          1HZ       LYS  15  -0.240 -10.249 -10.249
  116   2HZ   LYS  15          3HZ       LYS  15   1.020  -9.739  -9.739
  117   3HZ   LYS  15          2HZ       LYS  15   0.283  -8.634  -8.634
  118    H    SER  16           H        SER  16  -1.436  -8.735  -8.735
  119    HA   SER  16           HA       SER  16  -0.344 -10.043 -10.043
  120   1HB   SER  16          2HB       SER  16  -2.673  -9.504  -9.504
  121   2HB   SER  16          1HB       SER  16  -3.088 -11.190 -11.190
  122    HG   SER  16           HG       SER  16  -1.348 -11.853 -11.853
  123    H    ASN  17           H        ASN  17  -0.977 -11.269 -11.269
  124    HA   ASN  17           HA       ASN  17  -0.646 -13.243 -13.243
  125   1HB   ASN  17          2HB       ASN  17   0.886 -14.027 -14.027
  126   2HB   ASN  17          1HB       ASN  17   1.050 -14.789 -14.789
  127   1HD2  ASN  17          2HD2      ASN  17   3.238 -12.337 -12.337
  128   2HD2  ASN  17          1HD2      ASN  17   2.459 -13.822 -13.822
  129   1HN   NH2  18          1HT       ASN  17  -0.646 -15.132 -15.132
  130   2HN   NH2  18          2HT       ASN  17  -2.140 -15.883 -15.883

  Start of MODEL    4
    1   1H    GLY   1          2H        GLY   1  -1.049  10.334  10.334
    2   2H    GLY   1          1H        GLY   1  -0.159  11.425  11.425
    3   3H    GLY   1          3H        GLY   1   0.645  10.386  10.386
    4   1HA   GLY   1          1HA       GLY   1   0.582  12.555  12.555
    5   2HA   GLY   1          2HA       GLY   1  -1.217  12.541  12.541
    6    H    GLU   2           H        GLU   2  -0.662  13.092  13.092
    7    HA   GLU   2           HA       GLU   2  -0.373  10.597  10.597
    8   1HB   GLU   2          2HB       GLU   2  -0.361  12.274  12.274
    9   2HB   GLU   2          1HB       GLU   2   0.972  12.399  12.399
   10   1HG   GLU   2          2HG       GLU   2   0.137  14.642  14.642
   11   2HG   GLU   2          1HG       GLU   2  -0.105  14.343  14.343
   12   1HN   CGU   3           HN       GLA   3  -2.755  12.478  12.478
   13    HA   CGU   3           HA       GLA   3  -4.807  12.272  12.272
   14   1HB   CGU   3          1HB       GLA   3  -5.019  14.060  14.060
   15   2HB   CGU   3          2HB       GLA   3  -6.262  12.955  12.955
   16    HG   CGU   3           HG       GLA   3  -3.799  12.227  12.227
   17   1HN   CGU   4           HN       GLA   4  -4.391  10.564  10.564
   18    HA   CGU   4           HA       GLA   4  -6.479   8.644   8.644
   19   1HB   CGU   4          1HB       GLA   4  -6.131   9.650   9.650
   20   2HB   CGU   4          2HB       GLA   4  -6.533   7.978   7.978
   21    HG   CGU   4           HG       GLA   4  -4.723   8.777   8.777
   22    H    LEU   5           H        LEU   5  -3.429   8.896   8.896
   23    HA   LEU   5           HA       LEU   5  -2.179   6.425   6.425
   24   1HB   LEU   5          2HB       LEU   5  -0.601   7.097   7.097
   25   2HB   LEU   5          1HB       LEU   5  -1.387   8.611   8.611
   26    HG   LEU   5           HG       LEU   5  -2.902   8.135   8.135
   27   1HD1  LEU   5          1HD1      LEU   5  -1.186   5.717   5.717
   28   2HD1  LEU   5          3HD1      LEU   5  -1.140   6.589   6.589
   29   3HD1  LEU   5          2HD1      LEU   5  -2.672   6.047   6.047
   30   1HD2  LEU   5          2HD2      LEU   5  -0.691   9.624   9.624
   31   2HD2  LEU   5          1HD2      LEU   5  -1.404   9.289   9.289
   32   3HD2  LEU   5          3HD2      LEU   5  -0.010   8.383   8.383
   33    H    GLN   6           H        GLN   6  -4.691   7.236   7.236
   34    HA   GLN   6           HA       GLN   6  -4.615   4.736   4.736
   35   1HB   GLN   6          2HB       GLN   6  -6.154   7.224   7.224
   36   2HB   GLN   6          1HB       GLN   6  -7.267   5.871   5.871
   37   1HG   GLN   6          2HG       GLN   6  -5.958   4.870   4.870
   38   2HG   GLN   6          1HG       GLN   6  -4.940   6.305   6.305
   39   1HE2  GLN   6          2HE2      GLN   6  -8.570   6.391   6.391
   40   2HE2  GLN   6          1HE2      GLN   6  -7.937   4.976   4.976
   41   1HN   CGU   7           HN       GLA   7  -6.582   6.010   6.010
   42    HA   CGU   7           HA       GLA   7  -8.266   3.740   3.740
   43   1HB   CGU   7          1HB       GLA   7  -8.913   4.755   4.755
   44   2HB   CGU   7          2HB       GLA   7  -7.378   5.573   5.573
   45    HG   CGU   7           HG       GLA   7  -7.864   7.099   7.099
   46    H    ASN   8           H        ASN   8  -5.088   4.520   4.520
   47    HA   ASN   8           HA       ASN   8  -4.925   2.285   2.285
   48   1HB   ASN   8          2HB       ASN   8  -3.455   4.672   4.672
   49   2HB   ASN   8          1HB       ASN   8  -2.327   3.411   3.411
   50   1HD2  ASN   8          2HD2      ASN   8  -1.860   2.275   2.275
   51   2HD2  ASN   8          1HD2      ASN   8  -1.426   2.146   2.146
   52    H    GLN   9           H        GLN   9  -3.943   2.935   2.935
   53    HA   GLN   9           HA       GLN   9  -2.221   0.693   0.693
   54   1HB   GLN   9          2HB       GLN   9  -2.239   2.524   2.524
   55   2HB   GLN   9          1HB       GLN   9  -3.943   2.286   2.286
   56   1HG   GLN   9          2HG       GLN   9  -3.374  -0.032  -0.032
   57   2HG   GLN   9          1HG       GLN   9  -1.674   0.348   0.348
   58   1HE2  GLN   9          2HE2      GLN   9  -1.463   2.231   2.231
   59   2HE2  GLN   9          1HE2      GLN   9  -0.659   1.559   1.559
   60   1HN   CGU  10           HN       GLA  10  -5.628   1.114   1.114
   61    HA   CGU  10           HA       GLA  10  -6.117  -1.558  -1.558
   62   1HB   CGU  10          1HB       GLA  10  -8.573  -0.741  -0.741
   63   2HB   CGU  10          2HB       GLA  10  -7.749   0.800   0.800
   64    HG   CGU  10           HG       GLA  10  -8.096  -1.110  -1.110
   65    H    LEU  11           H        LEU  11  -5.943  -0.191  -0.191
   66    HA   LEU  11           HA       LEU  11  -7.273  -2.450  -2.450
   67   1HB   LEU  11          2HB       LEU  11  -7.395  -0.821  -0.821
   68   2HB   LEU  11          1HB       LEU  11  -6.301   0.198   0.198
   69    HG   LEU  11           HG       LEU  11  -4.382  -1.141  -1.141
   70   1HD1  LEU  11          2HD1      LEU  11  -6.141  -2.962  -2.962
   71   2HD1  LEU  11          1HD1      LEU  11  -6.356  -1.837  -1.837
   72   3HD1  LEU  11          3HD1      LEU  11  -4.772  -2.527  -2.527
   73   1HD2  LEU  11          3HD2      LEU  11  -6.185   0.613   0.613
   74   2HD2  LEU  11          2HD2      LEU  11  -4.801   1.120   1.120
   75   3HD2  LEU  11          1HD2      LEU  11  -4.558   0.145   0.145
   76    H    ILE  12           H        ILE  12  -3.985  -1.376  -1.376
   77    HA   ILE  12           HA       ILE  12  -2.662  -3.575  -3.575
   78    HB   ILE  12           HB       ILE  12  -1.930  -1.159  -1.159
   79   1HG1  ILE  12          2HG1      ILE  12   0.248  -1.571  -1.571
   80   2HG1  ILE  12          1HG1      ILE  12  -0.713  -2.801  -2.801
   81   1HG2  ILE  12          2HG2      ILE  12  -0.139  -3.574  -3.574
   82   2HG2  ILE  12          1HG2      ILE  12   0.255  -1.916  -1.916
   83   3HG2  ILE  12          3HG2      ILE  12  -1.049  -2.736  -2.736
   84   1HD1  ILE  12          3HD1      ILE  12  -2.467  -0.660  -0.660
   85   2HD1  ILE  12          2HD1      ILE  12  -0.924   0.157   0.157
   86   3HD1  ILE  12          1HD1      ILE  12  -1.375  -1.030  -1.030
   87    H    ARG  13           H        ARG  13  -4.073  -3.081  -3.081
   88    HA   ARG  13           HA       ARG  13  -2.815  -5.196  -5.196
   89   1HB   ARG  13          2HB       ARG  13  -4.076  -3.299  -3.299
   90   2HB   ARG  13          1HB       ARG  13  -5.563  -3.924  -3.924
   91   1HG   ARG  13          2HG       ARG  13  -5.402  -5.965  -5.965
   92   2HG   ARG  13          1HG       ARG  13  -3.830  -5.484  -5.484
   93   1HD   ARG  13          2HD       ARG  13  -4.761  -3.701  -3.701
   94   2HD   ARG  13          1HD       ARG  13  -6.260  -3.688  -3.688
   95    HE   ARG  13           HE       ARG  13  -5.900  -6.230  -6.230
   96   1HH1  ARG  13          2HH1      ARG  13  -6.747  -2.915  -2.915
   97   2HH1  ARG  13          1HH1      ARG  13  -7.749  -3.271  -3.271
   98   1HH2  ARG  13          1HH2      ARG  13  -7.160  -6.713  -6.713
   99   2HH2  ARG  13          2HH2      ARG  13  -7.980  -5.453  -5.453
  100   1HN   CGU  14           HN       GLA  14  -5.689  -5.042  -5.042
  101    HA   CGU  14           HA       GLA  14  -6.508  -7.786  -7.786
  102   1HB   CGU  14          1HB       GLA  14  -8.233  -7.348  -7.348
  103   2HB   CGU  14          2HB       GLA  14  -7.416  -5.869  -5.869
  104    HG   CGU  14           HG       GLA  14  -7.707  -5.027  -5.027
  105    H    LYS  15           H        LYS  15  -5.452  -6.207  -6.207
  106    HA   LYS  15           HA       LYS  15  -4.956  -8.738  -8.738
  107   1HB   LYS  15          2HB       LYS  15  -4.137  -7.377  -7.377
  108   2HB   LYS  15          1HB       LYS  15  -5.624  -6.708  -6.708
  109   1HG   LYS  15          2HG       LYS  15  -4.539  -4.723  -4.723
  110   2HG   LYS  15          1HG       LYS  15  -3.726  -5.361  -5.361
  111   1HD   LYS  15          2HD       LYS  15  -1.773  -5.895  -5.895
  112   2HD   LYS  15          1HD       LYS  15  -2.570  -5.972  -5.972
  113   1HE   LYS  15          2HE       LYS  15  -2.579  -3.662  -3.662
  114   2HE   LYS  15          1HE       LYS  15  -2.569  -3.325  -3.325
  115   1HZ   LYS  15          1HZ       LYS  15  -0.261  -4.395  -4.395
  116   2HZ   LYS  15          3HZ       LYS  15  -0.339  -4.109  -4.109
  117   3HZ   LYS  15          2HZ       LYS  15  -0.450  -2.810  -2.810
  118    H    SER  16           H        SER  16  -3.186  -7.170  -7.170
  119    HA   SER  16           HA       SER  16  -1.007  -7.315  -7.315
  120   1HB   SER  16          2HB       SER  16  -1.580  -9.747  -9.747
  121   2HB   SER  16          1HB       SER  16  -1.011  -9.931  -9.931
  122    HG   SER  16           HG       SER  16   1.015  -9.359  -9.359
  123    H    ASN  17           H        ASN  17   0.085  -9.014  -9.014
  124    HA   ASN  17           HA       ASN  17   1.958  -6.856  -6.856
  125   1HB   ASN  17          2HB       ASN  17   1.533  -9.542  -9.542
  126   2HB   ASN  17          1HB       ASN  17   2.923  -8.478  -8.478
  127   1HD2  ASN  17          2HD2      ASN  17   4.488  -9.581  -9.581
  128   2HD2  ASN  17          1HD2      ASN  17   4.532  -8.504  -8.504
  129   1HN   NH2  18          1HT       ASN  17  -0.773  -8.484  -8.484
  130   2HN   NH2  18          2HT       ASN  17  -0.979  -7.275  -7.275

  Start of MODEL    5
    1   1H    GLY   1          2H        GLY   1   2.587   7.210   7.210
    2   2H    GLY   1          1H        GLY   1   1.371   8.399   8.399
    3   3H    GLY   1          3H        GLY   1   2.872   8.669   8.669
    4   1HA   GLY   1          1HA       GLY   1   3.974   8.638   8.638
    5   2HA   GLY   1          2HA       GLY   1   2.665   9.885   9.885
    6    H    GLU   2           H        GLU   2   3.637   8.987   8.987
    7    HA   GLU   2           HA       GLU   2   1.933   6.841   6.841
    8   1HB   GLU   2          2HB       GLU   2   4.036   8.660   8.660
    9   2HB   GLU   2          1HB       GLU   2   2.973   7.806   7.806
   10   1HG   GLU   2          2HG       GLU   2   3.852   5.869   5.869
   11   2HG   GLU   2          1HG       GLU   2   5.268   6.793   6.793
   12   1HN   CGU   3           HN       GLA   3   1.774  10.265  10.265
   13    HA   CGU   3           HA       GLA   3  -0.047  10.841  10.841
   14   1HB   CGU   3          1HB       GLA   3  -0.174  12.970  12.970
   15   2HB   CGU   3          2HB       GLA   3  -0.205  12.414  12.414
   16    HG   CGU   3           HG       GLA   3   1.840  13.705  13.705
   17   1HN   CGU   4           HN       GLA   4  -0.487   9.674   9.674
   18    HA   CGU   4           HA       GLA   4  -3.456   9.716   9.716
   19   1HB   CGU   4          1HB       GLA   4  -2.493  10.805  10.805
   20   2HB   CGU   4          2HB       GLA   4  -3.448   9.413   9.413
   21    HG   CGU   4           HG       GLA   4  -0.815   8.430   8.430
   22    H    LEU   5           H        LEU   5  -1.119   7.665   7.665
   23    HA   LEU   5           HA       LEU   5  -1.935   5.230   5.230
   24   1HB   LEU   5          2HB       LEU   5  -0.325   4.149   4.149
   25   2HB   LEU   5          1HB       LEU   5   0.273   5.775   5.775
   26    HG   LEU   5           HG       LEU   5  -1.057   6.077   6.077
   27   1HD1  LEU   5          3HD1      LEU   5  -1.290   3.132   3.132
   28   2HD1  LEU   5          2HD1      LEU   5  -0.742   3.568   3.568
   29   3HD1  LEU   5          1HD1      LEU   5  -2.258   4.188   4.188
   30   1HD2  LEU   5          2HD2      LEU   5   1.616   5.000   5.000
   31   2HD2  LEU   5          1HD2      LEU   5   1.159   6.229   6.229
   32   3HD2  LEU   5          3HD2      LEU   5   1.089   4.542   4.542
   33    H    GLN   6           H        GLN   6  -3.185   6.993   6.993
   34    HA   GLN   6           HA       GLN   6  -4.414   5.031   5.031
   35   1HB   GLN   6          2HB       GLN   6  -5.541   7.755   7.755
   36   2HB   GLN   6          1HB       GLN   6  -6.072   6.823   6.823
   37   1HG   GLN   6          2HG       GLN   6  -3.916   7.028   7.028
   38   2HG   GLN   6          1HG       GLN   6  -3.159   7.691   7.691
   39   1HE2  GLN   6          2HE2      GLN   6  -4.289  10.349  10.349
   40   2HE2  GLN   6          1HE2      GLN   6  -3.586   8.829   8.829
   41   1HN   CGU   7           HN       GLA   7  -5.806   6.564   6.564
   42    HA   CGU   7           HA       GLA   7  -8.212   4.945   4.945
   43   1HB   CGU   7          1HB       GLA   7  -8.196   7.149   7.149
   44   2HB   CGU   7          2HB       GLA   7  -8.625   5.945   5.945
   45    HG   CGU   7           HG       GLA   7  -5.734   6.220   6.220
   46    H    ASN   8           H        ASN   8  -5.047   4.634   4.634
   47    HA   ASN   8           HA       ASN   8  -5.762   2.296   2.296
   48   1HB   ASN   8          2HB       ASN   8  -3.043   3.602   3.602
   49   2HB   ASN   8          1HB       ASN   8  -3.393   2.372   2.372
   50   1HD2  ASN   8          2HD2      ASN   8  -4.961   4.639   4.639
   51   2HD2  ASN   8          1HD2      ASN   8  -4.821   3.002   3.002
   52    H    GLN   9           H        GLN   9  -5.144   2.773   2.773
   53    HA   GLN   9           HA       GLN   9  -3.262   0.694   0.694
   54   1HB   GLN   9          2HB       GLN   9  -4.030   2.658   2.658
   55   2HB   GLN   9          1HB       GLN   9  -5.400   1.647   1.647
   56   1HG   GLN   9          2HG       GLN   9  -3.972  -0.058  -0.058
   57   2HG   GLN   9          1HG       GLN   9  -2.527   0.643   0.643
   58   1HE2  GLN   9          2HE2      GLN   9  -4.220   2.711   2.711
   59   2HE2  GLN   9          1HE2      GLN   9  -5.233   1.944   1.944
   60   1HN   CGU  10           HN       GLA  10  -6.781   0.698   0.698
   61    HA   CGU  10           HA       GLA  10  -6.965  -1.996  -1.996
   62   1HB   CGU  10          1HB       GLA  10  -9.149  -1.076  -1.076
   63   2HB   CGU  10          2HB       GLA  10  -8.827   0.025   0.025
   64    HG   CGU  10           HG       GLA  10  -9.146  -2.936  -2.936
   65    H    LEU  11           H        LEU  11  -7.036  -0.705  -0.705
   66    HA   LEU  11           HA       LEU  11  -7.229  -3.307  -3.307
   67   1HB   LEU  11          2HB       LEU  11  -6.754  -2.177  -2.177
   68   2HB   LEU  11          1HB       LEU  11  -7.874  -1.230  -1.230
   69    HG   LEU  11           HG       LEU  11  -5.702   0.036   0.036
   70   1HD1  LEU  11          3HD1      LEU  11  -4.669  -1.623  -1.623
   71   2HD1  LEU  11          2HD1      LEU  11  -4.249   0.074   0.074
   72   3HD1  LEU  11          1HD1      LEU  11  -3.786  -0.857  -0.857
   73   1HD2  LEU  11          3HD2      LEU  11  -6.883   0.401   0.401
   74   2HD2  LEU  11          2HD2      LEU  11  -7.503   1.095   1.095
   75   3HD2  LEU  11          1HD2      LEU  11  -5.955   1.616   1.616
   76    H    ILE  12           H        ILE  12  -4.463  -1.584  -1.584
   77    HA   ILE  12           HA       ILE  12  -2.601  -3.297  -3.297
   78    HB   ILE  12           HB       ILE  12  -2.183  -0.795  -0.795
   79   1HG1  ILE  12          2HG1      ILE  12   0.346  -1.398  -1.398
   80   2HG1  ILE  12          1HG1      ILE  12  -0.180  -3.050  -3.050
   81   1HG2  ILE  12          2HG2      ILE  12  -2.699  -1.169  -1.169
   82   2HG2  ILE  12          1HG2      ILE  12  -1.093  -1.856  -1.856
   83   3HG2  ILE  12          3HG2      ILE  12  -1.300  -0.189  -0.189
   84   1HD1  ILE  12          2HD1      ILE  12  -0.572  -0.842  -0.842
   85   2HD1  ILE  12          1HD1      ILE  12   0.701  -2.049  -2.049
   86   3HD1  ILE  12          3HD1      ILE  12  -0.975  -2.538  -2.538
   87    H    ARG  13           H        ARG  13  -3.920  -3.068  -3.068
   88    HA   ARG  13           HA       ARG  13  -2.011  -5.007  -5.007
   89   1HB   ARG  13          2HB       ARG  13  -4.660  -3.950  -3.950
   90   2HB   ARG  13          1HB       ARG  13  -3.560  -4.984  -4.984
   91   1HG   ARG  13          2HG       ARG  13  -2.726  -2.241  -2.241
   92   2HG   ARG  13          1HG       ARG  13  -3.323  -2.493  -2.493
   93   1HD   ARG  13          2HD       ARG  13  -0.913  -3.975  -3.975
   94   2HD   ARG  13          1HD       ARG  13  -0.757  -2.491  -2.491
   95    HE   ARG  13           HE       ARG  13  -1.889  -5.035  -5.035
   96   1HH1  ARG  13          1HH2      ARG  13  -0.421  -1.882  -1.882
   97   2HH1  ARG  13          2HH2      ARG  13  -0.267  -2.140  -2.140
   98   1HH2  ARG  13          2HH1      ARG  13  -1.626  -5.333  -5.333
   99   2HH2  ARG  13          1HH1      ARG  13  -0.923  -4.114  -4.114
  100   1HN   CGU  14           HN       GLA  14  -5.170  -4.974  -4.974
  101    HA   CGU  14           HA       GLA  14  -5.713  -7.804  -7.804
  102   1HB   CGU  14          1HB       GLA  14  -7.730  -7.389  -7.389
  103   2HB   CGU  14          2HB       GLA  14  -7.170  -5.747  -5.747
  104    HG   CGU  14           HG       GLA  14  -7.312  -5.433  -5.433
  105    H    LYS  15           H        LYS  15  -4.761  -5.909  -5.909
  106    HA   LYS  15           HA       LYS  15  -4.653  -8.347  -8.347
  107   1HB   LYS  15          2HB       LYS  15  -5.446  -5.949  -5.949
  108   2HB   LYS  15          1HB       LYS  15  -3.735  -5.592  -5.592
  109   1HG   LYS  15          2HG       LYS  15  -3.840  -7.983  -7.983
  110   2HG   LYS  15          1HG       LYS  15  -5.472  -7.416  -7.416
  111   1HD   LYS  15          2HD       LYS  15  -4.398  -6.448  -6.448
  112   2HD   LYS  15          1HD       LYS  15  -4.293  -5.131  -5.131
  113   1HE   LYS  15          2HE       LYS  15  -2.041  -7.157  -7.157
  114   2HE   LYS  15          1HE       LYS  15  -2.129  -6.000  -6.000
  115   1HZ   LYS  15          1HZ       LYS  15  -2.414  -4.300  -4.300
  116   2HZ   LYS  15          3HZ       LYS  15  -1.717  -5.514  -5.514
  117   3HZ   LYS  15          2HZ       LYS  15  -0.871  -4.903  -4.903
  118    H    SER  16           H        SER  16  -2.925  -8.400  -8.400
  119    HA   SER  16           HA       SER  16  -0.202  -7.902  -7.902
  120   1HB   SER  16          2HB       SER  16   0.480  -8.459  -8.459
  121   2HB   SER  16          1HB       SER  16  -0.587  -7.055  -7.055
  122    HG   SER  16           HG       SER  16  -1.134  -9.654  -9.654
  123    H    ASN  17           H        ASN  17  -1.122  -9.734  -9.734
  124    HA   ASN  17           HA       ASN  17  -0.990 -11.930 -11.930
  125   1HB   ASN  17          2HB       ASN  17   1.460 -11.594 -11.594
  126   2HB   ASN  17          1HB       ASN  17   1.167 -13.138 -13.138
  127   1HD2  ASN  17          2HD2      ASN  17   1.825  -9.897  -9.897
  128   2HD2  ASN  17          1HD2      ASN  17   0.995  -9.663  -9.663
  129   1HN   NH2  18          1HT       ASN  17  -2.895 -11.624 -11.624
  130   2HN   NH2  18          2HT       ASN  17  -2.961 -13.069 -13.069

  Start of MODEL    6
    1   1H    GLY   1          2H        GLY   1  -1.754   9.237   9.237
    2   2H    GLY   1          1H        GLY   1  -3.174  10.144  10.144
    3   3H    GLY   1          3H        GLY   1  -2.191  10.420  10.420
    4   1HA   GLY   1          1HA       GLY   1  -0.428  11.187  11.187
    5   2HA   GLY   1          2HA       GLY   1  -1.962  12.121  12.121
    6    H    GLU   2           H        GLU   2  -0.904  12.698  12.698
    7    HA   GLU   2           HA       GLU   2  -0.304  10.801  10.801
    8   1HB   GLU   2          2HB       GLU   2  -1.020  13.744  13.744
    9   2HB   GLU   2          1HB       GLU   2  -0.951  12.930  12.930
   10   1HG   GLU   2          2HG       GLU   2   1.311  13.068  13.068
   11   2HG   GLU   2          1HG       GLU   2   1.237  13.964  13.964
   12   1HN   CGU   3           HN       GLA   3  -3.223  12.298  12.298
   13    HA   CGU   3           HA       GLA   3  -4.968  11.570  11.570
   14   1HB   CGU   3          1HB       GLA   3  -5.733  13.242  13.242
   15   2HB   CGU   3          2HB       GLA   3  -6.733  11.875  11.875
   16    HG   CGU   3           HG       GLA   3  -4.275  11.805  11.805
   17   1HN   CGU   4           HN       GLA   4  -4.407  10.140  10.140
   18    HA   CGU   4           HA       GLA   4  -5.948   7.785   7.785
   19   1HB   CGU   4          1HB       GLA   4  -3.994   7.348   7.348
   20   2HB   CGU   4          2HB       GLA   4  -4.458   9.029   9.029
   21    HG   CGU   4           HG       GLA   4  -6.863   8.312   8.312
   22    H    LEU   5           H        LEU   5  -2.821   8.660   8.660
   23    HA   LEU   5           HA       LEU   5  -1.566   6.088   6.088
   24   1HB   LEU   5          2HB       LEU   5  -0.973   8.777   8.777
   25   2HB   LEU   5          1HB       LEU   5  -0.523   7.643   7.643
   26    HG   LEU   5           HG       LEU   5   0.291   7.245   7.245
   27   1HD1  LEU   5          2HD1      LEU   5   1.724   8.800   8.800
   28   2HD1  LEU   5          1HD1      LEU   5   2.528   8.218   8.218
   29   3HD1  LEU   5          3HD1      LEU   5   1.230   9.387   9.387
   30   1HD2  LEU   5          3HD2      LEU   5   0.444   5.277   5.277
   31   2HD2  LEU   5          2HD2      LEU   5   2.015   5.786   5.786
   32   3HD2  LEU   5          1HD2      LEU   5   1.507   6.219   6.219
   33    H    GLN   6           H        GLN   6  -3.878   7.616   7.616
   34    HA   GLN   6           HA       GLN   6  -3.661   5.588   5.588
   35   1HB   GLN   6          2HB       GLN   6  -4.037   8.187   8.187
   36   2HB   GLN   6          1HB       GLN   6  -5.695   7.842   7.842
   37   1HG   GLN   6          2HG       GLN   6  -5.531   7.735   7.735
   38   2HG   GLN   6          1HG       GLN   6  -5.738   6.087   6.087
   39   1HE2  GLN   6          2HE2      GLN   6  -2.023   7.240   7.240
   40   2HE2  GLN   6          1HE2      GLN   6  -3.048   8.397   8.397
   41   1HN   CGU   7           HN       GLA   7  -5.720   6.664   6.664
   42    HA   CGU   7           HA       GLA   7  -7.995   4.996   4.996
   43   1HB   CGU   7          1HB       GLA   7  -8.674   5.550   5.550
   44   2HB   CGU   7          2HB       GLA   7  -7.096   6.259   6.259
   45    HG   CGU   7           HG       GLA   7  -7.692   7.709   7.709
   46    H    ASN   8           H        ASN   8  -5.018   4.449   4.449
   47    HA   ASN   8           HA       ASN   8  -5.973   1.959   1.959
   48   1HB   ASN   8          2HB       ASN   8  -3.957   1.966   1.966
   49   2HB   ASN   8          1HB       ASN   8  -4.177   3.683   3.683
   50   1HD2  ASN   8          2HD2      ASN   8  -1.098   1.705   1.705
   51   2HD2  ASN   8          1HD2      ASN   8  -2.329   0.840   0.840
   52    H    GLN   9           H        GLN   9  -4.809   2.889   2.889
   53    HA   GLN   9           HA       GLN   9  -3.164   0.675   0.675
   54   1HB   GLN   9          2HB       GLN   9  -3.380   2.837   2.837
   55   2HB   GLN   9          1HB       GLN   9  -5.001   2.393   2.393
   56   1HG   GLN   9          2HG       GLN   9  -3.063   0.276   0.276
   57   2HG   GLN   9          1HG       GLN   9  -2.613   1.826   1.826
   58   1HE2  GLN   9          2HE2      GLN   9  -5.822  -0.138  -0.138
   59   2HE2  GLN   9          1HE2      GLN   9  -4.889  -0.792  -0.792
   60   1HN   CGU  10           HN       GLA  10  -6.368   0.746   0.746
   61    HA   CGU  10           HA       GLA  10  -7.129  -1.619  -1.619
   62   1HB   CGU  10          1HB       GLA  10  -9.404  -1.165  -1.165
   63   2HB   CGU  10          2HB       GLA  10  -8.669   0.233   0.233
   64    HG   CGU  10           HG       GLA  10  -9.051  -0.225  -0.225
   65    H    LEU  11           H        LEU  11  -6.898  -0.567  -0.567
   66    HA   LEU  11           HA       LEU  11  -7.400  -3.237  -3.237
   67   1HB   LEU  11          2HB       LEU  11  -7.122  -2.299  -2.299
   68   2HB   LEU  11          1HB       LEU  11  -7.779  -0.997  -0.997
   69    HG   LEU  11           HG       LEU  11  -5.208  -0.328  -0.328
   70   1HD1  LEU  11          3HD1      LEU  11  -5.177  -2.254  -2.254
   71   2HD1  LEU  11          2HD1      LEU  11  -4.159  -0.828  -0.828
   72   3HD1  LEU  11          1HD1      LEU  11  -3.946  -1.972  -1.972
   73   1HD2  LEU  11          1HD2      LEU  11  -6.740   0.132   0.132
   74   2HD2  LEU  11          3HD2      LEU  11  -6.931   1.070   1.070
   75   3HD2  LEU  11          2HD2      LEU  11  -5.418   1.130   1.130
   76    H    ILE  12           H        ILE  12  -4.647  -1.659  -1.659
   77    HA   ILE  12           HA       ILE  12  -2.658  -3.234  -3.234
   78    HB   ILE  12           HB       ILE  12  -2.379  -0.930  -0.930
   79   1HG1  ILE  12          2HG1      ILE  12  -0.236  -3.064  -3.064
   80   2HG1  ILE  12          1HG1      ILE  12  -0.589  -2.314  -2.314
   81   1HG2  ILE  12          2HG2      ILE  12  -3.190  -2.075  -2.075
   82   2HG2  ILE  12          1HG2      ILE  12  -1.580  -2.764  -2.764
   83   3HG2  ILE  12          3HG2      ILE  12  -1.789  -1.024  -1.024
   84   1HD1  ILE  12          2HD1      ILE  12  -0.166  -0.050  -0.050
   85   2HD1  ILE  12          1HD1      ILE  12   0.423  -0.921  -0.921
   86   3HD1  ILE  12          3HD1      ILE  12   1.245  -1.087  -1.087
   87    H    ARG  13           H        ARG  13  -4.754  -3.679  -3.679
   88    HA   ARG  13           HA       ARG  13  -3.348  -5.680  -5.680
   89   1HB   ARG  13          2HB       ARG  13  -5.527  -4.563  -4.563
   90   2HB   ARG  13          1HB       ARG  13  -6.369  -5.532  -5.532
   91   1HG   ARG  13          2HG       ARG  13  -4.640  -6.866  -6.866
   92   2HG   ARG  13          1HG       ARG  13  -6.261  -6.346  -6.346
   93   1HD   ARG  13          2HD       ARG  13  -6.995  -8.350  -8.350
   94   2HD   ARG  13          1HD       ARG  13  -6.615  -7.738  -7.738
   95    HE   ARG  13           HE       ARG  13  -4.292  -8.846  -8.846
   96   1HH1  ARG  13          1HH2      ARG  13  -7.074  -9.552  -9.552
   97   2HH1  ARG  13          2HH2      ARG  13  -6.398 -11.008 -11.008
   98   1HH2  ARG  13          2HH1      ARG  13  -3.414 -10.678 -10.678
   99   2HH2  ARG  13          1HH1      ARG  13  -4.288 -11.658 -11.658
  100   1HN   CGU  14           HN       GLA  14  -5.675  -5.924  -5.924
  101    HA   CGU  14           HA       GLA  14  -5.618  -8.723  -8.723
  102   1HB   CGU  14          1HB       GLA  14  -6.510  -8.090  -8.090
  103   2HB   CGU  14          2HB       GLA  14  -6.110  -6.425  -6.425
  104    HG   CGU  14           HG       GLA  14  -7.549  -6.817  -6.817
  105    H    LYS  15           H        LYS  15  -3.776  -6.097  -6.097
  106    HA   LYS  15           HA       LYS  15  -2.159  -7.732  -7.732
  107   1HB   LYS  15          2HB       LYS  15  -2.698  -5.055  -5.055
  108   2HB   LYS  15          1HB       LYS  15  -1.146  -5.063  -5.063
  109   1HG   LYS  15          2HG       LYS  15  -0.349  -6.509  -6.509
  110   2HG   LYS  15          1HG       LYS  15  -1.824  -5.945  -5.945
  111   1HD   LYS  15          2HD       LYS  15  -0.369  -4.259  -4.259
  112   2HD   LYS  15          1HD       LYS  15  -0.969  -3.545  -3.545
  113   1HE   LYS  15          2HE       LYS  15   1.037  -4.679  -4.679
  114   2HE   LYS  15          1HE       LYS  15   1.666  -5.000  -5.000
  115   1HZ   LYS  15          3HZ       LYS  15   0.984  -2.386  -2.386
  116   2HZ   LYS  15          2HZ       LYS  15   1.575  -2.555  -2.555
  117   3HZ   LYS  15          1HZ       LYS  15   2.547  -2.996  -2.996
  118    H    SER  16           H        SER  16  -2.148  -7.167  -7.167
  119    HA   SER  16           HA       SER  16  -0.757  -7.602  -7.602
  120   1HB   SER  16          2HB       SER  16   0.308  -9.726  -9.726
  121   2HB   SER  16          1HB       SER  16   0.458  -9.773  -9.773
  122    HG   SER  16           HG       SER  16  -1.895  -9.463  -9.463
  123    H    ASN  17           H        ASN  17   1.866  -8.660  -8.660
  124    HA   ASN  17           HA       ASN  17   3.636  -6.640  -6.640
  125   1HB   ASN  17          2HB       ASN  17   4.191  -8.802  -8.802
  126   2HB   ASN  17          1HB       ASN  17   5.407  -7.887  -7.887
  127   1HD2  ASN  17          2HD2      ASN  17   3.257 -10.787 -10.787
  128   2HD2  ASN  17          1HD2      ASN  17   2.635 -10.103 -10.103
  129   1HN   NH2  18          1HT       ASN  17   2.340  -7.324  -7.324
  130   2HN   NH2  18          2HT       ASN  17   2.823  -5.841  -5.841

  Start of MODEL    7
    1   1H    GLY   1          2H        GLY   1   0.499  11.029  11.029
    2   2H    GLY   1          1H        GLY   1   0.265   9.436   9.436
    3   3H    GLY   1          3H        GLY   1  -0.349  10.743  10.743
    4   1HA   GLY   1          1HA       GLY   1  -1.806  11.328  11.328
    5   2HA   GLY   1          2HA       GLY   1  -2.068   9.625   9.625
    6    H    GLU   2           H        GLU   2   0.591  10.710  10.710
    7    HA   GLU   2           HA       GLU   2   0.335   8.654   8.654
    8   1HB   GLU   2          2HB       GLU   2   2.110  10.003  10.003
    9   2HB   GLU   2          1HB       GLU   2   2.487   9.638   9.638
   10   1HG   GLU   2          2HG       GLU   2   2.925  11.858  11.858
   11   2HG   GLU   2          1HG       GLU   2   1.192  12.089  12.089
   12   1HN   CGU   3           HN       GLA   3  -1.244  11.653  11.653
   13    HA   CGU   3           HA       GLA   3  -1.837  12.238  12.238
   14   1HB   CGU   3          1HB       GLA   3  -3.843  13.443  13.443
   15   2HB   CGU   3          2HB       GLA   3  -3.157  12.866  12.866
   16    HG   CGU   3           HG       GLA   3  -1.629  14.579  14.579
   17   1HN   CGU   4           HN       GLA   4  -3.260  10.382  10.382
   18    HA   CGU   4           HA       GLA   4  -5.540   9.442   9.442
   19   1HB   CGU   4          1HB       GLA   4  -6.218   8.363   8.363
   20   2HB   CGU   4          2HB       GLA   4  -4.723   8.872   8.872
   21    HG   CGU   4           HG       GLA   4  -6.624  10.876  10.876
   22    H    LEU   5           H        LEU   5  -2.414   8.558   8.558
   23    HA   LEU   5           HA       LEU   5  -2.445   5.748   5.748
   24   1HB   LEU   5          2HB       LEU   5  -0.261   5.753   5.753
   25   2HB   LEU   5          1HB       LEU   5  -0.455   7.418   7.418
   26    HG   LEU   5           HG       LEU   5  -1.138   7.848   7.848
   27   1HD1  LEU   5          2HD1      LEU   5  -0.322   4.936   4.936
   28   2HD1  LEU   5          1HD1      LEU   5   0.200   5.972   5.972
   29   3HD1  LEU   5          3HD1      LEU   5  -1.499   5.796   5.796
   30   1HD2  LEU   5          2HD2      LEU   5   1.131   8.401   8.401
   31   2HD2  LEU   5          1HD2      LEU   5   1.219   8.009   8.009
   32   3HD2  LEU   5          3HD2      LEU   5   1.692   6.823   6.823
   33    H    GLN   6           H        GLN   6  -3.637   7.661   7.661
   34    HA   GLN   6           HA       GLN   6  -3.854   5.642   5.642
   35   1HB   GLN   6          2HB       GLN   6  -4.001   8.207   8.207
   36   2HB   GLN   6          1HB       GLN   6  -5.638   8.091   8.091
   37   1HG   GLN   6          2HG       GLN   6  -6.325   6.686   6.686
   38   2HG   GLN   6          1HG       GLN   6  -4.664   6.554   6.554
   39   1HE2  GLN   6          2HE2      GLN   6  -6.777   9.986   9.986
   40   2HE2  GLN   6          1HE2      GLN   6  -7.362   8.849   8.849
   41   1HN   CGU   7           HN       GLA   7  -5.863   6.779   6.779
   42    HA   CGU   7           HA       GLA   7  -8.201   5.172   5.172
   43   1HB   CGU   7          1HB       GLA   7  -9.080   6.020   6.020
   44   2HB   CGU   7          2HB       GLA   7  -7.473   6.334   6.334
   45    HG   CGU   7           HG       GLA   7  -7.187   8.057   8.057
   46    H    ASN   8           H        ASN   8  -5.260   4.754   4.754
   47    HA   ASN   8           HA       ASN   8  -6.143   2.234   2.234
   48   1HB   ASN   8          2HB       ASN   8  -4.704   4.143   4.143
   49   2HB   ASN   8          1HB       ASN   8  -3.365   3.419   3.419
   50   1HD2  ASN   8          2HD2      ASN   8  -5.037   1.477   1.477
   51   2HD2  ASN   8          1HD2      ASN   8  -5.786   2.847   2.847
   52    H    GLN   9           H        GLN   9  -4.816   3.109   3.109
   53    HA   GLN   9           HA       GLN   9  -2.850   1.025   1.025
   54   1HB   GLN   9          2HB       GLN   9  -4.040   3.165   3.165
   55   2HB   GLN   9          1HB       GLN   9  -3.937   1.702   1.702
   56   1HG   GLN   9          2HG       GLN   9  -1.491   1.509   1.509
   57   2HG   GLN   9          1HG       GLN   9  -1.650   3.091   3.091
   58   1HE2  GLN   9          2HE2      GLN   9  -1.911   4.836   4.836
   59   2HE2  GLN   9          1HE2      GLN   9  -2.401   4.897   4.897
   60   1HN   CGU  10           HN       GLA  10  -6.164   0.826   0.826
   61    HA   CGU  10           HA       GLA  10  -6.394  -1.615  -1.615
   62   1HB   CGU  10          1HB       GLA  10  -8.654  -0.562  -0.562
   63   2HB   CGU  10          2HB       GLA  10  -8.201   0.352   0.352
   64    HG   CGU  10           HG       GLA  10  -8.530  -1.579  -1.579
   65    H    LEU  11           H        LEU  11  -6.260  -0.456  -0.456
   66    HA   LEU  11           HA       LEU  11  -7.008  -2.819  -2.819
   67   1HB   LEU  11          2HB       LEU  11  -5.244  -0.458  -0.458
   68   2HB   LEU  11          1HB       LEU  11  -5.491  -1.762  -1.762
   69    HG   LEU  11           HG       LEU  11  -7.009   0.304   0.304
   70   1HD1  LEU  11          1HD1      LEU  11  -7.364  -2.029  -2.029
   71   2HD1  LEU  11          3HD1      LEU  11  -8.530  -2.322  -2.322
   72   3HD1  LEU  11          2HD1      LEU  11  -8.787  -1.012  -1.012
   73   1HD2  LEU  11          1HD2      LEU  11  -7.629   0.452   0.452
   74   2HD2  LEU  11          3HD2      LEU  11  -8.998   0.452   0.452
   75   3HD2  LEU  11          2HD2      LEU  11  -8.594  -1.004  -1.004
   76    H    ILE  12           H        ILE  12  -3.948  -1.767  -1.767
   77    HA   ILE  12           HA       ILE  12  -2.337  -3.805  -3.805
   78    HB   ILE  12           HB       ILE  12  -1.563  -1.645  -1.645
   79   1HG1  ILE  12          2HG1      ILE  12   0.546  -2.789  -2.789
   80   2HG1  ILE  12          1HG1      ILE  12  -0.206  -4.319  -4.319
   81   1HG2  ILE  12          3HG2      ILE  12  -2.919  -2.465  -2.465
   82   2HG2  ILE  12          2HG2      ILE  12  -1.358  -3.148  -3.148
   83   3HG2  ILE  12          1HG2      ILE  12  -1.514  -1.426  -1.426
   84   1HD1  ILE  12          3HD1      ILE  12   0.198  -2.114  -2.114
   85   2HD1  ILE  12          2HD1      ILE  12   1.364  -3.399  -3.399
   86   3HD1  ILE  12          1HD1      ILE  12  -0.247  -3.783  -3.783
   87    H    ARG  13           H        ARG  13  -4.464  -3.879  -3.879
   88    HA   ARG  13           HA       ARG  13  -3.421  -6.137  -6.137
   89   1HB   ARG  13          2HB       ARG  13  -5.317  -4.627  -4.627
   90   2HB   ARG  13          1HB       ARG  13  -6.353  -5.353  -5.353
   91   1HG   ARG  13          2HG       ARG  13  -6.815  -6.486  -6.486
   92   2HG   ARG  13          1HG       ARG  13  -5.972  -7.626  -7.626
   93   1HD   ARG  13          2HD       ARG  13  -4.035  -6.100  -6.100
   94   2HD   ARG  13          1HD       ARG  13  -5.237  -6.824  -6.824
   95    HE   ARG  13           HE       ARG  13  -3.213  -8.248  -8.248
   96   1HH1  ARG  13          2HH1      ARG  13  -6.475  -8.429  -8.429
   97   2HH1  ARG  13          1HH1      ARG  13  -6.481 -10.156 -10.156
   98   1HH2  ARG  13          1HH2      ARG  13  -3.192 -10.430 -10.430
   99   2HH2  ARG  13          2HH2      ARG  13  -4.585 -11.312 -11.312
  100   1HN   CGU  14           HN       GLA  14  -5.246  -5.724  -5.724
  101    HA   CGU  14           HA       GLA  14  -5.791  -8.587  -8.587
  102   1HB   CGU  14          1HB       GLA  14  -7.357  -7.845  -7.845
  103   2HB   CGU  14          2HB       GLA  14  -6.467  -6.377  -6.377
  104    HG   CGU  14           HG       GLA  14  -7.086  -5.496  -5.496
  105    H    LYS  15           H        LYS  15  -3.845  -5.940  -5.940
  106    HA   LYS  15           HA       LYS  15  -2.504  -7.692  -7.692
  107   1HB   LYS  15          2HB       LYS  15  -2.350  -4.656  -4.656
  108   2HB   LYS  15          1HB       LYS  15  -1.675  -5.583  -5.583
  109   1HG   LYS  15          2HG       LYS  15  -3.960  -6.333  -6.333
  110   2HG   LYS  15          1HG       LYS  15  -4.646  -5.377  -5.377
  111   1HD   LYS  15          2HD       LYS  15  -3.927  -3.300  -3.300
  112   2HD   LYS  15          1HD       LYS  15  -2.904  -4.131  -4.131
  113   1HE   LYS  15          2HE       LYS  15  -4.939  -5.183  -5.183
  114   2HE   LYS  15          1HE       LYS  15  -5.947  -4.279  -4.279
  115   1HZ   LYS  15          1HZ       LYS  15  -4.076  -3.090  -3.090
  116   2HZ   LYS  15          3HZ       LYS  15  -5.761  -3.199  -3.199
  117   3HZ   LYS  15          2HZ       LYS  15  -5.099  -2.236  -2.236
  118    H    SER  16           H        SER  16  -2.064  -8.205  -8.205
  119    HA   SER  16           HA       SER  16   0.442  -6.932  -6.932
  120   1HB   SER  16          2HB       SER  16  -1.516  -7.768  -7.768
  121   2HB   SER  16          1HB       SER  16  -0.790  -9.364  -9.364
  122    HG   SER  16           HG       SER  16   1.058  -8.663  -8.663
  123    H    ASN  17           H        ASN  17   2.143  -7.492  -7.492
  124    HA   ASN  17           HA       ASN  17   2.571 -10.015 -10.015
  125   1HB   ASN  17          2HB       ASN  17   4.929  -9.128  -9.128
  126   2HB   ASN  17          1HB       ASN  17   3.694  -7.991  -7.991
  127   1HD2  ASN  17          2HD2      ASN  17   4.288  -5.740  -5.740
  128   2HD2  ASN  17          1HD2      ASN  17   3.055  -6.313  -6.313
  129   1HN   NH2  18          1HT       ASN  17   4.166 -11.683 -11.683
  130   2HN   NH2  18          2HT       ASN  17   4.599 -11.942 -11.942

  Start of MODEL    8
    1   1H    GLY   1          3H        GLY   1  -2.812  13.085  13.085
    2   2H    GLY   1          2H        GLY   1  -3.731  14.277  14.277
    3   3H    GLY   1          1H        GLY   1  -2.334  14.715  14.715
    4   1HA   GLY   1          1HA       GLY   1  -0.928  13.720  13.720
    5   2HA   GLY   1          2HA       GLY   1  -2.141  14.657  14.657
    6    H    GLU   2           H        GLU   2  -1.512  13.339  13.339
    7    HA   GLU   2           HA       GLU   2  -1.620  10.572  10.572
    8   1HB   GLU   2          2HB       GLU   2  -1.966  10.984  10.984
    9   2HB   GLU   2          1HB       GLU   2  -0.666  11.916  11.916
   10   1HG   GLU   2          2HG       GLU   2  -1.787  13.944  13.944
   11   2HG   GLU   2          1HG       GLU   2  -3.376  13.234  13.234
   12   1HN   CGU   3           HN       GLA   3  -4.391  12.677  12.677
   13    HA   CGU   3           HA       GLA   3  -6.280  11.028  11.028
   14   1HB   CGU   3          1HB       GLA   3  -7.902  12.455  12.455
   15   2HB   CGU   3          2HB       GLA   3  -7.138  12.656  12.656
   16    HG   CGU   3           HG       GLA   3  -5.571  13.704  13.704
   17   1HN   CGU   4           HN       GLA   4  -4.876  10.849  10.849
   18    HA   CGU   4           HA       GLA   4  -6.787   8.809   8.809
   19   1HB   CGU   4          1HB       GLA   4  -5.613   9.049   9.049
   20   2HB   CGU   4          2HB       GLA   4  -4.366  10.023  10.023
   21    HG   CGU   4           HG       GLA   4  -7.027  11.084  11.084
   22    H    LEU   5           H        LEU   5  -3.591   9.116   9.116
   23    HA   LEU   5           HA       LEU   5  -2.503   6.628   6.628
   24   1HB   LEU   5          2HB       LEU   5  -0.669   7.427   7.427
   25   2HB   LEU   5          1HB       LEU   5  -1.629   8.816   8.816
   26    HG   LEU   5           HG       LEU   5  -2.341   7.651   7.651
   27   1HD1  LEU   5          2HD1      LEU   5  -0.706   5.478   5.478
   28   2HD1  LEU   5          1HD1      LEU   5  -0.223   5.856   5.856
   29   3HD1  LEU   5          3HD1      LEU   5  -1.873   5.390   5.390
   30   1HD2  LEU   5          3HD2      LEU   5  -0.368   9.332   9.332
   31   2HD2  LEU   5          2HD2      LEU   5  -0.391   8.332   8.332
   32   3HD2  LEU   5          1HD2      LEU   5   0.671   7.927   7.927
   33    H    GLN   6           H        GLN   6  -4.362   7.509   7.509
   34    HA   GLN   6           HA       GLN   6  -4.299   5.043   5.043
   35   1HB   GLN   6          2HB       GLN   6  -5.246   7.394   7.394
   36   2HB   GLN   6          1HB       GLN   6  -6.739   6.858   6.858
   37   1HG   GLN   6          2HG       GLN   6  -6.983   6.210   6.210
   38   2HG   GLN   6          1HG       GLN   6  -6.477   4.714   4.714
   39   1HE2  GLN   6          2HE2      GLN   6  -3.998   6.619   6.619
   40   2HE2  GLN   6          1HE2      GLN   6  -5.423   7.366   7.366
   41   1HN   CGU   7           HN       GLA   7  -6.609   6.269   6.269
   42    HA   CGU   7           HA       GLA   7  -8.372   4.037   4.037
   43   1HB   CGU   7          1HB       GLA   7  -9.096   5.026   5.026
   44   2HB   CGU   7          2HB       GLA   7  -7.694   6.074   6.074
   45    HG   CGU   7           HG       GLA   7  -8.605   6.804   6.804
   46    H    ASN   8           H        ASN   8  -5.494   4.806   4.806
   47    HA   ASN   8           HA       ASN   8  -5.632   2.443   2.443
   48   1HB   ASN   8          2HB       ASN   8  -4.153   4.908   4.908
   49   2HB   ASN   8          1HB       ASN   8  -2.963   3.624   3.624
   50   1HD2  ASN   8          2HD2      ASN   8  -3.594   2.543   2.543
   51   2HD2  ASN   8          1HD2      ASN   8  -2.778   2.233   2.233
   52    H    GLN   9           H        GLN   9  -4.415   3.104   3.104
   53    HA   GLN   9           HA       GLN   9  -2.330   1.127   1.127
   54   1HB   GLN   9          2HB       GLN   9  -2.890   3.134   3.134
   55   2HB   GLN   9          1HB       GLN   9  -4.035   2.041   2.041
   56   1HG   GLN   9          2HG       GLN   9  -2.282   0.513   0.513
   57   2HG   GLN   9          1HG       GLN   9  -1.097   1.331   1.331
   58   1HE2  GLN   9          2HE2      GLN   9  -2.286   3.123   3.123
   59   2HE2  GLN   9          1HE2      GLN   9  -3.307   1.989   1.989
   60   1HN   CGU  10           HN       GLA  10  -5.744   1.072   1.072
   61    HA   CGU  10           HA       GLA  10  -5.920  -1.523  -1.523
   62   1HB   CGU  10          1HB       GLA  10  -8.390  -1.074  -1.074
   63   2HB   CGU  10          2HB       GLA  10  -7.747   0.537   0.537
   64    HG   CGU  10           HG       GLA  10  -9.104  -0.101  -0.101
   65    H    LEU  11           H        LEU  11  -5.742  -0.428  -0.428
   66    HA   LEU  11           HA       LEU  11  -6.595  -2.816  -2.816
   67   1HB   LEU  11          2HB       LEU  11  -4.737  -0.554  -0.554
   68   2HB   LEU  11          1HB       LEU  11  -5.076  -1.879  -1.879
   69    HG   LEU  11           HG       LEU  11  -6.485   0.285   0.285
   70   1HD1  LEU  11          3HD1      LEU  11  -7.019  -1.852  -1.852
   71   2HD1  LEU  11          2HD1      LEU  11  -7.931  -2.402  -2.402
   72   3HD1  LEU  11          1HD1      LEU  11  -8.485  -1.014  -1.014
   73   1HD2  LEU  11          2HD2      LEU  11  -7.067   0.440   0.440
   74   2HD2  LEU  11          1HD2      LEU  11  -8.441   0.555   0.555
   75   3HD2  LEU  11          3HD2      LEU  11  -8.137  -0.940  -0.940
   76    H    ILE  12           H        ILE  12  -3.552  -1.809  -1.809
   77    HA   ILE  12           HA       ILE  12  -1.922  -3.919  -3.919
   78    HB   ILE  12           HB       ILE  12  -1.533  -2.516  -2.516
   79   1HG1  ILE  12          2HG1      ILE  12  -1.848  -0.725  -0.725
   80   2HG1  ILE  12          1HG1      ILE  12  -0.143  -0.831  -0.831
   81   1HG2  ILE  12          3HG2      ILE  12   0.369  -3.940  -3.940
   82   2HG2  ILE  12          2HG2      ILE  12   0.935  -2.868  -2.868
   83   3HG2  ILE  12          1HG2      ILE  12   0.032  -4.313  -4.313
   84   1HD1  ILE  12          2HD1      ILE  12   0.097  -2.260  -2.260
   85   2HD1  ILE  12          1HD1      ILE  12  -1.553  -1.788  -1.788
   86   3HD1  ILE  12          3HD1      ILE  12  -0.300  -0.569  -0.569
   87    H    ARG  13           H        ARG  13  -3.654  -3.497  -3.497
   88    HA   ARG  13           HA       ARG  13  -3.053  -5.999  -5.999
   89   1HB   ARG  13          2HB       ARG  13  -5.568  -4.297  -4.297
   90   2HB   ARG  13          1HB       ARG  13  -5.017  -5.513  -5.513
   91   1HG   ARG  13          2HG       ARG  13  -3.397  -3.033  -3.033
   92   2HG   ARG  13          1HG       ARG  13  -4.427  -3.124  -3.124
   93   1HD   ARG  13          2HD       ARG  13  -2.664  -5.451  -5.451
   94   2HD   ARG  13          1HD       ARG  13  -1.710  -4.003  -4.003
   95    HE   ARG  13           HE       ARG  13  -2.268  -3.230  -3.230
   96   1HH1  ARG  13          2HH1      ARG  13  -4.241  -5.954  -5.954
   97   2HH1  ARG  13          1HH1      ARG  13  -4.885  -6.128  -6.128
   98   1HH2  ARG  13          1HH2      ARG  13  -3.071  -3.440  -3.440
   99   2HH2  ARG  13          2HH2      ARG  13  -4.213  -4.687  -4.687
  100   1HN   CGU  14           HN       GLA  14  -5.508  -5.010  -5.010
  101    HA   CGU  14           HA       GLA  14  -7.066  -7.445  -7.445
  102   1HB   CGU  14          1HB       GLA  14  -7.916  -6.372  -6.372
  103   2HB   CGU  14          2HB       GLA  14  -6.912  -5.020  -5.020
  104    HG   CGU  14           HG       GLA  14  -8.181  -5.428  -5.428
  105    H    LYS  15           H        LYS  15  -4.402  -6.274  -6.274
  106    HA   LYS  15           HA       LYS  15  -4.492  -8.555  -8.555
  107   1HB   LYS  15          2HB       LYS  15  -3.768  -6.052  -6.052
  108   2HB   LYS  15          1HB       LYS  15  -2.212  -6.564  -6.564
  109   1HG   LYS  15          2HG       LYS  15  -1.753  -7.877  -7.877
  110   2HG   LYS  15          1HG       LYS  15  -3.413  -8.406  -8.406
  111   1HD   LYS  15          2HD       LYS  15  -3.939  -6.023  -6.023
  112   2HD   LYS  15          1HD       LYS  15  -2.206  -5.760  -5.760
  113   1HE   LYS  15          2HE       LYS  15  -3.693  -7.981  -7.981
  114   2HE   LYS  15          1HE       LYS  15  -3.110  -6.493  -6.493
  115   1HZ   LYS  15          2HZ       LYS  15  -1.366  -8.447  -8.447
  116   2HZ   LYS  15          1HZ       LYS  15  -1.627  -8.410  -8.410
  117   3HZ   LYS  15          3HZ       LYS  15  -0.881  -7.093  -7.093
  118    H    SER  16           H        SER  16  -3.691  -8.529  -8.529
  119    HA   SER  16           HA       SER  16  -1.015  -9.689  -9.689
  120   1HB   SER  16          2HB       SER  16  -1.996  -8.400  -8.400
  121   2HB   SER  16          1HB       SER  16  -3.107  -9.749  -9.749
  122    HG   SER  16           HG       SER  16  -1.480 -10.606 -10.606
  123    H    ASN  17           H        ASN  17  -1.399 -11.287 -11.287
  124    HA   ASN  17           HA       ASN  17  -1.790 -13.418 -13.418
  125   1HB   ASN  17          2HB       ASN  17  -1.715 -14.017 -14.017
  126   2HB   ASN  17          1HB       ASN  17  -1.663 -15.252 -15.252
  127   1HD2  ASN  17          2HD2      ASN  17   1.692 -14.592 -14.592
  128   2HD2  ASN  17          1HD2      ASN  17   0.249 -15.371 -15.371
  129   1HN   NH2  18          1HT       ASN  17  -3.895 -13.080 -13.080
  130   2HN   NH2  18          2HT       ASN  17  -5.308 -13.641 -13.641

  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1  -3.328  15.531  15.531
    2   2H    GLY   1          3H        GLY   1  -1.656  15.758  15.758
    3   3H    GLY   1          2H        GLY   1  -2.542  16.644  16.644
    4   1HA   GLY   1          1HA       GLY   1  -2.997  14.773  14.773
    5   2HA   GLY   1          2HA       GLY   1  -1.224  14.761  14.761
    6    H    GLU   2           H        GLU   2  -3.938  14.039  14.039
    7    HA   GLU   2           HA       GLU   2  -2.777  11.384  11.384
    8   1HB   GLU   2          2HB       GLU   2  -4.283  11.447  11.447
    9   2HB   GLU   2          1HB       GLU   2  -3.257  12.860  12.860
   10   1HG   GLU   2          2HG       GLU   2  -5.025  14.311  14.311
   11   2HG   GLU   2          1HG       GLU   2  -5.863  13.221  13.221
   12   1HN   CGU   3           HN       GLA   3  -5.251  12.647  12.647
   13    HA   CGU   3           HA       GLA   3  -7.219  10.575  10.575
   14   1HB   CGU   3          1HB       GLA   3  -7.782  11.660  11.660
   15   2HB   CGU   3          2HB       GLA   3  -6.701  12.885  12.885
   16    HG   CGU   3           HG       GLA   3  -8.436  12.198  12.198
   17   1HN   CGU   4           HN       GLA   4  -4.910  11.168  11.168
   18    HA   CGU   4           HA       GLA   4  -5.523   8.659   8.659
   19   1HB   CGU   4          1HB       GLA   4  -4.554  10.840  10.840
   20   2HB   CGU   4          2HB       GLA   4  -3.966   9.328   9.328
   21    HG   CGU   4           HG       GLA   4  -2.363  11.282  11.282
   22    H    LEU   5           H        LEU   5  -4.152   9.108   9.108
   23    HA   LEU   5           HA       LEU   5  -1.984   7.125   7.125
   24   1HB   LEU   5          2HB       LEU   5  -1.059   8.632   8.632
   25   2HB   LEU   5          1HB       LEU   5  -2.558   9.488   9.488
   26    HG   LEU   5           HG       LEU   5  -3.328   7.933   7.933
   27   1HD1  LEU   5          3HD1      LEU   5  -0.876   6.512   6.512
   28   2HD1  LEU   5          2HD1      LEU   5  -0.778   7.036   7.036
   29   3HD1  LEU   5          1HD1      LEU   5  -2.135   6.073   6.073
   30   1HD2  LEU   5          3HD2      LEU   5  -1.191   9.984   9.984
   31   2HD2  LEU   5          2HD2      LEU   5  -2.695   9.848   9.848
   32   3HD2  LEU   5          1HD2      LEU   5  -1.285   8.964   8.964
   33    H    GLN   6           H        GLN   6  -5.255   7.278   7.278
   34    HA   GLN   6           HA       GLN   6  -4.836   4.872   4.872
   35   1HB   GLN   6          2HB       GLN   6  -7.239   6.639   6.639
   36   2HB   GLN   6          1HB       GLN   6  -7.359   5.192   5.192
   37   1HG   GLN   6          2HG       GLN   6  -5.662   6.079   6.079
   38   2HG   GLN   6          1HG       GLN   6  -5.406   7.480   7.480
   39   1HE2  GLN   6          2HE2      GLN   6  -7.818   9.253   9.253
   40   2HE2  GLN   6          1HE2      GLN   6  -6.273   9.217   9.217
   41   1HN   CGU   7           HN       GLA   7  -7.287   5.550   5.550
   42    HA   CGU   7           HA       GLA   7  -8.262   3.031   3.031
   43   1HB   CGU   7          1HB       GLA   7  -9.090   5.204   5.204
   44   2HB   CGU   7          2HB       GLA   7  -9.132   3.933   3.933
   45    HG   CGU   7           HG       GLA   7  -8.324   6.328   6.328
   46    H    ASN   8           H        ASN   8  -5.180   4.144   4.144
   47    HA   ASN   8           HA       ASN   8  -4.700   2.130   2.130
   48   1HB   ASN   8          2HB       ASN   8  -3.261   4.475   4.475
   49   2HB   ASN   8          1HB       ASN   8  -2.196   3.128   3.128
   50   1HD2  ASN   8          2HD2      ASN   8  -2.918   3.165   3.165
   51   2HD2  ASN   8          1HD2      ASN   8  -2.728   2.061   2.061
   52    H    GLN   9           H        GLN   9  -3.603   2.824   2.824
   53    HA   GLN   9           HA       GLN   9  -2.124   0.413   0.413
   54   1HB   GLN   9          2HB       GLN   9  -3.550   2.303   2.303
   55   2HB   GLN   9          1HB       GLN   9  -2.699   0.892   0.892
   56   1HG   GLN   9          2HG       GLN   9  -0.599   1.692   1.692
   57   2HG   GLN   9          1HG       GLN   9  -1.436   3.122   3.122
   58   1HE2  GLN   9          2HE2      GLN   9  -1.903   4.138   4.138
   59   2HE2  GLN   9          1HE2      GLN   9  -2.998   3.682   3.682
   60   1HN   CGU  10           HN       GLA  10  -5.484   1.016   1.016
   61    HA   CGU  10           HA       GLA  10  -6.200  -1.459  -1.459
   62   1HB   CGU  10          1HB       GLA  10  -8.477  -0.747  -0.747
   63   2HB   CGU  10          2HB       GLA  10  -7.664   0.797   0.797
   64    HG   CGU  10           HG       GLA  10  -7.861  -0.843  -0.843
   65    H    LEU  11           H        LEU  11  -6.629  -0.289  -0.289
   66    HA   LEU  11           HA       LEU  11  -7.314  -2.814  -2.814
   67   1HB   LEU  11          2HB       LEU  11  -7.263  -1.715  -1.715
   68   2HB   LEU  11          1HB       LEU  11  -7.514  -0.405  -0.405
   69    HG   LEU  11           HG       LEU  11  -4.893  -0.117  -0.117
   70   1HD1  LEU  11          1HD1      LEU  11  -5.445  -1.975  -1.975
   71   2HD1  LEU  11          3HD1      LEU  11  -4.216  -0.744  -0.744
   72   3HD1  LEU  11          2HD1      LEU  11  -4.056  -1.945  -1.945
   73   1HD2  LEU  11          1HD2      LEU  11  -6.636   1.447   1.447
   74   2HD2  LEU  11          3HD2      LEU  11  -5.165   1.438   1.438
   75   3HD2  LEU  11          2HD2      LEU  11  -6.581   0.564   0.564
   76    H    ILE  12           H        ILE  12  -4.255  -1.633  -1.633
   77    HA   ILE  12           HA       ILE  12  -2.732  -3.533  -3.533
   78    HB   ILE  12           HB       ILE  12  -2.045  -1.444  -1.444
   79   1HG1  ILE  12          2HG1      ILE  12  -2.506  -0.789  -0.789
   80   2HG1  ILE  12          1HG1      ILE  12  -0.956  -0.279  -0.279
   81   1HG2  ILE  12          2HG2      ILE  12  -0.187  -3.597  -3.597
   82   2HG2  ILE  12          1HG2      ILE  12   0.432  -2.033  -2.033
   83   3HG2  ILE  12          3HG2      ILE  12  -0.424  -3.036  -3.036
   84   1HD1  ILE  12          2HD1      ILE  12  -0.987  -2.935  -2.935
   85   2HD1  ILE  12          1HD1      ILE  12  -1.226  -1.503  -1.503
   86   3HD1  ILE  12          3HD1      ILE  12   0.222  -1.667  -1.667
   87    H    ARG  13           H        ARG  13  -3.535  -3.035  -3.035
   88    HA   ARG  13           HA       ARG  13  -2.231  -5.392  -5.392
   89   1HB   ARG  13          2HB       ARG  13  -3.113  -3.307  -3.307
   90   2HB   ARG  13          1HB       ARG  13  -4.657  -4.112  -4.112
   91   1HG   ARG  13          2HG       ARG  13  -4.007  -5.398  -5.398
   92   2HG   ARG  13          1HG       ARG  13  -2.644  -6.037  -6.037
   93   1HD   ARG  13          2HD       ARG  13  -2.665  -3.484  -3.484
   94   2HD   ARG  13          1HD       ARG  13  -1.761  -4.959  -4.959
   95    HE   ARG  13           HE       ARG  13  -1.281  -3.424  -3.424
   96   1HH1  ARG  13          2HH1      ARG  13  -0.014  -4.756  -4.756
   97   2HH1  ARG  13          1HH1      ARG  13   1.607  -4.405  -4.405
   98   1HH2  ARG  13          1HH2      ARG  13   0.761  -3.001  -3.001
   99   2HH2  ARG  13          2HH2      ARG  13   2.061  -3.404  -3.404
  100   1HN   CGU  14           HN       GLA  14  -5.428  -4.767  -4.767
  101    HA   CGU  14           HA       GLA  14  -6.447  -7.435  -7.435
  102   1HB   CGU  14          1HB       GLA  14  -8.449  -6.485  -6.485
  103   2HB   CGU  14          2HB       GLA  14  -7.582  -4.975  -4.975
  104    HG   CGU  14           HG       GLA  14  -7.664  -6.228  -6.228
  105    H    LYS  15           H        LYS  15  -4.418  -6.399  -6.399
  106    HA   LYS  15           HA       LYS  15  -5.513  -8.048  -8.048
  107   1HB   LYS  15          2HB       LYS  15  -3.840  -5.732  -5.732
  108   2HB   LYS  15          1HB       LYS  15  -2.843  -6.984  -6.984
  109   1HG   LYS  15          2HG       LYS  15  -3.964  -5.844  -5.844
  110   2HG   LYS  15          1HG       LYS  15  -4.584  -7.476  -7.476
  111   1HD   LYS  15          2HD       LYS  15  -6.707  -6.752  -6.752
  112   2HD   LYS  15          1HD       LYS  15  -6.215  -5.731  -5.731
  113   1HE   LYS  15          2HE       LYS  15  -5.348  -4.120  -4.120
  114   2HE   LYS  15          1HE       LYS  15  -6.462  -5.051  -5.051
  115   1HZ   LYS  15          1HZ       LYS  15  -7.257  -3.819  -3.819
  116   2HZ   LYS  15          3HZ       LYS  15  -7.372  -3.008  -3.008
  117   3HZ   LYS  15          2HZ       LYS  15  -8.258  -4.435  -4.435
  118    H    SER  16           H        SER  16  -3.998  -8.941  -8.941
  119    HA   SER  16           HA       SER  16  -1.688 -10.369 -10.369
  120   1HB   SER  16          2HB       SER  16  -2.628 -10.081 -10.081
  121   2HB   SER  16          1HB       SER  16  -3.814 -11.342 -11.342
  122    HG   SER  16           HG       SER  16  -1.471 -11.779 -11.779
  123    H    ASN  17           H        ASN  17  -1.408 -11.765 -11.765
  124    HA   ASN  17           HA       ASN  17  -1.684 -13.477 -13.477
  125   1HB   ASN  17          2HB       ASN  17  -3.643 -14.668 -14.668
  126   2HB   ASN  17          1HB       ASN  17  -2.680 -15.534 -15.534
  127   1HD2  ASN  17          2HD2      ASN  17  -1.102 -14.890 -14.890
  128   2HD2  ASN  17          1HD2      ASN  17  -2.759 -14.763 -14.763
  129   1HN   NH2  18          1HT       ASN  17  -3.190 -11.303 -11.303
  130   2HN   NH2  18          2HT       ASN  17  -4.688 -11.789 -11.789

  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1   3.917   7.570   7.570
    2   2H    GLY   1          3H        GLY   1   3.692   7.372   7.372
    3   3H    GLY   1          2H        GLY   1   3.013   8.712   8.712
    4   1HA   GLY   1          1HA       GLY   1   1.339   7.146   7.146
    5   2HA   GLY   1          2HA       GLY   1   2.307   5.891   5.891
    6    H    GLU   2           H        GLU   2   2.480   8.994   8.994
    7    HA   GLU   2           HA       GLU   2   1.373   8.234   8.234
    8   1HB   GLU   2          2HB       GLU   2   3.083   9.863   9.863
    9   2HB   GLU   2          1HB       GLU   2   2.313  10.826  10.826
   10   1HG   GLU   2          2HG       GLU   2   0.821  10.482  10.482
   11   2HG   GLU   2          1HG       GLU   2   2.254  11.487  11.487
   12   1HN   CGU   3           HN       GLA   3   0.138  10.134  10.134
   13    HA   CGU   3           HA       GLA   3  -2.254  11.100  11.100
   14   1HB   CGU   3          1HB       GLA   3  -2.768  11.843  11.843
   15   2HB   CGU   3          2HB       GLA   3  -2.475  10.304  10.304
   16    HG   CGU   3           HG       GLA   3  -1.025  12.317  12.317
   17   1HN   CGU   4           HN       GLA   4  -1.590   8.060   8.060
   18    HA   CGU   4           HA       GLA   4  -4.379   7.144   7.144
   19   1HB   CGU   4          1HB       GLA   4  -3.459   6.911   6.911
   20   2HB   CGU   4          2HB       GLA   4  -3.950   5.392   5.392
   21    HG   CGU   4           HG       GLA   4  -1.194   5.915   5.915
   22    H    LEU   5           H        LEU   5  -1.382   6.933   6.933
   23    HA   LEU   5           HA       LEU   5  -1.312   4.221   4.221
   24   1HB   LEU   5          2HB       LEU   5   0.016   6.728   6.728
   25   2HB   LEU   5          1HB       LEU   5  -0.242   5.762   5.762
   26    HG   LEU   5           HG       LEU   5   0.912   4.502   4.502
   27   1HD1  LEU   5          3HD1      LEU   5   2.377   6.066   6.066
   28   2HD1  LEU   5          2HD1      LEU   5   3.185   4.886   4.886
   29   3HD1  LEU   5          1HD1      LEU   5   2.455   6.306   6.306
   30   1HD2  LEU   5          2HD2      LEU   5   0.081   3.033   3.033
   31   2HD2  LEU   5          1HD2      LEU   5   1.806   2.868   2.868
   32   3HD2  LEU   5          3HD2      LEU   5   1.216   3.821   3.821
   33    H    GLN   6           H        GLN   6  -3.353   6.762   6.762
   34    HA   GLN   6           HA       GLN   6  -4.161   5.328   5.328
   35   1HB   GLN   6          2HB       GLN   6  -3.775   7.913   7.913
   36   2HB   GLN   6          1HB       GLN   6  -5.348   7.939   7.939
   37   1HG   GLN   6          2HG       GLN   6  -5.762   8.373   8.373
   38   2HG   GLN   6          1HG       GLN   6  -6.227   6.695   6.695
   39   1HE2  GLN   6          2HE2      GLN   6  -4.097   5.784   5.784
   40   2HE2  GLN   6          1HE2      GLN   6  -5.620   5.659   5.659
   41   1HN   CGU   7           HN       GLA   7  -5.872   6.777   6.777
   42    HA   CGU   7           HA       GLA   7  -8.350   5.428   5.428
   43   1HB   CGU   7          1HB       GLA   7  -8.429   7.389   7.389
   44   2HB   CGU   7          2HB       GLA   7  -8.805   6.081   6.081
   45    HG   CGU   7           HG       GLA   7  -5.965   6.275   6.275
   46    H    ASN   8           H        ASN   8  -5.568   4.580   4.580
   47    HA   ASN   8           HA       ASN   8  -6.850   2.089   2.089
   48   1HB   ASN   8          2HB       ASN   8  -5.001   3.855   3.855
   49   2HB   ASN   8          1HB       ASN   8  -4.008   2.484   2.484
   50   1HD2  ASN   8          2HD2      ASN   8  -7.067   1.942   1.942
   51   2HD2  ASN   8          1HD2      ASN   8  -7.191   3.175   3.175
   52    H    GLN   9           H        GLN   9  -5.438   2.952   2.952
   53    HA   GLN   9           HA       GLN   9  -3.371   1.134   1.134
   54   1HB   GLN   9          2HB       GLN   9  -3.846   1.455   1.455
   55   2HB   GLN   9          1HB       GLN   9  -4.311   2.952   2.952
   56   1HG   GLN   9          2HG       GLN   9  -6.732   2.003   2.003
   57   2HG   GLN   9          1HG       GLN   9  -6.150   0.739   0.739
   58   1HE2  GLN   9          2HE2      GLN   9  -7.119   2.882   2.882
   59   2HE2  GLN   9          1HE2      GLN   9  -7.449   1.447   1.447
   60   1HN   CGU  10           HN       GLA  10  -6.802   0.646   0.646
   61    HA   CGU  10           HA       GLA  10  -6.812  -2.001  -2.001
   62   1HB   CGU  10          1HB       GLA  10  -9.040  -1.712  -1.712
   63   2HB   CGU  10          2HB       GLA  10  -8.741  -0.135  -0.135
   64    HG   CGU  10           HG       GLA  10  -8.567  -1.475  -1.475
   65    H    LEU  11           H        LEU  11  -6.803  -0.832  -0.832
   66    HA   LEU  11           HA       LEU  11  -6.790  -3.413  -3.413
   67   1HB   LEU  11          2HB       LEU  11  -5.919  -0.641  -0.641
   68   2HB   LEU  11          1HB       LEU  11  -5.711  -2.023  -2.023
   69    HG   LEU  11           HG       LEU  11  -8.251  -2.511  -2.511
   70   1HD1  LEU  11          1HD1      LEU  11  -8.002   0.364   0.364
   71   2HD1  LEU  11          3HD1      LEU  11  -9.521  -0.313  -0.313
   72   3HD1  LEU  11          2HD1      LEU  11  -8.728  -0.996  -0.996
   73   1HD2  LEU  11          1HD2      LEU  11  -7.266  -1.649  -1.649
   74   2HD2  LEU  11          3HD2      LEU  11  -8.901  -1.093  -1.093
   75   3HD2  LEU  11          2HD2      LEU  11  -7.542  -0.015  -0.015
   76    H    ILE  12           H        ILE  12  -4.278  -1.359  -1.359
   77    HA   ILE  12           HA       ILE  12  -2.026  -2.804  -2.804
   78    HB   ILE  12           HB       ILE  12  -2.324  -0.910  -0.910
   79   1HG1  ILE  12          2HG1      ILE  12  -0.948  -0.319  -0.319
   80   2HG1  ILE  12          1HG1      ILE  12  -2.678  -0.136  -0.136
   81   1HG2  ILE  12          2HG2      ILE  12   0.183  -2.138  -2.138
   82   2HG2  ILE  12          1HG2      ILE  12   0.235  -0.659  -0.659
   83   3HG2  ILE  12          3HG2      ILE  12  -0.307  -2.149  -2.149
   84   1HD1  ILE  12          3HD1      ILE  12  -1.404   1.181   1.181
   85   2HD1  ILE  12          2HD1      ILE  12  -0.694   1.745   1.745
   86   3HD1  ILE  12          1HD1      ILE  12  -2.423   1.878   1.878
   87    H    ARG  13           H        ARG  13  -4.205  -3.340  -3.340
   88    HA   ARG  13           HA       ARG  13  -2.481  -5.315  -5.315
   89   1HB   ARG  13          2HB       ARG  13  -3.798  -3.641  -3.641
   90   2HB   ARG  13          1HB       ARG  13  -5.277  -4.287  -4.287
   91   1HG   ARG  13          2HG       ARG  13  -4.933  -5.196  -5.196
   92   2HG   ARG  13          1HG       ARG  13  -4.812  -6.491  -6.491
   93   1HD   ARG  13          2HD       ARG  13  -2.231  -5.109  -5.109
   94   2HD   ARG  13          1HD       ARG  13  -2.957  -6.083  -6.083
   95    HE   ARG  13           HE       ARG  13  -1.733  -7.077  -7.077
   96   1HH1  ARG  13          2HH1      ARG  13  -4.139  -7.690  -7.690
   97   2HH1  ARG  13          1HH1      ARG  13  -4.106  -9.403  -9.403
   98   1HH2  ARG  13          1HH2      ARG  13  -1.677  -9.239  -9.239
   99   2HH2  ARG  13          2HH2      ARG  13  -2.693 -10.296 -10.296
  100   1HN   CGU  14           HN       GLA  14  -5.348  -5.144  -5.144
  101    HA   CGU  14           HA       GLA  14  -5.817  -8.066  -8.066
  102   1HB   CGU  14          1HB       GLA  14  -7.925  -7.629  -7.629
  103   2HB   CGU  14          2HB       GLA  14  -7.425  -6.008  -6.008
  104    HG   CGU  14           HG       GLA  14  -7.252  -5.499  -5.499
  105    H    LYS  15           H        LYS  15  -5.769  -5.734  -5.734
  106    HA   LYS  15           HA       LYS  15  -5.348  -7.592  -7.592
  107   1HB   LYS  15          2HB       LYS  15  -5.657  -4.800  -4.800
  108   2HB   LYS  15          1HB       LYS  15  -4.054  -4.957  -4.957
  109   1HG   LYS  15          2HG       LYS  15  -5.356  -4.957  -4.957
  110   2HG   LYS  15          1HG       LYS  15  -5.180  -6.674  -6.674
  111   1HD   LYS  15          2HD       LYS  15  -7.505  -6.458  -6.458
  112   2HD   LYS  15          1HD       LYS  15  -7.414  -6.457  -6.457
  113   1HE   LYS  15          2HE       LYS  15  -7.351  -3.898  -3.898
  114   2HE   LYS  15          1HE       LYS  15  -7.694  -4.032  -4.032
  115   1HZ   LYS  15          1HZ       LYS  15  -9.705  -5.252  -5.252
  116   2HZ   LYS  15          3HZ       LYS  15  -9.373  -5.076  -5.076
  117   3HZ   LYS  15          2HZ       LYS  15  -9.697  -3.706  -3.706
  118    H    SER  16           H        SER  16  -2.988  -5.661  -5.661
  119    HA   SER  16           HA       SER  16  -0.746  -7.229  -7.229
  120   1HB   SER  16          2HB       SER  16  -0.779  -4.643  -4.643
  121   2HB   SER  16          1HB       SER  16   0.682  -5.398  -5.398
  122    HG   SER  16           HG       SER  16  -1.620  -4.625  -4.625
  123    H    ASN  17           H        ASN  17  -1.443  -9.078  -9.078
  124    HA   ASN  17           HA       ASN  17  -0.826  -9.077  -9.077
  125   1HB   ASN  17          2HB       ASN  17  -3.030 -10.106 -10.106
  126   2HB   ASN  17          1HB       ASN  17  -2.025 -11.532 -11.532
  127   1HD2  ASN  17          2HD2      ASN  17  -2.079 -11.407 -11.407
  128   2HD2  ASN  17          1HD2      ASN  17  -0.985 -11.684 -11.684
  129   1HN   NH2  18          1HT       ASN  17   0.508 -10.869 -10.869
  130   2HN   NH2  18          2HT       ASN  17   1.670 -11.600 -11.600

  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1  -3.950  12.369  12.369
    2   2H    GLY   1          3H        GLY   1  -3.190  13.548  13.548
    3   3H    GLY   1          2H        GLY   1  -2.281  12.284  12.284
    4   1HA   GLY   1          1HA       GLY   1  -1.903  14.264  14.264
    5   2HA   GLY   1          2HA       GLY   1  -3.686  14.387  14.387
    6    H    GLU   2           H        GLU   2  -2.033  14.433  14.433
    7    HA   GLU   2           HA       GLU   2  -1.536  11.778  11.778
    8   1HB   GLU   2          2HB       GLU   2  -1.297  14.607  14.607
    9   2HB   GLU   2          1HB       GLU   2  -1.315  13.335  13.335
   10   1HG   GLU   2          2HG       GLU   2   0.736  12.501  12.501
   11   2HG   GLU   2          1HG       GLU   2   0.472  12.768  12.768
   12   1HN   CGU   3           HN       GLA   3  -4.278  13.785  13.785
   13    HA   CGU   3           HA       GLA   3  -5.631  12.981  12.981
   14   1HB   CGU   3          1HB       GLA   3  -7.704  13.619  13.619
   15   2HB   CGU   3          2HB       GLA   3  -6.395  14.246  14.246
   16    HG   CGU   3           HG       GLA   3  -5.596  15.485  15.485
   17   1HN   CGU   4           HN       GLA   4  -5.352  11.556  11.556
   18    HA   CGU   4           HA       GLA   4  -7.234   9.366   9.366
   19   1HB   CGU   4          1HB       GLA   4  -6.714   8.920   8.920
   20   2HB   CGU   4          2HB       GLA   4  -6.294  10.605  10.605
   21    HG   CGU   4           HG       GLA   4  -8.665  10.535  10.535
   22    H    LEU   5           H        LEU   5  -4.077   9.915   9.915
   23    HA   LEU   5           HA       LEU   5  -2.879   7.577   7.577
   24   1HB   LEU   5          2HB       LEU   5  -0.911   8.317   8.317
   25   2HB   LEU   5          1HB       LEU   5  -1.843   9.778   9.778
   26    HG   LEU   5           HG       LEU   5  -2.567   9.247   9.247
   27   1HD1  LEU   5          2HD1      LEU   5  -0.550   7.083   7.083
   28   2HD1  LEU   5          1HD1      LEU   5  -0.364   7.924   7.924
   29   3HD1  LEU   5          3HD1      LEU   5  -1.868   7.121   7.121
   30   1HD2  LEU   5          3HD2      LEU   5  -0.138  10.464  10.464
   31   2HD2  LEU   5          2HD2      LEU   5  -1.130  11.013  11.013
   32   3HD2  LEU   5          1HD2      LEU   5   0.167   9.874   9.874
   33    H    GLN   6           H        GLN   6  -4.511   8.187   8.187
   34    HA   GLN   6           HA       GLN   6  -3.815   5.622   5.622
   35   1HB   GLN   6          2HB       GLN   6  -5.367   8.077   8.077
   36   2HB   GLN   6          1HB       GLN   6  -6.004   6.618   6.618
   37   1HG   GLN   6          2HG       GLN   6  -3.027   6.882   6.882
   38   2HG   GLN   6          1HG       GLN   6  -3.918   8.137   8.137
   39   1HE2  GLN   6          2HE2      GLN   6  -3.408   4.962   4.962
   40   2HE2  GLN   6          1HE2      GLN   6  -2.337   5.746   5.746
   41   1HN   CGU   7           HN       GLA   7  -5.959   6.485   6.485
   42    HA   CGU   7           HA       GLA   7  -7.941   4.395   4.395
   43   1HB   CGU   7          1HB       GLA   7  -8.826   5.258   5.258
   44   2HB   CGU   7          2HB       GLA   7  -7.750   6.598   6.598
   45    HG   CGU   7           HG       GLA   7  -8.859   6.923   6.923
   46    H    ASN   8           H        ASN   8  -5.075   4.785   4.785
   47    HA   ASN   8           HA       ASN   8  -5.622   2.441   2.441
   48   1HB   ASN   8          2HB       ASN   8  -3.676   3.104   3.104
   49   2HB   ASN   8          1HB       ASN   8  -4.511   4.589   4.589
   50   1HD2  ASN   8          2HD2      ASN   8  -1.513   5.918   5.918
   51   2HD2  ASN   8          1HD2      ASN   8  -2.892   6.108   6.108
   52    H    GLN   9           H        GLN   9  -4.558   2.875   2.875
   53    HA   GLN   9           HA       GLN   9  -2.398   0.872   0.872
   54   1HB   GLN   9          2HB       GLN   9  -2.247   1.276   1.276
   55   2HB   GLN   9          1HB       GLN   9  -2.442   2.823   2.823
   56   1HG   GLN   9          2HG       GLN   9  -4.074   3.146   3.146
   57   2HG   GLN   9          1HG       GLN   9  -5.081   2.251   2.251
   58   1HE2  GLN   9          2HE2      GLN   9  -3.709   0.355   0.355
   59   2HE2  GLN   9          1HE2      GLN   9  -2.846   1.681   1.681
   60   1HN   CGU  10           HN       GLA  10  -5.776   0.960   0.960
   61    HA   CGU  10           HA       GLA  10  -6.127  -1.532  -1.532
   62   1HB   CGU  10          1HB       GLA  10  -8.317  -0.455  -0.455
   63   2HB   CGU  10          2HB       GLA  10  -7.710   0.613   0.613
   64    HG   CGU  10           HG       GLA  10  -8.030  -1.270  -1.270
   65    H    LEU  11           H        LEU  11  -5.934  -0.614  -0.614
   66    HA   LEU  11           HA       LEU  11  -6.871  -3.107  -3.107
   67   1HB   LEU  11          2HB       LEU  11  -6.180  -2.246  -2.246
   68   2HB   LEU  11          1HB       LEU  11  -6.583  -0.833  -0.833
   69    HG   LEU  11           HG       LEU  11  -3.926  -0.920  -0.920
   70   1HD1  LEU  11          3HD1      LEU  11  -4.183  -2.278  -2.278
   71   2HD1  LEU  11          2HD1      LEU  11  -2.699  -1.564  -1.564
   72   3HD1  LEU  11          1HD1      LEU  11  -3.398  -2.946  -2.946
   73   1HD2  LEU  11          2HD2      LEU  11  -5.362   0.885   0.885
   74   2HD2  LEU  11          1HD2      LEU  11  -3.654   0.829   0.829
   75   3HD2  LEU  11          3HD2      LEU  11  -4.836   0.116   0.116
   76    H    ILE  12           H        ILE  12  -3.825  -2.041  -2.041
   77    HA   ILE  12           HA       ILE  12  -2.125  -4.055  -4.055
   78    HB   ILE  12           HB       ILE  12  -1.913  -2.667  -2.667
   79   1HG1  ILE  12          2HG1      ILE  12  -2.064  -0.979  -0.979
   80   2HG1  ILE  12          1HG1      ILE  12  -0.466  -0.995  -0.995
   81   1HG2  ILE  12          1HG2      ILE  12   0.023  -4.361  -4.361
   82   2HG2  ILE  12          3HG2      ILE  12   0.649  -3.066  -3.066
   83   3HG2  ILE  12          2HG2      ILE  12  -0.313  -4.344  -4.344
   84   1HD1  ILE  12          3HD1      ILE  12   0.354  -2.400  -2.400
   85   2HD1  ILE  12          2HD1      ILE  12  -1.245  -2.305  -2.305
   86   3HD1  ILE  12          1HD1      ILE  12  -0.284  -0.853  -0.853
   87    H    ARG  13           H        ARG  13  -4.252  -4.015  -4.015
   88    HA   ARG  13           HA       ARG  13  -3.392  -6.490  -6.490
   89   1HB   ARG  13          2HB       ARG  13  -4.851  -4.738  -4.738
   90   2HB   ARG  13          1HB       ARG  13  -6.189  -5.282  -5.282
   91   1HG   ARG  13          2HG       ARG  13  -6.569  -7.138  -7.138
   92   2HG   ARG  13          1HG       ARG  13  -4.868  -7.563  -7.563
   93   1HD   ARG  13          2HD       ARG  13  -4.615  -5.756  -5.756
   94   2HD   ARG  13          1HD       ARG  13  -6.376  -5.595  -5.595
   95    HE   ARG  13           HE       ARG  13  -5.134  -8.264  -8.264
   96   1HH1  ARG  13          2HH1      ARG  13  -6.997  -5.564  -5.564
   97   2HH1  ARG  13          1HH1      ARG  13  -7.455  -6.362  -6.362
   98   1HH2  ARG  13          1HH2      ARG  13  -5.774  -9.310  -9.310
   99   2HH2  ARG  13          2HH2      ARG  13  -6.781  -8.515  -8.515
  100   1HN   CGU  14           HN       GLA  14  -5.449  -5.746  -5.746
  101    HA   CGU  14           HA       GLA  14  -6.726  -8.360  -8.360
  102   1HB   CGU  14          1HB       GLA  14  -6.990  -7.142  -7.142
  103   2HB   CGU  14          2HB       GLA  14  -6.804  -5.779  -5.779
  104    HG   CGU  14           HG       GLA  14  -8.537  -7.208  -7.208
  105    H    LYS  15           H        LYS  15  -3.738  -7.060  -7.060
  106    HA   LYS  15           HA       LYS  15  -3.191  -8.823  -8.823
  107   1HB   LYS  15          2HB       LYS  15  -2.045  -6.642  -6.642
  108   2HB   LYS  15          1HB       LYS  15  -1.264  -7.297  -7.297
  109   1HG   LYS  15          2HG       LYS  15  -0.850  -9.035  -9.035
  110   2HG   LYS  15          1HG       LYS  15  -0.319  -7.401  -7.401
  111   1HD   LYS  15          2HD       LYS  15   0.545  -9.016  -9.016
  112   2HD   LYS  15          1HD       LYS  15   1.472  -8.898  -8.898
  113   1HE   LYS  15          2HE       LYS  15   1.243  -6.271  -6.271
  114   2HE   LYS  15          1HE       LYS  15   0.934  -6.751  -6.751
  115   1HZ   LYS  15          2HZ       LYS  15   3.229  -7.910  -7.910
  116   2HZ   LYS  15          1HZ       LYS  15   3.327  -6.312  -6.312
  117   3HZ   LYS  15          3HZ       LYS  15   3.014  -7.579  -7.579
  118    H    SER  16           H        SER  16  -1.567  -8.751  -8.751
  119    HA   SER  16           HA       SER  16  -0.594 -10.381 -10.381
  120   1HB   SER  16          2HB       SER  16  -2.850 -11.146 -11.146
  121   2HB   SER  16          1HB       SER  16  -3.013 -11.946 -11.946
  122    HG   SER  16           HG       SER  16  -0.959 -12.578 -12.578
  123    H    ASN  17           H        ASN  17  -1.664 -12.635 -12.635
  124    HA   ASN  17           HA       ASN  17   0.808 -14.009 -14.009
  125   1HB   ASN  17          2HB       ASN  17  -1.844 -14.092 -14.092
  126   2HB   ASN  17          1HB       ASN  17  -0.622 -14.355 -14.355
  127   1HD2  ASN  17          2HD2      ASN  17  -1.584 -17.631 -17.631
  128   2HD2  ASN  17          1HD2      ASN  17  -2.446 -16.384 -16.384
  129   1HN   NH2  18          1HT       ASN  17  -0.268 -11.094 -11.094
  130   2HN   NH2  18          2HT       ASN  17   1.102 -10.914 -10.914

  Start of MODEL   12
    1   1H    GLY   1          2H        GLY   1  -0.429  10.171  10.171
    2   2H    GLY   1          1H        GLY   1  -2.006  10.644  10.644
    3   3H    GLY   1          3H        GLY   1  -0.687  11.224  11.224
    4   1HA   GLY   1          1HA       GLY   1   0.071  12.535  12.535
    5   2HA   GLY   1          2HA       GLY   1  -1.725  12.770  12.770
    6    H    GLU   2           H        GLU   2  -0.629  13.541  13.541
    7    HA   GLU   2           HA       GLU   2  -0.356  11.420  11.420
    8   1HB   GLU   2          2HB       GLU   2  -0.242  13.280  13.280
    9   2HB   GLU   2          1HB       GLU   2   0.811  13.549  13.549
   10   1HG   GLU   2          2HG       GLU   2  -1.733  14.770  14.770
   11   2HG   GLU   2          1HG       GLU   2  -1.373  15.216  15.216
   12   1HN   CGU   3           HN       GLA   3  -2.923  13.530  13.530
   13    HA   CGU   3           HA       GLA   3  -4.792  13.055  13.055
   14   1HB   CGU   3          1HB       GLA   3  -5.071  14.943  14.943
   15   2HB   CGU   3          2HB       GLA   3  -6.425  13.894  13.894
   16    HG   CGU   3           HG       GLA   3  -4.401  12.983  12.983
   17   1HN   CGU   4           HN       GLA   4  -4.076  11.314  11.314
   18    HA   CGU   4           HA       GLA   4  -6.287   9.372   9.372
   19   1HB   CGU   4          1HB       GLA   4  -6.228  10.220  10.220
   20   2HB   CGU   4          2HB       GLA   4  -5.703   8.568   8.568
   21    HG   CGU   4           HG       GLA   4  -3.500  10.541  10.541
   22    H    LEU   5           H        LEU   5  -3.722   9.596   9.596
   23    HA   LEU   5           HA       LEU   5  -2.393   7.034   7.034
   24   1HB   LEU   5          2HB       LEU   5  -0.502   7.933   7.933
   25   2HB   LEU   5          1HB       LEU   5  -1.343   9.430   9.430
   26    HG   LEU   5           HG       LEU   5  -2.195   9.101   9.101
   27   1HD1  LEU   5          2HD1      LEU   5  -0.317   6.823   6.823
   28   2HD1  LEU   5          1HD1      LEU   5   0.096   7.840   7.840
   29   3HD1  LEU   5          3HD1      LEU   5  -1.499   7.140   7.140
   30   1HD2  LEU   5          1HD2      LEU   5   0.473  10.050  10.050
   31   2HD2  LEU   5          3HD2      LEU   5  -0.785  10.936  10.936
   32   3HD2  LEU   5          2HD2      LEU   5   0.297   9.906   9.906
   33    H    GLN   6           H        GLN   6  -4.682   8.102   8.102
   34    HA   GLN   6           HA       GLN   6  -3.808   5.969   5.969
   35   1HB   GLN   6          2HB       GLN   6  -5.744   6.805   6.805
   36   2HB   GLN   6          1HB       GLN   6  -4.458   7.946   7.946
   37   1HG   GLN   6          2HG       GLN   6  -5.865   8.937   8.937
   38   2HG   GLN   6          1HG       GLN   6  -7.175   7.868   7.868
   39   1HE2  GLN   6          2HE2      GLN   6  -7.625   9.633   9.633
   40   2HE2  GLN   6          1HE2      GLN   6  -7.605   8.048   8.048
   41   1HN   CGU   7           HN       GLA   7  -6.577   6.583   6.583
   42    HA   CGU   7           HA       GLA   7  -8.095   4.266   4.266
   43   1HB   CGU   7          1HB       GLA   7  -9.520   5.786   5.786
   44   2HB   CGU   7          2HB       GLA   7  -9.191   4.774   4.774
   45    HG   CGU   7           HG       GLA   7  -9.026   7.014   7.014
   46    H    ASN   8           H        ASN   8  -5.300   4.581   4.581
   47    HA   ASN   8           HA       ASN   8  -5.523   2.353   2.353
   48   1HB   ASN   8          2HB       ASN   8  -3.552   4.526   4.526
   49   2HB   ASN   8          1HB       ASN   8  -2.862   3.042   3.042
   50   1HD2  ASN   8          2HD2      ASN   8  -3.490   4.333   4.333
   51   2HD2  ASN   8          1HD2      ASN   8  -2.326   3.824   3.824
   52    H    GLN   9           H        GLN   9  -4.416   2.961   2.961
   53    HA   GLN   9           HA       GLN   9  -2.651   0.703   0.703
   54   1HB   GLN   9          2HB       GLN   9  -4.099   2.519   2.519
   55   2HB   GLN   9          1HB       GLN   9  -3.190   1.137   1.137
   56   1HG   GLN   9          2HG       GLN   9  -1.169   1.974   1.974
   57   2HG   GLN   9          1HG       GLN   9  -2.084   3.413   3.413
   58   1HE2  GLN   9          2HE2      GLN   9  -1.736   4.903   4.903
   59   2HE2  GLN   9          1HE2      GLN   9  -2.546   4.959   4.959
   60   1HN   CGU  10           HN       GLA  10  -5.837   0.673   0.673
   61    HA   CGU  10           HA       GLA  10  -6.469  -1.714  -1.714
   62   1HB   CGU  10          1HB       GLA  10  -8.269  -0.342  -0.342
   63   2HB   CGU  10          2HB       GLA  10  -8.199   0.196   0.196
   64    HG   CGU  10           HG       GLA  10  -8.553  -2.739  -2.739
   65    H    LEU  11           H        LEU  11  -6.246  -0.610  -0.610
   66    HA   LEU  11           HA       LEU  11  -6.736  -3.072  -3.072
   67   1HB   LEU  11          2HB       LEU  11  -6.195  -1.951  -1.951
   68   2HB   LEU  11          1HB       LEU  11  -6.380  -0.576  -0.576
   69    HG   LEU  11           HG       LEU  11  -3.702  -0.947  -0.947
   70   1HD1  LEU  11          1HD1      LEU  11  -3.691  -3.008  -3.008
   71   2HD1  LEU  11          3HD1      LEU  11  -4.175  -1.963  -1.963
   72   3HD1  LEU  11          2HD1      LEU  11  -2.625  -1.727  -1.727
   73   1HD2  LEU  11          2HD2      LEU  11  -4.994   1.055   1.055
   74   2HD2  LEU  11          1HD2      LEU  11  -3.346   0.816   0.816
   75   3HD2  LEU  11          3HD2      LEU  11  -4.697   0.318   0.318
   76    H    ILE  12           H        ILE  12  -3.831  -1.843  -1.843
   77    HA   ILE  12           HA       ILE  12  -1.980  -3.699  -3.699
   78    HB   ILE  12           HB       ILE  12  -1.464  -1.582  -1.582
   79   1HG1  ILE  12          2HG1      ILE  12   0.534  -2.608  -2.608
   80   2HG1  ILE  12          1HG1      ILE  12  -0.057  -4.185  -4.185
   81   1HG2  ILE  12          3HG2      ILE  12  -3.064  -2.265  -2.265
   82   2HG2  ILE  12          2HG2      ILE  12  -1.808  -3.325  -3.325
   83   3HG2  ILE  12          1HG2      ILE  12  -1.529  -1.592  -1.592
   84   1HD1  ILE  12          3HD1      ILE  12   0.575  -1.913  -1.913
   85   2HD1  ILE  12          2HD1      ILE  12   1.675  -3.232  -3.232
   86   3HD1  ILE  12          1HD1      ILE  12   0.152  -3.565  -3.565
   87    H    ARG  13           H        ARG  13  -4.239  -3.918  -3.918
   88    HA   ARG  13           HA       ARG  13  -3.305  -6.387  -6.387
   89   1HB   ARG  13          2HB       ARG  13  -4.772  -4.722  -4.722
   90   2HB   ARG  13          1HB       ARG  13  -6.088  -5.120  -5.120
   91   1HG   ARG  13          2HG       ARG  13  -6.171  -7.428  -7.428
   92   2HG   ARG  13          1HG       ARG  13  -4.756  -7.169  -7.169
   93   1HD   ARG  13          2HD       ARG  13  -6.895  -6.987  -6.987
   94   2HD   ARG  13          1HD       ARG  13  -5.994  -5.478  -5.478
   95    HE   ARG  13           HE       ARG  13  -7.701  -4.465  -4.465
   96   1HH1  ARG  13          2HH1      ARG  13  -8.070  -7.938  -7.938
   97   2HH1  ARG  13          1HH1      ARG  13  -9.611  -7.807  -7.807
   98   1HH2  ARG  13          1HH2      ARG  13  -9.693  -4.361  -4.361
   99   2HH2  ARG  13          2HH2      ARG  13 -10.516  -5.832  -5.832
  100   1HN   CGU  14           HN       GLA  14  -5.775  -5.572  -5.572
  101    HA   CGU  14           HA       GLA  14  -6.755  -8.248  -8.248
  102   1HB   CGU  14          1HB       GLA  14  -7.609  -7.193  -7.193
  103   2HB   CGU  14          2HB       GLA  14  -6.931  -5.700  -5.700
  104    HG   CGU  14           HG       GLA  14  -8.529  -7.149  -7.149
  105    H    LYS  15           H        LYS  15  -4.426  -6.339  -6.339
  106    HA   LYS  15           HA       LYS  15  -3.963  -8.496  -8.496
  107   1HB   LYS  15          2HB       LYS  15  -2.102  -7.163  -7.163
  108   2HB   LYS  15          1HB       LYS  15  -3.472  -6.118  -6.118
  109   1HG   LYS  15          2HG       LYS  15  -2.491  -5.352  -5.352
  110   2HG   LYS  15          1HG       LYS  15  -1.142  -6.453  -6.453
  111   1HD   LYS  15          2HD       LYS  15  -1.674  -4.573  -4.573
  112   2HD   LYS  15          1HD       LYS  15  -1.002  -3.885  -3.885
  113   1HE   LYS  15          2HE       LYS  15   1.059  -4.773  -4.773
  114   2HE   LYS  15          1HE       LYS  15   0.410  -6.370  -6.370
  115   1HZ   LYS  15          1HZ       LYS  15  -0.288  -5.425  -5.425
  116   2HZ   LYS  15          3HZ       LYS  15   0.714  -4.100  -4.100
  117   3HZ   LYS  15          2HZ       LYS  15   1.376  -5.659  -5.659
  118    H    SER  16           H        SER  16  -2.674  -7.799  -7.799
  119    HA   SER  16           HA       SER  16  -0.340  -9.561  -9.561
  120   1HB   SER  16          2HB       SER  16   0.061  -9.003  -9.003
  121   2HB   SER  16          1HB       SER  16  -0.270  -7.527  -7.527
  122    HG   SER  16           HG       SER  16  -1.539  -8.036  -8.036
  123    H    ASN  17           H        ASN  17  -3.062 -10.620 -10.620
  124    HA   ASN  17           HA       ASN  17  -4.315 -12.510 -12.510
  125   1HB   ASN  17          2HB       ASN  17  -1.897 -13.443 -13.443
  126   2HB   ASN  17          1HB       ASN  17  -1.853 -13.567 -13.567
  127   1HD2  ASN  17          2HD2      ASN  17  -2.949 -16.855 -16.855
  128   2HD2  ASN  17          1HD2      ASN  17  -1.549 -15.898 -15.898
  129   1HN   NH2  18          1HT       ASN  17  -4.660 -10.375 -10.375
  130   2HN   NH2  18          2HT       ASN  17  -5.073 -11.052 -11.052

  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1   0.565  11.094  11.094
    2   2H    GLY   1          3H        GLY   1   2.189  11.549  11.549
    3   3H    GLY   1          2H        GLY   1   1.792   9.931   9.931
    4   1HA   GLY   1          1HA       GLY   1   2.660  10.945  10.945
    5   2HA   GLY   1          2HA       GLY   1   1.393  12.233  12.233
    6    H    GLU   2           H        GLU   2   1.142  11.281  11.281
    7    HA   GLU   2           HA       GLU   2  -0.239   8.724   8.724
    8   1HB   GLU   2          2HB       GLU   2  -0.119  10.865  10.865
    9   2HB   GLU   2          1HB       GLU   2  -0.336   9.143   9.143
   10   1HG   GLU   2          2HG       GLU   2   2.196  10.592  10.592
   11   2HG   GLU   2          1HG       GLU   2   1.968   9.590   9.590
   12   1HN   CGU   3           HN       GLA   3  -1.271  12.049  12.049
   13    HA   CGU   3           HA       GLA   3  -3.924  11.801  11.801
   14   1HB   CGU   3          1HB       GLA   3  -2.380  13.844  13.844
   15   2HB   CGU   3          2HB       GLA   3  -4.083  13.992  13.992
   16    HG   CGU   3           HG       GLA   3  -3.166  13.099  13.099
   17   1HN   CGU   4           HN       GLA   4  -2.521  10.958  10.958
   18    HA   CGU   4           HA       GLA   4  -5.137  10.126  10.126
   19   1HB   CGU   4          1HB       GLA   4  -3.919  11.632  11.632
   20   2HB   CGU   4          2HB       GLA   4  -3.885  10.050  10.050
   21    HG   CGU   4           HG       GLA   4  -1.656  10.049  10.049
   22    H    LEU   5           H        LEU   5  -2.331   8.801   8.801
   23    HA   LEU   5           HA       LEU   5  -2.575   6.210   6.210
   24   1HB   LEU   5          2HB       LEU   5  -0.629   7.380   7.380
   25   2HB   LEU   5          1HB       LEU   5  -0.689   5.649   5.649
   26    HG   LEU   5           HG       LEU   5  -0.271   7.550   7.550
   27   1HD1  LEU   5          2HD1      LEU   5   1.628   7.530   7.530
   28   2HD1  LEU   5          1HD1      LEU   5   1.787   5.805   5.805
   29   3HD1  LEU   5          3HD1      LEU   5   2.087   6.939   6.939
   30   1HD2  LEU   5          3HD2      LEU   5  -0.399   4.535   4.535
   31   2HD2  LEU   5          2HD2      LEU   5  -1.088   5.563   5.563
   32   3HD2  LEU   5          1HD2      LEU   5   0.633   5.243   5.243
   33    H    GLN   6           H        GLN   6  -3.719   7.660   7.660
   34    HA   GLN   6           HA       GLN   6  -3.976   5.478   5.478
   35   1HB   GLN   6          2HB       GLN   6  -5.978   6.769   6.769
   36   2HB   GLN   6          1HB       GLN   6  -4.515   7.718   7.718
   37   1HG   GLN   6          2HG       GLN   6  -5.431   8.479   8.479
   38   2HG   GLN   6          1HG       GLN   6  -6.960   7.761   7.761
   39   1HE2  GLN   6          2HE2      GLN   6  -7.845  10.579  10.579
   40   2HE2  GLN   6          1HE2      GLN   6  -8.329   9.187   9.187
   41   1HN   CGU   7           HN       GLA   7  -6.017   6.464   6.464
   42    HA   CGU   7           HA       GLA   7  -8.072   4.460   4.460
   43   1HB   CGU   7          1HB       GLA   7  -8.622   6.436   6.436
   44   2HB   CGU   7          2HB       GLA   7  -8.717   5.106   5.106
   45    HG   CGU   7           HG       GLA   7  -5.983   6.209   6.209
   46    H    ASN   8           H        ASN   8  -5.083   4.672   4.672
   47    HA   ASN   8           HA       ASN   8  -5.411   2.217   2.217
   48   1HB   ASN   8          2HB       ASN   8  -2.890   3.811   3.811
   49   2HB   ASN   8          1HB       ASN   8  -2.967   2.510   2.510
   50   1HD2  ASN   8          2HD2      ASN   8  -4.975   4.464   4.464
   51   2HD2  ASN   8          1HD2      ASN   8  -4.852   2.881   2.881
   52    H    GLN   9           H        GLN   9  -4.620   2.957   2.957
   53    HA   GLN   9           HA       GLN   9  -2.921   0.726   0.726
   54   1HB   GLN   9          2HB       GLN   9  -3.499   3.003   3.003
   55   2HB   GLN   9          1HB       GLN   9  -4.702   1.993   1.993
   56   1HG   GLN   9          2HG       GLN   9  -2.825   0.336   0.336
   57   2HG   GLN   9          1HG       GLN   9  -1.688   1.540   1.540
   58   1HE2  GLN   9          2HE2      GLN   9  -2.481   3.847   3.847
   59   2HE2  GLN   9          1HE2      GLN   9  -2.263   3.880   3.880
   60   1HN   CGU  10           HN       GLA  10  -6.221   0.893   0.893
   61    HA   CGU  10           HA       GLA  10  -6.823  -1.553  -1.553
   62   1HB   CGU  10          1HB       GLA  10  -8.955  -0.427  -0.427
   63   2HB   CGU  10          2HB       GLA  10  -8.372   0.722   0.722
   64    HG   CGU  10           HG       GLA  10  -8.840  -0.829  -0.829
   65    H    LEU  11           H        LEU  11  -6.309  -0.526  -0.526
   66    HA   LEU  11           HA       LEU  11  -7.189  -3.191  -3.191
   67   1HB   LEU  11          2HB       LEU  11  -6.591  -2.299  -2.299
   68   2HB   LEU  11          1HB       LEU  11  -7.734  -1.289  -1.289
   69    HG   LEU  11           HG       LEU  11  -5.623   0.093   0.093
   70   1HD1  LEU  11          1HD1      LEU  11  -4.507  -1.697  -1.697
   71   2HD1  LEU  11          3HD1      LEU  11  -3.968  -0.029  -0.029
   72   3HD1  LEU  11          2HD1      LEU  11  -3.711  -1.052  -1.052
   73   1HD2  LEU  11          3HD2      LEU  11  -6.924   0.082   0.082
   74   2HD2  LEU  11          2HD2      LEU  11  -7.210   1.169   1.169
   75   3HD2  LEU  11          1HD2      LEU  11  -5.736   1.300   1.300
   76    H    ILE  12           H        ILE  12  -4.349  -1.665  -1.665
   77    HA   ILE  12           HA       ILE  12  -2.502  -3.355  -3.355
   78    HB   ILE  12           HB       ILE  12  -1.991  -1.029  -1.029
   79   1HG1  ILE  12          2HG1      ILE  12   0.004  -3.200  -3.200
   80   2HG1  ILE  12          1HG1      ILE  12  -0.290  -2.731  -2.731
   81   1HG2  ILE  12          2HG2      ILE  12  -2.919  -1.728  -1.728
   82   2HG2  ILE  12          1HG2      ILE  12  -1.392  -2.556  -2.556
   83   3HG2  ILE  12          3HG2      ILE  12  -1.420  -0.817  -0.817
   84   1HD1  ILE  12          2HD1      ILE  12   0.282  -0.348  -0.348
   85   2HD1  ILE  12          1HD1      ILE  12   0.732  -0.919  -0.919
   86   3HD1  ILE  12          3HD1      ILE  12   1.620  -1.469  -1.469
   87    H    ARG  13           H        ARG  13  -4.205  -3.513  -3.513
   88    HA   ARG  13           HA       ARG  13  -2.630  -5.670  -5.670
   89   1HB   ARG  13          2HB       ARG  13  -4.525  -5.947  -5.947
   90   2HB   ARG  13          1HB       ARG  13  -4.054  -4.270  -4.270
   91   1HG   ARG  13          2HG       ARG  13  -6.241  -3.820  -3.820
   92   2HG   ARG  13          1HG       ARG  13  -5.934  -4.509  -4.509
   93   1HD   ARG  13          2HD       ARG  13  -6.534  -6.807  -6.807
   94   2HD   ARG  13          1HD       ARG  13  -7.164  -5.884  -5.884
   95    HE   ARG  13           HE       ARG  13  -8.201  -4.799  -4.799
   96   1HH1  ARG  13          2HH1      ARG  13  -8.439  -7.572  -7.572
   97   2HH1  ARG  13          1HH1      ARG  13 -10.080  -7.900  -7.900
   98   1HH2  ARG  13          1HH2      ARG  13 -10.280  -5.194  -5.194
   99   2HH2  ARG  13          2HH2      ARG  13 -11.133  -6.542  -6.542
  100   1HN   CGU  14           HN       GLA  14  -5.537  -5.568  -5.568
  101    HA   CGU  14           HA       GLA  14  -5.865  -8.482  -8.482
  102   1HB   CGU  14          1HB       GLA  14  -7.852  -7.116  -7.116
  103   2HB   CGU  14          2HB       GLA  14  -7.693  -8.087  -8.087
  104    HG   CGU  14           HG       GLA  14  -6.695  -5.248  -5.248
  105    H    LYS  15           H        LYS  15  -4.309  -6.108  -6.108
  106    HA   LYS  15           HA       LYS  15  -3.688  -8.122  -8.122
  107   1HB   LYS  15          2HB       LYS  15  -4.385  -5.534  -5.534
  108   2HB   LYS  15          1HB       LYS  15  -2.671  -5.279  -5.279
  109   1HG   LYS  15          2HG       LYS  15  -2.758  -5.585  -5.585
  110   2HG   LYS  15          1HG       LYS  15  -2.493  -7.244  -7.244
  111   1HD   LYS  15          2HD       LYS  15  -5.378  -6.429  -6.429
  112   2HD   LYS  15          1HD       LYS  15  -4.583  -6.337  -6.337
  113   1HE   LYS  15          2HE       LYS  15  -4.149  -8.642  -8.642
  114   2HE   LYS  15          1HE       LYS  15  -4.243  -8.848  -8.848
  115   1HZ   LYS  15          2HZ       LYS  15  -6.614  -8.378  -8.378
  116   2HZ   LYS  15          1HZ       LYS  15  -6.504  -8.262  -8.262
  117   3HZ   LYS  15          3HZ       LYS  15  -6.178  -9.739  -9.739
  118    H    SER  16           H        SER  16  -2.593  -8.090  -8.090
  119    HA   SER  16           HA       SER  16   0.181  -7.340  -7.340
  120   1HB   SER  16          2HB       SER  16  -1.458  -9.206  -9.206
  121   2HB   SER  16          1HB       SER  16   0.280  -8.970  -8.970
  122    HG   SER  16           HG       SER  16  -1.656  -7.374  -7.374
  123    H    ASN  17           H        ASN  17   1.227  -8.119  -8.119
  124    HA   ASN  17           HA       ASN  17   1.717 -11.053 -11.053
  125   1HB   ASN  17          2HB       ASN  17   1.121  -9.286  -9.286
  126   2HB   ASN  17          1HB       ASN  17   1.492 -11.005 -11.005
  127   1HD2  ASN  17          2HD2      ASN  17  -1.717 -11.939 -11.939
  128   2HD2  ASN  17          1HD2      ASN  17  -0.077 -12.367 -12.367
  129   1HN   NH2  18          1HT       ASN  17   3.846 -11.590 -11.590
  130   2HN   NH2  18          2HT       ASN  17   5.056 -10.414 -10.414

  Start of MODEL   14
    1   1H    GLY   1          3H        GLY   1   2.921  10.179  10.179
    2   2H    GLY   1          2H        GLY   1   1.871   9.249   9.249
    3   3H    GLY   1          1H        GLY   1   2.347  10.795  10.795
    4   1HA   GLY   1          1HA       GLY   1   1.240  11.792  11.792
    5   2HA   GLY   1          2HA       GLY   1   0.116  10.786  10.786
    6    H    GLU   2           H        GLU   2   1.660  11.192  11.192
    7    HA   GLU   2           HA       GLU   2   1.119   8.584   8.584
    8   1HB   GLU   2          2HB       GLU   2   1.809  11.301  11.301
    9   2HB   GLU   2          1HB       GLU   2   1.412   9.967   9.967
   10   1HG   GLU   2          2HG       GLU   2   3.883  10.132  10.132
   11   2HG   GLU   2          1HG       GLU   2   3.231   8.597   8.597
   12   1HN   CGU   3           HN       GLA   3  -0.533  11.671  11.671
   13    HA   CGU   3           HA       GLA   3  -2.739  10.758  10.758
   14   1HB   CGU   3          1HB       GLA   3  -3.011  13.014  13.014
   15   2HB   CGU   3          2HB       GLA   3  -3.802  12.911  12.911
   16    HG   CGU   3           HG       GLA   3  -0.810  13.332  13.332
   17   1HN   CGU   4           HN       GLA   4  -1.868  10.306  10.306
   18    HA   CGU   4           HA       GLA   4  -4.612   9.590   9.590
   19   1HB   CGU   4          1HB       GLA   4  -3.557   9.479   9.479
   20   2HB   CGU   4          2HB       GLA   4  -2.009   9.857   9.857
   21    HG   CGU   4           HG       GLA   4  -3.071  11.923  11.923
   22    H    LEU   5           H        LEU   5  -1.817   8.247   8.247
   23    HA   LEU   5           HA       LEU   5  -1.835   5.673   5.673
   24   1HB   LEU   5          2HB       LEU   5   0.120   5.409   5.409
   25   2HB   LEU   5          1HB       LEU   5  -0.102   7.060   7.060
   26    HG   LEU   5           HG       LEU   5  -1.454   6.169   6.169
   27   1HD1  LEU   5          1HD1      LEU   5  -1.001   3.666   3.666
   28   2HD1  LEU   5          3HD1      LEU   5   0.049   3.656   3.656
   29   3HD1  LEU   5          2HD1      LEU   5  -1.673   3.915   3.915
   30   1HD2  LEU   5          1HD2      LEU   5   1.533   5.709   5.709
   31   2HD2  LEU   5          3HD2      LEU   5   0.733   7.151   7.151
   32   3HD2  LEU   5          2HD2      LEU   5   0.686   5.673   5.673
   33    H    GLN   6           H        GLN   6  -3.286   7.066   7.066
   34    HA   GLN   6           HA       GLN   6  -4.372   4.750   4.750
   35   1HB   GLN   6          2HB       GLN   6  -4.123   7.030   7.030
   36   2HB   GLN   6          1HB       GLN   6  -5.439   7.604   7.604
   37   1HG   GLN   6          2HG       GLN   6  -6.241   5.170   5.170
   38   2HG   GLN   6          1HG       GLN   6  -5.601   6.372   6.372
   39   1HE2  GLN   6          2HE2      GLN   6  -8.982   7.318   7.318
   40   2HE2  GLN   6          1HE2      GLN   6  -7.879   6.211   6.211
   41   1HN   CGU   7           HN       GLA   7  -5.310   6.372   6.372
   42    HA   CGU   7           HA       GLA   7  -8.098   5.416   5.416
   43   1HB   CGU   7          1HB       GLA   7  -8.410   6.695   6.695
   44   2HB   CGU   7          2HB       GLA   7  -6.791   6.403   6.403
   45    HG   CGU   7           HG       GLA   7  -5.904   7.931   7.931
   46    H    ASN   8           H        ASN   8  -5.095   4.799   4.799
   47    HA   ASN   8           HA       ASN   8  -6.174   2.400   2.400
   48   1HB   ASN   8          2HB       ASN   8  -3.439   3.734   3.734
   49   2HB   ASN   8          1HB       ASN   8  -4.003   2.442   2.442
   50   1HD2  ASN   8          2HD2      ASN   8  -6.028   4.570   4.570
   51   2HD2  ASN   8          1HD2      ASN   8  -5.620   2.964   2.964
   52    H    GLN   9           H        GLN   9  -5.119   2.851   2.851
   53    HA   GLN   9           HA       GLN   9  -3.078   0.865   0.865
   54   1HB   GLN   9          2HB       GLN   9  -3.512   1.045   1.045
   55   2HB   GLN   9          1HB       GLN   9  -3.678   2.647   2.647
   56   1HG   GLN   9          2HG       GLN   9  -6.194   2.273   2.273
   57   2HG   GLN   9          1HG       GLN   9  -5.964   0.750   0.750
   58   1HE2  GLN   9          2HE2      GLN   9  -6.815   3.019   3.019
   59   2HE2  GLN   9          1HE2      GLN   9  -7.564   2.207   2.207
   60   1HN   CGU  10           HN       GLA  10  -6.573   0.665   0.665
   61    HA   CGU  10           HA       GLA  10  -6.715  -2.020  -2.020
   62   1HB   CGU  10          1HB       GLA  10  -8.907  -1.046  -1.046
   63   2HB   CGU  10          2HB       GLA  10  -8.528   0.012   0.012
   64    HG   CGU  10           HG       GLA  10 -10.256  -1.398  -1.398
   65    H    LEU  11           H        LEU  11  -6.609  -0.728  -0.728
   66    HA   LEU  11           HA       LEU  11  -7.033  -3.277  -3.277
   67   1HB   LEU  11          2HB       LEU  11  -6.813  -2.092  -2.092
   68   2HB   LEU  11          1HB       LEU  11  -7.058  -0.749  -0.749
   69    HG   LEU  11           HG       LEU  11  -4.441  -0.650  -0.650
   70   1HD1  LEU  11          3HD1      LEU  11  -4.850  -2.732  -2.732
   71   2HD1  LEU  11          2HD1      LEU  11  -3.742  -1.458  -1.458
   72   3HD1  LEU  11          1HD1      LEU  11  -3.432  -2.399  -2.399
   73   1HD2  LEU  11          2HD2      LEU  11  -5.875   1.040   1.040
   74   2HD2  LEU  11          1HD2      LEU  11  -4.372   0.793   0.793
   75   3HD2  LEU  11          3HD2      LEU  11  -5.860   0.069   0.069
   76    H    ILE  12           H        ILE  12  -4.190  -1.672  -1.672
   77    HA   ILE  12           HA       ILE  12  -2.294  -3.559  -3.559
   78    HB   ILE  12           HB       ILE  12  -2.014  -1.456  -1.456
   79   1HG1  ILE  12          2HG1      ILE  12  -0.765  -1.360  -1.360
   80   2HG1  ILE  12          1HG1      ILE  12  -2.423  -0.854  -0.854
   81   1HG2  ILE  12          1HG2      ILE  12   0.083  -3.257  -3.257
   82   2HG2  ILE  12          3HG2      ILE  12   0.507  -1.775  -1.775
   83   3HG2  ILE  12          2HG2      ILE  12  -0.267  -3.082  -3.082
   84   1HD1  ILE  12          1HD1      ILE  12  -1.553   0.682   0.682
   85   2HD1  ILE  12          3HD1      ILE  12   0.047   0.363   0.363
   86   3HD1  ILE  12          2HD1      ILE  12  -1.167   1.145   1.145
   87    H    ARG  13           H        ARG  13  -3.796  -3.067  -3.067
   88    HA   ARG  13           HA       ARG  13  -2.480  -5.041  -5.041
   89   1HB   ARG  13          2HB       ARG  13  -5.188  -3.713  -3.713
   90   2HB   ARG  13          1HB       ARG  13  -4.773  -4.948  -4.948
   91   1HG   ARG  13          2HG       ARG  13  -3.127  -3.658  -3.658
   92   2HG   ARG  13          1HG       ARG  13  -2.769  -2.746  -2.746
   93   1HD   ARG  13          2HD       ARG  13  -4.134  -1.072  -1.072
   94   2HD   ARG  13          1HD       ARG  13  -5.513  -2.161  -2.161
   95    HE   ARG  13           HE       ARG  13  -3.831  -2.448  -2.448
   96   1HH1  ARG  13          2HH1      ARG  13  -6.330  -0.581  -0.581
   97   2HH1  ARG  13          1HH1      ARG  13  -6.962   0.003   0.003
   98   1HH2  ARG  13          1HH2      ARG  13  -4.618  -1.737  -1.737
   99   2HH2  ARG  13          2HH2      ARG  13  -5.981  -0.668  -0.668
  100   1HN   CGU  14           HN       GLA  14  -5.468  -5.207  -5.207
  101    HA   CGU  14           HA       GLA  14  -6.014  -7.979  -7.979
  102   1HB   CGU  14          1HB       GLA  14  -7.524  -7.524  -7.524
  103   2HB   CGU  14          2HB       GLA  14  -7.053  -5.869  -5.869
  104    HG   CGU  14           HG       GLA  14  -8.918  -5.885  -5.885
  105    H    LYS  15           H        LYS  15  -3.836  -6.471  -6.471
  106    HA   LYS  15           HA       LYS  15  -3.556  -8.886  -8.886
  107   1HB   LYS  15          2HB       LYS  15  -2.650  -5.998  -5.998
  108   2HB   LYS  15          1HB       LYS  15  -2.078  -7.275  -7.275
  109   1HG   LYS  15          2HG       LYS  15  -4.391  -7.823  -7.823
  110   2HG   LYS  15          1HG       LYS  15  -5.023  -6.623  -6.623
  111   1HD   LYS  15          2HD       LYS  15  -3.496  -4.936  -4.936
  112   2HD   LYS  15          1HD       LYS  15  -3.471  -6.199  -6.199
  113   1HE   LYS  15          2HE       LYS  15  -5.983  -4.909  -4.909
  114   2HE   LYS  15          1HE       LYS  15  -5.315  -4.605  -4.605
  115   1HZ   LYS  15          2HZ       LYS  15  -5.584  -7.025  -7.025
  116   2HZ   LYS  15          1HZ       LYS  15  -6.454  -7.131  -7.131
  117   3HZ   LYS  15          3HZ       LYS  15  -7.034  -6.160  -6.160
  118    H    SER  16           H        SER  16  -2.206  -7.348  -7.348
  119    HA   SER  16           HA       SER  16   0.579  -8.111  -8.111
  120   1HB   SER  16          2HB       SER  16  -1.041  -7.107  -7.107
  121   2HB   SER  16          1HB       SER  16   0.669  -7.538  -7.538
  122    HG   SER  16           HG       SER  16   1.110  -6.113  -6.113
  123    H    ASN  17           H        ASN  17   0.413 -10.249 -10.249
  124    HA   ASN  17           HA       ASN  17   0.556 -12.173 -12.173
  125   1HB   ASN  17          2HB       ASN  17  -1.437 -13.582 -13.582
  126   2HB   ASN  17          1HB       ASN  17  -1.799 -12.401 -12.401
  127   1HD2  ASN  17          2HD2      ASN  17  -2.707 -11.505 -11.505
  128   2HD2  ASN  17          1HD2      ASN  17  -1.522 -12.674 -12.674
  129   1HN   NH2  18          1HT       ASN  17   0.220 -11.578 -11.578
  130   2HN   NH2  18          2HT       ASN  17   1.275 -12.818 -12.818

  Start of MODEL   15
    1   1H    GLY   1          3H        GLY   1  -0.905  13.942  13.942
    2   2H    GLY   1          2H        GLY   1  -0.016  13.965  13.965
    3   3H    GLY   1          1H        GLY   1  -1.555  13.245  13.245
    4   1HA   GLY   1          1HA       GLY   1   0.118  11.585  11.585
    5   2HA   GLY   1          2HA       GLY   1   0.818  12.333  12.333
    6    H    GLU   2           H        GLU   2  -0.829  12.704  12.704
    7    HA   GLU   2           HA       GLU   2  -1.845  10.259  10.259
    8   1HB   GLU   2          2HB       GLU   2  -2.591  13.115  13.115
    9   2HB   GLU   2          1HB       GLU   2  -3.103  11.715  11.715
   10   1HG   GLU   2          2HG       GLU   2  -0.604  11.082  11.082
   11   2HG   GLU   2          1HG       GLU   2  -0.250  12.678  12.678
   12   1HN   CGU   3           HN       GLA   3  -3.212  12.468  12.468
   13    HA   CGU   3           HA       GLA   3  -5.958  12.082  12.082
   14   1HB   CGU   3          1HB       GLA   3  -5.155  12.274  12.274
   15   2HB   CGU   3          2HB       GLA   3  -4.190  13.346  13.346
   16    HG   CGU   3           HG       GLA   3  -6.251  14.211  14.211
   17   1HN   CGU   4           HN       GLA   4  -3.666  10.343  10.343
   18    HA   CGU   4           HA       GLA   4  -5.669   8.189   8.189
   19   1HB   CGU   4          1HB       GLA   4  -4.176   7.520   7.520
   20   2HB   CGU   4          2HB       GLA   4  -3.086   8.826   8.826
   21    HG   CGU   4           HG       GLA   4  -4.813  10.482  10.482
   22    H    LEU   5           H        LEU   5  -2.957   8.730   8.730
   23    HA   LEU   5           HA       LEU   5  -1.813   6.094   6.094
   24   1HB   LEU   5          2HB       LEU   5  -1.774   8.362   8.362
   25   2HB   LEU   5          1HB       LEU   5  -1.109   6.828   6.828
   26    HG   LEU   5           HG       LEU   5  -0.229   8.174   8.174
   27   1HD1  LEU   5          1HD1      LEU   5   0.248   9.684   9.684
   28   2HD1  LEU   5          3HD1      LEU   5   1.110   8.369   8.369
   29   3HD1  LEU   5          2HD1      LEU   5   1.716   9.052   9.052
   30   1HD2  LEU   5          3HD2      LEU   5   0.938   5.964   5.964
   31   2HD2  LEU   5          2HD2      LEU   5   0.343   5.800   5.800
   32   3HD2  LEU   5          1HD2      LEU   5   1.809   6.708   6.708
   33    H    GLN   6           H        GLN   6  -4.400   7.506   7.506
   34    HA   GLN   6           HA       GLN   6  -4.816   5.352   5.352
   35   1HB   GLN   6          2HB       GLN   6  -5.855   7.497   7.497
   36   2HB   GLN   6          1HB       GLN   6  -6.657   7.522   7.522
   37   1HG   GLN   6          2HG       GLN   6  -8.168   6.966   6.966
   38   2HG   GLN   6          1HG       GLN   6  -8.235   5.800   5.800
   39   1HE2  GLN   6          2HE2      GLN   6  -6.275   4.726   4.726
   40   2HE2  GLN   6          1HE2      GLN   6  -6.293   6.359   6.359
   41   1HN   CGU   7           HN       GLA   7  -6.893   6.110   6.110
   42    HA   CGU   7           HA       GLA   7  -8.284   3.660   3.660
   43   1HB   CGU   7          1HB       GLA   7  -9.155   5.441   5.441
   44   2HB   CGU   7          2HB       GLA   7  -8.677   4.245   4.245
   45    HG   CGU   7           HG       GLA   7  -6.426   6.003   6.003
   46    H    ASN   8           H        ASN   8  -5.187   4.511   4.511
   47    HA   ASN   8           HA       ASN   8  -4.883   2.139   2.139
   48   1HB   ASN   8          2HB       ASN   8  -3.548   4.191   4.191
   49   2HB   ASN   8          1HB       ASN   8  -2.740   3.999   3.999
   50   1HD2  ASN   8          2HD2      ASN   8  -1.866   1.387   1.387
   51   2HD2  ASN   8          1HD2      ASN   8  -3.364   2.188   2.188
   52    H    GLN   9           H        GLN   9  -4.139   2.944   2.944
   53    HA   GLN   9           HA       GLN   9  -2.506   0.618   0.618
   54   1HB   GLN   9          2HB       GLN   9  -3.851   2.717   2.717
   55   2HB   GLN   9          1HB       GLN   9  -3.253   1.279   1.279
   56   1HG   GLN   9          2HG       GLN   9  -0.998   1.670   1.670
   57   2HG   GLN   9          1HG       GLN   9  -1.511   2.966   2.966
   58   1HE2  GLN   9          2HE2      GLN   9  -2.155   5.223   5.223
   59   2HE2  GLN   9          1HE2      GLN   9  -2.909   4.732   4.732
   60   1HN   CGU  10           HN       GLA  10  -5.795   0.931   0.931
   61    HA   CGU  10           HA       GLA  10  -6.450  -1.429  -1.429
   62   1HB   CGU  10          1HB       GLA  10  -8.751  -0.872  -0.872
   63   2HB   CGU  10          2HB       GLA  10  -8.400   0.033   0.033
   64    HG   CGU  10           HG       GLA  10  -7.399   1.814   1.814
   65    H    LEU  11           H        LEU  11  -6.676  -0.367  -0.367
   66    HA   LEU  11           HA       LEU  11  -7.352  -2.984  -2.984
   67   1HB   LEU  11          2HB       LEU  11  -6.859  -2.005  -2.005
   68   2HB   LEU  11          1HB       LEU  11  -7.913  -0.999  -0.999
   69    HG   LEU  11           HG       LEU  11  -5.653   0.201   0.201
   70   1HD1  LEU  11          2HD1      LEU  11  -4.771  -1.564  -1.564
   71   2HD1  LEU  11          1HD1      LEU  11  -4.382   0.119   0.119
   72   3HD1  LEU  11          3HD1      LEU  11  -3.813  -0.667  -0.667
   73   1HD2  LEU  11          3HD2      LEU  11  -7.072   0.562   0.562
   74   2HD2  LEU  11          2HD2      LEU  11  -7.429   1.385   1.385
   75   3HD2  LEU  11          1HD2      LEU  11  -5.945   1.740   1.740
   76    H    ILE  12           H        ILE  12  -4.290  -1.470  -1.470
   77    HA   ILE  12           HA       ILE  12  -2.739  -3.344  -3.344
   78    HB   ILE  12           HB       ILE  12  -1.905  -1.023  -1.023
   79   1HG1  ILE  12          2HG1      ILE  12   0.440  -1.850  -1.850
   80   2HG1  ILE  12          1HG1      ILE  12  -0.189  -3.481  -3.481
   81   1HG2  ILE  12          2HG2      ILE  12  -2.675  -1.451  -1.451
   82   2HG2  ILE  12          1HG2      ILE  12  -1.224  -2.419  -2.419
   83   3HG2  ILE  12          3HG2      ILE  12  -1.093  -0.715  -0.715
   84   1HD1  ILE  12          3HD1      ILE  12  -0.761  -1.794  -1.794
   85   2HD1  ILE  12          2HD1      ILE  12   0.787  -2.605  -2.605
   86   3HD1  ILE  12          1HD1      ILE  12  -0.693  -3.546  -3.546
   87    H    ARG  13           H        ARG  13  -3.996  -3.161  -3.161
   88    HA   ARG  13           HA       ARG  13  -2.506  -5.374  -5.374
   89   1HB   ARG  13          2HB       ARG  13  -3.808  -3.608  -3.608
   90   2HB   ARG  13          1HB       ARG  13  -5.284  -4.431  -4.431
   91   1HG   ARG  13          2HG       ARG  13  -4.654  -6.442  -6.442
   92   2HG   ARG  13          1HG       ARG  13  -2.995  -5.903  -5.903
   93   1HD   ARG  13          2HD       ARG  13  -3.845  -3.994  -3.994
   94   2HD   ARG  13          1HD       ARG  13  -5.453  -4.723  -4.723
   95    HE   ARG  13           HE       ARG  13  -3.696  -6.763  -6.763
   96   1HH1  ARG  13          1HH2      ARG  13  -4.789  -3.674  -3.674
   97   2HH1  ARG  13          2HH2      ARG  13  -4.593  -4.090  -4.090
   98   1HH2  ARG  13          2HH1      ARG  13  -3.436  -7.309  -7.309
   99   2HH2  ARG  13          1HH1      ARG  13  -3.818  -6.178  -6.178
  100   1HN   CGU  14           HN       GLA  14  -5.640  -5.015  -5.015
  101    HA   CGU  14           HA       GLA  14  -6.558  -7.698  -7.698
  102   1HB   CGU  14          1HB       GLA  14  -7.972  -7.002  -7.002
  103   2HB   CGU  14          2HB       GLA  14  -7.096  -5.485  -5.485
  104    HG   CGU  14           HG       GLA  14  -7.798  -5.282  -5.282
  105    H    LYS  15           H        LYS  15  -4.653  -6.037  -6.037
  106    HA   LYS  15           HA       LYS  15  -4.413  -8.337  -8.337
  107   1HB   LYS  15          2HB       LYS  15  -3.398  -5.519  -5.519
  108   2HB   LYS  15          1HB       LYS  15  -2.351  -6.643  -6.643
  109   1HG   LYS  15          2HG       LYS  15  -3.819  -5.832  -5.832
  110   2HG   LYS  15          1HG       LYS  15  -4.412  -7.434  -7.434
  111   1HD   LYS  15          2HD       LYS  15  -5.951  -6.071  -6.071
  112   2HD   LYS  15          1HD       LYS  15  -5.609  -4.740  -4.740
  113   1HE   LYS  15          2HE       LYS  15  -6.432  -6.191  -6.191
  114   2HE   LYS  15          1HE       LYS  15  -6.898  -7.401  -7.401
  115   1HZ   LYS  15          2HZ       LYS  15  -8.121  -5.414  -5.414
  116   2HZ   LYS  15          1HZ       LYS  15  -8.018  -4.738  -4.738
  117   3HZ   LYS  15          3HZ       LYS  15  -8.810  -6.223  -6.223
  118    H    SER  16           H        SER  16  -2.729  -7.152  -7.152
  119    HA   SER  16           HA       SER  16  -0.378  -8.907  -8.907
  120   1HB   SER  16          2HB       SER  16  -1.077  -6.851  -6.851
  121   2HB   SER  16          1HB       SER  16   0.425  -7.787  -7.787
  122    HG   SER  16           HG       SER  16  -0.047  -5.620  -5.620
  123    H    ASN  17           H        ASN  17  -3.032  -9.986  -9.986
  124    HA   ASN  17           HA       ASN  17  -2.480 -11.921 -11.921
  125   1HB   ASN  17          2HB       ASN  17  -4.722  -9.903  -9.903
  126   2HB   ASN  17          1HB       ASN  17  -5.140 -11.538 -11.538
  127   1HD2  ASN  17          2HD2      ASN  17  -2.719  -9.291  -9.291
  128   2HD2  ASN  17          1HD2      ASN  17  -3.065  -8.772  -8.772
  129   1HN   NH2  18          1HT       ASN  17  -4.349 -10.921 -10.921
  130   2HN   NH2  18          2HT       ASN  17  -4.802 -12.488 -12.488

  Start of MODEL   16
    1   1H    GLY   1          2H        GLY   1   2.277  13.170  13.170
    2   2H    GLY   1          1H        GLY   1   1.542  14.196  14.196
    3   3H    GLY   1          3H        GLY   1   0.685  13.700  13.700
    4   1HA   GLY   1          1HA       GLY   1  -0.045  12.517  12.517
    5   2HA   GLY   1          2HA       GLY   1   1.661  11.955  11.955
    6    H    GLU   2           H        GLU   2   2.248  11.608  11.608
    7    HA   GLU   2           HA       GLU   2   1.137   8.948   8.948
    8   1HB   GLU   2          2HB       GLU   2   3.567   9.956   9.956
    9   2HB   GLU   2          1HB       GLU   2   2.891  10.401  10.401
   10   1HG   GLU   2          2HG       GLU   2   2.285   7.577   7.577
   11   2HG   GLU   2          1HG       GLU   2   4.003   7.904   7.904
   12   1HN   CGU   3           HN       GLA   3  -0.510  11.485  11.485
   13    HA   CGU   3           HA       GLA   3  -1.446  11.311  11.311
   14   1HB   CGU   3          1HB       GLA   3  -2.193  13.464  13.464
   15   2HB   CGU   3          2HB       GLA   3  -2.767  13.169  13.169
   16    HG   CGU   3           HG       GLA   3  -0.491  13.306  13.306
   17   1HN   CGU   4           HN       GLA   4  -2.696  11.224  11.224
   18    HA   CGU   4           HA       GLA   4  -5.220  10.012  10.012
   19   1HB   CGU   4          1HB       GLA   4  -4.941  11.675  11.675
   20   2HB   CGU   4          2HB       GLA   4  -5.947  10.296  10.296
   21    HG   CGU   4           HG       GLA   4  -3.227   9.566   9.566
   22    H    LEU   5           H        LEU   5  -2.232   8.771   8.771
   23    HA   LEU   5           HA       LEU   5  -2.447   6.472   6.472
   24   1HB   LEU   5          2HB       LEU   5  -0.444   5.815   5.815
   25   2HB   LEU   5          1HB       LEU   5  -0.438   7.539   7.539
   26    HG   LEU   5           HG       LEU   5   0.302   6.900   6.900
   27   1HD1  LEU   5          3HD1      LEU   5  -2.043   8.185   8.185
   28   2HD1  LEU   5          2HD1      LEU   5  -2.451   6.737   6.737
   29   3HD1  LEU   5          1HD1      LEU   5  -1.086   7.713   7.713
   30   1HD2  LEU   5          1HD2      LEU   5  -0.178   4.407   4.407
   31   2HD2  LEU   5          3HD2      LEU   5  -0.206   4.938   4.938
   32   3HD2  LEU   5          2HD2      LEU   5  -1.711   4.667   4.667
   33    H    GLN   6           H        GLN   6  -4.084   7.230   7.230
   34    HA   GLN   6           HA       GLN   6  -4.453   4.711   4.711
   35   1HB   GLN   6          2HB       GLN   6  -5.400   7.355   7.355
   36   2HB   GLN   6          1HB       GLN   6  -6.856   6.419   6.419
   37   1HG   GLN   6          2HG       GLN   6  -6.391   6.335   6.335
   38   2HG   GLN   6          1HG       GLN   6  -5.947   4.753   4.753
   39   1HE2  GLN   6          2HE2      GLN   6  -2.497   5.152   5.152
   40   2HE2  GLN   6          1HE2      GLN   6  -3.681   4.196   4.196
   41   1HN   CGU   7           HN       GLA   7  -6.534   6.268   6.268
   42    HA   CGU   7           HA       GLA   7  -8.439   4.140   4.140
   43   1HB   CGU   7          1HB       GLA   7  -9.002   6.291   6.291
   44   2HB   CGU   7          2HB       GLA   7  -9.024   5.134   5.134
   45    HG   CGU   7           HG       GLA   7  -6.351   6.259   6.259
   46    H    ASN   8           H        ASN   8  -5.282   4.500   4.500
   47    HA   ASN   8           HA       ASN   8  -5.553   2.236   2.236
   48   1HB   ASN   8          2HB       ASN   8  -4.000   4.623   4.623
   49   2HB   ASN   8          1HB       ASN   8  -2.840   3.338   3.338
   50   1HD2  ASN   8          2HD2      ASN   8  -3.797   1.697   1.697
   51   2HD2  ASN   8          1HD2      ASN   8  -3.607   1.268   1.268
   52    H    GLN   9           H        GLN   9  -4.513   2.924   2.924
   53    HA   GLN   9           HA       GLN   9  -2.519   0.918   0.918
   54   1HB   GLN   9          2HB       GLN   9  -3.157   2.942   2.942
   55   2HB   GLN   9          1HB       GLN   9  -4.444   1.934   1.934
   56   1HG   GLN   9          2HG       GLN   9  -2.801   0.270   0.270
   57   2HG   GLN   9          1HG       GLN   9  -1.488   1.169   1.169
   58   1HE2  GLN   9          2HE2      GLN   9  -3.124   2.529   2.529
   59   2HE2  GLN   9          1HE2      GLN   9  -3.922   1.330   1.330
   60   1HN   CGU  10           HN       GLA  10  -6.008   0.896   0.896
   61    HA   CGU  10           HA       GLA  10  -6.148  -1.773  -1.773
   62   1HB   CGU  10          1HB       GLA  10  -8.574  -1.098  -1.098
   63   2HB   CGU  10          2HB       GLA  10  -8.017   0.349   0.349
   64    HG   CGU  10           HG       GLA  10  -9.490  -0.739  -0.739
   65    H    LEU  11           H        LEU  11  -6.259  -0.381  -0.381
   66    HA   LEU  11           HA       LEU  11  -6.951  -2.727  -2.727
   67   1HB   LEU  11          2HB       LEU  11  -5.517  -0.147  -0.147
   68   2HB   LEU  11          1HB       LEU  11  -5.618  -1.397  -1.397
   69    HG   LEU  11           HG       LEU  11  -7.452   0.472   0.472
   70   1HD1  LEU  11          3HD1      LEU  11  -7.518  -1.596  -1.596
   71   2HD1  LEU  11          2HD1      LEU  11  -8.350  -2.439  -2.439
   72   3HD1  LEU  11          1HD1      LEU  11  -9.114  -1.069  -1.069
   73   1HD2  LEU  11          1HD2      LEU  11  -8.020   0.223   0.223
   74   2HD2  LEU  11          3HD2      LEU  11  -9.413   0.060   0.060
   75   3HD2  LEU  11          2HD2      LEU  11  -8.685  -1.366  -1.366
   76    H    ILE  12           H        ILE  12  -3.808  -1.497  -1.497
   77    HA   ILE  12           HA       ILE  12  -2.413  -3.716  -3.716
   78    HB   ILE  12           HB       ILE  12  -1.392  -1.439  -1.439
   79   1HG1  ILE  12          2HG1      ILE  12   0.307  -3.515  -3.515
   80   2HG1  ILE  12          1HG1      ILE  12  -0.052  -3.626  -3.626
   81   1HG2  ILE  12          3HG2      ILE  12  -1.308  -2.177  -2.177
   82   2HG2  ILE  12          2HG2      ILE  12  -0.432  -0.832  -0.832
   83   3HG2  ILE  12          1HG2      ILE  12  -2.178  -0.850  -0.850
   84   1HD1  ILE  12          3HD1      ILE  12   0.920  -1.339  -1.339
   85   2HD1  ILE  12          2HD1      ILE  12   1.400  -1.332  -1.332
   86   3HD1  ILE  12          1HD1      ILE  12   2.082  -2.514  -2.514
   87    H    ARG  13           H        ARG  13  -4.151  -3.383  -3.383
   88    HA   ARG  13           HA       ARG  13  -2.642  -5.390  -5.390
   89   1HB   ARG  13          2HB       ARG  13  -3.741  -3.301  -3.301
   90   2HB   ARG  13          1HB       ARG  13  -5.289  -4.058  -4.058
   91   1HG   ARG  13          2HG       ARG  13  -4.825  -4.669  -4.669
   92   2HG   ARG  13          1HG       ARG  13  -4.333  -6.096  -6.096
   93   1HD   ARG  13          2HD       ARG  13  -1.938  -5.013  -5.013
   94   2HD   ARG  13          1HD       ARG  13  -2.566  -3.934  -3.934
   95    HE   ARG  13           HE       ARG  13  -3.234  -6.496  -6.496
   96   1HH1  ARG  13          2HH1      ARG  13  -0.334  -4.805  -4.805
   97   2HH1  ARG  13          1HH1      ARG  13   0.660  -5.724  -5.724
   98   1HH2  ARG  13          1HH2      ARG  13  -1.987  -7.666  -7.666
   99   2HH2  ARG  13          2HH2      ARG  13  -0.286  -7.365  -7.365
  100   1HN   CGU  14           HN       GLA  14  -5.615  -5.071  -5.071
  101    HA   CGU  14           HA       GLA  14  -6.542  -7.788  -7.788
  102   1HB   CGU  14          1HB       GLA  14  -8.510  -7.215  -7.215
  103   2HB   CGU  14          2HB       GLA  14  -7.692  -5.794  -5.794
  104    HG   CGU  14           HG       GLA  14  -7.519  -4.983  -4.983
  105    H    LYS  15           H        LYS  15  -5.448  -5.986  -5.986
  106    HA   LYS  15           HA       LYS  15  -5.340  -8.373  -8.373
  107   1HB   LYS  15          2HB       LYS  15  -4.283  -5.573  -5.573
  108   2HB   LYS  15          1HB       LYS  15  -4.576  -6.847  -6.847
  109   1HG   LYS  15          2HG       LYS  15  -6.949  -6.744  -6.744
  110   2HG   LYS  15          1HG       LYS  15  -6.852  -5.810  -5.810
  111   1HD   LYS  15          2HD       LYS  15  -7.503  -4.309  -4.309
  112   2HD   LYS  15          1HD       LYS  15  -5.880  -3.885  -3.885
  113   1HE   LYS  15          2HE       LYS  15  -6.204  -5.847  -5.847
  114   2HE   LYS  15          1HE       LYS  15  -6.490  -4.143  -4.143
  115   1HZ   LYS  15          2HZ       LYS  15  -4.288  -3.711  -3.711
  116   2HZ   LYS  15          1HZ       LYS  15  -4.015  -5.387  -5.387
  117   3HZ   LYS  15          3HZ       LYS  15  -4.243  -4.559  -4.559
  118    H    SER  16           H        SER  16  -3.402  -7.175  -7.175
  119    HA   SER  16           HA       SER  16  -1.214  -7.494  -7.494
  120   1HB   SER  16          2HB       SER  16  -1.927  -9.883  -9.883
  121   2HB   SER  16          1HB       SER  16  -1.384  -9.905  -9.905
  122    HG   SER  16           HG       SER  16   0.402  -8.875  -8.875
  123    H    ASN  17           H        ASN  17  -0.163  -8.962  -8.962
  124    HA   ASN  17           HA       ASN  17   0.716  -6.551  -6.551
  125   1HB   ASN  17          2HB       ASN  17   3.214  -7.080  -7.080
  126   2HB   ASN  17          1HB       ASN  17   2.418  -6.483  -6.483
  127   1HD2  ASN  17          1HD2      ASN  17   3.750  -9.391  -9.391
  128   2HD2  ASN  17          2HD2      ASN  17   3.790 -10.327 -10.327
  129   1HN   NH2  18          1HT       ASN  17   2.335  -7.226  -7.226
  130   2HN   NH2  18          2HT       ASN  17   2.009  -8.717  -8.717

  Start of MODEL   17
    1   1H    GLY   1          2H        GLY   1   3.686   5.824   5.824
    2   2H    GLY   1          1H        GLY   1   4.999   4.808   4.808
    3   3H    GLY   1          3H        GLY   1   3.517   4.600   4.600
    4   1HA   GLY   1          1HA       GLY   1   3.806   2.921   2.921
    5   2HA   GLY   1          2HA       GLY   1   4.000   4.221   4.221
    6    H    GLU   2           H        GLU   2   2.113   2.330   2.330
    7    HA   GLU   2           HA       GLU   2  -0.464   2.840   2.840
    8   1HB   GLU   2          2HB       GLU   2   0.606   1.479   1.479
    9   2HB   GLU   2          1HB       GLU   2  -1.119   1.749   1.749
   10   1HG   GLU   2          2HG       GLU   2  -0.438  -0.486  -0.486
   11   2HG   GLU   2          1HG       GLU   2  -1.252   0.520   0.520
   12   1HN   CGU   3           HN       GLA   3   1.287   4.576   4.576
   13    HA   CGU   3           HA       GLA   3  -0.919   5.834   5.834
   14   1HB   CGU   3          1HB       GLA   3   0.685   7.072   7.072
   15   2HB   CGU   3          2HB       GLA   3   1.767   7.176   7.176
   16    HG   CGU   3           HG       GLA   3   1.284   4.452   4.452
   17   1HN   CGU   4           HN       GLA   4   1.160   6.584   6.584
   18    HA   CGU   4           HA       GLA   4  -0.017   9.178   9.178
   19   1HB   CGU   4          1HB       GLA   4   1.400   8.983   8.983
   20   2HB   CGU   4          2HB       GLA   4   1.856   7.365   7.365
   21    HG   CGU   4           HG       GLA   4   2.367   9.826   9.826
   22    H    LEU   5           H        LEU   5  -0.255   5.901   5.901
   23    HA   LEU   5           HA       LEU   5  -2.218   6.387   6.387
   24   1HB   LEU   5          2HB       LEU   5  -0.713   3.920   3.920
   25   2HB   LEU   5          1HB       LEU   5  -1.889   3.853   3.853
   26    HG   LEU   5           HG       LEU   5   0.442   5.808   5.808
   27   1HD1  LEU   5          1HD1      LEU   5   0.437   2.901   2.901
   28   2HD1  LEU   5          3HD1      LEU   5   1.700   4.075   4.075
   29   3HD1  LEU   5          2HD1      LEU   5   1.409   3.546   3.546
   30   1HD2  LEU   5          1HD2      LEU   5  -1.267   4.405   4.405
   31   2HD2  LEU   5          3HD2      LEU   5  -1.421   6.086   6.086
   32   3HD2  LEU   5          2HD2      LEU   5   0.028   5.540   5.540
   33    H    GLN   6           H        GLN   6  -2.762   6.821   6.821
   34    HA   GLN   6           HA       GLN   6  -4.181   4.978   4.978
   35   1HB   GLN   6          2HB       GLN   6  -3.840   7.564   7.564
   36   2HB   GLN   6          1HB       GLN   6  -5.367   7.737   7.737
   37   1HG   GLN   6          2HG       GLN   6  -5.852   7.670   7.670
   38   2HG   GLN   6          1HG       GLN   6  -6.384   6.135   6.135
   39   1HE2  GLN   6          2HE2      GLN   6  -2.781   5.416   5.416
   40   2HE2  GLN   6          1HE2      GLN   6  -2.930   6.257   6.257
   41   1HN   CGU   7           HN       GLA   7  -5.472   6.540   6.540
   42    HA   CGU   7           HA       GLA   7  -8.127   5.361   5.361
   43   1HB   CGU   7          1HB       GLA   7  -8.621   6.390   6.390
   44   2HB   CGU   7          2HB       GLA   7  -6.928   6.468   6.468
   45    HG   CGU   7           HG       GLA   7  -6.495   8.114   8.114
   46    H    ASN   8           H        ASN   8  -5.249   4.708   4.708
   47    HA   ASN   8           HA       ASN   8  -6.355   2.251   2.251
   48   1HB   ASN   8          2HB       ASN   8  -3.580   3.478   3.478
   49   2HB   ASN   8          1HB       ASN   8  -4.283   2.250   2.250
   50   1HD2  ASN   8          1HD2      ASN   8  -4.609   5.654   5.654
   51   2HD2  ASN   8          2HD2      ASN   8  -5.440   6.163   6.163
   52    H    GLN   9           H        GLN   9  -5.231   2.848   2.848
   53    HA   GLN   9           HA       GLN   9  -3.221   0.786   0.786
   54   1HB   GLN   9          2HB       GLN   9  -3.165   1.386   1.386
   55   2HB   GLN   9          1HB       GLN   9  -3.732   2.868   2.868
   56   1HG   GLN   9          2HG       GLN   9  -6.135   1.993   1.993
   57   2HG   GLN   9          1HG       GLN   9  -5.355   0.798   0.798
   58   1HE2  GLN   9          2HE2      GLN   9  -3.932   3.661   3.661
   59   2HE2  GLN   9          1HE2      GLN   9  -3.211   2.502   2.502
   60   1HN   CGU  10           HN       GLA  10  -6.451   0.652   0.652
   61    HA   CGU  10           HA       GLA  10  -6.946  -1.840  -1.840
   62   1HB   CGU  10          1HB       GLA  10  -9.269  -1.547  -1.547
   63   2HB   CGU  10          2HB       GLA  10  -8.750  -0.182  -0.182
   64    HG   CGU  10           HG       GLA  10  -7.791   0.196   0.196
   65    H    LEU  11           H        LEU  11  -6.741  -0.627  -0.627
   66    HA   LEU  11           HA       LEU  11  -7.250  -3.228  -3.228
   67   1HB   LEU  11          2HB       LEU  11  -7.067  -2.110  -2.110
   68   2HB   LEU  11          1HB       LEU  11  -7.654  -0.869  -0.869
   69    HG   LEU  11           HG       LEU  11  -5.099  -0.236  -0.236
   70   1HD1  LEU  11          3HD1      LEU  11  -5.025  -2.218  -2.218
   71   2HD1  LEU  11          2HD1      LEU  11  -4.178  -0.720  -0.720
   72   3HD1  LEU  11          1HD1      LEU  11  -3.738  -1.685  -1.685
   73   1HD2  LEU  11          1HD2      LEU  11  -6.699   0.309   0.309
   74   2HD2  LEU  11          3HD2      LEU  11  -6.746   1.247   1.247
   75   3HD2  LEU  11          2HD2      LEU  11  -5.297   1.240   1.240
   76    H    ILE  12           H        ILE  12  -4.509  -1.704  -1.704
   77    HA   ILE  12           HA       ILE  12  -2.609  -3.485  -3.485
   78    HB   ILE  12           HB       ILE  12  -2.202  -0.953  -0.953
   79   1HG1  ILE  12          2HG1      ILE  12   0.264  -1.462  -1.462
   80   2HG1  ILE  12          1HG1      ILE  12  -0.207  -3.146  -3.146
   81   1HG2  ILE  12          1HG2      ILE  12  -2.949  -1.292  -1.292
   82   2HG2  ILE  12          3HG2      ILE  12  -1.297  -1.823  -1.823
   83   3HG2  ILE  12          2HG2      ILE  12  -1.614  -0.211  -0.211
   84   1HD1  ILE  12          2HD1      ILE  12  -0.486  -1.144  -1.144
   85   2HD1  ILE  12          1HD1      ILE  12   0.820  -2.304  -2.304
   86   3HD1  ILE  12          3HD1      ILE  12  -0.822  -2.867  -2.867
   87    H    ARG  13           H        ARG  13  -4.292  -3.049  -3.049
   88    HA   ARG  13           HA       ARG  13  -2.738  -4.683  -4.683
   89   1HB   ARG  13          2HB       ARG  13  -4.303  -3.285  -3.285
   90   2HB   ARG  13          1HB       ARG  13  -5.592  -3.669  -3.669
   91   1HG   ARG  13          2HG       ARG  13  -4.537  -5.878  -5.878
   92   2HG   ARG  13          1HG       ARG  13  -5.489  -4.618  -4.618
   93   1HD   ARG  13          2HD       ARG  13  -6.821  -5.537  -5.537
   94   2HD   ARG  13          1HD       ARG  13  -6.482  -6.876  -6.876
   95    HE   ARG  13           HE       ARG  13  -7.892  -5.929  -5.929
   96   1HH1  ARG  13          2HH1      ARG  13  -7.578  -3.855  -3.855
   97   2HH1  ARG  13          1HH1      ARG  13  -8.914  -2.862  -2.862
   98   1HH2  ARG  13          1HH2      ARG  13  -9.584  -4.676  -4.676
   99   2HH2  ARG  13          2HH2      ARG  13 -10.059  -3.327  -3.327
  100   1HN   CGU  14           HN       GLA  14  -5.383  -5.378  -5.378
  101    HA   CGU  14           HA       GLA  14  -5.736  -8.131  -8.131
  102   1HB   CGU  14          1HB       GLA  14  -7.371  -6.791  -6.791
  103   2HB   CGU  14          2HB       GLA  14  -7.048  -8.272  -8.272
  104    HG   CGU  14           HG       GLA  14  -5.554  -5.747  -5.747
  105    H    LYS  15           H        LYS  15  -3.372  -6.496  -6.496
  106    HA   LYS  15           HA       LYS  15  -2.376  -8.985  -8.985
  107   1HB   LYS  15          2HB       LYS  15  -2.357  -6.838  -6.838
  108   2HB   LYS  15          1HB       LYS  15  -1.327  -6.101  -6.101
  109   1HG   LYS  15          2HG       LYS  15  -0.025  -6.886  -6.886
  110   2HG   LYS  15          1HG       LYS  15   0.468  -7.738  -7.738
  111   1HD   LYS  15          2HD       LYS  15   0.242  -9.266  -9.266
  112   2HD   LYS  15          1HD       LYS  15  -0.855  -9.722  -9.722
  113   1HE   LYS  15          2HE       LYS  15  -1.904  -7.823  -7.823
  114   2HE   LYS  15          1HE       LYS  15  -1.662  -9.498  -9.498
  115   1HZ   LYS  15          1HZ       LYS  15  -2.997 -10.134 -10.134
  116   2HZ   LYS  15          3HZ       LYS  15  -3.346  -8.494  -8.494
  117   3HZ   LYS  15          2HZ       LYS  15  -3.859  -9.255  -9.255
  118    H    SER  16           H        SER  16  -0.582  -6.370  -6.370
  119    HA   SER  16           HA       SER  16   1.255  -6.360  -6.360
  120   1HB   SER  16          2HB       SER  16  -0.550  -8.401  -8.401
  121   2HB   SER  16          1HB       SER  16   0.781  -7.513  -7.513
  122    HG   SER  16           HG       SER  16  -1.429  -6.375  -6.375
  123    H    ASN  17           H        ASN  17   2.070  -7.553  -7.553
  124    HA   ASN  17           HA       ASN  17   3.607  -9.027  -9.027
  125   1HB   ASN  17          2HB       ASN  17   4.269  -9.756  -9.756
  126   2HB   ASN  17          1HB       ASN  17   5.320  -9.930  -9.930
  127   1HD2  ASN  17          2HD2      ASN  17   6.295  -6.532  -6.532
  128   2HD2  ASN  17          1HD2      ASN  17   6.307  -8.009  -8.009
  129   1HN   NH2  18          1HT       ASN  17   0.839 -10.022 -10.022
  130   2HN   NH2  18          2HT       ASN  17   0.970 -11.715 -11.715