*HEADER    NEUROTOXIN                              02-AUG-96   1MVJ      
*TITLE     N-TYPE CALCIUM CHANNEL BLOCKER, OMEGA-CONOTOXIN MVIIA         
*TITLE    2 NMR, 15 STRUCTURES                                           
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: SVIB;                                              
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: OMEGA-CONOTOXIN SVIB;                               
*COMPND   5 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS STRIATUS;                         
*SOURCE   4 ORGANISM_COMMON: STRIATED CONE                               
*KEYWDS    CONUS STRIATUS PEPTIDE SPECIFIC TO P/Q-TYPE VOLTAGE           
*KEYWDS   2 SENSITIVE CALCIUM CHANNEL, NEUROTOXIN                        
*EXPDTA    NMR, 15 STRUCTURES                                            
*AUTHOR    K.J.NIELSEN,L.THOMAS,R.J.LEWIS,P.F.ALEWOOD,D.J.CRAIK          
*REVDAT   1   12-OCT-04 1MVJ    0   

------------------------------------------------------------------------
NOE.TBL
-----------------------------------------------------------------------
!  NOE table  Oct '95
! 
!residue 1
assign (resid  1  and name HB2  ) (resid   1 and name HA   ) 0 0 3.5 !C26 S
assign (resid  1  and name HB1  ) (resid   1 and name HA   ) 0 0 3.5 !C25 M-S
assign (resid 16  and name HA   ) (resid   1 and name HA   ) 0 0 6.0 !C24 vW 
assign (resid 15  and name HB2  ) (resid   1 and name HB*  ) 0 0 6.0 !C86 W  
assign (resid 16  and name HB2  ) (resid   1 and name HB*  ) 0 0 6.0 !C89 W  

!residue 2
assign (resid  15  and name HA   ) (resid   2 and name HN   ) 0 0 2.7 ! A16 S
assign (resid  1  and name HA   ) (resid   2 and name HN   ) 0 0 2.7 ! A17 S
assign (resid  2  and name HA   ) (resid   2 and name HN   ) 0 0 3.5 ! A18 M
assign (resid 16  and name HA   ) (resid   2 and name HN   ) 0 0 5.0 ! A19 W
assign (resid  1  and name HB1   ) (resid   2 and name HN   ) 0 0 3.5 !A21 S
assign (resid  1  and name HB2   ) (resid   2 and name HN   ) 0 0 3.5 ! A20 M
assign (resid  15  and name HB*   ) (resid   2 and name HN   ) 0 0 6.0 ! A22 W
assign (resid  2  and name HB*  ) (resid   2 and name HN   ) 0 0 4.5 ! A23 M
assign (resid  2  and name HG1  ) (resid   2 and name HN   ) 0 0 3.5 ! A24 VW
assign (resid  2  and name HD1  ) (resid   2 and name HN   ) 0 0 6.0 ! A25 W
assign (resid  2  and name HD2  ) (resid   2 and name HN   ) 0 0 6.0 ! A26 vW
assign (resid  2  and name HG2  ) (resid   2 and name HN   ) 0 0 3.5 ! A27 W
assign (resid  15  and name HN   ) (resid   2 and name HN   ) 0 0 5.0 !B5  W 
assign (resid  3   and name HN   ) (resid   2 and name HN   ) 0 0 5.0 !B6  W 
assign (resid  2  and name HB2   ) (resid   2 and name HA   ) 0 0 4.5 !C40 M   
assign (resid  2  and name HD1   ) (resid   2 and name HA   ) 0 0 3.5 !C42 M   
assign (resid  2  and name HD2   ) (resid   2 and name HA   ) 0 0 3.5 !C43 M   
assign (resid  2  and name HG1   ) (resid   2 and name HA   ) 0 0 5.0 !C44 W   
assign (resid  2  and name HG2   ) (resid   2 and name HA   ) 0 0 5.0 !C45 M   
assign (resid  6  and name HB*   ) (resid   2 and name HA   ) 0 0 7.0 !C39 vW  
assign (resid  6  and name HG*   ) (resid   2 and name HA   ) 0 0 7.0 !C40 vW 
assign (resid 14  and name HB*   ) (resid   2 and name HG*  ) 0 0 7.0 !C97 vW  
assign (resid 14  and name HB*   ) (resid   2 and name HD*  ) 0 0 7.0 !C96 vW  
assign (resid 15  and name HB1   ) (resid   2 and name HD*  ) 0 0 7.0 !C96 vW  

!residue 3
assign (resid   2 and name HA   ) (resid   3 and name HN   ) 0 0 2.7 ! A90 S
assign (resid   3 and name HA   ) (resid   3 and name HN   ) 0 0 3.5 ! A92   
assign (resid   6 and name HB*  ) (resid   3 and name HN   ) 0 0 4.5 ! A100 M
assign (resid   6 and name HG*  ) (resid   3 and name HN   ) 0 0 6.0 ! A101 W
assign (resid   2 and name HB*  ) (resid   3 and name HN   ) 0 0 6.0 ! A102 W
assign (resid   3 and name HB2  ) (resid   3 and name HN   ) 0 0 3.5 ! A103 M
assign (resid   3 and name HB1  ) (resid   3 and name HN   ) 0 0 3.5 ! A104 M
assign (resid   3 and name HD1* ) (resid   3 and name HN   ) 0 0 5.0 ! A107 M
assign (resid   3 and name HD2* ) (resid   3 and name HN   ) 0 0 5.0 ! A108 M
assign (resid   6 and name HN   ) (resid   3 and name HN   ) 0 0 5.0 ! B31 W 
assign (resid   4 and name HN   ) (resid   3 and name HN   ) 0 0 5.0 ! B30 W 
assign (resid   6 and name HE21 ) (resid   3 and name HN   ) 0 0 6.0 ! B32 vW
assign (resid   6 and name HE22 ) (resid   3 and name HN   ) 0 0 6.0 ! B33 W 
assign (resid  16 and name HB2  ) (resid   3 and name HA   ) 0 0 6.0 ! C60 vW
assign (resid  16 and name HB1  ) (resid   3 and name HA   ) 0 0 5.0 ! C61 W 
assign (resid   3 and name HG   ) (resid   3 and name HA   ) 0 0 5.0 ! C62 W 
assign (resid   3 and name HB1  ) (resid   3 and name HA   ) 0 0 3.5 ! C63 M 
assign (resid   3 and name HB2  ) (resid   3 and name HA   ) 0 0 3.5 ! C64 M 
assign (resid   3 and name HD2* ) (resid   3 and name HA   ) 0 0 6.5 ! C65 W 
assign (resid   3 and name HD1* ) (resid   3 and name HA   ) 0 0 6.5 ! C66 S 
assign (resid   6 and name HB*  ) (resid   3 and name HD** ) 0 0 9.0 ! C99 W 
assign (resid  16 and name HB1  ) (resid   3 and name HD** ) 0 0 8.0 ! C98 W 

!residue 4
assign (resid   3 and name HA    ) (resid   4 and name HN   ) 0 0 2.7 ! A142 S   
assign (resid   4 and name HA    ) (resid   4 and name HN   ) 0 0 3.5 !A144 M   
assign (resid  26 and name HB1   ) (resid   4 and name HN   ) 0 0 6.0 !A145 vW  
assign (resid  26 and name HB2   ) (resid   4 and name HN   ) 0 0 6.0 !A146 vW  
assign (resid   6 and name HB*   ) (resid   4 and name HN   ) 0 0 7.0 !A147a vW 
assign (resid   4 and name HB2   ) (resid   4 and name HN   ) 0 0 2.7 !A147 S
assign (resid   4 and name HB1   ) (resid   4 and name HN   ) 0 0 2.7 !A148 S
assign (resid   4 and name HG*   ) (resid   4 and name HN   ) 0 0 6.0 !A150 W
assign (resid   3 and name HD1*  ) (resid   4 and name HN   ) 0 0 6.5 !A151 W
assign (resid   3 and name HD2*  ) (resid   4 and name HN   ) 0 0 6.5 !A152 M
assign (resid   4 and name HB1   ) (resid   4 and name HA   ) 0 0 3.5 !C76 M   
assign (resid   4 and name HB2   ) (resid   4 and name HA   ) 0 0 3.5 !C77 M   
assign (resid   4 and name HD*   ) (resid   4 and name HA   ) 0 0 6.0 !C78 W   
assign (resid   4 and name HG*   ) (resid   4 and name HA   ) 0 0 6.0 !C79 W   
assign (resid  26 and name HB1   ) (resid   4 and name HA   ) 0 0 3.5 !C83 M   
assign (resid  26 and name HB2   ) (resid   4 and name HA   ) 0 0 3.5 !C84 M   

!residue 5
assign (resid  5  and name HA1  ) (resid   5 and name HN   ) 0 0 3.5 ! A34 M  
assign (resid  5  and name HA2  ) (resid   5 and name HN   ) 0 0 3.5 ! A36 S  
assign (resid  4  and name HA   ) (resid   5 and name HN   ) 0 0 2.7 ! A35 S
assign (resid 26  and name HB1  ) (resid   5 and name HN   ) 0 0 5.0 ! A37 W
assign (resid 26  and name HB2  ) (resid   5 and name HN   ) 0 0 3.5 ! A38 M
assign (resid 26  and name HA   ) (resid   5 and name HN   ) 0 0 6.0 ! A44 vW
assign (resid  6  and name HB*  ) (resid   5 and name HN   ) 0 0 7.0 ! A38b vW
assign (resid  4  and name HB2  ) (resid   5 and name HN   ) 0 0 5.0 ! A39 W
assign (resid  4  and name HB1  ) (resid   5 and name HN   ) 0 0 5.0 ! A40 W
assign (resid  4  and name HD*  ) (resid   5 and name HN   ) 0 0 6.0 ! A41 W
assign (resid  4  and name HG*  ) (resid   5 and name HN   ) 0 0 6.0 ! A42 W
assign (resid  26 and name HN   ) (resid   5 and name HN   ) 0 0 3.5 ! B12 M
assign (resid  26 and name H1   ) (resid   5 and name HN   ) 0 0 5.0 ! B15 W
assign (resid  26 and name H2   ) (resid   5 and name HN   ) 0 0 5.0 ! B11 W
assign (resid   4 and name HN   ) (resid   5 and name HN   ) 0 0 5.0 ! B13 W 
assign (resid   6 and name HN   ) (resid   5 and name HN   ) 0 0 2.7 ! B14 S
assign (resid  25 and name HB1  ) (resid   5 and name HA1  ) 0 0 6.0 ! C58 vW
assign (resid  25 and name HB1  ) (resid   5 and name HA2  ) 0 0 6.0 ! C60 W
assign (resid  25 and name HB2  ) (resid   5 and name HA1  ) 0 0 5.0 ! C59 W
assign (resid  25 and name HB2  ) (resid   5 and name HA2  ) 0 0 5.0 ! C61 W

!residue 6
assign (resid  6  and name HA   ) (resid   6 and name HN   ) 0 0 3.5 !A160 M     
assign (resid  5  and name HA1   ) (resid   6 and name HN   ) 0 0 5.0 !A162 W   
assign (resid  5  and name HA2   ) (resid   6 and name HN   ) 0 0 5.0 !A168 M
assign (resid  4  and name HA   ) (resid   6 and name HN   ) 0 0 5.0 !A167 W 
assign (resid  26 and name HB1   ) (resid   6 and name HN   ) 0 0 5.0 !A170 W
assign (resid  26 and name HB2   ) (resid   6 and name HN   ) 0 0 3.5 !A171 M
assign (resid   6 and name HB*  ) (resid   6 and name HN    ) 0 0 3.7 !A176 S    
assign (resid   6 and name HG*  ) (resid   6 and name HN    ) 0 0 4.5 !A177 M    
assign (resid  4  and name HB2  ) (resid   6 and name HN   ) 0 0 6.0 !A179 vW
assign (resid  4  and name HB1  ) (resid   6 and name HN   ) 0 0 6.0 !A180 vW
assign (resid  4  and name HD*  ) (resid   6 and name HN   ) 0 0 6.0 !A181 W
assign (resid  4  and name HG*  ) (resid   6 and name HN   ) 0 0 7.0 !A182 vW
assign (resid  4  and name HN   ) (resid   6 and name HN   ) 0 0 5.0 !B48 W
assign (resid  6  and name HA   ) (resid   6 and name HE21 ) 0 0 6.0 !A184a vW   
assign (resid  6  and name HB1  ) (resid   6 and name HE21 ) 0 0 5.0 !A190 S     
assign (resid  6  and name HB2  ) (resid   6 and name HE21 ) 0 0 5.0 !A191 W     
assign (resid  3  and name HB2  ) (resid   6 and name HE21 ) 0 0 7.0 !A192 vvW   
assign (resid  3  and name HB1  ) (resid   6 and name HE21 ) 0 0 6.0 !A193 vW    
assign (resid  3  and name HD** ) (resid   6 and name HE21 ) 0 0 7.5 !A194 W     
!assign (resid 12  and name HN   ) (resid   6 and name HE21 ) 0 0 5.0 !B47 W      
assign (resid  6  and name HB1  ) (resid   6 and name HE22 ) 0 0 6.0 !A221 M     
assign (resid  6  and name HB2  ) (resid   6 and name HE22 ) 0 0 6.0 !A222 vW    
assign (resid  3  and name HG*  ) (resid   6 and name HE22 ) 0 0 7.0 !A223 vW    
assign (resid  3  and name HB2  ) (resid   6 and name HE22 ) 0 0 6.0 !A224 vW    
assign (resid  3  and name HB1  ) (resid   6 and name HE22 ) 0 0 6.0 !A225 vW    
assign (resid  3  and name HD** ) (resid   6 and name HE22 ) 0 0 7.5 !A226 W     
assign (resid  6  and name HB1  ) (resid   6 and name HA   ) 0 0 5.0 !C46 S      
assign (resid  6  and name HG*  ) (resid   6 and name HA   ) 0 0 4.5 !C47 M      


!residue 7
assign (resid   8 and name HA   ) (resid   7 and name HN   ) 0 0 7.0 ! A68 vvW SD
assign (resid   7 and name HA   ) (resid   7 and name HN   ) 0 0 3.5 ! A69 M
assign (resid   6 and name HA   ) (resid   7 and name HN   ) 0 0 2.7 ! A72  S
assign (resid   7 and name HB1  ) (resid   7 and name HN   ) 0 0 3.5 ! A74 M-S
assign (resid   7 and name HB2  ) (resid   7 and name HN   ) 0 0 3.5 ! A75 M-S
assign (resid   6 and name HB*  ) (resid   7 and name HN   ) 0 0 4.5 ! A81 M
assign (resid   6 and name HG*  ) (resid   7 and name HN   ) 0 0 3.7 ! A82 S
assign (resid   7 and name HB1  ) (resid   7 and name HA   ) 0 0 3.5 !C15 M 
assign (resid   7 and name HB2  ) (resid   7 and name HA   ) 0 0 3.5 !C14 M 

!residue 8
assign (resid  25 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 ! A87  M
assign (resid   8 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 ! A88  M
assign (resid   7 and name HA   ) (resid   8 and name HN   ) 0 0 2.7 ! A89  S
assign (resid  24 and name HA1  ) (resid   8 and name HN   ) 0 0 5.0 ! A93  W  
assign (resid  24 and name HA2  ) (resid   8 and name HN   ) 0 0 5.0 ! A96  W 
assign (resid  8  and name HB2  ) (resid   8 and name HN   ) 0 0 5.0 !A97  W
assign (resid  8  and name HB1   ) (resid   8 and name HN   ) 0 0 3.5 !A99  M-S
assign (resid 26  and name HB2   ) (resid   8 and name HN   ) 0 0 6.0 !A98  vW 
assign (resid 25  and name HB2   ) (resid   8 and name HN   ) 0 0 6.0 !A105 vW 
assign (resid 25  and name HG*   ) (resid   8 and name HN   ) 0 0 7.0 !A106 vW 
!assign (resid  7  and name HB1   ) (resid   8 and name HN   ) 0 0     !A94 OL  
assign (resid  7  and name HB2   ) (resid   8 and name HN   ) 0 0 3.5 !A95 M    
assign (resid 26  and name HN   ) (resid   8 and name HN   ) 0 0 5.0 !B28 W  
assign (resid   8 and name HB2  ) (resid   8 and name HA   ) 0 0 3.5 !C9  M-S
assign (resid   8 and name HB1  ) (resid   8 and name HA   ) 0 0 3.5 !C10 M-S
assign (resid  14 and name HB1  ) (resid   8 and name HA   ) 0 0 5.0 !C11 W  
assign (resid  14 and name HB2  ) (resid   8 and name HA   ) 0 0 5.0 !C12 W   
!assign (resid  2/10 and name HD*  ) (resid   8 and name HA   ) 0 0 6.0 !C13 W   
assign (resid  14 and name HB1  ) (resid   8 and name HB2  ) 0 0 5.0 !C89 W  
assign (resid  14 and name HB2  ) (resid   8 and name HB2  ) 0 0 5.0 !C90 W  
assign (resid  14 and name HB1  ) (resid   8 and name HB1  ) 0 0 5.0 !C91 W  
assign (resid  14 and name HB2  ) (resid   8 and name HB1  ) 0 0 5.0 !C92 W  

!residue 9
assign (resid  8  and name HA    ) (resid   9 and name HN   ) 0 0 2.7 ! A109 M   
assign (resid  9  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 ! A112 M
assign (resid 14  and name HB1   ) (resid   9 and name HN   ) 0 0 6.0 ! A117 vW
assign (resid 14  and name HB2   ) (resid   9 and name HN   ) 0 0 6.0 ! A117b W
assign (resid  9  and name HB*   ) (resid   9 and name HN   ) 0 0 4.5 ! A121 M
assign (resid  9  and name HG*   ) (resid   9 and name HN   ) 0 0 4.5 ! A122 M
assign (resid  8  and name HB2   ) (resid   9 and name HN   ) 0 0 2.7 ! A116 S
assign (resid  8  and name HB1   ) (resid   9 and name HN   ) 0 0 3.5 ! A117 M
assign (resid  14 and name HN    ) (resid   9 and name HN   ) 0 0 6.0 ! B34  vW 
!assign (resid   9 and name HH**  ) (resid   9/17/19 and name HN   ) 0 0 4.5 ! B35   
assign (resid  9  and name HB*   ) (resid   9 and name HH** ) 0 0 5.5 ! A207 M
assign (resid  9  and name HG*   ) (resid   9 and name HH** ) 0 0 5.5 ! A208 M
assign (resid  9  and name HB*   ) (resid   9 and name HA   ) 0 0 4.5 !C56 M  
assign (resid  9  and name HG*   ) (resid   9 and name HA   ) 0 0 4.5 !C57 M 
assign (resid 12  and name HB1   ) (resid   9 and name HB*  ) 0 0 6.0 !C74 W 
assign (resid 12  and name HB2   ) (resid   9 and name HB*  ) 0 0 6.0 !C75 W 

!residue 10
assign (resid  9  and name HA     ) (resid   10 and name HN   ) 0 0 3.5 ! A52 M
assign (resid  10 and name HA     ) (resid   10 and name HN   ) 0 0 3.5 ! A45 M
!!assign (resid  25 and name HA     ) (resid   10 and name HN   ) 0 0 6.0 ! A43 vW
!assign (resid  10 and name HE*    ) (resid   10 and name HN   ) 0 0 6.0 ! A46 vW
assign (resid  10  and name HB*   ) (resid   10 and name HN   ) 0 0 3.7 ! A48 S 
assign (resid  10  and name HD*   ) (resid   10 and name HN   ) 0 0 4.5 !A49 M
assign (resid  10  and name HG*   ) (resid   10 and name HN   ) 0 0 4.5 !A50 M
assign (resid  11  and name HG2*  ) (resid   10 and name HN   ) 0 0 7.5 !A51 vW
!!assign (resid  22  and name HN     ) (resid   10 and name HN   ) 0 0 5.0 ! B16 W not sure
assign (resid   9  and name HN     ) (resid   10 and name HN   ) 0 0 5.0 ! B17 W-M
assign (resid  21  and name HN     ) (resid   10 and name HN   ) 0 0 5.0 ! B18 W
assign (resid  11  and name HN     ) (resid   10 and name HN   ) 0 0 5.0 ! B19 M-W
assign (resid  12  and name HN     ) (resid   10 and name HN   ) 0 0 5.0 ! B20 W
assign (resid  20  and name HB*   ) (resid   10 and name HA   ) 0 0 3.7 !C70 S 
assign (resid  10  and name HB*   ) (resid   10 and name HA   ) 0 0 3.7 !C71 S 
assign (resid  10  and name HG*   ) (resid   10 and name HA   ) 0 0 4.5 !C73 M   
assign (resid  10  and name HD*   ) (resid   10 and name HA   ) 0 0 7.0 !C72 vW  

!residue 11
assign (resid  11  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !A163 M
assign (resid  10  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !A164 M
assign (resid  10  and name HB*   ) (resid   11 and name HN   ) 0 0 6.0 !A178 W
assign (resid  11  and name HG2*  ) (resid   11 and name HN   ) 0 0 6.5 !A183 W
assign (resid  12  and name HN    ) (resid   11 and name HN   ) 0 0 3.5 !B44 M 

!residue 12
assign (resid  12  and name HA   ) (resid   12 and name HN   ) 0 0 3.5 !A184 M
assign (resid  11  and name HA   ) (resid   12 and name HN   ) 0 0 3.5 !A185 M
assign (resid  10  and name HA   ) (resid   12 and name HN   ) 0 0 5.0 !A186 W
assign (resid  12  and name HB1   ) (resid   12 and name HN   ) 0 0 3.5 !A187 M
assign (resid  12  and name HB2   ) (resid   12 and name HN   ) 0 0 3.5 !A188 S 
assign (resid  20  and name HB*  ) (resid   12 and name HN   ) 0 0 6.0 !A189 M
assign (resid  10  and name HB*  ) (resid   12 and name HN   ) 0 0 7.0 !A192a vW
assign (resid  10  and name HG*  ) (resid   12 and name HN   ) 0 0 7.0 !A192b vW
assign (resid  11  and name HG2* ) (resid   12 and name HN   ) 0 0 6.5 !A192c W 
assign (resid  11  and name HN   ) (resid   12 and name HN   ) 0 0 3.5 !B44 M 
assign (resid  12  and name HB1  ) (resid   12 and name HA   ) 0 0 3.5 !C49 M 
assign (resid  12  and name HB2  ) (resid   12 and name HA   ) 0 0 3.5 !C50 S
assign (resid  20  and name HB*  ) (resid   12 and name HA   ) 0 0 7.0 !C54 vW

!residue 13
assign (resid  13  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !A141 M
assign (resid  12  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !A142 M
assign (resid  11  and name HA   ) (resid   13 and name HN   ) 0 0 5.0 !A136 W
assign (resid  12  and name HB1  ) (resid   13 and name HN   ) 0 0 5.0 !A133 M
assign (resid  12  and name HB2  ) (resid   13 and name HN   ) 0 0 5.0 !A134 W 
assign (resid  13  and name HB2  ) (resid   13 and name HN   ) 0 0 3.5 !A138 M-S
assign (resid  13  and name HB1  ) (resid   13 and name HN   ) 0 0 5.0 !A137 W-M
assign (resid  12  and name HN   ) (resid   13 and name HN   ) 0 0 3.5 !B42 M 
assign (resid  14  and name HN   ) (resid   13 and name HN   ) 0 0 3.5 !B41 M 
assign (resid  13  and name HD*  ) (resid   13 and name HN   ) 0 0 5.5 !B43 M 
assign (resid  13  and name HA   ) (resid   13 and name HD*  ) 0 0 4.7 !A214 S
assign (resid  14  and name HA   ) (resid   13 and name HD*  ) 0 0 8.0 !A215 vW
assign (resid  12  and name HA   ) (resid   13 and name HD*  ) 0 0 7.0 !A216 W
assign (resid  13  and name HB1  ) (resid   13 and name HD*  ) 0 0 5.5 !A217 M
assign (resid  13  and name HB2  ) (resid   13 and name HD*  ) 0 0 4.7 !A218 S
assign (resid  13  and name HB1  ) (resid   13 and name HE*  ) 0 0 8.0 !A230 vW
assign (resid  13  and name HB2  ) (resid   13 and name HE*  ) 0 0 8.0 !A231 vW
assign (resid  12  and name HA   ) (resid   13 and name HE*  ) 0 0 8.0 !A228 vW
assign (resid  11  and name HA   ) (resid   13 and name HE*  ) 0 0 8.0 !A229 vW
assign (resid  11  and name HG2* ) (resid   13 and name HE*  ) 0 0 9.0 !A232 vvW
assign (resid  13  and name HB1  ) (resid   13 and name HA   ) 0 0 2.7 !C19 S  
assign (resid  13  and name HB2  ) (resid   13 and name HA   ) 0 0 5.0 !C20 W  

!residue 14
assign (resid  14  and name HA   ) (resid   14 and name HN   ) 0 0 3.5 !A159 M
assign (resid  13  and name HA   ) (resid   14 and name HN   ) 0 0 3.5 !A158 M
assign (resid  12  and name HA   ) (resid   14 and name HN   ) 0 0 5.0 !A161 W
assign (resid  12  and name HB1  ) (resid   14 and name HN   ) 0 0 6.0 !A165 W
assign (resid  12  and name HB2  ) (resid   14 and name HN   ) 0 0 6.0 !A166 vW
assign (resid  13  and name HB1   ) (resid   14 and name HN   ) 0 0 6.0 !A169 vW
assign (resid  13  and name HB2   ) (resid   14 and name HN   ) 0 0 6.0 !A173 vW
assign (resid  14  and name HB1   ) (resid   14 and name HN   ) 0 0 3.5 !A174 S
assign (resid  14  and name HB2   ) (resid   14 and name HN   ) 0 0 3.5 !A175 M
assign (resid  14  and name HB1  ) (resid   14 and name HA   ) 0 0 5.0 !C37 S 
assign (resid  14  and name HB2  ) (resid   14 and name HA   ) 0 0 5.0 !C38 S 
assign (resid  13  and name HB1  ) (resid   14 and name HA   ) 0 0 6.0 !C36 vW
assign (resid  20  and name HB*  ) (resid   14 and name HN   ) 0 0 7.0 !A172 vW

!residue 15
assign (resid  15  and name HA   ) (resid   15 and name HN   ) 0 0 5.0 ! A58 W
assign (resid  14  and name HA   ) (resid   15 and name HN   ) 0 0 3.5 ! A60 M
!assign (resid  15  and name HB1  ) (resid   15 and name HN   ) 0 0 3.5 !A61 OL
assign (resid  14  and name HB*  ) (resid   15 and name HN   ) 0 0 4.5 ! A63 M
!assign (resid  14/15  and name HB*/HB2  ) (resid   15 and name HN   ) 0 0   ! A64 OL
assign (resid  20  and name HB*  ) (resid   15 and name HN   ) 0 0 7.0 ! A62 vW
assign (resid  14  and name HN   ) (resid   15 and name HN   ) 0 0 2.7 !B23 S 
assign (resid   2  and name HB*  ) (resid   15 and name HA   ) 0 0 6.0 !C18 W 
assign (resid  15  and name HB1  ) (resid   15 and name HA   ) 0 0 2.7 !C17 S 
assign (resid  15  and name HB2  ) (resid   15 and name HA   ) 0 0 3.5 !C16 M 

! residue 16
assign (resid  15  and name HA   ) (resid   16 and name HN   ) 0 0 2.7 ! A1 M
assign (resid  15  and name HN   ) (resid   16 and name HN   ) 0 0 5.0 ! B2 W
assign (resid   1  and name HA    ) (resid  16 and name HN   ) 0 0 6.0 ! A2 VW
assign (resid   2  and name HA    ) (resid  16 and name HN   ) 0 0 6.0 ! A3 VW
assign (resid   3  and name HA   ) (resid   16 and name HN   ) 0 0 6.0 ! A5 VW
assign (resid   16 and name HA   ) (resid   16 and name HN   ) 0 0 3.5 ! A4 M
!!assign (resid   12/19 name HBL  ) (resid   16 and name HN   ) 0 0 6.0 ! A6 vW
assign (resid   16 and name HB2  ) (resid   16 and name HN   ) 0 0 3.5 ! A7 OL
assign (resid   16 and name HB1  ) (resid   16 and name HN   ) 0 0 3.5 ! A10M
assign (resid   15 and name HB2 ) (resid   16 and name HN   ) 0 0 3.5 ! A11
!assign (resid   15 and name HB1  ) (resid   16 and name HN   ) 0 0 5.0 ! A7
assign (resid   1  and name HB*  ) (resid   16 and name HN   ) 0 0 4.5 ! A8 M
assign (resid    2 and name HB*  ) (resid   16 and name HN   ) 0 0 6.0 ! A12 W
assign (resid    2 and name HG1  ) (resid   16 and name HN   ) 0 0 6.0 ! A13 vW
assign (resid    2 and name HG2  ) (resid   16 and name HN   ) 0 0 6.0 ! A14 vW
assign (resid   26 and name HB2  ) (resid   16 and name HN   ) 0 0 7.0 ! A14 vvW
assign (resid   3  and name HD** ) (resid   16 and name HN   ) 0 0 8.5 ! A15 vW 
assign (resid    2 and name HN   ) (resid   16 and name HN   ) 0 0 2.7 ! B1 S
assign (resid   17 and name HN   ) (resid   16 and name HN   ) 0 0 2.7 ! B4 S
!!assign (resid   26 and name HN   ) (resid   16 and name HN   ) 0 0 6.0 ! B3 vW  ?
assign (resid    1 and name HA   ) (resid   16 and name HA   ) 0 0 5.0 !C97 W
assign (resid   16 and name HB1  ) (resid   16 and name HA   ) 0 0 5.0 !C55 S
assign (resid   16 and name HB2  ) (resid   16 and name HA   ) 0 0 2.7 !C52 W
assign (resid    1 and name HB1  ) (resid   16 and name HA   ) 0 0 3.5 !C53 S
assign (resid    1 and name HB2  ) (resid   16 and name HA   ) 0 0 3.5 !C52 M

!residue 17
assign (resid  15  and name HA   ) (resid   17 and name HN   ) 0 0 5.0 ! A110 W
assign (resid  17  and name HB   ) (resid   17 and name HN   ) 0 0 3.5 ! A102a M
assign (resid  17  and name HA   ) (resid   17 and name HN   ) 0 0 3.5 ! A102b M
assign (resid  16  and name HA   ) (resid   17 and name HN   ) 0 0 5.0 ! A102c W
assign (resid  16  and name HB1  ) (resid   17 and name HN   ) 0 0 2.7 ! A118 S
assign (resid  15  and name HB2  ) (resid   17 and name HN   ) 0 0 3.5 ! A120 M
assign (resid  18  and name HN   ) (resid   17 and name HN   ) 0 0 3.5 !B31 M
assign (resid  17  and name HB*  ) (resid   17 and name HA   ) 0 0 4.5 !C34 M  
assign (resid  18  and name HA1   ) (resid   17 and name HA   ) 0 0 6.0 !C30 vW  
assign (resid  18  and name HA2   ) (resid   17 and name HA   ) 0 0 6.0 !C31 vW  

!residue 18
assign (resid  17  and name HA    ) (resid   18 and name HN   ) 0 0 3.5 ! A73a S   
assign (resid  18  and name HA1   ) (resid   18 and name HN   ) 0 0 3.5 ! A77 S
assign (resid  18  and name HA2   ) (resid   18 and name HN   ) 0 0 3.5 ! A73 M-S
assign (resid  17  and name HB*   ) (resid   18 and name HN   ) 0 0 4.5 ! A77a M
assign (resid  15  and name HB1   ) (resid   18 and name HN   ) 0 0 6.0 ! A77c vW
assign (resid  15  and name HB2   ) (resid   18 and name HN   ) 0 0 6.0 ! A77c vW

!residue 19
assign (resid  19  and name HA    ) (resid   19 and name HN   ) 0 0 3.5 ! A111 M
assign (resid  18  and name HA1   ) (resid   19 and name HN   ) 0 0 3.5 !A113 S
assign (resid  18  and name HA2   ) (resid   19 and name HN   ) 0 0 3.5 !A114 M
assign (resid  19  and name HB*   ) (resid   19 and name HN   ) 0 0 4.5 !A115 M
assign (resid  19  and name HB2   ) (resid   19 and name HA   ) 0 0 3.5 !C33 M-S 
assign (resid  19  and name HB1   ) (resid   19 and name HA   ) 0 0 3.5 !C32 M-S
!assign (resid  20  and name HB*   ) (resid   19/26 and name HA   ) 0 0 5.0 !C35 W  

!residue 20
assign (resid  19  and name HA   ) (resid   20 and name HN   ) 0 0 3.5 ! A29 M
assign (resid  20  and name HA   ) (resid   20 and name HN   ) 0 0 3.5 ! A28 M
assign (resid  19  and name HB1  ) (resid   20 and name HN   ) 0 0 3.5 ! A31 M
assign (resid  19  and name HB2  ) (resid   20 and name HN   ) 0 0 3.5 ! A32 M
assign (resid  20  and name HB*  ) (resid   20 and name HN   ) 0 0 4.5 ! A33 M
assign (resid  10  and name HA   ) (resid   20 and name HN   ) 0 0 7.0 ! A30 vvW
assign (resid  21  and name HN   ) (resid   20 and name HN   ) 0 0 5.0 !B10 W 
assign (resid  15  and name HN   ) (resid   20 and name HN   ) 0 0 6.0 !B8  W 
assign (resid  26  and name H1   ) (resid   20 and name HN   ) 0 0 6.0 !B8  W 
assign (resid  19  and name HN   ) (resid   20 and name HN   ) 0 0 5.0 !B9  W 
assign (resid  20  and name HB*  ) (resid   20 and name HA   ) 0 0 3.7 !C23 S 
assign (resid   8  and name HB2  ) (resid   20 and name HA   ) 0 0 6.0 !C22 VW
assign (resid  26  and name HA   ) (resid   20 and name HA   ) 0 0 5.0 !C21 W      

!residue 21
assign (resid  26  and name HA   ) (resid   21 and name HN   ) 0 0 5.0 ! A154 W 
assign (resid  20  and name HA   ) (resid   21 and name HN   ) 0 0 2.7 ! A153 S
assign (resid  21  and name HA1  ) (resid   21 and name HN   ) 0 0 3.5 ! A155 M
assign (resid  21  and name HA2  ) (resid   21 and name HN   ) 0 0 3.5 ! A156 S
assign (resid  20  and name HB*  ) (resid   21 and name HN   ) 0 0 6.0 ! A157 W


! residue 22
assign (resid  21  and name HA1  ) (resid   22 and name HN   ) 0 0 3.7 ! A58 S
!assign (resid  21/22  and name HA2  ) (resid   22 and name HN   ) 0 0 2.7 ! A53 S OL
assign (resid  23  and name HA   ) (resid   22 and name HN   ) 0 0 6.0 ! A54 vW
assign (resid  22  and name HD*  ) (resid   22 and name HN   ) 0 0 6.0 ! A55 W
assign (resid  22  and name HB*  ) (resid   22 and name HN   ) 0 0 4.5 ! A56 M
assign (resid  22  and name HG*  ) (resid   22 and name HN   ) 0 0 4.5 ! A57 M
assign (resid  26  and name H1   ) (resid   22 and name HN   ) 0 0 7.0 !B21 vW 
assign (resid  23  and name HN   ) (resid   22 and name HN   ) 0 0 2.7 !B22 S 
assign (resid  24  and name HN   ) (resid   22 and name HN   ) 0 0 5.0 ! B23 W
assign (resid  21  and name HN   ) (resid   22 and name HN   ) 0 0 3.5 ! B24 M
assign (resid  22  and name HD*  ) (resid   22 and name HA   ) 0 0 7.0 ! C67 vW
assign (resid  22  and name HB*  ) (resid   22 and name HA   ) 0 0 3.7 ! C68 S 
assign (resid  22  and name HG*  ) (resid   22 and name HA   ) 0 0 6.0 ! C69 W 

!residue 23
assign (resid  23  and name HA    ) (resid   23 and name HN   ) 0 0 3.5 ! A123  M
assign (resid  21  and name HA*   ) (resid   23 and name HN   ) 0 0 5.0 ! A129  W
assign (resid  23  and name HB*   ) (resid   23 and name HN   ) 0 0 4.5 ! A125  M
assign (resid  22  and name HA    ) (resid   23 and name HN   ) 0 0 3.5 ! A124  M
assign (resid  24  and name HA*   ) (resid   23 and name HN   ) 0 0 7.0 ! A126 VW
assign (resid  22  and name HB*   ) (resid   23 and name HN   ) 0 0 4.5 ! A127  M
assign (resid  22  and name HG*   ) (resid   23 and name HN   ) 0 0 6.0 ! A128  W
assign (resid  24  and name HN    ) (resid   23 and name HN   ) 0 0 5.0 ! B36 W  
assign (resid  21  and name HN    ) (resid   23 and name HN   ) 0 0 5.0 ! B37 W  
assign (resid  25  and name HN    ) (resid   23 and name HN   ) 0 0 3.5 ! B38 M  

!residue 24
assign (resid  24  and name HA1  ) (resid   24 and name HN   ) 0 0 3.5 ! A130 M
assign (resid  24  and name HA2  ) (resid   24 and name HN   ) 0 0 3.5 ! A135 M
assign (resid  23  and name HA   ) (resid   24 and name HN   ) 0 0 3.5 ! A129 M
assign (resid  23  and name HB1  ) (resid   24 and name HN   ) 0 0 5.0 ! A131 M
assign (resid  23  and name HB2  ) (resid   24 and name HN   ) 0 0 5.0 ! A132 W
assign (resid  22  and name HB*  ) (resid   24 and name HN   ) 0 0 7.0 ! A139 vW
!assign (resid  24/4 and name H    ) (resid   24 and name HN   ) 0 0 5.0 ! A140 W
assign (resid  25  and name HN   ) (resid   24 and name HN   ) 0 0 2.7 ! B39 S  
assign (resid  21  and name HN   ) (resid   24 and name HN   ) 0 0 5.0 ! B40 W  

! residue 25
assign (resid  25  and name HA   ) (resid   25 and name HN   ) 0 0 3.5 !A194 M
assign (resid   7  and name HA   ) (resid   25 and name HN   ) 0 0 6.0 !A196 vW
assign (resid  26  and name HA   ) (resid   25 and name HN   ) 0 0 6.0 !A197 VW
assign (resid  23  and name HA   ) (resid   25 and name HN   ) 0 0 6.0 !A199 vW
assign (resid  23  and name HB1  ) (resid   25 and name HN   ) 0 0 6.0 !A201 W
assign (resid  23  and name HB2  ) (resid   25 and name HN   ) 0 0 6.0 !A202 vW
assign (resid  24  and name HA1  ) (resid   25 and name HN   ) 0 0 3.5 !A200 M
assign (resid  24  and name HA2  ) (resid   25 and name HN   ) 0 0 3.5 !A203 M 
assign (resid  25  and name HB1   ) (resid   25 and name HN   ) 0 0 3.5 !A209 M
assign (resid  25  and name HB2   ) (resid   25 and name HN   ) 0 0 5.0 !A210 W
assign (resid  25  and name HG1   ) (resid   25 and name HN   ) 0 0 5.0 !A211 W
assign (resid  25  and name HG2   ) (resid   25 and name HN   ) 0 0 5.0 !A212 W
assign (resid  7  and name HA    ) (resid   25 and name HA   ) 0 0 3.5 !C1 M  
assign (resid  7  and name HB*   ) (resid   25 and name HA   ) 0 0 7.0 !C2 vW 
assign (resid  25  and name HD*   ) (resid   25 and name HA   ) 0 0 6.0 !C3 W  
assign (resid  25  and name HB1   ) (resid   25 and name HA   ) 0 0 6.0 !C4 vW 
assign (resid  25  and name HB2   ) (resid   25 and name HA   ) 0 0 2.7 !C5 S  
assign (resid  25  and name HG1   ) (resid   25 and name HA   ) 0 0 5.0 !C6 W  
assign (resid  25  and name HG2   ) (resid   25 and name HA   ) 0 0 5.0 !C7 W  

!residue 26
assign (resid  25  and name HA   ) (resid   26 and name HN   ) 0 0 2.7 ! A68 S 
assign (resid  26  and name HA   ) (resid   26 and name HN   ) 0 0 3.5 ! A71 M
assign (resid  20  and name HA   ) (resid   26 and name HN   ) 0 0 6.0 ! A70 vW
assign (resid   5  and name HA1  ) (resid   26 and name HN   ) 0 0 7.0 ! Axx VVW
assign (resid   5  and name HA2  ) (resid   26 and name HN   ) 0 0 7.0 ! A77 VW
assign (resid   4  and name HA   ) (resid   26 and name HN   ) 0 0 5.0 ! A76  W
assign (resid  25  and name HB1  ) (resid   26 and name HN   ) 0 0 5.0 ! A78 W
assign (resid  25  and name HB2  ) (resid   26 and name HN   ) 0 0 3.5 ! A79 M
assign (resid   8  and name HB1  ) (resid   26 and name HN   ) 0 0 5.0 ! A80 W
assign (resid  25  and name HG1  ) (resid   26 and name HN   ) 0 0 5.0 ! A85 VW
assign (resid  25  and name HG2  ) (resid   26 and name HN   ) 0 0 5.0 ! A86 VW
assign (resid   6  and name HN   ) (resid   26 and name HN   ) 0 0 2.7 ! B26 S
assign (resid  8   and name HN   ) (resid   26 and name HN   ) 0 0 5.0 ! B28 W
assign (resid  26  and name HB2  ) (resid   26 and name HA   ) 0 0 5.0 !C28 W 
assign (resid  26  and name HB1  ) (resid   26 and name HA   ) 0 0 3.5 !C27 M 
assign (resid  15  and name HB1  ) (resid   26 and name HA   ) 0 0 5.0 !C29 W 
assign (resid  20  and name HB*  ) (resid   26 and name HA   ) 0 0 6.0 !C35 W  

! Terminal NH2
assign (resid   4  and name HA  ) (resid   26 and name H1    ) 0 0 7.0 !A60b vW
assign (resid   5  and name HA  ) (resid   26 and name H1    ) 0 0 6.0 !B7 W    
assign (resid  20  and name HA  ) (resid   26 and name H1    ) 0 0 6.0 !A59 W
!assign (resid  26  and name HB1 ) (resid   26 and name H1  ) 0 0     ! OL A65
assign (resid  26  and name HB2 ) (resid   26 and name H1  ) 0 0 6.0 ! A66 W


!miscellaneous
!!assign (resid  16  and name HB2 ) (resid  18/12  and name HA*/HB* ) 0 0 6.0 !C80 W
!!assign (resid  16  and name HB1 ) (resid  18/12  and name HA*/HB* ) 0 0 6.0 !C82 W
assign (resid  20  and name HB* ) (resid  12  and name HB* ) 0 0 8.0 !C81 vW
!assign (resid  1/13 and name HB1 ) (resid  2 and name HE* ) 0 0 4.5 !C85 M 
assign (resid  15  and name HB2 ) (resid  26  and name HB2 ) 0 0 5.0 !C90 W 
assign (resid   6  and name HB* ) (resid  26  and name HB2 ) 0 0 6.0 !C93 W 
assign (resid   6  and name HG* ) (resid  26  and name HB2 ) 0 0 6.0 !C94 W 
assign (resid  10  and name HN  ) (resid  22  and name HN  ) 0 0 6.0 !B16 vW
assign (resid  10  and name HA  ) (resid  20  and name HN  ) 0 0 7.0 !A30 vvW 

! Hbonds
assign (resid  25 and name  O     )(resid  21 and name  HN    ) 1.88 0.3 0.42
assign (resid  25 and name  O     )(resid  21 and name  N     ) 1.88 0.3 1.32
assign (resid  25 and name  O     )(resid  22 and name  HN    ) 1.88 0.3 0.42
assign (resid  25 and name  O     )(resid  22 and name  N     ) 1.88 0.3 1.32
assign (resid   3 and name  O     )(resid   6 and name  HN    ) 1.88 0.3 0.42
assign (resid   3 and name  O     )(resid   6 and name  N     ) 1.88 0.3 1.32
assign (resid   9 and name  O     )(resid  12 and name  HN    ) 1.88 0.3 0.42
assign (resid   9 and name  O     )(resid  12 and name  N     ) 1.88 0.3 1.32
assign (resid  15 and name  O     )(resid  18 and name  HN    ) 1.88 0.3 0.42
assign (resid  15 and name  O     )(resid  18 and name  N     ) 1.88 0.3 1.32
assign (resid   6 and name  O     )(resid  26 and name  HN    ) 1.88 0.3 0.42
assign (resid   6 and name  O     )(resid  26 and name  N     ) 1.88 0.3 1.32
assign (resid  26 and name  O     )(resid   5 and name  HN    ) 1.88 0.3 0.42
assign (resid  26 and name  O     )(resid   5 and name  N     ) 1.88 0.3 1.32
assign (resid  24 and name  O     )(resid   8 and name  HN    ) 1.88 0.3 0.42
assign (resid  24 and name  O     )(resid   8 and name  N     ) 1.88 0.3 1.32
assign (resid  14 and name  O     )(resid   2 and name  HN    ) 1.88 0.3 0.42
assign (resid  14 and name  O     )(resid   2 and name  N     ) 1.88 0.3 1.32
assign (resid   2 and name  O     )(resid  16 and name  HN    ) 1.88 0.3 0.42
assign (resid   2 and name  O     )(resid  16 and name  N     ) 1.88 0.3 1.32
assign (resid  19 and name  O     )(resid  26 and name  H1    ) 1.88 0.3 1.42
assign (resid  19 and name  O     )(resid  26 and name  H2    ) 1.88 0.3 1.42
assign (resid  19 and name  O     )(resid  26 and name  NT    ) 1.88 0.3 1.32
---------------------------------------------------------------------------
DIHED.TBL
--------------------------------------------------------------------------
restraints dihedral reset
! phi angles
!! 1   
 assign (resid   7 and name C )   (resid   8 and name N ) 
        (resid   8 and name CA)   (resid   8 and name C )   1 -120.0   40.0  2
!! 2   
 assign (resid  16 and name C )   (resid  17 and name N ) 
        (resid  17 and name CA)   (resid  17 and name C )   1 -120.0   50.0  2
!! 3   
 assign (resid  18 and name C )   (resid  19 and name N ) 
        (resid  19 and name CA)   (resid  19 and name C )   1 -120.0   50.0  2
!! 4
 assign (resid  24 and name C )   (resid  25 and name N ) 
        (resid  25 and name CA)   (resid  25 and name C )   1 -120.0   40.0  2
!! 5     
 assign (resid  3 and name C )    (resid   4 and name N )
        (resid  4 and name CA)    (resid   4 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   30.0  2
!! 7
 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
!! 8
 assign (resid 15 and name C )    (resid  16 and name N )
        (resid 16 and name CA)    (resid  16 and name C )   1 -65.0   30.0  2 
!! 9
 assign (resid 21 and name C )    (resid  22 and name N )
        (resid 22 and name CA)    (resid  22 and name C )   1 -65.0   30.0  2
!! 10
 assign (resid 25 and name C )    (resid  26 and name N )
        (resid 26 and name CA)    (resid  26 and name C )   1 -65.0   30.0  2


! chi angles
  !!	1
 assign (resid   1 and name N )   (resid   1 and name CA) 
        (resid   1 and name CB)   (resid   1 and name SG)   1  60.0   30.0  2
  !!	2
 assign (resid   3 and name N )   (resid   3 and name CA) 
        (resid   3 and name CB)   (resid   3 and name CG)   1 180.0   30.0  2
  !!	3
 assign (resid   4 and name N )   (resid   4 and name CA) 
        (resid   4 and name CB)   (resid   4 and name CG)   1 180.0   30.0  2
  !!	4
 assign (resid   7 and name N )   (resid   7 and name CA) 
        (resid   7 and name CB)   (resid   7 and name OG)   1  60.0   30.0  2
  !!	5
 assign (resid   8 and name N )   (resid   8 and name CA) 
        (resid   8 and name CB)   (resid   8 and name SG)   1  60.0   30.0  2
  !!	6
 assign (resid  13 and name N )   (resid  13 and name CA) 
        (resid  13 and name CB)   (resid  13 and name CG)   1 -60.0   30.0  2
  !!	7
 assign (resid  15 and name N )   (resid  15 and name CA) 
        (resid  15 and name CB)   (resid  15 and name SG)   1 -60.0   30.0  2
  !!	8
 assign (resid  16 and name N )   (resid  16 and name CA) 
        (resid  16 and name CB)   (resid  16 and name SG)   1 -60.0   30.0  2
  !!	9
 assign (resid  26 and name N )   (resid  26 and name CA) 
        (resid  26 and name CB)   (resid  26 and name SG)   1 -60.0   30.0  2
  !!   10
 assign (resid  23 and name N )   (resid  23 and name CA) 
        (resid  23 and name CB)   (resid  23 and name OG)   1  60.0   30.0  2
  !!   11
 assign (resid  25 and name N )   (resid  25 and name CA) 
        (resid  25 and name CB)   (resid  25 and name CG)   1 180.0   30.0  2
end 

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    CYS   1          1H        CYS   1  12.687  -0.623  -0.623
    2   2H    CYS   1          3H        CYS   1  12.083  -2.207  -2.207
    3   3H    CYS   1          2H        CYS   1  12.679  -1.423  -1.423
    4    HA   CYS   1           HA       CYS   1  10.303  -1.428  -1.428
    5   1HB   CYS   1          2HB       CYS   1   9.181   0.002   0.002
    6   2HB   CYS   1          1HB       CYS   1   9.631  -1.625  -1.625
    7    H    LYS   2           H        LYS   2   8.932   0.724   0.724
    8    HA   LYS   2           HA       LYS   2  10.702   2.702   2.702
    9   1HB   LYS   2          2HB       LYS   2   7.671   2.786   2.786
   10   2HB   LYS   2          1HB       LYS   2   8.837   3.315   3.315
   11   1HG   LYS   2          2HG       LYS   2   8.445   0.373   0.373
   12   2HG   LYS   2          1HG       LYS   2   7.614   1.184   1.184
   13   1HD   LYS   2          2HD       LYS   2   9.612   1.569   1.569
   14   2HD   LYS   2          1HD       LYS   2  10.644   1.325   1.325
   15   1HE   LYS   2          2HE       LYS   2  10.099  -1.068  -1.068
   16   2HE   LYS   2          1HE       LYS   2   8.998  -0.870  -0.870
   17   1HZ   LYS   2          3HZ       LYS   2  10.908  -0.056  -0.056
   18   2HZ   LYS   2          2HZ       LYS   2  11.924  -0.432  -0.432
   19   3HZ   LYS   2          1HZ       LYS   2  11.072  -1.667  -1.667
   20    H    LEU   3           H        LEU   3   9.351   4.997   4.997
   21    HA   LEU   3           HA       LEU   3   8.957   5.714   5.714
   22   1HB   LEU   3          2HB       LEU   3  11.261   6.237   6.237
   23   2HB   LEU   3          1HB       LEU   3  10.430   7.327   7.327
   24    HG   LEU   3           HG       LEU   3  11.602   8.256   8.256
   25   1HD1  LEU   3          3HD1      LEU   3   9.389   9.141   9.141
   26   2HD1  LEU   3          2HD1      LEU   3   8.973   9.490   9.490
   27   3HD1  LEU   3          1HD1      LEU   3  10.465  10.109  10.109
   28   1HD2  LEU   3          2HD2      LEU   3  10.471   6.525   6.525
   29   2HD2  LEU   3          1HD2      LEU   3  10.453   8.182   8.182
   30   3HD2  LEU   3          3HD2      LEU   3   9.007   7.483   7.483
   31    H    LYS   4           H        LYS   4   7.824   7.984   7.984
   32    HA   LYS   4           HA       LYS   4   5.329   7.741   7.741
   33   1HB   LYS   4          2HB       LYS   4   6.058   9.085   9.085
   34   2HB   LYS   4          1HB       LYS   4   6.483  10.360  10.360
   35   1HG   LYS   4          2HG       LYS   4   3.718   9.027   9.027
   36   2HG   LYS   4          1HG       LYS   4   4.092  10.386  10.386
   37   1HD   LYS   4          2HD       LYS   4   4.791  11.646  11.646
   38   2HD   LYS   4          1HD       LYS   4   4.006  10.340  10.340
   39   1HE   LYS   4          2HE       LYS   4   2.346  12.044  12.044
   40   2HE   LYS   4          1HE       LYS   4   1.910  10.791  10.791
   41   1HZ   LYS   4          1HZ       LYS   4   3.607  13.071  13.071
   42   2HZ   LYS   4          3HZ       LYS   4   1.912  13.182  13.182
   43   3HZ   LYS   4          2HZ       LYS   4   2.693  12.037  12.037
   44    H    GLY   5           H        GLY   5   4.688   8.241   8.241
   45   1HA   GLY   5          2HA       GLY   5   4.407   9.435   9.435
   46   2HA   GLY   5          1HA       GLY   5   5.831  10.350  10.350
   47    H    GLN   6           H        GLN   6   6.362   6.973   6.973
   48    HA   GLN   6           HA       GLN   6   7.893   7.003   7.003
   49   1HB   GLN   6          2HB       GLN   6   8.086   5.532   5.532
   50   2HB   GLN   6          1HB       GLN   6   8.116   4.429   4.429
   51   1HG   GLN   6          2HG       GLN   6   9.935   5.761   5.761
   52   2HG   GLN   6          1HG       GLN   6   9.921   6.862   6.862
   53   1HE2  GLN   6          2HE2      GLN   6  11.750   4.684   4.684
   54   2HE2  GLN   6          1HE2      GLN   6  10.877   6.135   6.135
   55    H    SER   7           H        SER   7   7.292   5.980   5.980
   56    HA   SER   7           HA       SER   7   4.688   5.263   5.263
   57   1HB   SER   7          2HB       SER   7   5.702   4.107   4.107
   58   2HB   SER   7          1HB       SER   7   6.245   5.773   5.773
   59    HG   SER   7           HG       SER   7   7.552   3.365   3.365
   60    H    CYS   8           H        CYS   8   3.455   3.702   3.702
   61    HA   CYS   8           HA       CYS   8   4.276   0.898   0.898
   62   1HB   CYS   8          2HB       CYS   8   3.731   0.450   0.450
   63   2HB   CYS   8          1HB       CYS   8   5.161   1.385   1.385
   64    H    ARG   9           H        ARG   9   2.649  -0.545  -0.545
   65    HA   ARG   9           HA       ARG   9   0.095   0.224   0.224
   66   1HB   ARG   9          2HB       ARG   9   1.525  -2.204  -2.204
   67   2HB   ARG   9          1HB       ARG   9   0.057  -2.426  -2.426
   68   1HG   ARG   9          2HG       ARG   9  -1.269  -1.656  -1.656
   69   2HG   ARG   9          1HG       ARG   9   0.227  -1.617  -1.617
   70   1HD   ARG   9          2HD       ARG   9   0.573  -4.021  -4.021
   71   2HD   ARG   9          1HD       ARG   9  -0.827  -4.115  -4.115
   72    HE   ARG   9           HE       ARG   9  -0.857  -3.991  -3.991
   73   1HH1  ARG   9          1HH2      ARG   9  -2.634  -3.376  -3.376
   74   2HH1  ARG   9          2HH2      ARG   9  -4.175  -3.498  -3.498
   75   1HH2  ARG   9          2HH1      ARG   9  -2.793  -4.141  -4.141
   76   2HH2  ARG   9          1HH1      ARG   9  -4.265  -3.935  -3.935
   77    H    LYS  10           H        LYS  10  -1.729   0.698   0.698
   78    HA   LYS  10           HA       LYS  10  -2.118   1.634   1.634
   79   1HB   LYS  10          2HB       LYS  10  -4.588   1.368   1.368
   80   2HB   LYS  10          1HB       LYS  10  -3.676   2.157   2.157
   81   1HG   LYS  10          2HG       LYS  10  -3.819   0.376   0.376
   82   2HG   LYS  10          1HG       LYS  10  -4.006  -0.833  -0.833
   83   1HD   LYS  10          2HD       LYS  10  -6.160   1.265   1.265
   84   2HD   LYS  10          1HD       LYS  10  -6.094  -0.137  -0.137
   85   1HE   LYS  10          2HE       LYS  10  -6.018  -0.511  -0.511
   86   2HE   LYS  10          1HE       LYS  10  -7.548  -0.290  -0.290
   87   1HZ   LYS  10          1HZ       LYS  10  -5.551  -2.321  -2.321
   88   2HZ   LYS  10          3HZ       LYS  10  -6.825  -2.627  -2.627
   89   3HZ   LYS  10          2HZ       LYS  10  -7.163  -2.183  -2.183
   90    H    THR  11           H        THR  11  -2.471  -1.677  -1.677
   91    HA   THR  11           HA       THR  11  -3.348  -2.471  -2.471
   92    HB   THR  11           HB       THR  11  -4.913  -3.085  -3.085
   93    HG1  THR  11           HG1      THR  11  -3.570  -5.408  -5.408
   94   1HG2  THR  11          3HG2      THR  11  -2.881  -3.464  -3.464
   95   2HG2  THR  11          2HG2      THR  11  -2.821  -5.071  -5.071
   96   3HG2  THR  11          1HG2      THR  11  -4.278  -4.518  -4.518
   97    H    SER  12           H        SER  12  -0.675  -1.794  -1.794
   98    HA   SER  12           HA       SER  12   0.698  -4.430  -4.430
   99   1HB   SER  12          2HB       SER  12   1.317  -3.401  -3.401
  100   2HB   SER  12          1HB       SER  12   1.893  -1.954  -1.954
  101    HG   SER  12           HG       SER  12   3.651  -3.085  -3.085
  102    H    TYR  13           H        TYR  13   0.746  -0.992  -0.992
  103    HA   TYR  13           HA       TYR  13   1.670   0.245   0.245
  104   1HB   TYR  13          2HB       TYR  13   0.906  -2.306  -2.306
  105   2HB   TYR  13          1HB       TYR  13   1.168  -0.735  -0.735
  106    HD1  TYR  13           HD2      TYR  13  -0.300   1.225   1.225
  107    HD2  TYR  13           HD1      TYR  13  -1.223  -2.839  -2.839
  108    HE1  TYR  13           HE2      TYR  13  -2.610   1.857   1.857
  109    HE2  TYR  13           HE1      TYR  13  -3.534  -2.206  -2.206
  110    HH   TYR  13           HH       TYR  13  -4.607   1.172   1.172
  111    H    ASP  14           H        ASP  14   3.451  -1.176  -1.176
  112    HA   ASP  14           HA       ASP  14   5.455  -2.645  -2.645
  113   1HB   ASP  14          2HB       ASP  14   4.992  -2.030  -2.030
  114   2HB   ASP  14          1HB       ASP  14   6.224  -0.828  -0.828
  115    H    CYS  15           H        CYS  15   4.664   0.588   0.588
  116    HA   CYS  15           HA       CYS  15   7.253   1.714   1.714
  117   1HB   CYS  15          2HB       CYS  15   4.760   2.904   2.904
  118   2HB   CYS  15          1HB       CYS  15   6.078   3.662   3.662
  119    H    CYS  16           H        CYS  16   8.096   2.254   2.254
  120    HA   CYS  16           HA       CYS  16   8.355   0.362   0.362
  121   1HB   CYS  16          2HB       CYS  16   8.772   3.204   3.204
  122   2HB   CYS  16          1HB       CYS  16   9.165   2.483   2.483
  123    H    SER  17           H        SER  17   6.754   3.354   3.354
  124    HA   SER  17           HA       SER  17   5.316   2.852   2.852
  125   1HB   SER  17          2HB       SER  17   4.204   5.082   5.082
  126   2HB   SER  17          1HB       SER  17   5.968   5.164   5.164
  127    HG   SER  17           HG       SER  17   4.201   4.577   4.577
  128    H    GLY  18           H        GLY  18   4.646   2.179   2.179
  129   1HA   GLY  18          2HA       GLY  18   2.859   0.951   0.951
  130   2HA   GLY  18          1HA       GLY  18   2.092   0.886   0.886
  131    H    SER  19           H        SER  19   1.762   2.233   2.233
  132    HA   SER  19           HA       SER  19  -0.249   4.126   4.126
  133   1HB   SER  19          2HB       SER  19   0.889   6.149   6.149
  134   2HB   SER  19          1HB       SER  19   1.860   5.350   5.350
  135    HG   SER  19           HG       SER  19   2.965   4.229   4.229
  136    H    CYS  20           H        CYS  20   1.613   3.125   3.125
  137    HA   CYS  20           HA       CYS  20   0.813   3.841   3.841
  138   1HB   CYS  20          2HB       CYS  20   0.355   0.935   0.935
  139   2HB   CYS  20          1HB       CYS  20   0.725   1.638   1.638
  140    H    GLY  21           H        GLY  21  -0.784   4.544   4.544
  141   1HA   GLY  21          2HA       GLY  21  -3.069   3.687   3.687
  142   2HA   GLY  21          1HA       GLY  21  -3.602   3.910   3.910
  143    H    ARG  22           H        ARG  22  -1.135   5.871   5.871
  144    HA   ARG  22           HA       ARG  22  -2.783   8.323   8.323
  145   1HB   ARG  22          2HB       ARG  22  -0.420   7.794   7.794
  146   2HB   ARG  22          1HB       ARG  22   0.214   8.260   8.260
  147   1HG   ARG  22          2HG       ARG  22  -0.645  10.478  10.478
  148   2HG   ARG  22          1HG       ARG  22  -1.740  10.046  10.046
  149   1HD   ARG  22          2HD       ARG  22   0.023   9.909   9.909
  150   2HD   ARG  22          1HD       ARG  22   1.256   9.717   9.717
  151    HE   ARG  22           HE       ARG  22   1.321  12.039  12.039
  152   1HH1  ARG  22          1HH2      ARG  22  -1.408  11.122  11.122
  153   2HH1  ARG  22          2HH2      ARG  22  -1.774  12.752  12.752
  154   1HH2  ARG  22          2HH1      ARG  22   0.873  14.102  14.102
  155   2HH2  ARG  22          1HH1      ARG  22  -0.465  14.466  14.466
  156    H    SER  23           H        SER  23  -3.043   6.444   6.444
  157    HA   SER  23           HA       SER  23  -3.583   6.386   6.386
  158   1HB   SER  23          2HB       SER  23  -3.613   8.416   8.416
  159   2HB   SER  23          1HB       SER  23  -3.578   9.079   9.079
  160    HG   SER  23           HG       SER  23  -1.905  10.060  10.060
  161    H    GLY  24           H        GLY  24  -1.407   5.150   5.150
  162   1HA   GLY  24          2HA       GLY  24   0.133   3.635   3.635
  163   2HA   GLY  24          1HA       GLY  24   0.365   4.780   4.780
  164    H    LYS  25           H        LYS  25   0.369   5.691   5.691
  165    HA   LYS  25           HA       LYS  25   3.308   5.826   5.826
  166   1HB   LYS  25          2HB       LYS  25   3.234   8.001   8.001
  167   2HB   LYS  25          1HB       LYS  25   1.496   8.185   8.185
  168   1HG   LYS  25          2HG       LYS  25   2.302   8.436   8.436
  169   2HG   LYS  25          1HG       LYS  25   3.895   8.383   8.383
  170   1HD   LYS  25          2HD       LYS  25   1.833  10.347  10.347
  171   2HD   LYS  25          1HD       LYS  25   2.657  10.728  10.728
  172   1HE   LYS  25          2HE       LYS  25   4.705  11.064  11.064
  173   2HE   LYS  25          1HE       LYS  25   4.414   9.876   9.876
  174   1HZ   LYS  25          3HZ       LYS  25   3.093  12.517  12.517
  175   2HZ   LYS  25          2HZ       LYS  25   4.410  12.140  12.140
  176   3HZ   LYS  25          1HZ       LYS  25   2.912  11.379  11.379
  177    H    CYS  26           H        CYS  26   4.016   6.202   6.202
  178    HA   CYS  26           HA       CYS  26   2.513   4.759   4.759
  179   1HB   CYS  26          2HB       CYS  26   4.927   6.542   6.542
  180   2HB   CYS  26          1HB       CYS  26   4.291   5.807   5.807
  181   1HN   NH2  27          1HT       CYS  26   0.502   5.557   5.557
  182   2HN   NH2  27          2HT       CYS  26   0.230   7.102   7.102

  Start of MODEL    2
    1   1H    CYS   1          1H        CYS   1  12.277  -0.378  -0.378
    2   2H    CYS   1          3H        CYS   1  11.723  -1.985  -1.985
    3   3H    CYS   1          2H        CYS   1  12.208  -1.247  -1.247
    4    HA   CYS   1           HA       CYS   1   9.840  -1.314  -1.314
    5   1HB   CYS   1          2HB       CYS   1   8.769   0.119   0.119
    6   2HB   CYS   1          1HB       CYS   1   9.292  -1.488  -1.488
    7    H    LYS   2           H        LYS   2   8.396   0.870   0.870
    8    HA   LYS   2           HA       LYS   2  10.075   2.818   2.818
    9   1HB   LYS   2          2HB       LYS   2   7.042   2.767   2.767
   10   2HB   LYS   2          1HB       LYS   2   8.107   3.389   3.389
   11   1HG   LYS   2          2HG       LYS   2   7.963   0.423   0.423
   12   2HG   LYS   2          1HG       LYS   2   7.003   1.191   1.191
   13   1HD   LYS   2          2HD       LYS   2   9.287   2.071   2.071
   14   2HD   LYS   2          1HD       LYS   2  10.032   0.902   0.902
   15   1HE   LYS   2          2HE       LYS   2   7.811  -0.129  -0.129
   16   2HE   LYS   2          1HE       LYS   2   9.321   0.287   0.287
   17   1HZ   LYS   2          3HZ       LYS   2   9.553  -1.250  -1.250
   18   2HZ   LYS   2          2HZ       LYS   2   8.852  -2.051  -2.051
   19   3HZ   LYS   2          1HZ       LYS   2  10.409  -1.385  -1.385
   20    H    LEU   3           H        LEU   3  10.270   4.917   4.917
   21    HA   LEU   3           HA       LEU   3   9.645   5.721   5.721
   22   1HB   LEU   3          2HB       LEU   3  11.644   6.268   6.268
   23   2HB   LEU   3          1HB       LEU   3  10.604   7.421   7.421
   24    HG   LEU   3           HG       LEU   3  10.447   7.795   7.795
   25   1HD1  LEU   3          3HD1      LEU   3  13.253   7.888   7.888
   26   2HD1  LEU   3          2HD1      LEU   3  12.785   8.496   8.496
   27   3HD1  LEU   3          1HD1      LEU   3  12.693   6.778   6.778
   28   1HD2  LEU   3          1HD2      LEU   3   9.921   9.434   9.434
   29   2HD2  LEU   3          3HD2      LEU   3  11.048  10.077  10.077
   30   3HD2  LEU   3          2HD2      LEU   3  11.632   9.512   9.512
   31    H    LYS   4           H        LYS   4   8.792   8.242   8.242
   32    HA   LYS   4           HA       LYS   4   5.983   8.036   8.036
   33   1HB   LYS   4          2HB       LYS   4   7.247   9.441   9.441
   34   2HB   LYS   4          1HB       LYS   4   7.495  10.629  10.629
   35   1HG   LYS   4          2HG       LYS   4   4.689   9.556   9.556
   36   2HG   LYS   4          1HG       LYS   4   5.317  10.631  10.631
   37   1HD   LYS   4          2HD       LYS   4   5.677  11.532  11.532
   38   2HD   LYS   4          1HD       LYS   4   4.035  11.505  11.505
   39   1HE   LYS   4          2HE       LYS   4   6.296  12.846  12.846
   40   2HE   LYS   4          1HE       LYS   4   5.315  13.701  13.701
   41   1HZ   LYS   4          1HZ       LYS   4   4.084  12.194  12.194
   42   2HZ   LYS   4          3HZ       LYS   4   4.607  13.798  13.798
   43   3HZ   LYS   4          2HZ       LYS   4   3.409  13.426  13.426
   44    H    GLY   5           H        GLY   5   4.872   8.589   8.589
   45   1HA   GLY   5          2HA       GLY   5   4.187   9.251   9.251
   46   2HA   GLY   5          1HA       GLY   5   5.301  10.602  10.602
   47    H    GLN   6           H        GLN   6   6.388   7.338   7.338
   48    HA   GLN   6           HA       GLN   6   8.053   7.606   7.606
   49   1HB   GLN   6          2HB       GLN   6   9.026   6.870   6.870
   50   2HB   GLN   6          1HB       GLN   6   7.994   5.457   5.457
   51   1HG   GLN   6          2HG       GLN   6  10.289   4.915   4.915
   52   2HG   GLN   6          1HG       GLN   6   9.143   4.664   4.664
   53   1HE2  GLN   6          2HE2      GLN   6  11.720   7.872   7.872
   54   2HE2  GLN   6          1HE2      GLN   6  11.291   7.230   7.230
   55    H    SER   7           H        SER   7   8.207   5.797   5.797
   56    HA   SER   7           HA       SER   7   5.709   5.021   5.021
   57   1HB   SER   7          2HB       SER   7   7.130   3.477   3.477
   58   2HB   SER   7          1HB       SER   7   7.677   5.161   5.161
   59    HG   SER   7           HG       SER   7   9.075   4.586   4.586
   60    H    CYS   8           H        CYS   8   4.386   3.716   3.716
   61    HA   CYS   8           HA       CYS   8   5.150   1.014   1.014
   62   1HB   CYS   8          2HB       CYS   8   3.794   1.290   1.290
   63   2HB   CYS   8          1HB       CYS   8   4.980   2.569   2.569
   64    H    ARG   9           H        ARG   9   2.686   0.194   0.194
   65    HA   ARG   9           HA       ARG   9   0.794   0.733   0.733
   66   1HB   ARG   9          2HB       ARG   9   2.015  -1.946  -1.946
   67   2HB   ARG   9          1HB       ARG   9   0.451  -1.864  -1.864
   68   1HG   ARG   9          2HG       ARG   9   1.395  -0.735  -0.735
   69   2HG   ARG   9          1HG       ARG   9   2.946  -0.536  -0.536
   70   1HD   ARG   9          2HD       ARG   9   1.717  -3.255  -3.255
   71   2HD   ARG   9          1HD       ARG   9   2.929  -2.463  -2.463
   72    HE   ARG   9           HE       ARG   9   3.909  -2.500  -2.500
   73   1HH1  ARG   9          2HH1      ARG   9   3.105  -4.684  -4.684
   74   2HH1  ARG   9          1HH1      ARG   9   4.265  -5.871  -5.871
   75   1HH2  ARG   9          1HH2      ARG   9   5.380  -3.980  -3.980
   76   2HH2  ARG   9          2HH2      ARG   9   5.575  -5.468  -5.468
   77    H    LYS  10           H        LYS  10  -1.262   0.787   0.787
   78    HA   LYS  10           HA       LYS  10  -1.903   0.730   0.730
   79   1HB   LYS  10          2HB       LYS  10  -4.327   0.833   0.833
   80   2HB   LYS  10          1HB       LYS  10  -3.276   2.152   2.152
   81   1HG   LYS  10          2HG       LYS  10  -3.202  -0.145  -0.145
   82   2HG   LYS  10          1HG       LYS  10  -4.768   0.620   0.620
   83   1HD   LYS  10          2HD       LYS  10  -3.949   2.742   2.742
   84   2HD   LYS  10          1HD       LYS  10  -2.275   2.311   2.311
   85   1HE   LYS  10          2HE       LYS  10  -2.316   0.716   0.716
   86   2HE   LYS  10          1HE       LYS  10  -4.020   1.060   1.060
   87   1HZ   LYS  10          3HZ       LYS  10  -3.335   3.428   3.428
   88   2HZ   LYS  10          2HZ       LYS  10  -1.724   2.890   2.890
   89   3HZ   LYS  10          1HZ       LYS  10  -2.817   2.348   2.348
   90    H    THR  11           H        THR  11  -3.222  -0.832  -0.832
   91    HA   THR  11           HA       THR  11  -4.037  -2.961  -2.961
   92    HB   THR  11           HB       THR  11  -3.638  -3.827  -3.827
   93    HG1  THR  11           HG1      THR  11  -4.713  -1.904  -1.904
   94   1HG2  THR  11          2HG2      THR  11  -5.756  -4.373  -4.373
   95   2HG2  THR  11          1HG2      THR  11  -5.761  -4.995  -4.995
   96   3HG2  THR  11          3HG2      THR  11  -4.519  -5.518  -5.518
   97    H    SER  12           H        SER  12  -1.024  -2.380  -2.380
   98    HA   SER  12           HA       SER  12   0.095  -5.026  -5.026
   99   1HB   SER  12          2HB       SER  12   0.564  -4.020  -4.020
  100   2HB   SER  12          1HB       SER  12   1.505  -2.766  -2.766
  101    HG   SER  12           HG       SER  12   2.767  -4.342  -4.342
  102    H    TYR  13           H        TYR  13   0.147  -1.638  -1.638
  103    HA   TYR  13           HA       TYR  13   1.184  -0.351  -0.351
  104   1HB   TYR  13          2HB       TYR  13   0.791  -3.034  -3.034
  105   2HB   TYR  13          1HB       TYR  13   1.336  -1.590  -1.590
  106    HD1  TYR  13           HD2      TYR  13  -1.459  -2.956  -2.956
  107    HD2  TYR  13           HD1      TYR  13  -0.186   0.141   0.141
  108    HE1  TYR  13           HE2      TYR  13  -3.763  -2.140  -2.140
  109    HE2  TYR  13           HE1      TYR  13  -2.489   0.958   0.958
  110    HH   TYR  13           HH       TYR  13  -5.136  -0.659  -0.659
  111    H    ASP  14           H        ASP  14   2.869  -1.248  -1.248
  112    HA   ASP  14           HA       ASP  14   5.207  -2.606  -2.606
  113   1HB   ASP  14          2HB       ASP  14   4.323  -1.587  -1.587
  114   2HB   ASP  14          1HB       ASP  14   5.422  -0.289  -0.289
  115    H    CYS  15           H        CYS  15   4.164   0.587   0.587
  116    HA   CYS  15           HA       CYS  15   6.714   1.726   1.726
  117   1HB   CYS  15          2HB       CYS  15   4.245   2.699   2.699
  118   2HB   CYS  15          1HB       CYS  15   5.562   3.581   3.581
  119    H    CYS  16           H        CYS  16   7.528   2.282   2.282
  120    HA   CYS  16           HA       CYS  16   7.954   0.350   0.350
  121   1HB   CYS  16          2HB       CYS  16   8.241   3.223   3.223
  122   2HB   CYS  16          1HB       CYS  16   8.826   2.439   2.439
  123    H    SER  17           H        SER  17   6.362   3.353   3.353
  124    HA   SER  17           HA       SER  17   4.923   2.752   2.752
  125   1HB   SER  17          2HB       SER  17   5.749   5.085   5.085
  126   2HB   SER  17          1HB       SER  17   4.438   5.124   5.124
  127    HG   SER  17           HG       SER  17   2.968   4.953   4.953
  128    H    GLY  18           H        GLY  18   4.354   1.924   1.924
  129   1HA   GLY  18          2HA       GLY  18   2.522   0.931   0.931
  130   2HA   GLY  18          1HA       GLY  18   1.747   0.825   0.825
  131    H    SER  19           H        SER  19   2.932   3.756   3.756
  132    HA   SER  19           HA       SER  19   0.459   5.183   5.183
  133   1HB   SER  19          2HB       SER  19   3.256   5.774   5.774
  134   2HB   SER  19          1HB       SER  19   2.208   6.692   6.692
  135    HG   SER  19           HG       SER  19   1.713   7.858   7.858
  136    H    CYS  20           H        CYS  20   1.650   3.291   3.291
  137    HA   CYS  20           HA       CYS  20   0.808   4.394   4.394
  138   1HB   CYS  20          2HB       CYS  20   1.757   1.986   1.986
  139   2HB   CYS  20          1HB       CYS  20   0.089   1.541   1.541
  140    H    GLY  21           H        GLY  21  -0.852   4.695   4.695
  141   1HA   GLY  21          2HA       GLY  21  -3.328   3.708   3.708
  142   2HA   GLY  21          1HA       GLY  21  -3.537   4.602   4.602
  143    H    ARG  22           H        ARG  22  -1.235   6.019   6.019
  144    HA   ARG  22           HA       ARG  22  -3.081   8.200   8.200
  145   1HB   ARG  22          2HB       ARG  22  -0.618   8.256   8.256
  146   2HB   ARG  22          1HB       ARG  22  -0.129   8.372   8.372
  147   1HG   ARG  22          2HG       ARG  22  -0.545  10.593  10.593
  148   2HG   ARG  22          1HG       ARG  22  -2.244  10.200  10.200
  149   1HD   ARG  22          2HD       ARG  22  -2.488  10.444  10.444
  150   2HD   ARG  22          1HD       ARG  22  -0.787  10.113  10.113
  151    HE   ARG  22           HE       ARG  22  -1.014  12.492  12.492
  152   1HH1  ARG  22          1HH2      ARG  22  -1.562  11.247  11.247
  153   2HH1  ARG  22          2HH2      ARG  22  -1.317  12.780  12.780
  154   1HH2  ARG  22          2HH1      ARG  22  -0.707  14.443  14.443
  155   2HH2  ARG  22          1HH1      ARG  22  -0.829  14.621  14.621
  156    H    SER  23           H        SER  23  -3.006   5.662   5.662
  157    HA   SER  23           HA       SER  23  -3.416   4.776   4.776
  158   1HB   SER  23          2HB       SER  23  -3.987   6.241   6.241
  159   2HB   SER  23          1HB       SER  23  -4.131   7.343   7.343
  160    HG   SER  23           HG       SER  23  -2.498   8.407   8.407
  161    H    GLY  24           H        GLY  24  -0.783   4.849   4.849
  162   1HA   GLY  24          2HA       GLY  24   0.897   3.290   3.290
  163   2HA   GLY  24          1HA       GLY  24   1.006   4.519   4.519
  164    H    LYS  25           H        LYS  25   0.515   5.954   5.954
  165    HA   LYS  25           HA       LYS  25   3.433   6.274   6.274
  166   1HB   LYS  25          2HB       LYS  25   3.163   8.298   8.298
  167   2HB   LYS  25          1HB       LYS  25   1.419   8.337   8.337
  168   1HG   LYS  25          2HG       LYS  25   2.042   8.920   8.920
  169   2HG   LYS  25          1HG       LYS  25   3.657   9.121   9.121
  170   1HD   LYS  25          2HD       LYS  25   3.094  10.985  10.985
  171   2HD   LYS  25          1HD       LYS  25   1.401  10.557  10.557
  172   1HE   LYS  25          2HE       LYS  25   1.494  12.417  12.417
  173   2HE   LYS  25          1HE       LYS  25   1.254  11.008  11.008
  174   1HZ   LYS  25          2HZ       LYS  25   4.014  11.619  11.619
  175   2HZ   LYS  25          1HZ       LYS  25   3.182  12.825  12.825
  176   3HZ   LYS  25          3HZ       LYS  25   3.234  11.236  11.236
  177    H    CYS  26           H        CYS  26   3.945   6.867   6.867
  178    HA   CYS  26           HA       CYS  26   2.185   5.620   5.620
  179   1HB   CYS  26          2HB       CYS  26   4.911   6.867   6.867
  180   2HB   CYS  26          1HB       CYS  26   4.146   5.967   5.967
  181   1HN   NH2  27          1HT       CYS  26   0.413   7.215   7.215
  182   2HN   NH2  27          2HT       CYS  26   0.516   8.664   8.664

  Start of MODEL    3
    1   1H    CYS   1          3H        CYS   1  12.364  -0.464  -0.464
    2   2H    CYS   1          2H        CYS   1  11.682  -1.985  -1.985
    3   3H    CYS   1          1H        CYS   1  12.230  -1.619  -1.619
    4    HA   CYS   1           HA       CYS   1   9.882  -1.473  -1.473
    5   1HB   CYS   1          2HB       CYS   1   8.833   0.278   0.278
    6   2HB   CYS   1          1HB       CYS   1   9.322  -1.225  -1.225
    7    H    LYS   2           H        LYS   2   8.595   0.746   0.746
    8    HA   LYS   2           HA       LYS   2  10.428   2.362   2.362
    9   1HB   LYS   2          2HB       LYS   2   7.394   2.126   2.126
   10   2HB   LYS   2          1HB       LYS   2   8.385   3.002   3.002
   11   1HG   LYS   2          2HG       LYS   2   9.068   0.097   0.097
   12   2HG   LYS   2          1HG       LYS   2   7.566   0.457   0.457
   13   1HD   LYS   2          2HD       LYS   2   8.965   2.030   2.030
   14   2HD   LYS   2          1HD       LYS   2  10.375   1.241   1.241
   15   1HE   LYS   2          2HE       LYS   2   8.085  -0.275  -0.275
   16   2HE   LYS   2          1HE       LYS   2   9.559   0.194   0.194
   17   1HZ   LYS   2          2HZ       LYS   2   9.633  -1.356  -1.356
   18   2HZ   LYS   2          1HZ       LYS   2   9.463  -2.108  -2.108
   19   3HZ   LYS   2          3HZ       LYS   2  10.846  -1.179  -1.179
   20    H    LEU   3           H        LEU   3  10.392   4.600   4.600
   21    HA   LEU   3           HA       LEU   3   9.874   5.818   5.818
   22   1HB   LEU   3          2HB       LEU   3  11.694   6.359   6.359
   23   2HB   LEU   3          1HB       LEU   3  10.494   7.049   7.049
   24    HG   LEU   3           HG       LEU   3  10.202   8.221   8.221
   25   1HD1  LEU   3          1HD1      LEU   3  12.981   8.402   8.402
   26   2HD1  LEU   3          3HD1      LEU   3  12.387   9.376   9.376
   27   3HD1  LEU   3          2HD1      LEU   3  12.572   7.641   7.641
   28   1HD2  LEU   3          3HD2      LEU   3   9.570   9.071   9.071
   29   2HD2  LEU   3          2HD2      LEU   3  10.232  10.248  10.248
   30   3HD2  LEU   3          1HD2      LEU   3  11.248   9.556   9.556
   31    H    LYS   4           H        LYS   4   8.465   7.735   7.735
   32    HA   LYS   4           HA       LYS   4   5.770   7.197   7.197
   33   1HB   LYS   4          2HB       LYS   4   6.504   8.400   8.400
   34   2HB   LYS   4          1HB       LYS   4   6.851   9.808   9.808
   35   1HG   LYS   4          2HG       LYS   4   4.631  10.092  10.092
   36   2HG   LYS   4          1HG       LYS   4   4.444   9.778   9.778
   37   1HD   LYS   4          2HD       LYS   4   3.164   7.945   7.945
   38   2HD   LYS   4          1HD       LYS   4   4.430   7.216   7.216
   39   1HE   LYS   4          2HE       LYS   4   2.455   7.462   7.462
   40   2HE   LYS   4          1HE       LYS   4   3.665   8.599   8.599
   41   1HZ   LYS   4          1HZ       LYS   4   1.544   9.325   9.325
   42   2HZ   LYS   4          3HZ       LYS   4   1.377   9.498   9.498
   43   3HZ   LYS   4          2HZ       LYS   4   2.577  10.370  10.370
   44    H    GLY   5           H        GLY   5   4.701   7.862   7.862
   45   1HA   GLY   5          2HA       GLY   5   4.061   9.089   9.089
   46   2HA   GLY   5          1HA       GLY   5   5.319  10.253  10.253
   47    H    GLN   6           H        GLN   6   6.272   6.964   6.964
   48    HA   GLN   6           HA       GLN   6   7.855   7.369   7.369
   49   1HB   GLN   6          2HB       GLN   6   8.774   6.343   6.343
   50   2HB   GLN   6          1HB       GLN   6   7.747   4.949   4.949
   51   1HG   GLN   6          2HG       GLN   6   9.000   4.264   4.264
   52   2HG   GLN   6          1HG       GLN   6   9.612   5.880   5.880
   53   1HE2  GLN   6          2HE2      GLN   6  12.277   5.643   5.643
   54   2HE2  GLN   6          1HE2      GLN   6  11.285   6.733   6.733
   55    H    SER   7           H        SER   7   7.464   6.349   6.349
   56    HA   SER   7           HA       SER   7   4.947   5.600   5.600
   57   1HB   SER   7          2HB       SER   7   6.110   4.555   4.555
   58   2HB   SER   7          1HB       SER   7   6.669   6.195   6.195
   59    HG   SER   7           HG       SER   7   8.292   4.400   4.400
   60    H    CYS   8           H        CYS   8   3.692   4.060   4.060
   61    HA   CYS   8           HA       CYS   8   4.432   1.233   1.233
   62   1HB   CYS   8          2HB       CYS   8   3.752   0.667   0.667
   63   2HB   CYS   8          1HB       CYS   8   5.215   1.570   1.570
   64    H    ARG   9           H        ARG   9   2.756  -0.147  -0.147
   65    HA   ARG   9           HA       ARG   9   0.256   0.820   0.820
   66   1HB   ARG   9          2HB       ARG   9   1.397  -1.863  -1.863
   67   2HB   ARG   9          1HB       ARG   9  -0.348  -1.760  -1.760
   68   1HG   ARG   9          2HG       ARG   9   0.317  -2.390  -2.390
   69   2HG   ARG   9          1HG       ARG   9  -0.001  -0.677  -0.677
   70   1HD   ARG   9          2HD       ARG   9   2.715  -0.674  -0.674
   71   2HD   ARG   9          1HD       ARG   9   2.567  -2.163  -2.163
   72    HE   ARG   9           HE       ARG   9   2.075  -0.920  -0.920
   73   1HH1  ARG   9          2HH1      ARG   9   2.046   1.101   1.101
   74   2HH1  ARG   9          1HH1      ARG   9   1.992   2.569   2.569
   75   1HH2  ARG   9          1HH2      ARG   9   2.004   0.920   0.920
   76   2HH2  ARG   9          2HH2      ARG   9   1.964   2.465   2.465
   77    H    LYS  10           H        LYS  10  -1.678   1.114   1.114
   78    HA   LYS  10           HA       LYS  10  -1.989   2.069   2.069
   79   1HB   LYS  10          2HB       LYS  10  -4.463   1.370   1.370
   80   2HB   LYS  10          1HB       LYS  10  -3.787   2.412   2.412
   81   1HG   LYS  10          2HG       LYS  10  -3.842   0.778   0.778
   82   2HG   LYS  10          1HG       LYS  10  -3.525  -0.531  -0.531
   83   1HD   LYS  10          2HD       LYS  10  -5.779  -0.810  -0.810
   84   2HD   LYS  10          1HD       LYS  10  -5.875  -0.266  -0.266
   85   1HE   LYS  10          2HE       LYS  10  -6.319   2.059   2.059
   86   2HE   LYS  10          1HE       LYS  10  -6.138   1.547   1.547
   87   1HZ   LYS  10          2HZ       LYS  10  -8.118   0.319   0.319
   88   2HZ   LYS  10          1HZ       LYS  10  -8.461   1.712   1.712
   89   3HZ   LYS  10          3HZ       LYS  10  -8.056   0.263   0.263
   90    H    THR  11           H        THR  11  -2.355   1.411   1.411
   91    HA   THR  11           HA       THR  11  -2.087   0.087   0.087
   92    HB   THR  11           HB       THR  11  -4.558   0.080   0.080
   93    HG1  THR  11           HG1      THR  11  -4.894  -1.794  -1.794
   94   1HG2  THR  11          1HG2      THR  11  -3.886  -2.599  -2.599
   95   2HG2  THR  11          3HG2      THR  11  -5.480  -2.216  -2.216
   96   3HG2  THR  11          2HG2      THR  11  -4.794  -1.262  -1.262
   97    H    SER  12           H        SER  12  -0.247  -0.785  -0.785
   98    HA   SER  12           HA       SER  12  -0.168  -3.686  -3.686
   99   1HB   SER  12          2HB       SER  12   1.724  -1.519  -1.519
  100   2HB   SER  12          1HB       SER  12   2.096  -3.239  -3.239
  101    HG   SER  12           HG       SER  12   0.912  -2.998  -2.998
  102    H    TYR  13           H        TYR  13   0.444  -1.537  -1.537
  103    HA   TYR  13           HA       TYR  13   1.636  -1.518  -1.518
  104   1HB   TYR  13          2HB       TYR  13   1.745  -4.509  -4.509
  105   2HB   TYR  13          1HB       TYR  13   1.948  -3.764  -3.764
  106    HD1  TYR  13           HD1      TYR  13  -0.042  -2.251  -2.251
  107    HD2  TYR  13           HD2      TYR  13  -0.409  -5.120  -5.120
  108    HE1  TYR  13           HE1      TYR  13  -2.471  -2.268  -2.268
  109    HE2  TYR  13           HE2      TYR  13  -2.835  -5.134  -5.134
  110    HH   TYR  13           HH       TYR  13  -4.565  -4.284  -4.284
  111    H    ASP  14           H        ASP  14   3.082  -1.506  -1.506
  112    HA   ASP  14           HA       ASP  14   5.686  -2.673  -2.673
  113   1HB   ASP  14          2HB       ASP  14   4.338  -1.616  -1.616
  114   2HB   ASP  14          1HB       ASP  14   5.603  -0.464  -0.464
  115    H    CYS  15           H        CYS  15   4.222   0.111   0.111
  116    HA   CYS  15           HA       CYS  15   6.745   1.611   1.611
  117   1HB   CYS  15          2HB       CYS  15   4.208   2.661   2.661
  118   2HB   CYS  15          1HB       CYS  15   5.524   3.464   3.464
  119    H    CYS  16           H        CYS  16   7.522   2.484   2.484
  120    HA   CYS  16           HA       CYS  16   8.066   1.066   1.066
  121   1HB   CYS  16          2HB       CYS  16   8.393   3.769   3.769
  122   2HB   CYS  16          1HB       CYS  16   8.937   3.443   3.443
  123    H    SER  17           H        SER  17   6.402   4.030   4.030
  124    HA   SER  17           HA       SER  17   5.299   4.280   4.280
  125   1HB   SER  17          2HB       SER  17   4.452   5.701   5.701
  126   2HB   SER  17          1HB       SER  17   4.098   6.243   6.243
  127    HG   SER  17           HG       SER  17   5.996   7.098   7.098
  128    H    GLY  18           H        GLY  18   4.404   2.092   2.092
  129   1HA   GLY  18          2HA       GLY  18   2.385   0.778   0.778
  130   2HA   GLY  18          1HA       GLY  18   1.490   2.231   2.231
  131    H    SER  19           H        SER  19   0.771   2.501   2.501
  132    HA   SER  19           HA       SER  19   1.747   0.684   0.684
  133   1HB   SER  19          2HB       SER  19  -0.482  -0.152  -0.152
  134   2HB   SER  19          1HB       SER  19  -0.333  -0.252  -0.252
  135    HG   SER  19           HG       SER  19  -1.172   1.995   1.995
  136    H    CYS  20           H        CYS  20   0.113   1.135   1.135
  137    HA   CYS  20           HA       CYS  20   0.570   3.965   3.965
  138   1HB   CYS  20          2HB       CYS  20  -0.058   1.591   1.591
  139   2HB   CYS  20          1HB       CYS  20   0.697   3.079   3.079
  140    H    GLY  21           H        GLY  21  -1.058   4.447   4.447
  141   1HA   GLY  21          2HA       GLY  21  -3.646   3.783   3.783
  142   2HA   GLY  21          1HA       GLY  21  -3.716   4.565   4.565
  143    H    ARG  22           H        ARG  22  -1.292   5.915   5.915
  144    HA   ARG  22           HA       ARG  22  -2.899   8.351   8.351
  145   1HB   ARG  22          2HB       ARG  22   0.051   7.695   7.695
  146   2HB   ARG  22          1HB       ARG  22  -0.523   9.231   9.231
  147   1HG   ARG  22          2HG       ARG  22  -1.671   8.580   8.580
  148   2HG   ARG  22          1HG       ARG  22   0.077   8.600   8.600
  149   1HD   ARG  22          2HD       ARG  22  -0.490  10.877  10.877
  150   2HD   ARG  22          1HD       ARG  22  -0.134  10.882  10.882
  151    HE   ARG  22           HE       ARG  22  -2.454  11.070  11.070
  152   1HH1  ARG  22          2HH1      ARG  22  -1.852  10.799  10.799
  153   2HH1  ARG  22          1HH1      ARG  22  -3.443  11.328  11.328
  154   1HH2  ARG  22          1HH2      ARG  22  -4.463  11.733  11.733
  155   2HH2  ARG  22          2HH2      ARG  22  -4.940  11.860  11.860
  156    H    SER  23           H        SER  23  -3.103   5.856   5.856
  157    HA   SER  23           HA       SER  23  -3.555   5.095   5.095
  158   1HB   SER  23          2HB       SER  23  -4.356   6.699   6.699
  159   2HB   SER  23          1HB       SER  23  -4.594   7.546   7.546
  160    HG   SER  23           HG       SER  23  -2.699   7.939   7.939
  161    H    GLY  24           H        GLY  24  -0.932   5.053   5.053
  162   1HA   GLY  24          2HA       GLY  24   0.719   3.845   3.845
  163   2HA   GLY  24          1HA       GLY  24   0.719   5.332   5.332
  164    H    LYS  25           H        LYS  25   0.436   5.593   5.593
  165    HA   LYS  25           HA       LYS  25   3.340   5.963   5.963
  166   1HB   LYS  25          2HB       LYS  25   3.152   8.161   8.161
  167   2HB   LYS  25          1HB       LYS  25   1.406   8.225   8.225
  168   1HG   LYS  25          2HG       LYS  25   2.018   8.381   8.381
  169   2HG   LYS  25          1HG       LYS  25   3.667   8.433   8.433
  170   1HD   LYS  25          2HD       LYS  25   1.555  10.390  10.390
  171   2HD   LYS  25          1HD       LYS  25   2.446  10.702  10.702
  172   1HE   LYS  25          2HE       LYS  25   4.253  11.439  11.439
  173   2HE   LYS  25          1HE       LYS  25   4.315   9.977   9.977
  174   1HZ   LYS  25          1HZ       LYS  25   2.499  10.908  10.908
  175   2HZ   LYS  25          3HZ       LYS  25   2.649  12.364  12.364
  176   3HZ   LYS  25          2HZ       LYS  25   3.947  11.793  11.793
  177    H    CYS  26           H        CYS  26   3.956   6.268   6.268
  178    HA   CYS  26           HA       CYS  26   2.397   4.652   4.652
  179   1HB   CYS  26          2HB       CYS  26   4.948   6.191   6.191
  180   2HB   CYS  26          1HB       CYS  26   4.203   5.493   5.493
  181   1HN   NH2  27          1HT       CYS  26   0.911   5.277   5.277
  182   2HN   NH2  27          2HT       CYS  26   0.612   6.857   6.857

  Start of MODEL    4
    1   1H    CYS   1          1H        CYS   1  12.265  -0.217  -0.217
    2   2H    CYS   1          3H        CYS   1  11.667  -1.779  -1.779
    3   3H    CYS   1          2H        CYS   1  12.161  -1.348  -1.348
    4    HA   CYS   1           HA       CYS   1   9.804  -1.331  -1.331
    5   1HB   CYS   1          2HB       CYS   1   8.725   0.375   0.375
    6   2HB   CYS   1          1HB       CYS   1   9.293  -1.108  -1.108
    7    H    LYS   2           H        LYS   2   8.401   0.752   0.752
    8    HA   LYS   2           HA       LYS   2  10.073   2.426   2.426
    9   1HB   LYS   2          2HB       LYS   2   7.037   2.366   2.366
   10   2HB   LYS   2          1HB       LYS   2   8.028   2.972   2.972
   11   1HG   LYS   2          2HG       LYS   2   8.220   0.044   0.044
   12   2HG   LYS   2          1HG       LYS   2   6.910   0.611   0.611
   13   1HD   LYS   2          2HD       LYS   2   8.640   1.617   1.617
   14   2HD   LYS   2          1HD       LYS   2   9.885   0.854   0.854
   15   1HE   LYS   2          2HE       LYS   2   8.881  -1.377  -1.377
   16   2HE   LYS   2          1HE       LYS   2   7.625  -0.613  -0.613
   17   1HZ   LYS   2          1HZ       LYS   2  10.530  -0.455  -0.455
   18   2HZ   LYS   2          3HZ       LYS   2   9.429  -1.471  -1.471
   19   3HZ   LYS   2          2HZ       LYS   2   9.291   0.216   0.216
   20    H    LEU   3           H        LEU   3  10.397   4.549   4.549
   21    HA   LEU   3           HA       LEU   3   9.887   5.811   5.811
   22   1HB   LEU   3          2HB       LEU   3  11.735   6.292   6.292
   23   2HB   LEU   3          1HB       LEU   3  10.604   6.968   6.968
   24    HG   LEU   3           HG       LEU   3  10.357   8.218   8.218
   25   1HD1  LEU   3          2HD1      LEU   3  12.989   8.458   8.458
   26   2HD1  LEU   3          1HD1      LEU   3  12.504   9.461   9.461
   27   3HD1  LEU   3          3HD1      LEU   3  12.776   7.740   7.740
   28   1HD2  LEU   3          2HD2      LEU   3   9.476   8.962   8.962
   29   2HD2  LEU   3          1HD2      LEU   3  10.169  10.200  10.200
   30   3HD2  LEU   3          3HD2      LEU   3  11.109   9.524   9.524
   31    H    LYS   4           H        LYS   4   8.539   7.651   7.651
   32    HA   LYS   4           HA       LYS   4   5.834   7.364   7.364
   33   1HB   LYS   4          2HB       LYS   4   6.525   8.381   8.381
   34   2HB   LYS   4          1HB       LYS   4   7.136   9.779   9.779
   35   1HG   LYS   4          2HG       LYS   4   4.945  10.422  10.422
   36   2HG   LYS   4          1HG       LYS   4   4.747  10.045  10.045
   37   1HD   LYS   4          2HD       LYS   4   4.008   7.693   7.693
   38   2HD   LYS   4          1HD       LYS   4   4.055   8.249   8.249
   39   1HE   LYS   4          2HE       LYS   4   2.401   9.644   9.644
   40   2HE   LYS   4          1HE       LYS   4   1.765   8.357   8.357
   41   1HZ   LYS   4          2HZ       LYS   4   2.387   9.678   9.678
   42   2HZ   LYS   4          1HZ       LYS   4   2.867  10.943  10.943
   43   3HZ   LYS   4          3HZ       LYS   4   1.242  10.452  10.452
   44    H    GLY   5           H        GLY   5   5.071   7.890   7.890
   45   1HA   GLY   5          2HA       GLY   5   4.477   9.320   9.320
   46   2HA   GLY   5          1HA       GLY   5   5.734  10.437  10.437
   47    H    GLN   6           H        GLN   6   6.297   7.027   7.027
   48    HA   GLN   6           HA       GLN   6   8.021   7.452   7.452
   49   1HB   GLN   6          2HB       GLN   6   8.988   6.502   6.502
   50   2HB   GLN   6          1HB       GLN   6   7.963   5.095   5.095
   51   1HG   GLN   6          2HG       GLN   6   9.115   4.463   4.463
   52   2HG   GLN   6          1HG       GLN   6   9.928   6.020   6.020
   53   1HE2  GLN   6          2HE2      GLN   6  11.542   3.066   3.066
   54   2HE2  GLN   6          1HE2      GLN   6  10.141   2.838   2.838
   55    H    SER   7           H        SER   7   8.056   5.706   5.706
   56    HA   SER   7           HA       SER   7   5.526   5.145   5.145
   57   1HB   SER   7          2HB       SER   7   6.941   3.547   3.547
   58   2HB   SER   7          1HB       SER   7   7.465   5.234   5.234
   59    HG   SER   7           HG       SER   7   8.424   3.603   3.603
   60    H    CYS   8           H        CYS   8   4.071   3.725   3.725
   61    HA   CYS   8           HA       CYS   8   4.689   0.967   0.967
   62   1HB   CYS   8          2HB       CYS   8   3.422   1.170   1.170
   63   2HB   CYS   8          1HB       CYS   8   4.974   1.954   1.954
   64    H    ARG   9           H        ARG   9   2.318   0.170   0.170
   65    HA   ARG   9           HA       ARG   9   0.173   1.116   1.116
   66   1HB   ARG   9          2HB       ARG   9   1.317  -1.687  -1.687
   67   2HB   ARG   9          1HB       ARG   9  -0.370  -1.493  -1.493
   68   1HG   ARG   9          2HG       ARG   9   1.821  -0.045  -0.045
   69   2HG   ARG   9          1HG       ARG   9   1.329  -1.675  -1.675
   70   1HD   ARG   9          2HD       ARG   9  -1.023  -0.901  -0.901
   71   2HD   ARG   9          1HD       ARG   9  -0.549   0.734   0.734
   72    HE   ARG   9           HE       ARG   9   0.442   0.999   0.999
   73   1HH1  ARG   9          2HH1      ARG   9  -0.243  -2.351  -2.351
   74   2HH1  ARG   9          1HH1      ARG   9   0.130  -2.829  -2.829
   75   1HH2  ARG   9          1HH2      ARG   9   0.917   0.409   0.409
   76   2HH2  ARG   9          2HH2      ARG   9   0.796  -1.248  -1.248
   77    H    LYS  10           H        LYS  10  -1.847   0.995   0.995
   78    HA   LYS  10           HA       LYS  10  -2.283   1.194   1.194
   79   1HB   LYS  10          2HB       LYS  10  -4.682   0.802   0.802
   80   2HB   LYS  10          1HB       LYS  10  -3.946   1.898   1.898
   81   1HG   LYS  10          2HG       LYS  10  -3.755   0.136   0.136
   82   2HG   LYS  10          1HG       LYS  10  -4.261  -1.087  -1.087
   83   1HD   LYS  10          2HD       LYS  10  -6.416   0.551   0.551
   84   2HD   LYS  10          1HD       LYS  10  -5.903   0.992   0.992
   85   1HE   LYS  10          2HE       LYS  10  -7.458  -0.839  -0.839
   86   2HE   LYS  10          1HE       LYS  10  -5.867  -1.521  -1.521
   87   1HZ   LYS  10          1HZ       LYS  10  -7.282  -1.598  -1.598
   88   2HZ   LYS  10          3HZ       LYS  10  -7.228  -2.874  -2.874
   89   3HZ   LYS  10          2HZ       LYS  10  -5.801  -2.343  -2.343
   90    H    THR  11           H        THR  11  -3.195  -0.125  -0.125
   91    HA   THR  11           HA       THR  11  -3.189  -1.985  -1.985
   92    HB   THR  11           HB       THR  11  -4.202  -4.133  -4.133
   93    HG1  THR  11           HG1      THR  11  -4.136  -3.037  -3.037
   94   1HG2  THR  11          3HG2      THR  11  -5.748  -1.631  -1.631
   95   2HG2  THR  11          2HG2      THR  11  -6.455  -3.202  -3.202
   96   3HG2  THR  11          1HG2      THR  11  -5.408  -3.001  -3.001
   97    H    SER  12           H        SER  12  -0.709  -1.652  -1.652
   98    HA   SER  12           HA       SER  12   0.277  -4.420  -4.420
   99   1HB   SER  12          2HB       SER  12   0.885  -2.655  -2.655
  100   2HB   SER  12          1HB       SER  12   1.847  -1.838  -1.838
  101    HG   SER  12           HG       SER  12   3.298  -3.298  -3.298
  102    H    TYR  13           H        TYR  13   0.383  -1.799  -1.799
  103    HA   TYR  13           HA       TYR  13   1.406  -1.453  -1.453
  104   1HB   TYR  13          2HB       TYR  13   1.141  -4.489  -4.489
  105   2HB   TYR  13          1HB       TYR  13   1.869  -3.732  -3.732
  106    HD1  TYR  13           HD1      TYR  13  -1.177  -3.561  -3.561
  107    HD2  TYR  13           HD2      TYR  13   0.481  -2.844  -2.844
  108    HE1  TYR  13           HE1      TYR  13  -3.406  -3.020  -3.020
  109    HE2  TYR  13           HE2      TYR  13  -1.748  -2.303  -2.303
  110    HH   TYR  13           HH       TYR  13  -3.894  -2.060  -2.060
  111    H    ASP  14           H        ASP  14   3.093  -1.932  -1.932
  112    HA   ASP  14           HA       ASP  14   5.624  -2.980  -2.980
  113   1HB   ASP  14          2HB       ASP  14   4.496  -1.757  -1.757
  114   2HB   ASP  14          1HB       ASP  14   6.218  -1.516  -1.516
  115    H    CYS  15           H        CYS  15   4.112   0.048   0.048
  116    HA   CYS  15           HA       CYS  15   6.594   1.568   1.568
  117   1HB   CYS  15          2HB       CYS  15   4.046   2.629   2.629
  118   2HB   CYS  15          1HB       CYS  15   5.339   3.432   3.432
  119    H    CYS  16           H        CYS  16   7.427   2.539   2.539
  120    HA   CYS  16           HA       CYS  16   7.987   1.239   1.239
  121   1HB   CYS  16          2HB       CYS  16   8.287   3.908   3.908
  122   2HB   CYS  16          1HB       CYS  16   8.837   3.627   3.627
  123    H    SER  17           H        SER  17   6.295   4.153   4.153
  124    HA   SER  17           HA       SER  17   5.222   4.549   4.549
  125   1HB   SER  17          2HB       SER  17   3.882   6.390   6.390
  126   2HB   SER  17          1HB       SER  17   5.602   6.447   6.447
  127    HG   SER  17           HG       SER  17   5.131   5.212   5.212
  128    H    GLY  18           H        GLY  18   4.313   2.277   2.277
  129   1HA   GLY  18          2HA       GLY  18   2.349   0.945   0.945
  130   2HA   GLY  18          1HA       GLY  18   1.414   2.372   2.372
  131    H    SER  19           H        SER  19   0.713   2.648   2.648
  132    HA   SER  19           HA       SER  19   1.622   0.785   0.785
  133   1HB   SER  19          2HB       SER  19  -1.369   1.201   1.201
  134   2HB   SER  19          1HB       SER  19  -0.557  -0.096  -0.096
  135    HG   SER  19           HG       SER  19  -1.131  -0.862  -0.862
  136    H    CYS  20           H        CYS  20   0.201   1.220   1.220
  137    HA   CYS  20           HA       CYS  20   0.581   4.047   4.047
  138   1HB   CYS  20          2HB       CYS  20   1.295   1.697   1.697
  139   2HB   CYS  20          1HB       CYS  20  -0.277   1.918   1.918
  140    H    GLY  21           H        GLY  21  -1.115   4.642   4.642
  141   1HA   GLY  21          2HA       GLY  21  -3.696   3.877   3.877
  142   2HA   GLY  21          1HA       GLY  21  -3.738   4.555   4.555
  143    H    ARG  22           H        ARG  22  -1.517   6.368   6.368
  144    HA   ARG  22           HA       ARG  22  -3.506   8.491   8.491
  145   1HB   ARG  22          2HB       ARG  22  -1.276   8.678   8.678
  146   2HB   ARG  22          1HB       ARG  22  -0.537   8.952   8.952
  147   1HG   ARG  22          2HG       ARG  22  -2.801  10.613  10.613
  148   2HG   ARG  22          1HG       ARG  22  -2.350  10.705  10.705
  149   1HD   ARG  22          2HD       ARG  22  -1.212  12.492  12.492
  150   2HD   ARG  22          1HD       ARG  22  -0.027  11.346  11.346
  151    HE   ARG  22           HE       ARG  22   0.412  10.659  10.659
  152   1HH1  ARG  22          1HH2      ARG  22  -2.456  12.605  12.605
  153   2HH1  ARG  22          2HH2      ARG  22  -2.567  12.739  12.739
  154   1HH2  ARG  22          2HH1      ARG  22   0.287  10.815  10.815
  155   2HH2  ARG  22          1HH1      ARG  22  -0.992  11.711  11.711
  156    H    SER  23           H        SER  23  -3.105   6.244   6.244
  157    HA   SER  23           HA       SER  23  -2.982   5.573   5.573
  158   1HB   SER  23          2HB       SER  23  -3.603   7.223   7.223
  159   2HB   SER  23          1HB       SER  23  -4.390   7.765   7.765
  160    HG   SER  23           HG       SER  23  -3.306   9.455   9.455
  161    H    GLY  24           H        GLY  24  -0.991   4.694   4.694
  162   1HA   GLY  24          2HA       GLY  24   1.121   4.148   4.148
  163   2HA   GLY  24          1HA       GLY  24   1.153   5.675   5.675
  164    H    LYS  25           H        LYS  25   0.378   6.467   6.467
  165    HA   LYS  25           HA       LYS  25   3.250   6.762   6.762
  166   1HB   LYS  25          2HB       LYS  25   2.792   8.899   8.899
  167   2HB   LYS  25          1HB       LYS  25   1.070   8.803   8.803
  168   1HG   LYS  25          2HG       LYS  25   1.264   9.264   9.264
  169   2HG   LYS  25          1HG       LYS  25   2.894   8.691   8.691
  170   1HD   LYS  25          2HD       LYS  25   1.924  11.310  11.310
  171   2HD   LYS  25          1HD       LYS  25   2.866  11.145  11.145
  172   1HE   LYS  25          2HE       LYS  25   4.471   9.852   9.852
  173   2HE   LYS  25          1HE       LYS  25   3.751  11.149  11.149
  174   1HZ   LYS  25          3HZ       LYS  25   4.772  11.829  11.829
  175   2HZ   LYS  25          2HZ       LYS  25   5.909  11.475  11.475
  176   3HZ   LYS  25          1HZ       LYS  25   4.784  12.726  12.726
  177    H    CYS  26           H        CYS  26   3.811   6.619   6.619
  178    HA   CYS  26           HA       CYS  26   2.304   4.899   4.899
  179   1HB   CYS  26          2HB       CYS  26   5.005   6.161   6.161
  180   2HB   CYS  26          1HB       CYS  26   4.344   5.504   5.504
  181   1HN   NH2  27          1HT       CYS  26   0.794   5.570   5.570
  182   2HN   NH2  27          2HT       CYS  26   0.758   7.059   7.059

  Start of MODEL    5
    1   1H    CYS   1          3H        CYS   1  12.269  -0.322  -0.322
    2   2H    CYS   1          2H        CYS   1  11.648  -1.892  -1.892
    3   3H    CYS   1          1H        CYS   1  12.256  -1.397  -1.397
    4    HA   CYS   1           HA       CYS   1   9.895  -1.374  -1.374
    5   1HB   CYS   1          2HB       CYS   1   8.735   0.302   0.302
    6   2HB   CYS   1          1HB       CYS   1   9.217  -1.224  -1.224
    7    H    LYS   2           H        LYS   2   8.535   0.764   0.764
    8    HA   LYS   2           HA       LYS   2  10.327   2.437   2.437
    9   1HB   LYS   2          2HB       LYS   2   7.298   2.641   2.641
   10   2HB   LYS   2          1HB       LYS   2   8.382   3.093   3.093
   11   1HG   LYS   2          2HG       LYS   2   8.125   0.197   0.197
   12   2HG   LYS   2          1HG       LYS   2   7.033   0.908   0.908
   13   1HD   LYS   2          2HD       LYS   2   8.924   1.477   1.477
   14   2HD   LYS   2          1HD       LYS   2  10.068   0.862   0.862
   15   1HE   LYS   2          2HE       LYS   2   7.895  -0.816  -0.816
   16   2HE   LYS   2          1HE       LYS   2   9.587  -0.808  -0.808
   17   1HZ   LYS   2          3HZ       LYS   2  10.059  -1.401  -1.401
   18   2HZ   LYS   2          2HZ       LYS   2   8.403  -1.762  -1.762
   19   3HZ   LYS   2          1HZ       LYS   2   9.372  -2.606  -2.606
   20    H    LEU   3           H        LEU   3  10.044   4.747   4.747
   21    HA   LEU   3           HA       LEU   3   9.781   5.948   5.948
   22   1HB   LEU   3          2HB       LEU   3  11.606   6.250   6.250
   23   2HB   LEU   3          1HB       LEU   3  10.463   7.420   7.420
   24    HG   LEU   3           HG       LEU   3  12.232   8.447   8.447
   25   1HD1  LEU   3          1HD1      LEU   3   9.675   9.140   9.140
   26   2HD1  LEU   3          3HD1      LEU   3   9.754   8.743   8.743
   27   3HD1  LEU   3          2HD1      LEU   3  10.818   9.973   9.973
   28   1HD2  LEU   3          1HD2      LEU   3  12.412   6.373   6.373
   29   2HD2  LEU   3          3HD2      LEU   3  12.607   7.963   7.963
   30   3HD2  LEU   3          2HD2      LEU   3  11.093   7.099   7.099
   31    H    LYS   4           H        LYS   4   8.276   7.635   7.635
   32    HA   LYS   4           HA       LYS   4   5.697   7.356   7.356
   33   1HB   LYS   4          2HB       LYS   4   6.334   8.337   8.337
   34   2HB   LYS   4          1HB       LYS   4   6.700   9.827   9.827
   35   1HG   LYS   4          2HG       LYS   4   4.435  10.137  10.137
   36   2HG   LYS   4          1HG       LYS   4   4.272   9.579   9.579
   37   1HD   LYS   4          2HD       LYS   4   3.990   7.215   7.215
   38   2HD   LYS   4          1HD       LYS   4   4.039   7.872   7.872
   39   1HE   LYS   4          2HE       LYS   4   1.964   8.979   8.979
   40   2HE   LYS   4          1HE       LYS   4   2.030   8.949   8.949
   41   1HZ   LYS   4          2HZ       LYS   4   1.957   6.446   6.446
   42   2HZ   LYS   4          1HZ       LYS   4   1.473   6.727   6.727
   43   3HZ   LYS   4          3HZ       LYS   4   0.527   7.305   7.305
   44    H    GLY   5           H        GLY   5   5.050   8.055   8.055
   45   1HA   GLY   5          2HA       GLY   5   4.690   9.766   9.766
   46   2HA   GLY   5          1HA       GLY   5   6.121  10.579  10.579
   47    H    GLN   6           H        GLN   6   6.323   7.178   7.178
   48    HA   GLN   6           HA       GLN   6   8.015   7.406   7.406
   49   1HB   GLN   6          2HB       GLN   6   8.975   6.538   6.538
   50   2HB   GLN   6          1HB       GLN   6   7.921   5.144   5.144
   51   1HG   GLN   6          2HG       GLN   6   9.086   4.334   4.334
   52   2HG   GLN   6          1HG       GLN   6   9.807   5.902   5.902
   53   1HE2  GLN   6          2HE2      GLN   6  11.607   3.390   3.390
   54   2HE2  GLN   6          1HE2      GLN   6  10.131   2.983   2.983
   55    H    SER   7           H        SER   7   7.970   5.707   5.707
   56    HA   SER   7           HA       SER   7   5.428   5.113   5.113
   57   1HB   SER   7          2HB       SER   7   6.788   3.574   3.574
   58   2HB   SER   7          1HB       SER   7   7.388   5.234   5.234
   59    HG   SER   7           HG       SER   7   9.078   3.821   3.821
   60    H    CYS   8           H        CYS   8   3.997   3.732   3.732
   61    HA   CYS   8           HA       CYS   8   4.543   0.941   0.941
   62   1HB   CYS   8          2HB       CYS   8   3.310   1.146   1.146
   63   2HB   CYS   8          1HB       CYS   8   4.881   1.891   1.891
   64    H    ARG   9           H        ARG   9   2.108   0.289   0.289
   65    HA   ARG   9           HA       ARG   9   0.022   1.409   1.409
   66   1HB   ARG   9          2HB       ARG   9   1.363  -1.105  -1.105
   67   2HB   ARG   9          1HB       ARG   9  -0.254  -1.499  -1.499
   68   1HG   ARG   9          2HG       ARG   9  -1.190   0.068   0.068
   69   2HG   ARG   9          1HG       ARG   9   0.438   0.389   0.389
   70   1HD   ARG   9          2HD       ARG   9   0.741  -2.003  -2.003
   71   2HD   ARG   9          1HD       ARG   9  -0.874  -2.371  -2.371
   72    HE   ARG   9           HE       ARG   9  -0.203  -1.090  -1.090
   73   1HH1  ARG   9          1HH2      ARG   9  -2.625  -1.485  -1.485
   74   2HH1  ARG   9          2HH2      ARG   9  -3.928  -1.106  -1.106
   75   1HH2  ARG   9          2HH1      ARG   9  -1.837  -0.604  -0.604
   76   2HH2  ARG   9          1HH1      ARG   9  -3.479  -0.598  -0.598
   77    H    LYS  10           H        LYS  10  -2.048   1.177   1.177
   78    HA   LYS  10           HA       LYS  10  -2.575   1.392   1.392
   79   1HB   LYS  10          2HB       LYS  10  -4.201   0.591   0.591
   80   2HB   LYS  10          1HB       LYS  10  -4.925   0.245   0.245
   81   1HG   LYS  10          2HG       LYS  10  -4.820   2.512   2.512
   82   2HG   LYS  10          1HG       LYS  10  -3.744   2.972   2.972
   83   1HD   LYS  10          2HD       LYS  10  -5.542   2.588   2.588
   84   2HD   LYS  10          1HD       LYS  10  -6.612   2.013   2.013
   85   1HE   LYS  10          2HE       LYS  10  -7.217   4.312   4.312
   86   2HE   LYS  10          1HE       LYS  10  -6.265   4.318   4.318
   87   1HZ   LYS  10          3HZ       LYS  10  -5.258   4.943   4.943
   88   2HZ   LYS  10          2HZ       LYS  10  -5.583   6.069   6.069
   89   3HZ   LYS  10          1HZ       LYS  10  -4.328   4.942   4.942
   90    H    THR  11           H        THR  11  -2.994   0.201   0.201
   91    HA   THR  11           HA       THR  11  -2.752  -1.534  -1.534
   92    HB   THR  11           HB       THR  11  -4.291  -3.465  -3.465
   93    HG1  THR  11           HG1      THR  11  -3.425  -3.613  -3.613
   94   1HG2  THR  11          2HG2      THR  11  -5.358  -1.113  -1.113
   95   2HG2  THR  11          1HG2      THR  11  -5.443  -1.041  -1.041
   96   3HG2  THR  11          3HG2      THR  11  -6.333  -2.277  -2.277
   97    H    SER  12           H        SER  12  -0.523  -1.318  -1.318
   98    HA   SER  12           HA       SER  12   0.346  -4.081  -4.081
   99   1HB   SER  12          2HB       SER  12   1.025  -2.288  -2.288
  100   2HB   SER  12          1HB       SER  12   1.868  -1.429  -1.429
  101    HG   SER  12           HG       SER  12   3.234  -3.140  -3.140
  102    H    TYR  13           H        TYR  13   0.566  -1.770  -1.770
  103    HA   TYR  13           HA       TYR  13   1.650  -1.660  -1.660
  104   1HB   TYR  13          2HB       TYR  13   1.553  -4.692  -4.692
  105   2HB   TYR  13          1HB       TYR  13   1.819  -3.877  -3.877
  106    HD1  TYR  13           HD1      TYR  13   0.010  -2.123  -2.123
  107    HD2  TYR  13           HD2      TYR  13  -0.665  -5.100  -5.100
  108    HE1  TYR  13           HE1      TYR  13  -2.406  -1.851  -1.851
  109    HE2  TYR  13           HE2      TYR  13  -3.082  -4.826  -4.826
  110    HH   TYR  13           HH       TYR  13  -4.423  -2.505  -2.505
  111    H    ASP  14           H        ASP  14   3.276  -1.737  -1.737
  112    HA   ASP  14           HA       ASP  14   5.804  -3.003  -3.003
  113   1HB   ASP  14          2HB       ASP  14   4.624  -1.674  -1.674
  114   2HB   ASP  14          1HB       ASP  14   6.321  -1.308  -1.308
  115    H    CYS  15           H        CYS  15   4.341   0.119   0.119
  116    HA   CYS  15           HA       CYS  15   6.806   1.562   1.562
  117   1HB   CYS  15          2HB       CYS  15   4.220   2.624   2.624
  118   2HB   CYS  15          1HB       CYS  15   5.535   3.425   3.425
  119    H    CYS  16           H        CYS  16   7.510   2.521   2.521
  120    HA   CYS  16           HA       CYS  16   7.911   1.048   1.048
  121   1HB   CYS  16          2HB       CYS  16   8.275   3.782   3.782
  122   2HB   CYS  16          1HB       CYS  16   8.703   3.386   3.386
  123    H    SER  17           H        SER  17   6.243   3.996   3.996
  124    HA   SER  17           HA       SER  17   4.970   4.166   4.166
  125   1HB   SER  17          2HB       SER  17   4.270   5.625   5.625
  126   2HB   SER  17          1HB       SER  17   3.792   6.131   6.131
  127    HG   SER  17           HG       SER  17   6.084   6.053   6.053
  128    H    GLY  18           H        GLY  18   4.274   2.056   2.056
  129   1HA   GLY  18          2HA       GLY  18   2.251   0.621   0.621
  130   2HA   GLY  18          1HA       GLY  18   1.325   2.065   2.065
  131    H    SER  19           H        SER  19   0.698   2.396   2.396
  132    HA   SER  19           HA       SER  19   1.927   0.852   0.852
  133   1HB   SER  19          2HB       SER  19  -0.252  -0.072  -0.072
  134   2HB   SER  19          1HB       SER  19  -0.081  -0.440  -0.440
  135    HG   SER  19           HG       SER  19  -1.631   1.500   1.500
  136    H    CYS  20           H        CYS  20   0.336   1.355   1.355
  137    HA   CYS  20           HA       CYS  20   0.755   4.181   4.181
  138   1HB   CYS  20          2HB       CYS  20   0.828   1.747   1.747
  139   2HB   CYS  20          1HB       CYS  20  -0.632   2.482   2.482
  140    H    GLY  21           H        GLY  21  -1.234   4.709   4.709
  141   1HA   GLY  21          2HA       GLY  21  -3.879   4.297   4.297
  142   2HA   GLY  21          1HA       GLY  21  -3.457   5.269   5.269
  143    H    ARG  22           H        ARG  22  -1.472   6.627   6.627
  144    HA   ARG  22           HA       ARG  22  -3.530   8.652   8.652
  145   1HB   ARG  22          2HB       ARG  22  -1.237   9.132   9.132
  146   2HB   ARG  22          1HB       ARG  22  -0.565   8.956   8.956
  147   1HG   ARG  22          2HG       ARG  22  -2.229  10.720  10.720
  148   2HG   ARG  22          1HG       ARG  22  -2.734  10.933  10.933
  149   1HD   ARG  22          2HD       ARG  22  -0.533  11.731  11.731
  150   2HD   ARG  22          1HD       ARG  22   0.149  11.287  11.287
  151    HE   ARG  22           HE       ARG  22  -1.964  13.061  13.061
  152   1HH1  ARG  22          1HH2      ARG  22   1.059  13.032  13.032
  153   2HH1  ARG  22          2HH2      ARG  22   1.356  14.717  14.717
  154   1HH2  ARG  22          2HH1      ARG  22  -1.610  15.203  15.203
  155   2HH2  ARG  22          1HH1      ARG  22  -0.178  15.966  15.966
  156    H    SER  23           H        SER  23  -3.193   6.066   6.066
  157    HA   SER  23           HA       SER  23  -3.308   4.991   4.991
  158   1HB   SER  23          2HB       SER  23  -4.345   6.229   6.229
  159   2HB   SER  23          1HB       SER  23  -4.900   7.062   7.062
  160    HG   SER  23           HG       SER  23  -3.065   7.848   7.848
  161    H    GLY  24           H        GLY  24  -0.918   5.064   5.064
  162   1HA   GLY  24          2HA       GLY  24   0.943   4.267   4.267
  163   2HA   GLY  24          1HA       GLY  24   0.885   5.886   5.886
  164    H    LYS  25           H        LYS  25   0.319   6.537   6.537
  165    HA   LYS  25           HA       LYS  25   3.238   6.539   6.539
  166   1HB   LYS  25          2HB       LYS  25   3.028   8.756   8.756
  167   2HB   LYS  25          1HB       LYS  25   1.327   8.869   8.869
  168   1HG   LYS  25          2HG       LYS  25   3.412   8.467   8.467
  169   2HG   LYS  25          1HG       LYS  25   3.205  10.041  10.041
  170   1HD   LYS  25          2HD       LYS  25   0.754   9.900   9.900
  171   2HD   LYS  25          1HD       LYS  25   1.149   8.522   8.522
  172   1HE   LYS  25          2HE       LYS  25   2.896  10.038  10.038
  173   2HE   LYS  25          1HE       LYS  25   2.197  11.371  11.371
  174   1HZ   LYS  25          2HZ       LYS  25   0.652   9.595   9.595
  175   2HZ   LYS  25          1HZ       LYS  25   1.285  11.104  11.104
  176   3HZ   LYS  25          3HZ       LYS  25   0.106  11.011  11.011
  177    H    CYS  26           H        CYS  26   3.834   6.467   6.467
  178    HA   CYS  26           HA       CYS  26   2.460   4.808   4.808
  179   1HB   CYS  26          2HB       CYS  26   5.064   6.219   6.219
  180   2HB   CYS  26          1HB       CYS  26   4.513   5.538   5.538
  181   1HN   NH2  27          1HT       CYS  26   0.744   5.596   5.596
  182   2HN   NH2  27          2HT       CYS  26   0.724   7.043   7.043

  Start of MODEL    6
    1   1H    CYS   1          2H        CYS   1  12.529  -0.634  -0.634
    2   2H    CYS   1          1H        CYS   1  11.882  -2.200  -2.200
    3   3H    CYS   1          3H        CYS   1  12.504  -1.446  -1.446
    4    HA   CYS   1           HA       CYS   1  10.149  -1.349  -1.349
    5   1HB   CYS   1          2HB       CYS   1   8.986  -0.016  -0.016
    6   2HB   CYS   1          1HB       CYS   1   9.464  -1.643  -1.643
    7    H    LYS   2           H        LYS   2   8.837   0.805   0.805
    8    HA   LYS   2           HA       LYS   2  10.689   2.826   2.826
    9   1HB   LYS   2          2HB       LYS   2   7.662   2.685   2.685
   10   2HB   LYS   2          1HB       LYS   2   8.754   3.659   3.659
   11   1HG   LYS   2          2HG       LYS   2   9.052   0.643   0.643
   12   2HG   LYS   2          1HG       LYS   2   7.860   1.437   1.437
   13   1HD   LYS   2          2HD       LYS   2   9.795   2.891   2.891
   14   2HD   LYS   2          1HD       LYS   2  10.879   1.804   1.804
   15   1HE   LYS   2          2HE       LYS   2   8.881   0.981   0.981
   16   2HE   LYS   2          1HE       LYS   2  10.621   1.090   1.090
   17   1HZ   LYS   2          3HZ       LYS   2   9.267  -0.689  -0.689
   18   2HZ   LYS   2          2HZ       LYS   2   9.840  -1.170  -1.170
   19   3HZ   LYS   2          1HZ       LYS   2  10.930  -0.631  -0.631
   20    H    LEU   3           H        LEU   3   9.642   5.121   5.121
   21    HA   LEU   3           HA       LEU   3   9.021   5.800   5.800
   22   1HB   LEU   3          2HB       LEU   3  11.330   6.362   6.362
   23   2HB   LEU   3          1HB       LEU   3  10.517   7.437   7.437
   24    HG   LEU   3           HG       LEU   3  11.605   8.420   8.420
   25   1HD1  LEU   3          1HD1      LEU   3   9.393   9.239   9.239
   26   2HD1  LEU   3          3HD1      LEU   3   8.900   9.517   9.517
   27   3HD1  LEU   3          2HD1      LEU   3  10.377  10.236  10.236
   28   1HD2  LEU   3          2HD2      LEU   3  10.580   6.655   6.655
   29   2HD2  LEU   3          1HD2      LEU   3  10.443   8.313   8.313
   30   3HD2  LEU   3          3HD2      LEU   3   9.054   7.509   7.509
   31    H    LYS   4           H        LYS   4   7.770   7.882   7.882
   32    HA   LYS   4           HA       LYS   4   5.344   7.708   7.708
   33   1HB   LYS   4          2HB       LYS   4   5.813   8.866   8.866
   34   2HB   LYS   4          1HB       LYS   4   6.423  10.228  10.228
   35   1HG   LYS   4          2HG       LYS   4   3.701   9.165   9.165
   36   2HG   LYS   4          1HG       LYS   4   3.823  10.000  10.000
   37   1HD   LYS   4          2HD       LYS   4   4.630  12.022  12.022
   38   2HD   LYS   4          1HD       LYS   4   4.901  11.229  11.229
   39   1HE   LYS   4          2HE       LYS   4   2.431  10.810  10.810
   40   2HE   LYS   4          1HE       LYS   4   2.196  11.721  11.721
   41   1HZ   LYS   4          2HZ       LYS   4   3.437  13.567  13.567
   42   2HZ   LYS   4          1HZ       LYS   4   3.212  12.686  12.686
   43   3HZ   LYS   4          3HZ       LYS   4   1.868  13.231  13.231
   44    H    GLY   5           H        GLY   5   4.898   8.196   8.196
   45   1HA   GLY   5          2HA       GLY   5   4.675   9.755   9.755
   46   2HA   GLY   5          1HA       GLY   5   6.122  10.528  10.528
   47    H    GLN   6           H        GLN   6   6.419   7.136   7.136
   48    HA   GLN   6           HA       GLN   6   7.971   7.221   7.221
   49   1HB   GLN   6          2HB       GLN   6   8.208   5.682   5.682
   50   2HB   GLN   6          1HB       GLN   6   8.624   4.811   4.811
   51   1HG   GLN   6          2HG       GLN   6  10.669   5.766   5.766
   52   2HG   GLN   6          1HG       GLN   6  10.113   6.846   6.846
   53   1HE2  GLN   6          2HE2      GLN   6  11.297   8.855   8.855
   54   2HE2  GLN   6          1HE2      GLN   6  11.993   7.678   7.678
   55    H    SER   7           H        SER   7   8.060   5.265   5.265
   56    HA   SER   7           HA       SER   7   5.568   4.584   4.584
   57   1HB   SER   7          2HB       SER   7   6.979   2.824   2.824
   58   2HB   SER   7          1HB       SER   7   7.625   4.467   4.467
   59    HG   SER   7           HG       SER   7   8.364   2.384   2.384
   60    H    CYS   8           H        CYS   8   4.070   3.274   3.274
   61    HA   CYS   8           HA       CYS   8   4.598   0.641   0.641
   62   1HB   CYS   8          2HB       CYS   8   3.377   1.028   1.028
   63   2HB   CYS   8          1HB       CYS   8   4.649   2.221   2.221
   64    H    ARG   9           H        ARG   9   2.162  -0.021  -0.021
   65    HA   ARG   9           HA       ARG   9   0.089   0.717   0.717
   66   1HB   ARG   9          2HB       ARG   9   1.460  -1.185  -1.185
   67   2HB   ARG   9          1HB       ARG   9   0.983  -2.177  -2.177
   68   1HG   ARG   9          2HG       ARG   9  -1.442  -1.620  -1.620
   69   2HG   ARG   9          1HG       ARG   9  -0.823  -0.897  -0.897
   70   1HD   ARG   9          2HD       ARG   9  -0.365  -3.814  -3.814
   71   2HD   ARG   9          1HD       ARG   9  -1.590  -3.278  -3.278
   72    HE   ARG   9           HE       ARG   9   0.090  -2.729  -2.729
   73   1HH1  ARG   9          2HH1      ARG   9   1.432  -3.934  -3.934
   74   2HH1  ARG   9          1HH1      ARG   9   2.986  -4.224  -4.224
   75   1HH2  ARG   9          1HH2      ARG   9   2.043  -3.089  -3.089
   76   2HH2  ARG   9          2HH2      ARG   9   3.338  -3.741  -3.741
   77    H    LYS  10           H        LYS  10  -1.871   0.619   0.619
   78    HA   LYS  10           HA       LYS  10  -2.259   0.398   0.398
   79   1HB   LYS  10          2HB       LYS  10  -4.731   0.193   0.193
   80   2HB   LYS  10          1HB       LYS  10  -3.918   1.546   1.546
   81   1HG   LYS  10          2HG       LYS  10  -3.812  -0.957  -0.957
   82   2HG   LYS  10          1HG       LYS  10  -5.434  -0.367  -0.367
   83   1HD   LYS  10          2HD       LYS  10  -5.032   1.687   1.687
   84   2HD   LYS  10          1HD       LYS  10  -3.292   1.577   1.577
   85   1HE   LYS  10          2HE       LYS  10  -3.881   1.100   1.100
   86   2HE   LYS  10          1HE       LYS  10  -3.282  -0.377  -0.377
   87   1HZ   LYS  10          3HZ       LYS  10  -6.152   0.321   0.321
   88   2HZ   LYS  10          2HZ       LYS  10  -5.327  -0.652  -0.652
   89   3HZ   LYS  10          1HZ       LYS  10  -5.484  -1.161  -1.161
   90    H    THR  11           H        THR  11  -3.393  -1.197  -1.197
   91    HA   THR  11           HA       THR  11  -3.704  -3.320  -3.320
   92    HB   THR  11           HB       THR  11  -4.882  -4.914  -4.914
   93    HG1  THR  11           HG1      THR  11  -3.757  -5.536  -5.536
   94   1HG2  THR  11          3HG2      THR  11  -5.879  -2.482  -2.482
   95   2HG2  THR  11          2HG2      THR  11  -5.177  -2.534  -2.534
   96   3HG2  THR  11          1HG2      THR  11  -6.386  -3.714  -3.714
   97    H    SER  12           H        SER  12  -1.070  -2.478  -2.478
   98    HA   SER  12           HA       SER  12   0.538  -4.754  -4.754
   99   1HB   SER  12          2HB       SER  12  -0.120  -5.372  -5.372
  100   2HB   SER  12          1HB       SER  12   0.567  -3.838  -3.838
  101    HG   SER  12           HG       SER  12   2.543  -4.474  -4.474
  102    H    TYR  13           H        TYR  13   0.242  -2.504  -2.504
  103    HA   TYR  13           HA       TYR  13   1.178  -0.103  -0.103
  104   1HB   TYR  13          2HB       TYR  13   1.842  -1.961  -1.961
  105   2HB   TYR  13          1HB       TYR  13   2.397  -0.294  -0.294
  106    HD1  TYR  13           HD1      TYR  13   0.721   1.570   1.570
  107    HD2  TYR  13           HD2      TYR  13  -0.507  -2.475  -2.475
  108    HE1  TYR  13           HE1      TYR  13  -1.514   2.330   2.330
  109    HE2  TYR  13           HE2      TYR  13  -2.738  -1.715  -1.715
  110    HH   TYR  13           HH       TYR  13  -4.061   0.012   0.012
  111    H    ASP  14           H        ASP  14   3.610  -2.560  -2.560
  112    HA   ASP  14           HA       ASP  14   5.876  -2.692  -2.692
  113   1HB   ASP  14          2HB       ASP  14   5.123  -2.672  -2.672
  114   2HB   ASP  14          1HB       ASP  14   4.814  -0.958  -0.958
  115    H    CYS  15           H        CYS  15   4.515  -0.051  -0.051
  116    HA   CYS  15           HA       CYS  15   7.021   1.581   1.581
  117   1HB   CYS  15          2HB       CYS  15   4.508   2.667   2.667
  118   2HB   CYS  15          1HB       CYS  15   5.761   3.448   3.448
  119    H    CYS  16           H        CYS  16   7.856   2.160   2.160
  120    HA   CYS  16           HA       CYS  16   8.108   0.343   0.343
  121   1HB   CYS  16          2HB       CYS  16   8.532   3.181   3.181
  122   2HB   CYS  16          1HB       CYS  16   8.945   2.456   2.456
  123    H    SER  17           H        SER  17   6.552   3.361   3.361
  124    HA   SER  17           HA       SER  17   5.144   2.974   2.974
  125   1HB   SER  17          2HB       SER  17   5.930   5.235   5.235
  126   2HB   SER  17          1HB       SER  17   4.513   5.163   5.163
  127    HG   SER  17           HG       SER  17   4.546   4.951   4.951
  128    H    GLY  18           H        GLY  18   4.369   1.984   1.984
  129   1HA   GLY  18          2HA       GLY  18   2.435   0.998   0.998
  130   2HA   GLY  18          1HA       GLY  18   1.859   0.820   0.820
  131    H    SER  19           H        SER  19   2.354   3.196   3.196
  132    HA   SER  19           HA       SER  19   0.042   4.827   4.827
  133   1HB   SER  19          2HB       SER  19   1.232   6.721   6.721
  134   2HB   SER  19          1HB       SER  19   2.242   5.861   5.861
  135    HG   SER  19           HG       SER  19   2.960   4.537   4.537
  136    H    CYS  20           H        CYS  20   1.585   3.619   3.619
  137    HA   CYS  20           HA       CYS  20   0.579   4.386   4.386
  138   1HB   CYS  20          2HB       CYS  20   1.611   2.060   2.060
  139   2HB   CYS  20          1HB       CYS  20  -0.049   1.511   1.511
  140    H    GLY  21           H        GLY  21  -0.979   4.748   4.748
  141   1HA   GLY  21          2HA       GLY  21  -3.346   3.806   3.806
  142   2HA   GLY  21          1HA       GLY  21  -3.772   4.393   4.393
  143    H    ARG  22           H        ARG  22  -1.320   6.138   6.138
  144    HA   ARG  22           HA       ARG  22  -3.067   8.467   8.467
  145   1HB   ARG  22          2HB       ARG  22  -0.682   8.212   8.212
  146   2HB   ARG  22          1HB       ARG  22  -0.098   8.637   8.637
  147   1HG   ARG  22          2HG       ARG  22  -0.379  10.752  10.752
  148   2HG   ARG  22          1HG       ARG  22  -1.946  10.539  10.539
  149   1HD   ARG  22          2HD       ARG  22  -2.991   9.988   9.988
  150   2HD   ARG  22          1HD       ARG  22  -1.448   9.784   9.784
  151    HE   ARG  22           HE       ARG  22  -2.815  12.299  12.299
  152   1HH1  ARG  22          2HH1      ARG  22   0.287  10.796  10.796
  153   2HH1  ARG  22          1HH1      ARG  22   1.028  12.254  12.254
  154   1HH2  ARG  22          1HH2      ARG  22  -1.880  14.148  14.148
  155   2HH2  ARG  22          2HH2      ARG  22  -0.206  14.181  14.181
  156    H    SER  23           H        SER  23  -2.994   6.224   6.224
  157    HA   SER  23           HA       SER  23  -3.089   5.596   5.596
  158   1HB   SER  23          2HB       SER  23  -3.594   7.346   7.346
  159   2HB   SER  23          1HB       SER  23  -4.207   7.969   7.969
  160    HG   SER  23           HG       SER  23  -2.762   9.470   9.470
  161    H    GLY  24           H        GLY  24  -1.112   4.584   4.584
  162   1HA   GLY  24          2HA       GLY  24   0.867   3.730   3.730
  163   2HA   GLY  24          1HA       GLY  24   1.032   5.197   5.197
  164    H    LYS  25           H        LYS  25   0.472   6.450   6.450
  165    HA   LYS  25           HA       LYS  25   3.368   6.458   6.458
  166   1HB   LYS  25          2HB       LYS  25   3.073   8.653   8.653
  167   2HB   LYS  25          1HB       LYS  25   1.348   8.677   8.677
  168   1HG   LYS  25          2HG       LYS  25   1.784   8.762   8.762
  169   2HG   LYS  25          1HG       LYS  25   3.479   8.611   8.611
  170   1HD   LYS  25          2HD       LYS  25   1.658  10.884  10.884
  171   2HD   LYS  25          1HD       LYS  25   2.640  11.011  11.011
  172   1HE   LYS  25          2HE       LYS  25   4.475  10.215  10.215
  173   2HE   LYS  25          1HE       LYS  25   3.418  11.374  11.374
  174   1HZ   LYS  25          1HZ       LYS  25   3.812  12.858  12.858
  175   2HZ   LYS  25          3HZ       LYS  25   4.998  11.767  11.767
  176   3HZ   LYS  25          2HZ       LYS  25   5.181  12.556  12.556
  177    H    CYS  26           H        CYS  26   3.949   6.566   6.566
  178    HA   CYS  26           HA       CYS  26   2.400   4.932   4.932
  179   1HB   CYS  26          2HB       CYS  26   5.068   6.275   6.275
  180   2HB   CYS  26          1HB       CYS  26   4.427   5.639   5.639
  181   1HN   NH2  27          1HT       CYS  26   0.561   5.957   5.957
  182   2HN   NH2  27          2HT       CYS  26   0.577   7.479   7.479

  Start of MODEL    7
    1   1H    CYS   1          3H        CYS   1  12.170  -0.395  -0.395
    2   2H    CYS   1          2H        CYS   1  11.627  -2.003  -2.003
    3   3H    CYS   1          1H        CYS   1  12.292  -1.271  -1.271
    4    HA   CYS   1           HA       CYS   1   9.954  -1.329  -1.329
    5   1HB   CYS   1          2HB       CYS   1   8.652   0.089   0.089
    6   2HB   CYS   1          1HB       CYS   1   9.039  -1.561  -1.561
    7    H    LYS   2           H        LYS   2   8.555   0.679   0.679
    8    HA   LYS   2           HA       LYS   2  10.270   2.648   2.648
    9   1HB   LYS   2          2HB       LYS   2   7.268   2.200   2.200
   10   2HB   LYS   2          1HB       LYS   2   8.071   3.456   3.456
   11   1HG   LYS   2          2HG       LYS   2   7.626   1.449   1.449
   12   2HG   LYS   2          1HG       LYS   2   9.337   1.855   1.855
   13   1HD   LYS   2          2HD       LYS   2   9.866  -0.007  -0.007
   14   2HD   LYS   2          1HD       LYS   2   8.204  -0.230  -0.230
   15   1HE   LYS   2          2HE       LYS   2   8.703  -1.944  -1.944
   16   2HE   LYS   2          1HE       LYS   2   7.671  -0.777  -0.777
   17   1HZ   LYS   2          3HZ       LYS   2   9.664   0.283   0.283
   18   2HZ   LYS   2          2HZ       LYS   2  10.623  -0.914  -0.914
   19   3HZ   LYS   2          1HZ       LYS   2   9.522  -1.337  -1.337
   20    H    LEU   3           H        LEU   3   9.473   4.999   4.999
   21    HA   LEU   3           HA       LEU   3   8.988   5.833   5.833
   22   1HB   LEU   3          2HB       LEU   3  11.275   6.236   6.236
   23   2HB   LEU   3          1HB       LEU   3  10.457   7.322   7.322
   24    HG   LEU   3           HG       LEU   3  11.690   8.326   8.326
   25   1HD1  LEU   3          3HD1      LEU   3   9.553   9.238   9.238
   26   2HD1  LEU   3          2HD1      LEU   3   8.930   9.391   9.391
   27   3HD1  LEU   3          1HD1      LEU   3  10.427  10.184  10.184
   28   1HD2  LEU   3          2HD2      LEU   3  10.684   6.603   6.603
   29   2HD2  LEU   3          1HD2      LEU   3  10.698   8.271   8.271
   30   3HD2  LEU   3          3HD2      LEU   3   9.207   7.554   7.554
   31    H    LYS   4           H        LYS   4   7.701   7.820   7.820
   32    HA   LYS   4           HA       LYS   4   5.295   7.771   7.771
   33   1HB   LYS   4          2HB       LYS   4   5.758   8.842   8.842
   34   2HB   LYS   4          1HB       LYS   4   6.427  10.211  10.211
   35   1HG   LYS   4          2HG       LYS   4   3.665   9.222   9.222
   36   2HG   LYS   4          1HG       LYS   4   3.836  10.113  10.113
   37   1HD   LYS   4          2HD       LYS   4   4.383  12.108  12.108
   38   2HD   LYS   4          1HD       LYS   4   5.123  11.342  11.342
   39   1HE   LYS   4          2HE       LYS   4   2.841  10.628  10.628
   40   2HE   LYS   4          1HE       LYS   4   2.138  11.480  11.480
   41   1HZ   LYS   4          3HZ       LYS   4   3.964  13.097  13.097
   42   2HZ   LYS   4          2HZ       LYS   4   2.667  12.537  12.537
   43   3HZ   LYS   4          1HZ       LYS   4   2.367  13.414  13.414
   44    H    GLY   5           H        GLY   5   4.810   8.531   8.531
   45   1HA   GLY   5          2HA       GLY   5   4.869  10.175  10.175
   46   2HA   GLY   5          1HA       GLY   5   6.342  10.792  10.792
   47    H    GLN   6           H        GLN   6   6.426   7.451   7.451
   48    HA   GLN   6           HA       GLN   6   8.136   7.392   7.392
   49   1HB   GLN   6          2HB       GLN   6   8.907   6.632   6.632
   50   2HB   GLN   6          1HB       GLN   6   7.857   5.244   5.244
   51   1HG   GLN   6          2HG       GLN   6   9.133   4.491   4.491
   52   2HG   GLN   6          1HG       GLN   6  10.044   5.995   5.995
   53   1HE2  GLN   6          2HE2      GLN   6  11.760   5.032   5.032
   54   2HE2  GLN   6          1HE2      GLN   6  10.780   6.332   6.332
   55    H    SER   7           H        SER   7   7.935   5.761   5.761
   56    HA   SER   7           HA       SER   7   5.325   5.163   5.163
   57   1HB   SER   7          2HB       SER   7   6.582   3.704   3.704
   58   2HB   SER   7          1HB       SER   7   7.222   5.346   5.346
   59    HG   SER   7           HG       SER   7   8.154   3.015   3.015
   60    H    CYS   8           H        CYS   8   3.947   3.698   3.698
   61    HA   CYS   8           HA       CYS   8   4.660   0.941   0.941
   62   1HB   CYS   8          2HB       CYS   8   3.495   1.083   1.083
   63   2HB   CYS   8          1HB       CYS   8   5.060   1.837   1.837
   64    H    ARG   9           H        ARG   9   2.447  -0.026  -0.026
   65    HA   ARG   9           HA       ARG   9   0.147   0.895   0.895
   66   1HB   ARG   9          2HB       ARG   9   1.326  -1.882  -1.882
   67   2HB   ARG   9          1HB       ARG   9  -0.359  -1.685  -1.685
   68   1HG   ARG   9          2HG       ARG   9   0.097  -1.065  -1.065
   69   2HG   ARG   9          1HG       ARG   9   1.372   0.035   0.035
   70   1HD   ARG   9          2HD       ARG   9   3.034  -1.518  -1.518
   71   2HD   ARG   9          1HD       ARG   9   2.075  -2.865  -2.865
   72    HE   ARG   9           HE       ARG   9   2.280  -1.980  -1.980
   73   1HH1  ARG   9          1HH2      ARG   9   0.269  -3.554  -3.554
   74   2HH1  ARG   9          2HH2      ARG   9  -0.608  -4.454  -4.454
   75   1HH2  ARG   9          2HH1      ARG   9   1.179  -3.104  -3.104
   76   2HH2  ARG   9          1HH1      ARG   9  -0.089  -4.195  -4.195
   77    H    LYS  10           H        LYS  10  -1.795   0.880   0.880
   78    HA   LYS  10           HA       LYS  10  -2.038   1.029   1.029
   79   1HB   LYS  10          2HB       LYS  10  -3.617   1.653   1.653
   80   2HB   LYS  10          1HB       LYS  10  -4.340   0.089   0.089
   81   1HG   LYS  10          2HG       LYS  10  -5.070   0.691   0.691
   82   2HG   LYS  10          1HG       LYS  10  -3.945   2.032   2.032
   83   1HD   LYS  10          2HD       LYS  10  -5.202   3.066   3.066
   84   2HD   LYS  10          1HD       LYS  10  -6.417   1.835   1.835
   85   1HE   LYS  10          2HE       LYS  10  -7.212   2.855   2.855
   86   2HE   LYS  10          1HE       LYS  10  -5.617   3.365   3.365
   87   1HZ   LYS  10          2HZ       LYS  10  -7.146   4.609   4.609
   88   2HZ   LYS  10          1HZ       LYS  10  -7.036   5.213   5.213
   89   3HZ   LYS  10          3HZ       LYS  10  -5.647   5.126   5.126
   90    H    THR  11           H        THR  11  -2.795  -0.245  -0.245
   91    HA   THR  11           HA       THR  11  -3.002  -2.114  -2.114
   92    HB   THR  11           HB       THR  11  -4.972  -2.322  -2.322
   93    HG1  THR  11           HG1      THR  11  -4.081  -4.290  -4.290
   94   1HG2  THR  11          2HG2      THR  11  -3.191  -4.121  -4.121
   95   2HG2  THR  11          1HG2      THR  11  -4.060  -5.174  -5.174
   96   3HG2  THR  11          3HG2      THR  11  -4.935  -4.225  -4.225
   97    H    SER  12           H        SER  12  -0.627  -1.968  -1.968
   98    HA   SER  12           HA       SER  12   0.230  -4.776  -4.776
   99   1HB   SER  12          2HB       SER  12   0.737  -2.935  -2.935
  100   2HB   SER  12          1HB       SER  12   2.055  -2.455  -2.455
  101    HG   SER  12           HG       SER  12   2.988  -4.083  -4.083
  102    H    TYR  13           H        TYR  13   0.439  -2.145  -2.145
  103    HA   TYR  13           HA       TYR  13   1.625  -1.663  -1.663
  104   1HB   TYR  13          2HB       TYR  13   1.327  -4.693  -4.693
  105   2HB   TYR  13          1HB       TYR  13   2.164  -3.905  -3.905
  106    HD1  TYR  13           HD2      TYR  13  -1.058  -4.200  -4.200
  107    HD2  TYR  13           HD1      TYR  13   0.965  -2.437  -2.437
  108    HE1  TYR  13           HE2      TYR  13  -3.212  -3.555  -3.555
  109    HE2  TYR  13           HE1      TYR  13  -1.190  -1.795  -1.795
  110    HH   TYR  13           HH       TYR  13  -3.391  -1.807  -1.807
  111    H    ASP  14           H        ASP  14   3.150  -1.914  -1.914
  112    HA   ASP  14           HA       ASP  14   5.736  -3.062  -3.062
  113   1HB   ASP  14          2HB       ASP  14   4.494  -1.468  -1.468
  114   2HB   ASP  14          1HB       ASP  14   6.238  -1.385  -1.385
  115    H    CYS  15           H        CYS  15   4.301   0.105   0.105
  116    HA   CYS  15           HA       CYS  15   6.820   1.433   1.433
  117   1HB   CYS  15          2HB       CYS  15   4.251   2.623   2.623
  118   2HB   CYS  15          1HB       CYS  15   5.631   3.365   3.365
  119    H    CYS  16           H        CYS  16   7.659   2.121   2.121
  120    HA   CYS  16           HA       CYS  16   7.807   0.654   0.654
  121   1HB   CYS  16          2HB       CYS  16   8.474   3.346   3.346
  122   2HB   CYS  16          1HB       CYS  16   8.749   2.924   2.924
  123    H    SER  17           H        SER  17   6.425   3.719   3.719
  124    HA   SER  17           HA       SER  17   5.108   4.071   4.071
  125   1HB   SER  17          2HB       SER  17   4.048   6.080   6.080
  126   2HB   SER  17          1HB       SER  17   5.803   6.005   6.005
  127    HG   SER  17           HG       SER  17   3.915   4.853   4.853
  128    H    GLY  18           H        GLY  18   4.220   1.955   1.955
  129   1HA   GLY  18          2HA       GLY  18   2.019   0.812   0.812
  130   2HA   GLY  18          1HA       GLY  18   1.284   2.334   2.334
  131    H    SER  19           H        SER  19   0.447   2.393   2.393
  132    HA   SER  19           HA       SER  19   1.581   0.718   0.718
  133   1HB   SER  19          2HB       SER  19  -1.440   0.962   0.962
  134   2HB   SER  19          1HB       SER  19  -0.564  -0.202  -0.202
  135    HG   SER  19           HG       SER  19  -0.407   0.015   0.015
  136    H    CYS  20           H        CYS  20   0.299   1.247   1.247
  137    HA   CYS  20           HA       CYS  20   0.666   4.107   4.107
  138   1HB   CYS  20          2HB       CYS  20   0.997   1.715   1.715
  139   2HB   CYS  20          1HB       CYS  20  -0.412   2.418   2.418
  140    H    GLY  21           H        GLY  21  -1.056   4.913   4.913
  141   1HA   GLY  21          2HA       GLY  21  -3.675   4.390   4.390
  142   2HA   GLY  21          1HA       GLY  21  -3.645   4.943   4.943
  143    H    ARG  22           H        ARG  22  -1.282   6.506   6.506
  144    HA   ARG  22           HA       ARG  22  -2.906   8.981   8.981
  145   1HB   ARG  22          2HB       ARG  22   0.054   8.382   8.382
  146   2HB   ARG  22          1HB       ARG  22  -0.523   9.997   9.997
  147   1HG   ARG  22          2HG       ARG  22  -1.373   8.448   8.448
  148   2HG   ARG  22          1HG       ARG  22   0.025   9.499   9.499
  149   1HD   ARG  22          2HD       ARG  22  -1.929  11.171  11.171
  150   2HD   ARG  22          1HD       ARG  22  -2.860  10.207  10.207
  151    HE   ARG  22           HE       ARG  22  -1.744  11.250  11.250
  152   1HH1  ARG  22          2HH1      ARG  22  -0.084  11.832  11.832
  153   2HH1  ARG  22          1HH1      ARG  22   0.993  12.995  12.995
  154   1HH2  ARG  22          1HH2      ARG  22  -0.390  12.716  12.716
  155   2HH2  ARG  22          2HH2      ARG  22   0.817  13.506  13.506
  156    H    SER  23           H        SER  23  -3.135   6.839   6.839
  157    HA   SER  23           HA       SER  23  -3.602   6.428   6.428
  158   1HB   SER  23          2HB       SER  23  -3.904   8.296   8.296
  159   2HB   SER  23          1HB       SER  23  -3.928   9.114   9.114
  160    HG   SER  23           HG       SER  23  -2.111  10.023  10.023
  161    H    GLY  24           H        GLY  24  -1.092   5.831   5.831
  162   1HA   GLY  24          2HA       GLY  24   0.427   4.300   4.300
  163   2HA   GLY  24          1HA       GLY  24   0.771   5.717   5.717
  164    H    LYS  25           H        LYS  25   0.384   6.936   6.936
  165    HA   LYS  25           HA       LYS  25   3.301   6.762   6.762
  166   1HB   LYS  25          2HB       LYS  25   3.036   8.976   8.976
  167   2HB   LYS  25          1HB       LYS  25   1.335   9.035   9.035
  168   1HG   LYS  25          2HG       LYS  25   1.914   8.916   8.916
  169   2HG   LYS  25          1HG       LYS  25   3.589   8.872   8.872
  170   1HD   LYS  25          2HD       LYS  25   1.527  11.101  11.101
  171   2HD   LYS  25          1HD       LYS  25   2.841  11.198  11.198
  172   1HE   LYS  25          2HE       LYS  25   3.923  12.308  12.308
  173   2HE   LYS  25          1HE       LYS  25   4.251  10.707  10.707
  174   1HZ   LYS  25          1HZ       LYS  25   1.907  12.382  12.382
  175   2HZ   LYS  25          3HZ       LYS  25   3.286  12.160  12.160
  176   3HZ   LYS  25          2HZ       LYS  25   2.256  10.849  10.849
  177    H    CYS  26           H        CYS  26   3.976   6.678   6.678
  178    HA   CYS  26           HA       CYS  26   2.498   4.912   4.912
  179   1HB   CYS  26          2HB       CYS  26   5.118   6.346   6.346
  180   2HB   CYS  26          1HB       CYS  26   4.491   5.614   5.614
  181   1HN   NH2  27          1HT       CYS  26   1.084   5.433   5.433
  182   2HN   NH2  27          2HT       CYS  26   0.859   6.952   6.952

  Start of MODEL    8
    1   1H    CYS   1          3H        CYS   1  12.572  -0.587  -0.587
    2   2H    CYS   1          2H        CYS   1  12.552   0.328   0.328
    3   3H    CYS   1          1H        CYS   1  12.194  -1.331  -1.331
    4    HA   CYS   1           HA       CYS   1  10.200  -0.998  -0.998
    5   1HB   CYS   1          2HB       CYS   1   9.015   0.521   0.521
    6   2HB   CYS   1          1HB       CYS   1   9.840  -0.850  -0.850
    7    H    LYS   2           H        LYS   2   8.532   0.920   0.920
    8    HA   LYS   2           HA       LYS   2   9.954   2.816   2.816
    9   1HB   LYS   2          2HB       LYS   2   6.941   2.506   2.506
   10   2HB   LYS   2          1HB       LYS   2   7.913   3.070   3.070
   11   1HG   LYS   2          2HG       LYS   2   8.190   0.203   0.203
   12   2HG   LYS   2          1HG       LYS   2   6.886   0.676   0.676
   13   1HD   LYS   2          2HD       LYS   2   8.797   1.753   1.753
   14   2HD   LYS   2          1HD       LYS   2   9.865   0.725   0.725
   15   1HE   LYS   2          2HE       LYS   2   8.580  -1.278  -1.278
   16   2HE   LYS   2          1HE       LYS   2   7.436  -0.266  -0.266
   17   1HZ   LYS   2          1HZ       LYS   2  10.327  -0.246  -0.246
   18   2HZ   LYS   2          3HZ       LYS   2   9.250  -1.328  -1.328
   19   3HZ   LYS   2          2HZ       LYS   2   9.051   0.346   0.346
   20    H    LEU   3           H        LEU   3  10.375   4.763   4.763
   21    HA   LEU   3           HA       LEU   3   9.462   5.878   5.878
   22   1HB   LEU   3          2HB       LEU   3  11.518   6.319   6.319
   23   2HB   LEU   3          1HB       LEU   3  10.456   7.552   7.552
   24    HG   LEU   3           HG       LEU   3  12.020   8.480   8.480
   25   1HD1  LEU   3          1HD1      LEU   3   9.459   9.124   9.124
   26   2HD1  LEU   3          3HD1      LEU   3   9.430   8.526   8.526
   27   3HD1  LEU   3          2HD1      LEU   3  10.502   9.847   9.847
   28   1HD2  LEU   3          3HD2      LEU   3  12.153   6.251   6.251
   29   2HD2  LEU   3          2HD2      LEU   3  12.251   7.754   7.754
   30   3HD2  LEU   3          1HD2      LEU   3  10.753   6.843   6.843
   31    H    LYS   4           H        LYS   4   7.940   7.592   7.592
   32    HA   LYS   4           HA       LYS   4   5.484   7.424   7.424
   33   1HB   LYS   4          2HB       LYS   4   6.008   8.362   8.362
   34   2HB   LYS   4          1HB       LYS   4   6.431   9.858   9.858
   35   1HG   LYS   4          2HG       LYS   4   3.738   8.478   8.478
   36   2HG   LYS   4          1HG       LYS   4   3.994   9.570   9.570
   37   1HD   LYS   4          2HD       LYS   4   4.797  11.307  11.307
   38   2HD   LYS   4          1HD       LYS   4   4.103  10.228  10.228
   39   1HE   LYS   4          2HE       LYS   4   2.381  11.812  11.812
   40   2HE   LYS   4          1HE       LYS   4   1.916  10.323  10.323
   41   1HZ   LYS   4          1HZ       LYS   4   3.454  12.475  12.475
   42   2HZ   LYS   4          3HZ       LYS   4   1.758  12.379  12.379
   43   3HZ   LYS   4          2HZ       LYS   4   2.695  11.141  11.141
   44    H    GLY   5           H        GLY   5   4.982   8.174   8.174
   45   1HA   GLY   5          2HA       GLY   5   4.794   9.937   9.937
   46   2HA   GLY   5          1HA       GLY   5   6.246  10.649  10.649
   47    H    GLN   6           H        GLN   6   6.455   7.293   7.293
   48    HA   GLN   6           HA       GLN   6   8.076   7.409   7.409
   49   1HB   GLN   6          2HB       GLN   6   9.093   6.670   6.670
   50   2HB   GLN   6          1HB       GLN   6   8.078   5.242   5.242
   51   1HG   GLN   6          2HG       GLN   6   9.175   4.597   4.597
   52   2HG   GLN   6          1HG       GLN   6  10.150   6.062   6.062
   53   1HE2  GLN   6          2HE2      GLN   6  11.978   4.811   4.811
   54   2HE2  GLN   6          1HE2      GLN   6  11.142   6.221   6.221
   55    H    SER   7           H        SER   7   8.038   5.543   5.543
   56    HA   SER   7           HA       SER   7   5.476   4.876   4.876
   57   1HB   SER   7          2HB       SER   7   6.846   3.185   3.185
   58   2HB   SER   7          1HB       SER   7   7.377   4.865   4.865
   59    HG   SER   7           HG       SER   7   8.388   3.347   3.347
   60    H    CYS   8           H        CYS   8   4.082   3.485   3.485
   61    HA   CYS   8           HA       CYS   8   4.675   0.801   0.801
   62   1HB   CYS   8          2HB       CYS   8   3.461   1.122   1.122
   63   2HB   CYS   8          1HB       CYS   8   4.881   2.131   2.131
   64    H    ARG   9           H        ARG   9   2.295   0.070   0.070
   65    HA   ARG   9           HA       ARG   9   0.174   0.937   0.937
   66   1HB   ARG   9          2HB       ARG   9   1.261  -1.888  -1.888
   67   2HB   ARG   9          1HB       ARG   9  -0.361  -1.608  -1.608
   68   1HG   ARG   9          2HG       ARG   9   0.829  -0.003  -0.003
   69   2HG   ARG   9          1HG       ARG   9   2.288  -0.860  -0.860
   70   1HD   ARG   9          2HD       ARG   9  -0.230  -2.317  -2.317
   71   2HD   ARG   9          1HD       ARG   9   1.020  -1.796  -1.796
   72    HE   ARG   9           HE       ARG   9   2.292  -3.225  -3.225
   73   1HH1  ARG   9          1HH2      ARG   9   0.064  -3.726  -3.726
   74   2HH1  ARG   9          2HH2      ARG   9   0.530  -5.377  -5.377
   75   1HH2  ARG   9          2HH1      ARG   9   2.899  -5.316  -5.316
   76   2HH2  ARG   9          1HH1      ARG   9   2.159  -6.293  -6.293
   77    H    LYS  10           H        LYS  10  -1.861   0.763   0.763
   78    HA   LYS  10           HA       LYS  10  -2.235   0.969   0.969
   79   1HB   LYS  10          2HB       LYS  10  -4.690   0.661   0.661
   80   2HB   LYS  10          1HB       LYS  10  -3.896   1.877   1.877
   81   1HG   LYS  10          2HG       LYS  10  -3.762   0.411   0.411
   82   2HG   LYS  10          1HG       LYS  10  -4.247  -0.988  -0.988
   83   1HD   LYS  10          2HD       LYS  10  -6.472   0.002   0.002
   84   2HD   LYS  10          1HD       LYS  10  -6.002   1.453   1.453
   85   1HE   LYS  10          2HE       LYS  10  -5.727   0.168   0.168
   86   2HE   LYS  10          1HE       LYS  10  -6.054  -1.337  -1.337
   87   1HZ   LYS  10          2HZ       LYS  10  -8.049   0.760   0.760
   88   2HZ   LYS  10          1HZ       LYS  10  -7.905   0.025   0.025
   89   3HZ   LYS  10          3HZ       LYS  10  -8.240  -0.920  -0.920
   90    H    THR  11           H        THR  11  -3.013  -0.351  -0.351
   91    HA   THR  11           HA       THR  11  -3.356  -2.249  -2.249
   92    HB   THR  11           HB       THR  11  -4.952  -2.618  -2.618
   93    HG1  THR  11           HG1      THR  11  -5.948  -3.468  -3.468
   94   1HG2  THR  11          2HG2      THR  11  -3.087  -4.349  -4.349
   95   2HG2  THR  11          1HG2      THR  11  -3.648  -5.344  -5.344
   96   3HG2  THR  11          3HG2      THR  11  -4.758  -4.869  -4.869
   97    H    SER  12           H        SER  12  -0.915  -2.131  -2.131
   98    HA   SER  12           HA       SER  12   0.220  -4.771  -4.771
   99   1HB   SER  12          2HB       SER  12   0.594  -2.898  -2.898
  100   2HB   SER  12          1HB       SER  12   1.981  -2.495  -2.495
  101    HG   SER  12           HG       SER  12   2.238  -4.900  -4.900
  102    H    TYR  13           H        TYR  13   0.424  -1.704  -1.704
  103    HA   TYR  13           HA       TYR  13   1.523  -0.861  -0.861
  104   1HB   TYR  13          2HB       TYR  13   1.511  -3.772  -3.772
  105   2HB   TYR  13          1HB       TYR  13   1.559  -2.395  -2.395
  106    HD1  TYR  13           HD2      TYR  13  -0.511  -0.588  -0.588
  107    HD2  TYR  13           HD1      TYR  13  -0.538  -4.845  -4.845
  108    HE1  TYR  13           HE2      TYR  13  -2.954  -0.576  -0.576
  109    HE2  TYR  13           HE1      TYR  13  -2.983  -4.825  -4.825
  110    HH   TYR  13           HH       TYR  13  -4.818  -3.597  -3.597
  111    H    ASP  14           H        ASP  14   3.224  -1.970  -1.970
  112    HA   ASP  14           HA       ASP  14   5.630  -3.065  -3.065
  113   1HB   ASP  14          2HB       ASP  14   4.862  -1.611  -1.611
  114   2HB   ASP  14          1HB       ASP  14   6.552  -1.952  -1.952
  115    H    CYS  15           H        CYS  15   4.295   0.028   0.028
  116    HA   CYS  15           HA       CYS  15   6.739   1.546   1.546
  117   1HB   CYS  15          2HB       CYS  15   4.127   2.385   2.385
  118   2HB   CYS  15          1HB       CYS  15   5.370   3.367   3.367
  119    H    CYS  16           H        CYS  16   7.443   2.630   2.630
  120    HA   CYS  16           HA       CYS  16   8.251   1.119   1.119
  121   1HB   CYS  16          2HB       CYS  16   8.029   3.926   3.926
  122   2HB   CYS  16          1HB       CYS  16   8.699   3.502   3.502
  123    H    SER  17           H        SER  17   6.074   3.750   3.750
  124    HA   SER  17           HA       SER  17   4.893   3.406   3.406
  125   1HB   SER  17          2HB       SER  17   3.843   4.996   4.996
  126   2HB   SER  17          1HB       SER  17   3.311   5.196   5.196
  127    HG   SER  17           HG       SER  17   5.332   6.356   6.356
  128    H    GLY  18           H        GLY  18   4.497   1.711   1.711
  129   1HA   GLY  18          2HA       GLY  18   3.061   0.005   0.005
  130   2HA   GLY  18          1HA       GLY  18   2.460  -0.021  -0.021
  131    H    SER  19           H        SER  19   2.403   2.502   2.502
  132    HA   SER  19           HA       SER  19  -0.535   2.293   2.293
  133   1HB   SER  19          2HB       SER  19   0.033   5.124   5.124
  134   2HB   SER  19          1HB       SER  19  -1.012   4.117   4.117
  135    HG   SER  19           HG       SER  19   1.809   4.210   4.210
  136    H    CYS  20           H        CYS  20  -1.126   2.633   2.633
  137    HA   CYS  20           HA       CYS  20   0.232   4.420   4.420
  138   1HB   CYS  20          2HB       CYS  20   1.497   2.227   2.227
  139   2HB   CYS  20          1HB       CYS  20   0.025   1.457   1.457
  140    H    GLY  21           H        GLY  21  -0.840   4.573   4.573
  141   1HA   GLY  21          2HA       GLY  21  -2.857   3.883   3.883
  142   2HA   GLY  21          1HA       GLY  21  -3.776   3.966   3.966
  143    H    ARG  22           H        ARG  22  -1.248   6.193   6.193
  144    HA   ARG  22           HA       ARG  22  -3.164   8.463   8.463
  145   1HB   ARG  22          2HB       ARG  22  -0.167   8.822   8.822
  146   2HB   ARG  22          1HB       ARG  22  -1.373   9.829   9.829
  147   1HG   ARG  22          2HG       ARG  22  -0.683   7.037   7.037
  148   2HG   ARG  22          1HG       ARG  22   0.147   8.479   8.479
  149   1HD   ARG  22          2HD       ARG  22  -1.743   9.355   9.355
  150   2HD   ARG  22          1HD       ARG  22  -2.872   8.341   8.341
  151    HE   ARG  22           HE       ARG  22  -1.173   7.517   7.517
  152   1HH1  ARG  22          1HH2      ARG  22  -3.312   6.595   6.595
  153   2HH1  ARG  22          2HH2      ARG  22  -3.669   5.055   5.055
  154   1HH2  ARG  22          2HH1      ARG  22  -1.620   5.564   5.564
  155   2HH2  ARG  22          1HH1      ARG  22  -2.700   4.462   4.462
  156    H    SER  23           H        SER  23  -2.886   6.648   6.648
  157    HA   SER  23           HA       SER  23  -3.180   6.700   6.700
  158   1HB   SER  23          2HB       SER  23  -3.125   8.767   8.767
  159   2HB   SER  23          1HB       SER  23  -3.358   9.379   9.379
  160    HG   SER  23           HG       SER  23  -1.530  10.338  10.338
  161    H    GLY  24           H        GLY  24  -1.073   5.572   5.572
  162   1HA   GLY  24          2HA       GLY  24   0.609   4.142   4.142
  163   2HA   GLY  24          1HA       GLY  24   1.102   5.514   5.514
  164    H    LYS  25           H        LYS  25   0.607   7.004   7.004
  165    HA   LYS  25           HA       LYS  25   3.418   6.734   6.734
  166   1HB   LYS  25          2HB       LYS  25   3.112   8.989   8.989
  167   2HB   LYS  25          1HB       LYS  25   1.393   8.966   8.966
  168   1HG   LYS  25          2HG       LYS  25   1.775   8.850   8.850
  169   2HG   LYS  25          1HG       LYS  25   3.489   8.735   8.735
  170   1HD   LYS  25          2HD       LYS  25   3.542  11.037  11.037
  171   2HD   LYS  25          1HD       LYS  25   1.799  11.071  11.071
  172   1HE   LYS  25          2HE       LYS  25   1.506  11.742  11.742
  173   2HE   LYS  25          1HE       LYS  25   2.552  10.480  10.480
  174   1HZ   LYS  25          2HZ       LYS  25   4.448  11.905  11.905
  175   2HZ   LYS  25          1HZ       LYS  25   3.311  13.151  13.151
  176   3HZ   LYS  25          3HZ       LYS  25   3.569  12.469  12.469
  177    H    CYS  26           H        CYS  26   3.926   6.786   6.786
  178    HA   CYS  26           HA       CYS  26   2.276   4.978   4.978
  179   1HB   CYS  26          2HB       CYS  26   5.000   6.220   6.220
  180   2HB   CYS  26          1HB       CYS  26   4.254   5.435   5.435
  181   1HN   NH2  27          1HT       CYS  26   0.785   5.692   5.692
  182   2HN   NH2  27          2HT       CYS  26   0.750   7.225   7.225

  Start of MODEL    9
    1   1H    CYS   1          3H        CYS   1  12.502  -1.303  -1.303
    2   2H    CYS   1          2H        CYS   1  12.433  -0.455  -0.455
    3   3H    CYS   1          1H        CYS   1  11.863  -2.053  -2.053
    4    HA   CYS   1           HA       CYS   1  10.113  -1.380  -1.380
    5   1HB   CYS   1          2HB       CYS   1   8.899   0.112   0.112
    6   2HB   CYS   1          1HB       CYS   1   9.441  -1.430  -1.430
    7    H    LYS   2           H        LYS   2   8.731   0.735   0.735
    8    HA   LYS   2           HA       LYS   2  10.554   2.585   2.585
    9   1HB   LYS   2          2HB       LYS   2   7.531   2.787   2.787
   10   2HB   LYS   2          1HB       LYS   2   8.728   3.218   3.218
   11   1HG   LYS   2          2HG       LYS   2   8.301   0.317   0.317
   12   2HG   LYS   2          1HG       LYS   2   7.373   1.120   1.120
   13   1HD   LYS   2          2HD       LYS   2   9.433   1.675   1.675
   14   2HD   LYS   2          1HD       LYS   2  10.416   0.959   0.959
   15   1HE   LYS   2          2HE       LYS   2   9.317  -1.252  -1.252
   16   2HE   LYS   2          1HE       LYS   2   8.395  -0.526  -0.526
   17   1HZ   LYS   2          3HZ       LYS   2  10.509   0.080   0.080
   18   2HZ   LYS   2          2HZ       LYS   2  11.339  -0.755  -0.755
   19   3HZ   LYS   2          1HZ       LYS   2  10.307  -1.598  -1.598
   20    H    LEU   3           H        LEU   3   9.884   4.919   4.919
   21    HA   LEU   3           HA       LEU   3   9.462   5.908   5.908
   22   1HB   LEU   3          2HB       LEU   3  11.584   6.320   6.320
   23   2HB   LEU   3          1HB       LEU   3  10.614   7.305   7.305
   24    HG   LEU   3           HG       LEU   3  12.046   8.447   8.447
   25   1HD1  LEU   3          1HD1      LEU   3   9.688   9.203   9.203
   26   2HD1  LEU   3          3HD1      LEU   3   9.392   9.621   9.621
   27   3HD1  LEU   3          2HD1      LEU   3  10.797  10.261  10.261
   28   1HD2  LEU   3          3HD2      LEU   3  11.249   6.896   6.896
   29   2HD2  LEU   3          2HD2      LEU   3  11.224   8.608   8.608
   30   3HD2  LEU   3          1HD2      LEU   3   9.730   7.774   7.774
   31    H    LYS   4           H        LYS   4   8.316   8.061   8.061
   32    HA   LYS   4           HA       LYS   4   5.665   7.823   7.823
   33   1HB   LYS   4          2HB       LYS   4   6.447   9.174   9.174
   34   2HB   LYS   4          1HB       LYS   4   7.025  10.403  10.403
   35   1HG   LYS   4          2HG       LYS   4   4.141   9.431   9.431
   36   2HG   LYS   4          1HG       LYS   4   4.597  10.598  10.598
   37   1HD   LYS   4          2HD       LYS   4   5.667  11.941  11.941
   38   2HD   LYS   4          1HD       LYS   4   4.652  10.922  10.922
   39   1HE   LYS   4          2HE       LYS   4   2.640  11.673  11.673
   40   2HE   LYS   4          1HE       LYS   4   3.629  12.669  12.669
   41   1HZ   LYS   4          2HZ       LYS   4   3.546  12.952  12.952
   42   2HZ   LYS   4          1HZ       LYS   4   2.631  13.888  13.888
   43   3HZ   LYS   4          3HZ       LYS   4   4.328  13.977  13.977
   44    H    GLY   5           H        GLY   5   4.887   8.187   8.187
   45   1HA   GLY   5          2HA       GLY   5   4.402   8.974   8.974
   46   2HA   GLY   5          1HA       GLY   5   5.408  10.366  10.366
   47    H    GLN   6           H        GLN   6   6.328   7.001   7.001
   48    HA   GLN   6           HA       GLN   6   8.258   7.313   7.313
   49   1HB   GLN   6          2HB       GLN   6   9.031   6.531   6.531
   50   2HB   GLN   6          1HB       GLN   6   8.031   5.105   5.105
   51   1HG   GLN   6          2HG       GLN   6   9.439   4.213   4.213
   52   2HG   GLN   6          1HG       GLN   6  10.008   5.792   5.792
   53   1HE2  GLN   6          2HE2      GLN   6  12.131   3.754   3.754
   54   2HE2  GLN   6          1HE2      GLN   6  10.822   3.078   3.078
   55    H    SER   7           H        SER   7   8.302   5.521   5.521
   56    HA   SER   7           HA       SER   7   5.839   4.901   4.901
   57   1HB   SER   7          2HB       SER   7   7.236   3.207   3.207
   58   2HB   SER   7          1HB       SER   7   7.897   4.846   4.846
   59    HG   SER   7           HG       SER   7   8.583   2.676   2.676
   60    H    CYS   8           H        CYS   8   4.282   3.612   3.612
   61    HA   CYS   8           HA       CYS   8   4.753   0.860   0.860
   62   1HB   CYS   8          2HB       CYS   8   3.364   1.112   1.112
   63   2HB   CYS   8          1HB       CYS   8   4.763   2.136   2.136
   64    H    ARG   9           H        ARG   9   2.334   0.169   0.169
   65    HA   ARG   9           HA       ARG   9   0.300   0.925   0.925
   66   1HB   ARG   9          2HB       ARG   9   1.374  -1.872  -1.872
   67   2HB   ARG   9          1HB       ARG   9  -0.202  -1.620  -1.620
   68   1HG   ARG   9          2HG       ARG   9   0.818  -0.451  -0.451
   69   2HG   ARG   9          1HG       ARG   9   2.403  -0.557  -0.557
   70   1HD   ARG   9          2HD       ARG   9   2.529  -2.402  -2.402
   71   2HD   ARG   9          1HD       ARG   9   1.847  -3.204  -3.204
   72    HE   ARG   9           HE       ARG   9   0.438  -2.506  -2.506
   73   1HH1  ARG   9          1HH2      ARG   9   0.223  -3.684  -3.684
   74   2HH1  ARG   9          2HH2      ARG   9  -1.326  -4.410  -4.410
   75   1HH2  ARG   9          2HH1      ARG   9  -1.512  -3.415  -3.415
   76   2HH2  ARG   9          1HH1      ARG   9  -2.323  -4.255  -4.255
   77    H    LYS  10           H        LYS  10  -1.829   0.695   0.695
   78    HA   LYS  10           HA       LYS  10  -2.045   0.931   0.931
   79   1HB   LYS  10          2HB       LYS  10  -4.509   0.850   0.850
   80   2HB   LYS  10          1HB       LYS  10  -3.708   1.945   1.945
   81   1HG   LYS  10          2HG       LYS  10  -3.774   0.308   0.308
   82   2HG   LYS  10          1HG       LYS  10  -4.401  -0.933  -0.933
   83   1HD   LYS  10          2HD       LYS  10  -6.469   0.319   0.319
   84   2HD   LYS  10          1HD       LYS  10  -5.855   1.680   1.680
   85   1HE   LYS  10          2HE       LYS  10  -6.138  -1.099  -1.099
   86   2HE   LYS  10          1HE       LYS  10  -7.425   0.095   0.095
   87   1HZ   LYS  10          1HZ       LYS  10  -5.670   1.629   1.629
   88   2HZ   LYS  10          3HZ       LYS  10  -4.754   0.224   0.224
   89   3HZ   LYS  10          2HZ       LYS  10  -6.276   0.397   0.397
   90    H    THR  11           H        THR  11  -3.006  -0.546  -0.546
   91    HA   THR  11           HA       THR  11  -3.405  -2.625  -2.625
   92    HB   THR  11           HB       THR  11  -3.600  -3.928  -3.928
   93    HG1  THR  11           HG1      THR  11  -4.727  -2.100  -2.100
   94   1HG2  THR  11          2HG2      THR  11  -5.317  -3.967  -3.967
   95   2HG2  THR  11          1HG2      THR  11  -5.603  -4.906  -4.906
   96   3HG2  THR  11          3HG2      THR  11  -4.191  -5.245  -5.245
   97    H    SER  12           H        SER  12  -0.711  -1.918  -1.918
   98    HA   SER  12           HA       SER  12   0.611  -4.536  -4.536
   99   1HB   SER  12          2HB       SER  12   1.067  -2.831  -2.831
  100   2HB   SER  12          1HB       SER  12   1.923  -1.855  -1.855
  101    HG   SER  12           HG       SER  12   2.405  -4.586  -4.586
  102    H    TYR  13           H        TYR  13   0.645  -1.490  -1.490
  103    HA   TYR  13           HA       TYR  13   1.574  -0.763  -0.763
  104   1HB   TYR  13          2HB       TYR  13   1.519  -3.727  -3.727
  105   2HB   TYR  13          1HB       TYR  13   1.542  -2.429  -2.429
  106    HD1  TYR  13           HD1      TYR  13  -0.424  -0.604  -0.604
  107    HD2  TYR  13           HD2      TYR  13  -0.554  -4.654  -4.654
  108    HE1  TYR  13           HE1      TYR  13  -2.867  -0.493  -0.493
  109    HE2  TYR  13           HE2      TYR  13  -2.995  -4.537  -4.537
  110    HH   TYR  13           HH       TYR  13  -4.745  -1.559  -1.559
  111    H    ASP  14           H        ASP  14   3.333  -1.880  -1.880
  112    HA   ASP  14           HA       ASP  14   5.714  -3.004  -3.004
  113   1HB   ASP  14          2HB       ASP  14   6.661  -2.164  -2.164
  114   2HB   ASP  14          1HB       ASP  14   5.043  -2.765  -2.765
  115    H    CYS  15           H        CYS  15   4.514   0.208   0.208
  116    HA   CYS  15           HA       CYS  15   7.019   1.530   1.530
  117   1HB   CYS  15          2HB       CYS  15   4.441   2.620   2.620
  118   2HB   CYS  15          1HB       CYS  15   5.764   3.442   3.442
  119    H    CYS  16           H        CYS  16   7.663   2.389   2.389
  120    HA   CYS  16           HA       CYS  16   7.976   0.633   0.633
  121   1HB   CYS  16          2HB       CYS  16   8.231   3.476   3.476
  122   2HB   CYS  16          1HB       CYS  16   8.625   2.894   2.894
  123    H    SER  17           H        SER  17   6.234   3.577   3.577
  124    HA   SER  17           HA       SER  17   4.619   3.112   3.112
  125   1HB   SER  17          2HB       SER  17   3.469   5.256   5.256
  126   2HB   SER  17          1HB       SER  17   5.228   5.429   5.429
  127    HG   SER  17           HG       SER  17   3.439   4.788   4.788
  128    H    GLY  18           H        GLY  18   4.384   2.009   2.009
  129   1HA   GLY  18          2HA       GLY  18   2.747   0.824   0.824
  130   2HA   GLY  18          1HA       GLY  18   1.968   0.539   0.539
  131    H    SER  19           H        SER  19   2.713   3.630   3.630
  132    HA   SER  19           HA       SER  19   0.090   4.721   4.721
  133   1HB   SER  19          2HB       SER  19   2.761   5.689   5.689
  134   2HB   SER  19          1HB       SER  19   1.342   6.647   6.647
  135    HG   SER  19           HG       SER  19   2.079   5.689   5.689
  136    H    CYS  20           H        CYS  20   1.635   3.348   3.348
  137    HA   CYS  20           HA       CYS  20   0.615   4.419   4.419
  138   1HB   CYS  20          2HB       CYS  20   1.807   2.114   2.114
  139   2HB   CYS  20          1HB       CYS  20   0.190   1.466   1.466
  140    H    GLY  21           H        GLY  21  -0.899   4.493   4.493
  141   1HA   GLY  21          2HA       GLY  21  -3.165   3.699   3.699
  142   2HA   GLY  21          1HA       GLY  21  -3.703   3.955   3.955
  143    H    ARG  22           H        ARG  22  -1.294   5.927   5.927
  144    HA   ARG  22           HA       ARG  22  -2.998   8.337   8.337
  145   1HB   ARG  22          2HB       ARG  22  -0.445   7.805   7.805
  146   2HB   ARG  22          1HB       ARG  22  -0.073   8.551   8.551
  147   1HG   ARG  22          2HG       ARG  22  -0.895  10.631  10.631
  148   2HG   ARG  22          1HG       ARG  22  -2.121   9.960   9.960
  149   1HD   ARG  22          2HD       ARG  22  -0.503  10.950  10.950
  150   2HD   ARG  22          1HD       ARG  22  -0.226   9.226   9.226
  151    HE   ARG  22           HE       ARG  22   1.682   9.477   9.477
  152   1HH1  ARG  22          2HH1      ARG  22   0.390  12.436  12.436
  153   2HH1  ARG  22          1HH1      ARG  22   1.852  13.304  13.304
  154   1HH2  ARG  22          1HH2      ARG  22   3.494  10.600  10.600
  155   2HH2  ARG  22          2HH2      ARG  22   3.622  12.268  12.268
  156    H    SER  23           H        SER  23  -3.210   6.388   6.388
  157    HA   SER  23           HA       SER  23  -4.001   6.408   6.408
  158   1HB   SER  23          2HB       SER  23  -4.045   8.407   8.407
  159   2HB   SER  23          1HB       SER  23  -3.863   9.116   9.116
  160    HG   SER  23           HG       SER  23  -1.954   8.707   8.707
  161    H    GLY  24           H        GLY  24  -1.349   5.609   5.609
  162   1HA   GLY  24          2HA       GLY  24  -0.130   3.892   3.892
  163   2HA   GLY  24          1HA       GLY  24   0.226   5.242   5.242
  164    H    LYS  25           H        LYS  25   0.294   6.605   6.605
  165    HA   LYS  25           HA       LYS  25   3.224   5.970   5.970
  166   1HB   LYS  25          2HB       LYS  25   2.362   8.470   8.470
  167   2HB   LYS  25          1HB       LYS  25   2.129   8.558   8.558
  168   1HG   LYS  25          2HG       LYS  25   4.287   9.325   9.325
  169   2HG   LYS  25          1HG       LYS  25   4.589   7.629   7.629
  170   1HD   LYS  25          2HD       LYS  25   5.861   7.786   7.786
  171   2HD   LYS  25          1HD       LYS  25   4.336   7.369   7.369
  172   1HE   LYS  25          2HE       LYS  25   5.140   9.268   9.268
  173   2HE   LYS  25          1HE       LYS  25   3.900   9.925   9.925
  174   1HZ   LYS  25          1HZ       LYS  25   6.777   9.873   9.873
  175   2HZ   LYS  25          3HZ       LYS  25   6.001  11.196  11.196
  176   3HZ   LYS  25          2HZ       LYS  25   5.536  10.688  10.688
  177    H    CYS  26           H        CYS  26   3.907   6.598   6.598
  178    HA   CYS  26           HA       CYS  26   2.399   5.038   5.038
  179   1HB   CYS  26          2HB       CYS  26   5.024   6.437   6.437
  180   2HB   CYS  26          1HB       CYS  26   4.372   5.673   5.673
  181   1HN   NH2  27          1HT       CYS  26   0.558   6.136   6.136
  182   2HN   NH2  27          2HT       CYS  26   0.595   7.670   7.670

  Start of MODEL   10
    1   1H    CYS   1          2H        CYS   1  12.450  -1.161  -1.161
    2   2H    CYS   1          1H        CYS   1  12.297  -0.505  -0.505
    3   3H    CYS   1          3H        CYS   1  11.802  -2.102  -2.102
    4    HA   CYS   1           HA       CYS   1  10.050  -1.348  -1.348
    5   1HB   CYS   1          2HB       CYS   1   8.812   0.064   0.064
    6   2HB   CYS   1          1HB       CYS   1   9.278  -1.557  -1.557
    7    H    LYS   2           H        LYS   2   8.619   0.785   0.785
    8    HA   LYS   2           HA       LYS   2  10.369   2.758   2.758
    9   1HB   LYS   2          2HB       LYS   2   7.353   2.983   2.983
   10   2HB   LYS   2          1HB       LYS   2   8.493   3.385   3.385
   11   1HG   LYS   2          2HG       LYS   2   7.901   0.521   0.521
   12   2HG   LYS   2          1HG       LYS   2   7.089   1.349   1.349
   13   1HD   LYS   2          2HD       LYS   2   9.288   1.700   1.700
   14   2HD   LYS   2          1HD       LYS   2  10.097   0.869   0.869
   15   1HE   LYS   2          2HE       LYS   2   8.691  -1.170  -1.170
   16   2HE   LYS   2          1HE       LYS   2   8.024  -0.330  -0.330
   17   1HZ   LYS   2          3HZ       LYS   2  10.915  -0.792  -0.792
   18   2HZ   LYS   2          2HZ       LYS   2   9.910  -1.807  -1.807
   19   3HZ   LYS   2          1HZ       LYS   2  10.158  -0.197  -0.197
   20    H    LEU   3           H        LEU   3   9.553   5.106   5.106
   21    HA   LEU   3           HA       LEU   3   9.229   5.836   5.836
   22   1HB   LEU   3          2HB       LEU   3  11.351   6.377   6.377
   23   2HB   LEU   3          1HB       LEU   3  10.376   7.450   7.450
   24    HG   LEU   3           HG       LEU   3  11.812   8.410   8.410
   25   1HD1  LEU   3          3HD1      LEU   3   9.388   9.260   9.260
   26   2HD1  LEU   3          2HD1      LEU   3   9.238   9.636   9.636
   27   3HD1  LEU   3          1HD1      LEU   3  10.600  10.248  10.248
   28   1HD2  LEU   3          3HD2      LEU   3  10.959   6.701   6.701
   29   2HD2  LEU   3          2HD2      LEU   3  10.962   8.368   8.368
   30   3HD2  LEU   3          1HD2      LEU   3   9.457   7.606   7.606
   31    H    LYS   4           H        LYS   4   8.123   8.060   8.060
   32    HA   LYS   4           HA       LYS   4   5.459   7.851   7.851
   33   1HB   LYS   4          2HB       LYS   4   6.452   9.130   9.130
   34   2HB   LYS   4          1HB       LYS   4   6.780  10.429  10.429
   35   1HG   LYS   4          2HG       LYS   4   4.625  10.979  10.979
   36   2HG   LYS   4          1HG       LYS   4   4.246  10.219  10.219
   37   1HD   LYS   4          2HD       LYS   4   2.773   9.090   9.090
   38   2HD   LYS   4          1HD       LYS   4   4.124   7.977   7.977
   39   1HE   LYS   4          2HE       LYS   4   4.998   9.047   9.047
   40   2HE   LYS   4          1HE       LYS   4   3.599  10.112  10.112
   41   1HZ   LYS   4          3HZ       LYS   4   3.490   7.155   7.155
   42   2HZ   LYS   4          2HZ       LYS   4   3.322   8.190   8.190
   43   3HZ   LYS   4          1HZ       LYS   4   2.167   8.214   8.214
   44    H    GLY   5           H        GLY   5   4.635   8.288   8.288
   45   1HA   GLY   5          2HA       GLY   5   4.149   9.069   9.069
   46   2HA   GLY   5          1HA       GLY   5   5.038  10.524  10.524
   47    H    GLN   6           H        GLN   6   6.126   7.192   7.192
   48    HA   GLN   6           HA       GLN   6   8.013   7.676   7.676
   49   1HB   GLN   6          2HB       GLN   6   8.820   7.041   7.041
   50   2HB   GLN   6          1HB       GLN   6   8.229   5.438   5.438
   51   1HG   GLN   6          2HG       GLN   6   9.739   5.840   5.840
   52   2HG   GLN   6          1HG       GLN   6  10.536   7.000   7.000
   53   1HE2  GLN   6          2HE2      GLN   6  11.932   4.507   4.507
   54   2HE2  GLN   6          1HE2      GLN   6  11.446   6.131   6.131
   55    H    SER   7           H        SER   7   8.330   5.630   5.630
   56    HA   SER   7           HA       SER   7   5.945   4.738   4.738
   57   1HB   SER   7          2HB       SER   7   7.495   3.037   3.037
   58   2HB   SER   7          1HB       SER   7   8.057   4.709   4.709
   59    HG   SER   7           HG       SER   7   9.718   3.443   3.443
   60    H    CYS   8           H        CYS   8   4.469   3.384   3.384
   61    HA   CYS   8           HA       CYS   8   5.058   0.767   0.767
   62   1HB   CYS   8          2HB       CYS   8   3.755   1.129   1.129
   63   2HB   CYS   8          1HB       CYS   8   4.983   2.363   2.363
   64    H    ARG   9           H        ARG   9   2.537   0.171   0.171
   65    HA   ARG   9           HA       ARG   9   0.618   0.755   0.755
   66   1HB   ARG   9          2HB       ARG   9   1.868  -1.208  -1.208
   67   2HB   ARG   9          1HB       ARG   9   1.611  -2.054  -2.054
   68   1HG   ARG   9          2HG       ARG   9  -0.612  -2.533  -2.533
   69   2HG   ARG   9          1HG       ARG   9  -0.866  -1.051  -1.051
   70   1HD   ARG   9          2HD       ARG   9   0.580  -2.058  -2.058
   71   2HD   ARG   9          1HD       ARG   9   0.532  -3.570  -3.570
   72    HE   ARG   9           HE       ARG   9  -1.685  -3.862  -3.862
   73   1HH1  ARG   9          1HH2      ARG   9  -0.726  -0.558  -0.558
   74   2HH1  ARG   9          2HH2      ARG   9  -2.180  -0.140  -0.140
   75   1HH2  ARG   9          2HH1      ARG   9  -3.530  -3.346  -3.346
   76   2HH2  ARG   9          1HH1      ARG   9  -3.791  -1.736  -1.736
   77    H    LYS  10           H        LYS  10  -1.426   0.766   0.766
   78    HA   LYS  10           HA       LYS  10  -2.058   0.932   0.932
   79   1HB   LYS  10          2HB       LYS  10  -4.430   0.762   0.762
   80   2HB   LYS  10          1HB       LYS  10  -3.512   1.823   1.823
   81   1HG   LYS  10          2HG       LYS  10  -3.348  -0.877  -0.877
   82   2HG   LYS  10          1HG       LYS  10  -5.024  -0.530  -0.530
   83   1HD   LYS  10          2HD       LYS  10  -4.810   1.619   1.619
   84   2HD   LYS  10          1HD       LYS  10  -3.167   1.160   1.160
   85   1HE   LYS  10          2HE       LYS  10  -4.354  -1.098  -1.098
   86   2HE   LYS  10          1HE       LYS  10  -5.770  -0.064  -0.064
   87   1HZ   LYS  10          1HZ       LYS  10  -3.242   0.821   0.821
   88   2HZ   LYS  10          3HZ       LYS  10  -4.227  -0.288  -0.288
   89   3HZ   LYS  10          2HZ       LYS  10  -4.835   1.243   1.243
   90    H    THR  11           H        THR  11  -3.067  -0.408  -0.408
   91    HA   THR  11           HA       THR  11  -3.259  -2.335  -2.335
   92    HB   THR  11           HB       THR  11  -4.741  -4.079  -4.079
   93    HG1  THR  11           HG1      THR  11  -3.446  -4.038  -4.038
   94   1HG2  THR  11          3HG2      THR  11  -5.724  -1.697  -1.697
   95   2HG2  THR  11          2HG2      THR  11  -5.440  -1.414  -1.414
   96   3HG2  THR  11          1HG2      THR  11  -6.552  -2.674  -2.674
   97    H    SER  12           H        SER  12  -0.785  -2.084  -2.084
   98    HA   SER  12           HA       SER  12   0.108  -4.930  -4.930
   99   1HB   SER  12          2HB       SER  12   0.266  -3.333  -3.333
  100   2HB   SER  12          1HB       SER  12   1.685  -2.673  -2.673
  101    HG   SER  12           HG       SER  12   1.556  -4.888  -4.888
  102    H    TYR  13           H        TYR  13   0.345  -1.970  -1.970
  103    HA   TYR  13           HA       TYR  13   1.651  -1.047  -1.047
  104   1HB   TYR  13          2HB       TYR  13   1.928  -3.951  -3.951
  105   2HB   TYR  13          1HB       TYR  13   1.915  -2.559  -2.559
  106    HD1  TYR  13           HD2      TYR  13  -0.255  -1.089  -1.089
  107    HD2  TYR  13           HD1      TYR  13  -0.092  -5.031  -5.031
  108    HE1  TYR  13           HE2      TYR  13  -2.698  -1.239  -1.239
  109    HE2  TYR  13           HE1      TYR  13  -2.532  -5.175  -5.175
  110    HH   TYR  13           HH       TYR  13  -4.424  -4.137  -4.137
  111    H    ASP  14           H        ASP  14   3.162  -1.647  -1.647
  112    HA   ASP  14           HA       ASP  14   5.697  -2.810  -2.810
  113   1HB   ASP  14          2HB       ASP  14   4.584  -0.839  -0.839
  114   2HB   ASP  14          1HB       ASP  14   6.325  -1.007  -1.007
  115    H    CYS  15           H        CYS  15   4.443   0.391   0.391
  116    HA   CYS  15           HA       CYS  15   6.922   1.641   1.641
  117   1HB   CYS  15          2HB       CYS  15   4.351   2.630   2.630
  118   2HB   CYS  15          1HB       CYS  15   5.679   3.504   3.504
  119    H    CYS  16           H        CYS  16   7.643   2.274   2.274
  120    HA   CYS  16           HA       CYS  16   7.881   0.414   0.414
  121   1HB   CYS  16          2HB       CYS  16   8.287   3.257   3.257
  122   2HB   CYS  16          1HB       CYS  16   8.663   2.562   2.562
  123    H    SER  17           H        SER  17   6.318   3.464   3.464
  124    HA   SER  17           HA       SER  17   4.741   3.108   3.108
  125   1HB   SER  17          2HB       SER  17   3.676   5.284   5.284
  126   2HB   SER  17          1HB       SER  17   5.432   5.378   5.378
  127    HG   SER  17           HG       SER  17   3.456   4.869   4.869
  128    H    GLY  18           H        GLY  18   4.324   2.020   2.020
  129   1HA   GLY  18          2HA       GLY  18   2.598   0.862   0.862
  130   2HA   GLY  18          1HA       GLY  18   1.881   0.626   0.626
  131    H    SER  19           H        SER  19   2.640   3.716   3.716
  132    HA   SER  19           HA       SER  19   0.020   4.813   4.813
  133   1HB   SER  19          2HB       SER  19   2.655   5.797   5.797
  134   2HB   SER  19          1HB       SER  19   1.208   6.758   6.758
  135    HG   SER  19           HG       SER  19   2.301   5.913   5.913
  136    H    CYS  20           H        CYS  20   1.575   3.473   3.473
  137    HA   CYS  20           HA       CYS  20   0.634   4.377   4.377
  138   1HB   CYS  20          2HB       CYS  20   1.643   2.022   2.022
  139   2HB   CYS  20          1HB       CYS  20   0.005   1.492   1.492
  140    H    GLY  21           H        GLY  21  -0.874   4.818   4.818
  141   1HA   GLY  21          2HA       GLY  21  -3.220   4.010   4.010
  142   2HA   GLY  21          1HA       GLY  21  -3.705   4.483   4.483
  143    H    ARG  22           H        ARG  22  -1.133   6.156   6.156
  144    HA   ARG  22           HA       ARG  22  -2.702   8.663   8.663
  145   1HB   ARG  22          2HB       ARG  22   0.219   7.936   7.936
  146   2HB   ARG  22          1HB       ARG  22  -0.161   9.503   9.503
  147   1HG   ARG  22          2HG       ARG  22  -1.480   8.603   8.603
  148   2HG   ARG  22          1HG       ARG  22   0.146   9.258   9.258
  149   1HD   ARG  22          2HD       ARG  22  -0.585  11.344  11.344
  150   2HD   ARG  22          1HD       ARG  22  -2.221  10.723  10.723
  151    HE   ARG  22           HE       ARG  22  -1.732  10.440  10.440
  152   1HH1  ARG  22          2HH1      ARG  22  -1.698  13.021  13.021
  153   2HH1  ARG  22          1HH1      ARG  22  -2.145  14.222  14.222
  154   1HH2  ARG  22          1HH2      ARG  22  -2.298  11.942  11.942
  155   2HH2  ARG  22          2HH2      ARG  22  -2.489  13.603  13.603
  156    H    SER  23           H        SER  23  -2.995   6.579   6.579
  157    HA   SER  23           HA       SER  23  -3.627   6.370   6.370
  158   1HB   SER  23          2HB       SER  23  -3.602   8.267   8.267
  159   2HB   SER  23          1HB       SER  23  -3.476   9.094   9.094
  160    HG   SER  23           HG       SER  23  -1.581   9.735   9.735
  161    H    GLY  24           H        GLY  24  -1.340   5.327   5.327
  162   1HA   GLY  24          2HA       GLY  24   0.007   3.578   3.578
  163   2HA   GLY  24          1HA       GLY  24   0.462   4.785   4.785
  164    H    LYS  25           H        LYS  25   0.476   6.670   6.670
  165    HA   LYS  25           HA       LYS  25   3.363   6.105   6.105
  166   1HB   LYS  25          2HB       LYS  25   2.287   8.557   8.557
  167   2HB   LYS  25          1HB       LYS  25   2.049   8.554   8.554
  168   1HG   LYS  25          2HG       LYS  25   4.140   9.495   9.495
  169   2HG   LYS  25          1HG       LYS  25   4.557   7.809   7.809
  170   1HD   LYS  25          2HD       LYS  25   5.803   8.000   8.000
  171   2HD   LYS  25          1HD       LYS  25   4.290   7.746   7.746
  172   1HE   LYS  25          2HE       LYS  25   5.390  10.499  10.499
  173   2HE   LYS  25          1HE       LYS  25   5.576   9.743   9.743
  174   1HZ   LYS  25          2HZ       LYS  25   3.032   9.529   9.529
  175   2HZ   LYS  25          1HZ       LYS  25   3.137  10.742  10.742
  176   3HZ   LYS  25          3HZ       LYS  25   3.728  11.030  11.030
  177    H    CYS  26           H        CYS  26   3.855   6.841   6.841
  178    HA   CYS  26           HA       CYS  26   2.384   5.071   5.071
  179   1HB   CYS  26          2HB       CYS  26   4.887   6.640   6.640
  180   2HB   CYS  26          1HB       CYS  26   4.217   5.770   5.770
  181   1HN   NH2  27          1HT       CYS  26   0.376   6.121   6.121
  182   2HN   NH2  27          2HT       CYS  26   0.294   7.569   7.569

  Start of MODEL   11
    1   1H    CYS   1          3H        CYS   1  12.518   0.118   0.118
    2   2H    CYS   1          2H        CYS   1  12.034  -1.502  -1.502
    3   3H    CYS   1          1H        CYS   1  12.522  -0.907  -0.907
    4    HA   CYS   1           HA       CYS   1  10.149  -1.093  -1.093
    5   1HB   CYS   1          2HB       CYS   1   8.955   0.465   0.465
    6   2HB   CYS   1          1HB       CYS   1   9.653  -0.969  -0.969
    7    H    LYS   2           H        LYS   2   8.610   0.938   0.938
    8    HA   LYS   2           HA       LYS   2  10.217   2.738   2.738
    9   1HB   LYS   2          2HB       LYS   2   7.191   2.737   2.737
   10   2HB   LYS   2          1HB       LYS   2   8.259   3.142   3.142
   11   1HG   LYS   2          2HG       LYS   2   8.147   0.296   0.296
   12   2HG   LYS   2          1HG       LYS   2   6.999   0.892   0.892
   13   1HD   LYS   2          2HD       LYS   2   8.864   1.509   1.509
   14   2HD   LYS   2          1HD       LYS   2  10.029   0.950   0.950
   15   1HE   LYS   2          2HE       LYS   2   9.021  -1.344  -1.344
   16   2HE   LYS   2          1HE       LYS   2   7.915  -0.776  -0.776
   17   1HZ   LYS   2          3HZ       LYS   2  10.163  -0.004  -0.004
   18   2HZ   LYS   2          2HZ       LYS   2  10.781  -1.277  -1.277
   19   3HZ   LYS   2          1HZ       LYS   2   9.560  -1.579  -1.579
   20    H    LEU   3           H        LEU   3  10.251   4.912   4.912
   21    HA   LEU   3           HA       LEU   3   9.648   6.078   6.078
   22   1HB   LEU   3          2HB       LEU   3  11.694   6.523   6.523
   23   2HB   LEU   3          1HB       LEU   3  10.673   7.336   7.336
   24    HG   LEU   3           HG       LEU   3  11.987   8.811   8.811
   25   1HD1  LEU   3          3HD1      LEU   3   9.518   9.212   9.212
   26   2HD1  LEU   3          2HD1      LEU   3   9.202   9.638   9.638
   27   3HD1  LEU   3          1HD1      LEU   3  10.482  10.446  10.446
   28   1HD2  LEU   3          2HD2      LEU   3  11.491   7.354   7.354
   29   2HD2  LEU   3          1HD2      LEU   3  11.319   9.085   9.085
   30   3HD2  LEU   3          3HD2      LEU   3   9.894   8.082   8.082
   31    H    LYS   4           H        LYS   4   8.125   7.773   7.773
   32    HA   LYS   4           HA       LYS   4   5.623   7.541   7.541
   33   1HB   LYS   4          2HB       LYS   4   6.074   8.447   8.447
   34   2HB   LYS   4          1HB       LYS   4   6.555   9.954   9.954
   35   1HG   LYS   4          2HG       LYS   4   4.266  10.337  10.337
   36   2HG   LYS   4          1HG       LYS   4   4.224   9.842   9.842
   37   1HD   LYS   4          2HD       LYS   4   2.544   8.476   8.476
   38   2HD   LYS   4          1HD       LYS   4   3.909   7.388   7.388
   39   1HE   LYS   4          2HE       LYS   4   2.724   7.355   7.355
   40   2HE   LYS   4          1HE       LYS   4   4.239   8.202   8.202
   41   1HZ   LYS   4          1HZ       LYS   4   1.827   9.702   9.702
   42   2HZ   LYS   4          3HZ       LYS   4   2.056   9.206   9.206
   43   3HZ   LYS   4          2HZ       LYS   4   3.193  10.224  10.224
   44    H    GLY   5           H        GLY   5   5.418   7.993   7.993
   45   1HA   GLY   5          2HA       GLY   5   4.941   9.875   9.875
   46   2HA   GLY   5          1HA       GLY   5   6.459  10.552  10.552
   47    H    GLN   6           H        GLN   6   6.541   7.193   7.193
   48    HA   GLN   6           HA       GLN   6   8.102   7.150   7.150
   49   1HB   GLN   6          2HB       GLN   6   9.179   6.374   6.374
   50   2HB   GLN   6          1HB       GLN   6   7.929   5.164   5.164
   51   1HG   GLN   6          2HG       GLN   6   9.976   4.164   4.164
   52   2HG   GLN   6          1HG       GLN   6   8.686   4.068   4.068
   53   1HE2  GLN   6          2HE2      GLN   6  11.703   6.816   6.816
   54   2HE2  GLN   6          1HE2      GLN   6  11.276   6.375   6.375
   55    H    SER   7           H        SER   7   7.878   5.469   5.469
   56    HA   SER   7           HA       SER   7   5.303   4.933   4.933
   57   1HB   SER   7          2HB       SER   7   6.548   3.198   3.198
   58   2HB   SER   7          1HB       SER   7   7.216   4.831   4.831
   59    HG   SER   7           HG       SER   7   8.043   2.694   2.694
   60    H    CYS   8           H        CYS   8   3.789   3.629   3.629
   61    HA   CYS   8           HA       CYS   8   4.254   0.887   0.887
   62   1HB   CYS   8          2HB       CYS   8   3.157   1.192   1.192
   63   2HB   CYS   8          1HB       CYS   8   4.625   2.126   2.126
   64    H    ARG   9           H        ARG   9   1.884   0.258   0.258
   65    HA   ARG   9           HA       ARG   9  -0.351   1.381   1.381
   66   1HB   ARG   9          2HB       ARG   9   0.690  -0.216  -0.216
   67   2HB   ARG   9          1HB       ARG   9   0.602  -1.497  -1.497
   68   1HG   ARG   9          2HG       ARG   9  -1.758  -1.602  -1.602
   69   2HG   ARG   9          1HG       ARG   9  -1.907  -0.001  -0.001
   70   1HD   ARG   9          2HD       ARG   9  -2.355  -1.619  -1.619
   71   2HD   ARG   9          1HD       ARG   9  -0.775  -0.921  -0.921
   72    HE   ARG   9           HE       ARG   9  -0.389  -3.222  -3.222
   73   1HH1  ARG   9          1HH2      ARG   9  -1.479  -2.330  -2.330
   74   2HH1  ARG   9          2HH2      ARG   9  -0.981  -3.825  -3.825
   75   1HH2  ARG   9          1HH1      ARG   9   0.010  -5.431  -5.431
   76   2HH2  ARG   9          2HH1      ARG   9   0.248  -5.125  -5.125
   77    H    LYS  10           H        LYS  10  -2.316   0.845   0.845
   78    HA   LYS  10           HA       LYS  10  -2.365   0.308   0.308
   79   1HB   LYS  10          2HB       LYS  10  -4.330   0.617   0.617
   80   2HB   LYS  10          1HB       LYS  10  -4.915  -0.510  -0.510
   81   1HG   LYS  10          2HG       LYS  10  -3.930   2.313   2.313
   82   2HG   LYS  10          1HG       LYS  10  -5.607   1.801   1.801
   83   1HD   LYS  10          2HD       LYS  10  -4.819   0.011   0.011
   84   2HD   LYS  10          1HD       LYS  10  -3.461   1.097   1.097
   85   1HE   LYS  10          2HE       LYS  10  -5.266   2.976   2.976
   86   2HE   LYS  10          1HE       LYS  10  -6.392   1.647   1.647
   87   1HZ   LYS  10          1HZ       LYS  10  -4.922   0.822   0.822
   88   2HZ   LYS  10          3HZ       LYS  10  -3.933   2.189   2.189
   89   3HZ   LYS  10          2HZ       LYS  10  -5.535   2.373   2.373
   90    H    THR  11           H        THR  11  -3.122  -1.400  -1.400
   91    HA   THR  11           HA       THR  11  -3.379  -3.579  -3.579
   92    HB   THR  11           HB       THR  11  -4.498  -3.740  -3.740
   93    HG1  THR  11           HG1      THR  11  -3.934  -5.716  -5.716
   94   1HG2  THR  11          3HG2      THR  11  -2.214  -4.797  -4.797
   95   2HG2  THR  11          2HG2      THR  11  -2.588  -6.134  -6.134
   96   3HG2  THR  11          1HG2      THR  11  -3.674  -5.733  -5.733
   97    H    SER  12           H        SER  12  -0.806  -2.641  -2.641
   98    HA   SER  12           HA       SER  12   0.869  -4.974  -4.974
   99   1HB   SER  12          2HB       SER  12   1.052  -3.321  -3.321
  100   2HB   SER  12          1HB       SER  12   1.824  -2.198  -2.198
  101    HG   SER  12           HG       SER  12   2.610  -4.899  -4.899
  102    H    TYR  13           H        TYR  13   0.575  -1.781  -1.781
  103    HA   TYR  13           HA       TYR  13   1.507  -0.734  -0.734
  104   1HB   TYR  13          2HB       TYR  13   1.334  -3.572  -3.572
  105   2HB   TYR  13          1HB       TYR  13   1.353  -2.109  -2.109
  106    HD1  TYR  13           HD2      TYR  13  -0.517  -0.284  -0.284
  107    HD2  TYR  13           HD1      TYR  13  -0.780  -4.535  -4.535
  108    HE1  TYR  13           HE2      TYR  13  -2.950  -0.145  -0.145
  109    HE2  TYR  13           HE1      TYR  13  -3.211  -4.388  -4.388
  110    HH   TYR  13           HH       TYR  13  -4.867  -1.259  -1.259
  111    H    ASP  14           H        ASP  14   3.361  -1.839  -1.839
  112    HA   ASP  14           HA       ASP  14   5.671  -2.972  -2.972
  113   1HB   ASP  14          2HB       ASP  14   4.925  -1.835  -1.835
  114   2HB   ASP  14          1HB       ASP  14   6.578  -1.436  -1.436
  115    H    CYS  15           H        CYS  15   4.377   0.150   0.150
  116    HA   CYS  15           HA       CYS  15   6.798   1.635   1.635
  117   1HB   CYS  15          2HB       CYS  15   4.205   2.497   2.497
  118   2HB   CYS  15          1HB       CYS  15   5.426   3.439   3.439
  119    H    CYS  16           H        CYS  16   7.454   2.618   2.618
  120    HA   CYS  16           HA       CYS  16   8.140   1.005   1.005
  121   1HB   CYS  16          2HB       CYS  16   8.034   3.834   3.834
  122   2HB   CYS  16          1HB       CYS  16   8.598   3.354   3.354
  123    H    SER  17           H        SER  17   6.025   3.686   3.686
  124    HA   SER  17           HA       SER  17   4.748   3.294   3.294
  125   1HB   SER  17          2HB       SER  17   3.124   5.069   5.069
  126   2HB   SER  17          1HB       SER  17   4.809   5.544   5.544
  127    HG   SER  17           HG       SER  17   3.125   4.205   4.205
  128    H    GLY  18           H        GLY  18   4.461   1.675   1.675
  129   1HA   GLY  18          2HA       GLY  18   3.059  -0.004  -0.004
  130   2HA   GLY  18          1HA       GLY  18   2.390  -0.088  -0.088
  131    H    SER  19           H        SER  19   2.418   2.662   2.662
  132    HA   SER  19           HA       SER  19  -0.505   2.390   2.390
  133   1HB   SER  19          2HB       SER  19  -0.065   5.195   5.195
  134   2HB   SER  19          1HB       SER  19  -1.024   4.075   4.075
  135    HG   SER  19           HG       SER  19   0.902   3.494   3.494
  136    H    CYS  20           H        CYS  20  -1.045   2.749   2.749
  137    HA   CYS  20           HA       CYS  20   0.323   4.614   4.614
  138   1HB   CYS  20          2HB       CYS  20   1.300   2.259   2.259
  139   2HB   CYS  20          1HB       CYS  20  -0.289   1.728   1.728
  140    H    GLY  21           H        GLY  21  -0.988   5.097   5.097
  141   1HA   GLY  21          2HA       GLY  21  -3.350   4.401   4.401
  142   2HA   GLY  21          1HA       GLY  21  -3.899   4.942   4.942
  143    H    ARG  22           H        ARG  22  -1.222   6.486   6.486
  144    HA   ARG  22           HA       ARG  22  -2.751   9.010   9.010
  145   1HB   ARG  22          2HB       ARG  22   0.218   8.400   8.400
  146   2HB   ARG  22          1HB       ARG  22  -0.438  10.023  10.023
  147   1HG   ARG  22          2HG       ARG  22  -0.935   8.074   8.074
  148   2HG   ARG  22          1HG       ARG  22   0.305   9.308   9.308
  149   1HD   ARG  22          2HD       ARG  22  -1.461  10.408  10.408
  150   2HD   ARG  22          1HD       ARG  22  -1.694  10.961  10.961
  151    HE   ARG  22           HE       ARG  22  -3.126   8.495   8.495
  152   1HH1  ARG  22          2HH1      ARG  22  -3.183  11.936  11.936
  153   2HH1  ARG  22          1HH1      ARG  22  -4.909  12.014  12.014
  154   1HH2  ARG  22          1HH2      ARG  22  -5.312   8.568   8.568
  155   2HH2  ARG  22          2HH2      ARG  22  -6.137  10.078  10.078
  156    H    SER  23           H        SER  23  -3.024   6.836   6.836
  157    HA   SER  23           HA       SER  23  -3.455   6.408   6.408
  158   1HB   SER  23          2HB       SER  23  -3.704   8.256   8.256
  159   2HB   SER  23          1HB       SER  23  -3.742   9.100   9.100
  160    HG   SER  23           HG       SER  23  -1.929  10.000  10.000
  161    H    GLY  24           H        GLY  24  -0.930   5.843   5.843
  162   1HA   GLY  24          2HA       GLY  24   0.578   4.262   4.262
  163   2HA   GLY  24          1HA       GLY  24   0.932   5.645   5.645
  164    H    LYS  25           H        LYS  25   0.501   6.677   6.677
  165    HA   LYS  25           HA       LYS  25   3.431   6.527   6.527
  166   1HB   LYS  25          2HB       LYS  25   3.334   8.743   8.743
  167   2HB   LYS  25          1HB       LYS  25   1.616   8.919   8.919
  168   1HG   LYS  25          2HG       LYS  25   2.144   8.860   8.860
  169   2HG   LYS  25          1HG       LYS  25   3.816   8.710   8.710
  170   1HD   LYS  25          2HD       LYS  25   1.916  11.020  11.020
  171   2HD   LYS  25          1HD       LYS  25   3.059  11.101  11.101
  172   1HE   LYS  25          2HE       LYS  25   4.409  12.088  12.088
  173   2HE   LYS  25          1HE       LYS  25   4.768  10.435  10.435
  174   1HZ   LYS  25          3HZ       LYS  25   2.831  10.597  10.597
  175   2HZ   LYS  25          2HZ       LYS  25   2.778  12.259  12.259
  176   3HZ   LYS  25          1HZ       LYS  25   4.155  11.586  11.586
  177    H    CYS  26           H        CYS  26   4.052   6.625   6.625
  178    HA   CYS  26           HA       CYS  26   2.338   5.112   5.112
  179   1HB   CYS  26          2HB       CYS  26   5.181   6.099   6.099
  180   2HB   CYS  26          1HB       CYS  26   4.414   5.428   5.428
  181   1HN   NH2  27          1HT       CYS  26   1.024   6.028   6.028
  182   2HN   NH2  27          2HT       CYS  26   1.171   7.584   7.584

  Start of MODEL   12
    1   1H    CYS   1          3H        CYS   1  12.452  -0.770  -0.770
    2   2H    CYS   1          2H        CYS   1  11.729  -2.305  -2.305
    3   3H    CYS   1          1H        CYS   1  12.439  -1.791  -1.791
    4    HA   CYS   1           HA       CYS   1  10.113  -1.600  -1.600
    5   1HB   CYS   1          2HB       CYS   1   8.960   0.057   0.057
    6   2HB   CYS   1          1HB       CYS   1   9.246  -1.571  -1.571
    7    H    LYS   2           H        LYS   2   8.892   0.786   0.786
    8    HA   LYS   2           HA       LYS   2  10.865   2.512   2.512
    9   1HB   LYS   2          2HB       LYS   2   7.845   2.568   2.568
   10   2HB   LYS   2          1HB       LYS   2   9.063   3.259   3.259
   11   1HG   LYS   2          2HG       LYS   2   9.192   0.279   0.279
   12   2HG   LYS   2          1HG       LYS   2   7.869   0.912   0.912
   13   1HD   LYS   2          2HD       LYS   2   9.632   2.204   2.204
   14   2HD   LYS   2          1HD       LYS   2  10.840   1.240   1.240
   15   1HE   LYS   2          2HE       LYS   2   8.505   0.003   0.003
   16   2HE   LYS   2          1HE       LYS   2  10.070   0.309   0.309
   17   1HZ   LYS   2          3HZ       LYS   2  10.095  -1.122  -1.122
   18   2HZ   LYS   2          2HZ       LYS   2   9.449  -1.950  -1.950
   19   3HZ   LYS   2          1HZ       LYS   2  11.036  -1.346  -1.346
   20    H    LEU   3           H        LEU   3  10.274   4.875   4.875
   21    HA   LEU   3           HA       LEU   3   9.610   5.759   5.759
   22   1HB   LEU   3          2HB       LEU   3  11.829   6.279   6.279
   23   2HB   LEU   3          1HB       LEU   3  10.892   7.297   7.297
   24    HG   LEU   3           HG       LEU   3  12.169   8.373   8.373
   25   1HD1  LEU   3          1HD1      LEU   3   9.884   9.129   9.129
   26   2HD1  LEU   3          3HD1      LEU   3   9.473   9.480   9.480
   27   3HD1  LEU   3          2HD1      LEU   3  10.918  10.171  10.171
   28   1HD2  LEU   3          1HD2      LEU   3  11.257   6.733   6.733
   29   2HD2  LEU   3          3HD2      LEU   3  11.157   8.426   8.426
   30   3HD2  LEU   3          2HD2      LEU   3   9.723   7.579   7.579
   31    H    LYS   4           H        LYS   4   8.374   7.894   7.894
   32    HA   LYS   4           HA       LYS   4   5.836   7.582   7.582
   33   1HB   LYS   4          2HB       LYS   4   6.552   9.058   9.058
   34   2HB   LYS   4          1HB       LYS   4   7.057  10.251  10.251
   35   1HG   LYS   4          2HG       LYS   4   4.273   9.119   9.119
   36   2HG   LYS   4          1HG       LYS   4   4.523  10.119  10.119
   37   1HD   LYS   4          2HD       LYS   4   5.457  11.124  11.124
   38   2HD   LYS   4          1HD       LYS   4   3.761  11.216  11.216
   39   1HE   LYS   4          2HE       LYS   4   4.304  12.524  12.524
   40   2HE   LYS   4          1HE       LYS   4   6.022  12.385  12.385
   41   1HZ   LYS   4          1HZ       LYS   4   4.008  13.693  13.693
   42   2HZ   LYS   4          3HZ       LYS   4   5.141  14.484  14.484
   43   3HZ   LYS   4          2HZ       LYS   4   5.667  13.559  13.559
   44    H    GLY   5           H        GLY   5   4.888   8.247   8.247
   45   1HA   GLY   5          2HA       GLY   5   4.437   9.195   9.195
   46   2HA   GLY   5          1HA       GLY   5   5.865  10.177  10.177
   47    H    GLN   6           H        GLN   6   6.410   6.770   6.770
   48    HA   GLN   6           HA       GLN   6   7.898   6.761   6.761
   49   1HB   GLN   6          2HB       GLN   6   7.858   5.102   5.102
   50   2HB   GLN   6          1HB       GLN   6   7.817   4.103   4.103
   51   1HG   GLN   6          2HG       GLN   6  10.129   4.416   4.416
   52   2HG   GLN   6          1HG       GLN   6   9.746   5.573   5.573
   53   1HE2  GLN   6          2HE2      GLN   6  11.769   7.101   7.101
   54   2HE2  GLN   6          1HE2      GLN   6  11.940   5.632   5.632
   55    H    SER   7           H        SER   7   7.346   5.726   5.726
   56    HA   SER   7           HA       SER   7   4.665   5.375   5.375
   57   1HB   SER   7          2HB       SER   7   5.522   4.168   4.168
   58   2HB   SER   7          1HB       SER   7   6.300   5.741   5.741
   59    HG   SER   7           HG       SER   7   7.277   3.152   3.152
   60    H    CYS   8           H        CYS   8   3.335   4.011   4.011
   61    HA   CYS   8           HA       CYS   8   3.711   1.131   1.131
   62   1HB   CYS   8          2HB       CYS   8   3.498   0.552   0.552
   63   2HB   CYS   8          1HB       CYS   8   4.898   1.528   1.528
   64    H    ARG   9           H        ARG   9   1.994  -0.116  -0.116
   65    HA   ARG   9           HA       ARG   9  -0.643   1.225   1.225
   66   1HB   ARG   9          2HB       ARG   9   0.210  -0.663  -0.663
   67   2HB   ARG   9          1HB       ARG   9  -0.076  -1.752  -1.752
   68   1HG   ARG   9          2HG       ARG   9  -2.436  -1.337  -1.337
   69   2HG   ARG   9          1HG       ARG   9  -2.263   0.121   0.121
   70   1HD   ARG   9          2HD       ARG   9  -3.127  -1.801  -1.801
   71   2HD   ARG   9          1HD       ARG   9  -1.589  -1.195  -1.195
   72    HE   ARG   9           HE       ARG   9  -1.166  -3.318  -3.318
   73   1HH1  ARG   9          1HH2      ARG   9  -2.149  -2.655  -2.655
   74   2HH1  ARG   9          2HH2      ARG   9  -1.632  -4.199  -4.199
   75   1HH2  ARG   9          1HH1      ARG   9  -0.691  -5.707  -5.707
   76   2HH2  ARG   9          2HH1      ARG   9  -0.509  -5.279  -5.279
   77    H    LYS  10           H        LYS  10  -2.435   0.632   0.632
   78    HA   LYS  10           HA       LYS  10  -2.240   0.651   0.651
   79   1HB   LYS  10          2HB       LYS  10  -4.436  -0.487  -0.487
   80   2HB   LYS  10          1HB       LYS  10  -4.627  -0.270  -0.270
   81   1HG   LYS  10          2HG       LYS  10  -4.124   2.158   2.158
   82   2HG   LYS  10          1HG       LYS  10  -3.965   1.934   1.934
   83   1HD   LYS  10          2HD       LYS  10  -6.318   1.260   1.260
   84   2HD   LYS  10          1HD       LYS  10  -6.499   1.293   1.293
   85   1HE   LYS  10          2HE       LYS  10  -6.001   3.745   3.745
   86   2HE   LYS  10          1HE       LYS  10  -5.856   3.706   3.706
   87   1HZ   LYS  10          3HZ       LYS  10  -8.289   2.746   2.746
   88   2HZ   LYS  10          2HZ       LYS  10  -8.060   4.393   4.393
   89   3HZ   LYS  10          1HZ       LYS  10  -8.091   3.259   3.259
   90    H    THR  11           H        THR  11  -3.170  -2.212  -2.212
   91    HA   THR  11           HA       THR  11  -3.002  -4.105  -4.105
   92    HB   THR  11           HB       THR  11  -4.097  -4.600  -4.600
   93    HG1  THR  11           HG1      THR  11  -2.974  -6.227  -6.227
   94   1HG2  THR  11          3HG2      THR  11  -1.227  -4.710  -4.710
   95   2HG2  THR  11          2HG2      THR  11  -2.693  -5.109  -5.109
   96   3HG2  THR  11          1HG2      THR  11  -2.386  -3.451  -3.451
   97    H    SER  12           H        SER  12  -0.428  -2.643  -2.643
   98    HA   SER  12           HA       SER  12   1.576  -4.654  -4.654
   99   1HB   SER  12          2HB       SER  12   1.643  -2.768  -2.768
  100   2HB   SER  12          1HB       SER  12   2.202  -1.709  -1.709
  101    HG   SER  12           HG       SER  12   4.050  -2.600  -2.600
  102    H    TYR  13           H        TYR  13   0.807  -1.614  -1.614
  103    HA   TYR  13           HA       TYR  13   1.485  -0.687  -0.687
  104   1HB   TYR  13          2HB       TYR  13   1.443  -3.649  -3.649
  105   2HB   TYR  13          1HB       TYR  13   1.436  -2.330  -2.330
  106    HD1  TYR  13           HD1      TYR  13  -0.507  -0.523  -0.523
  107    HD2  TYR  13           HD2      TYR  13  -0.619  -4.545  -4.545
  108    HE1  TYR  13           HE1      TYR  13  -2.949  -0.408  -0.408
  109    HE2  TYR  13           HE2      TYR  13  -3.060  -4.426  -4.426
  110    HH   TYR  13           HH       TYR  13  -4.823  -1.475  -1.475
  111    H    ASP  14           H        ASP  14   3.527  -1.325  -1.325
  112    HA   ASP  14           HA       ASP  14   5.845  -2.496  -2.496
  113   1HB   ASP  14          2HB       ASP  14   5.176  -1.702  -1.702
  114   2HB   ASP  14          1HB       ASP  14   6.122  -0.300  -0.300
  115    H    CYS  15           H        CYS  15   4.442   0.560   0.560
  116    HA   CYS  15           HA       CYS  15   6.847   1.990   1.990
  117   1HB   CYS  15          2HB       CYS  15   4.274   2.748   2.748
  118   2HB   CYS  15          1HB       CYS  15   5.481   3.711   3.711
  119    H    CYS  16           H        CYS  16   7.685   2.406   2.406
  120    HA   CYS  16           HA       CYS  16   8.035   0.425   0.425
  121   1HB   CYS  16          2HB       CYS  16   8.458   3.264   3.264
  122   2HB   CYS  16          1HB       CYS  16   8.796   2.581   2.581
  123    H    SER  17           H        SER  17   6.347   3.383   3.383
  124    HA   SER  17           HA       SER  17   4.912   2.605   2.605
  125   1HB   SER  17          2HB       SER  17   4.771   5.157   5.157
  126   2HB   SER  17          1HB       SER  17   4.008   4.944   4.944
  127    HG   SER  17           HG       SER  17   6.445   5.655   5.655
  128    H    GLY  18           H        GLY  18   4.375   2.139   2.139
  129   1HA   GLY  18          2HA       GLY  18   2.538   1.216   1.216
  130   2HA   GLY  18          1HA       GLY  18   1.678   1.127   1.127
  131    H    SER  19           H        SER  19   1.788   2.718   2.718
  132    HA   SER  19           HA       SER  19  -0.255   4.618   4.618
  133   1HB   SER  19          2HB       SER  19   2.550   5.411   5.411
  134   2HB   SER  19          1HB       SER  19   1.523   6.335   6.335
  135    HG   SER  19           HG       SER  19   1.534   6.209   6.209
  136    H    CYS  20           H        CYS  20   1.292   2.962   2.962
  137    HA   CYS  20           HA       CYS  20   0.701   4.087   4.087
  138   1HB   CYS  20          2HB       CYS  20  -0.069   1.234   1.234
  139   2HB   CYS  20          1HB       CYS  20   0.483   1.945   1.945
  140    H    GLY  21           H        GLY  21  -0.906   4.787   4.787
  141   1HA   GLY  21          2HA       GLY  21  -3.327   4.036   4.036
  142   2HA   GLY  21          1HA       GLY  21  -3.702   4.468   4.468
  143    H    ARG  22           H        ARG  22  -1.221   6.246   6.246
  144    HA   ARG  22           HA       ARG  22  -2.910   8.674   8.674
  145   1HB   ARG  22          2HB       ARG  22  -0.366   8.165   8.165
  146   2HB   ARG  22          1HB       ARG  22   0.025   8.958   8.958
  147   1HG   ARG  22          2HG       ARG  22  -1.933  10.015  10.015
  148   2HG   ARG  22          1HG       ARG  22  -0.264  10.516  10.516
  149   1HD   ARG  22          2HD       ARG  22  -2.404  10.945  10.945
  150   2HD   ARG  22          1HD       ARG  22  -1.682  12.177  12.177
  151    HE   ARG  22           HE       ARG  22   0.333  10.736  10.736
  152   1HH1  ARG  22          2HH1      ARG  22  -2.073  13.228  13.228
  153   2HH1  ARG  22          1HH1      ARG  22  -1.270  14.067  14.067
  154   1HH2  ARG  22          1HH2      ARG  22   1.360  11.785  11.785
  155   2HH2  ARG  22          2HH2      ARG  22   0.698  13.242  13.242
  156    H    SER  23           H        SER  23  -3.070   6.626   6.626
  157    HA   SER  23           HA       SER  23  -3.628   6.415   6.415
  158   1HB   SER  23          2HB       SER  23  -3.665   8.321   8.321
  159   2HB   SER  23          1HB       SER  23  -3.612   9.135   9.135
  160    HG   SER  23           HG       SER  23  -1.598   8.743   8.743
  161    H    GLY  24           H        GLY  24  -1.251   5.502   5.502
  162   1HA   GLY  24          2HA       GLY  24   0.214   3.840   3.840
  163   2HA   GLY  24          1HA       GLY  24   0.509   4.997   4.997
  164    H    LYS  25           H        LYS  25   0.364   5.841   5.841
  165    HA   LYS  25           HA       LYS  25   3.285   5.943   5.943
  166   1HB   LYS  25          2HB       LYS  25   3.352   8.042   8.042
  167   2HB   LYS  25          1HB       LYS  25   1.622   8.348   8.348
  168   1HG   LYS  25          2HG       LYS  25   2.227   8.812   8.812
  169   2HG   LYS  25          1HG       LYS  25   3.878   8.467   8.467
  170   1HD   LYS  25          2HD       LYS  25   4.167  10.517  10.517
  171   2HD   LYS  25          1HD       LYS  25   2.587  10.477  10.477
  172   1HE   LYS  25          2HE       LYS  25   2.332  12.256  12.256
  173   2HE   LYS  25          1HE       LYS  25   1.697  10.933  10.933
  174   1HZ   LYS  25          3HZ       LYS  25   4.559  11.447  11.447
  175   2HZ   LYS  25          2HZ       LYS  25   3.519  12.564  12.564
  176   3HZ   LYS  25          1HZ       LYS  25   3.476  10.930  10.930
  177    H    CYS  26           H        CYS  26   3.967   6.374   6.374
  178    HA   CYS  26           HA       CYS  26   2.114   5.284   5.284
  179   1HB   CYS  26          2HB       CYS  26   4.868   6.542   6.542
  180   2HB   CYS  26          1HB       CYS  26   3.970   5.792   5.792
  181   1HN   NH2  27          1HT       CYS  26   0.321   6.685   6.685
  182   2HN   NH2  27          2HT       CYS  26   0.429   8.252   8.252

  Start of MODEL   13
    1   1H    CYS   1          2H        CYS   1  12.381  -0.314  -0.314
    2   2H    CYS   1          1H        CYS   1  11.780  -1.903  -1.903
    3   3H    CYS   1          3H        CYS   1  12.305  -1.252  -1.252
    4    HA   CYS   1           HA       CYS   1   9.936  -1.253  -1.253
    5   1HB   CYS   1          2HB       CYS   1   8.853   0.248   0.248
    6   2HB   CYS   1          1HB       CYS   1   9.415  -1.299  -1.299
    7    H    LYS   2           H        LYS   2   8.538   0.874   0.874
    8    HA   LYS   2           HA       LYS   2  10.255   2.759   2.759
    9   1HB   LYS   2          2HB       LYS   2   7.247   2.907   2.907
   10   2HB   LYS   2          1HB       LYS   2   8.393   3.240   3.240
   11   1HG   LYS   2          2HG       LYS   2   7.836   0.448   0.448
   12   2HG   LYS   2          1HG       LYS   2   7.034   1.135   1.135
   13   1HD   LYS   2          2HD       LYS   2   9.251   1.417   1.417
   14   2HD   LYS   2          1HD       LYS   2  10.049   0.738   0.738
   15   1HE   LYS   2          2HE       LYS   2   8.003  -0.721  -0.721
   16   2HE   LYS   2          1HE       LYS   2   9.739  -0.993  -0.993
   17   1HZ   LYS   2          2HZ       LYS   2   9.508  -1.493  -1.493
   18   2HZ   LYS   2          1HZ       LYS   2   7.831  -1.554  -1.554
   19   3HZ   LYS   2          3HZ       LYS   2   8.853  -2.638  -2.638
   20    H    LEU   3           H        LEU   3  10.398   4.893   4.893
   21    HA   LEU   3           HA       LEU   3   9.829   5.854   5.854
   22   1HB   LEU   3          2HB       LEU   3  11.632   6.521   6.521
   23   2HB   LEU   3          1HB       LEU   3  10.407   7.653   7.653
   24    HG   LEU   3           HG       LEU   3  10.416   8.710   8.710
   25   1HD1  LEU   3          1HD1      LEU   3  12.453   6.514   6.514
   26   2HD1  LEU   3          3HD1      LEU   3  12.454   8.011   8.011
   27   3HD1  LEU   3          2HD1      LEU   3  11.054   6.963   6.963
   28   1HD2  LEU   3          3HD2      LEU   3  11.918   9.505   9.505
   29   2HD2  LEU   3          2HD2      LEU   3  12.659   9.717   9.717
   30   3HD2  LEU   3          1HD2      LEU   3  13.163   8.389   8.389
   31    H    LYS   4           H        LYS   4   8.726   8.125   8.125
   32    HA   LYS   4           HA       LYS   4   5.928   7.727   7.727
   33   1HB   LYS   4          2HB       LYS   4   7.023   9.064   9.064
   34   2HB   LYS   4          1HB       LYS   4   7.224  10.369  10.369
   35   1HG   LYS   4          2HG       LYS   4   5.144  10.883  10.883
   36   2HG   LYS   4          1HG       LYS   4   4.654  10.054  10.054
   37   1HD   LYS   4          2HD       LYS   4   4.389   7.927   7.927
   38   2HD   LYS   4          1HD       LYS   4   4.930   8.730   8.730
   39   1HE   LYS   4          2HE       LYS   4   2.523   8.723   8.723
   40   2HE   LYS   4          1HE       LYS   4   2.969  10.371  10.371
   41   1HZ   LYS   4          2HZ       LYS   4   2.247   8.298   8.298
   42   2HZ   LYS   4          1HZ       LYS   4   1.168   9.460   9.460
   43   3HZ   LYS   4          3HZ       LYS   4   2.516   9.945   9.945
   44    H    GLY   5           H        GLY   5   4.821   8.290   8.290
   45   1HA   GLY   5          2HA       GLY   5   4.084   9.210   9.210
   46   2HA   GLY   5          1HA       GLY   5   5.244  10.512  10.512
   47    H    GLN   6           H        GLN   6   6.327   7.254   7.254
   48    HA   GLN   6           HA       GLN   6   7.863   7.592   7.592
   49   1HB   GLN   6          2HB       GLN   6   8.922   6.865   6.865
   50   2HB   GLN   6          1HB       GLN   6   7.968   5.398   5.398
   51   1HG   GLN   6          2HG       GLN   6  10.290   5.049   5.049
   52   2HG   GLN   6          1HG       GLN   6   9.125   4.692   4.692
   53   1HE2  GLN   6          2HE2      GLN   6  11.478   8.059   8.059
   54   2HE2  GLN   6          1HE2      GLN   6  11.167   7.394   7.394
   55    H    SER   7           H        SER   7   8.102   5.692   5.692
   56    HA   SER   7           HA       SER   7   5.653   4.901   4.901
   57   1HB   SER   7          2HB       SER   7   7.165   3.321   3.321
   58   2HB   SER   7          1HB       SER   7   7.703   5.007   5.007
   59    HG   SER   7           HG       SER   7   9.009   4.488   4.488
   60    H    CYS   8           H        CYS   8   4.270   3.548   3.548
   61    HA   CYS   8           HA       CYS   8   4.925   0.859   0.859
   62   1HB   CYS   8          2HB       CYS   8   3.603   1.160   1.160
   63   2HB   CYS   8          1HB       CYS   8   4.920   2.302   2.302
   64    H    ARG   9           H        ARG   9   2.445   0.154   0.154
   65    HA   ARG   9           HA       ARG   9   0.484   0.850   0.850
   66   1HB   ARG   9          2HB       ARG   9   1.615  -1.914  -1.914
   67   2HB   ARG   9          1HB       ARG   9   0.028  -1.731  -1.731
   68   1HG   ARG   9          2HG       ARG   9   1.366  -0.137  -0.137
   69   2HG   ARG   9          1HG       ARG   9   2.740  -1.075  -1.075
   70   1HD   ARG   9          2HD       ARG   9   0.180  -2.232  -2.232
   71   2HD   ARG   9          1HD       ARG   9   1.728  -2.095  -2.095
   72    HE   ARG   9           HE       ARG   9   2.153  -3.520  -3.520
   73   1HH1  ARG   9          1HH2      ARG   9   0.537  -3.834  -3.834
   74   2HH1  ARG   9          2HH2      ARG   9   0.672  -5.559  -5.559
   75   1HH2  ARG   9          2HH1      ARG   9   2.338  -5.709  -5.709
   76   2HH2  ARG   9          1HH1      ARG   9   1.706  -6.638  -6.638
   77    H    LYS  10           H        LYS  10  -1.618   0.700   0.700
   78    HA   LYS  10           HA       LYS  10  -2.213   1.021   1.021
   79   1HB   LYS  10          2HB       LYS  10  -4.617   0.524   0.524
   80   2HB   LYS  10          1HB       LYS  10  -3.804   1.785   1.785
   81   1HG   LYS  10          2HG       LYS  10  -3.459   0.380   0.380
   82   2HG   LYS  10          1HG       LYS  10  -3.808  -1.083  -1.083
   83   1HD   LYS  10          2HD       LYS  10  -5.770  -0.671  -0.671
   84   2HD   LYS  10          1HD       LYS  10  -6.181  -0.170  -0.170
   85   1HE   LYS  10          2HE       LYS  10  -5.762   2.199   2.199
   86   2HE   LYS  10          1HE       LYS  10  -5.245   1.718   1.718
   87   1HZ   LYS  10          1HZ       LYS  10  -7.476   0.725   0.725
   88   2HZ   LYS  10          3HZ       LYS  10  -7.938   1.420   1.420
   89   3HZ   LYS  10          2HZ       LYS  10  -7.479   2.414   2.414
   90    H    THR  11           H        THR  11  -2.988  -0.236  -0.236
   91    HA   THR  11           HA       THR  11  -3.037  -2.067  -2.067
   92    HB   THR  11           HB       THR  11  -5.217  -2.245  -2.245
   93    HG1  THR  11           HG1      THR  11  -5.536  -4.301  -4.301
   94   1HG2  THR  11          3HG2      THR  11  -3.558  -4.342  -4.342
   95   2HG2  THR  11          2HG2      THR  11  -5.292  -4.491  -4.491
   96   3HG2  THR  11          1HG2      THR  11  -4.626  -3.123  -3.123
   97    H    SER  12           H        SER  12  -0.773  -1.972  -1.972
   98    HA   SER  12           HA       SER  12   0.063  -4.810  -4.810
   99   1HB   SER  12          2HB       SER  12   0.313  -2.986  -2.986
  100   2HB   SER  12          1HB       SER  12   1.769  -2.515  -2.515
  101    HG   SER  12           HG       SER  12   2.264  -4.811  -4.811
  102    H    TYR  13           H        TYR  13   0.376  -2.031  -2.031
  103    HA   TYR  13           HA       TYR  13   1.662  -1.329  -1.329
  104   1HB   TYR  13          2HB       TYR  13   1.840  -4.331  -4.331
  105   2HB   TYR  13          1HB       TYR  13   1.920  -3.084  -3.084
  106    HD1  TYR  13           HD2      TYR  13  -0.188  -1.314  -1.314
  107    HD2  TYR  13           HD1      TYR  13  -0.235  -5.405  -5.405
  108    HE1  TYR  13           HE2      TYR  13  -2.627  -1.335  -1.335
  109    HE2  TYR  13           HE1      TYR  13  -2.674  -5.420  -5.420
  110    HH   TYR  13           HH       TYR  13  -4.509  -4.231  -4.231
  111    H    ASP  14           H        ASP  14   3.101  -1.652  -1.652
  112    HA   ASP  14           HA       ASP  14   5.686  -2.848  -2.848
  113   1HB   ASP  14          2HB       ASP  14   4.392  -1.036  -1.036
  114   2HB   ASP  14          1HB       ASP  14   6.142  -1.028  -1.028
  115    H    CYS  15           H        CYS  15   4.336   0.320   0.320
  116    HA   CYS  15           HA       CYS  15   6.816   1.651   1.651
  117   1HB   CYS  15          2HB       CYS  15   4.251   2.571   2.571
  118   2HB   CYS  15          1HB       CYS  15   5.562   3.486   3.486
  119    H    CYS  16           H        CYS  16   7.558   2.385   2.385
  120    HA   CYS  16           HA       CYS  16   7.976   0.604   0.604
  121   1HB   CYS  16          2HB       CYS  16   8.135   3.473   3.473
  122   2HB   CYS  16          1HB       CYS  16   8.700   2.795   2.795
  123    H    SER  17           H        SER  17   6.240   3.539   3.539
  124    HA   SER  17           HA       SER  17   4.719   3.064   3.064
  125   1HB   SER  17          2HB       SER  17   5.411   5.377   5.377
  126   2HB   SER  17          1HB       SER  17   4.177   5.213   5.213
  127    HG   SER  17           HG       SER  17   3.658   4.774   4.774
  128    H    GLY  18           H        GLY  18   4.311   2.058   2.058
  129   1HA   GLY  18          2HA       GLY  18   2.591   0.928   0.928
  130   2HA   GLY  18          1HA       GLY  18   1.890   0.637   0.637
  131    H    SER  19           H        SER  19   2.518   3.818   3.818
  132    HA   SER  19           HA       SER  19  -0.192   4.720   4.720
  133   1HB   SER  19          2HB       SER  19   2.453   5.895   5.895
  134   2HB   SER  19          1HB       SER  19   1.248   6.708   6.708
  135    HG   SER  19           HG       SER  19   1.013   7.631   7.631
  136    H    CYS  20           H        CYS  20   1.387   3.378   3.378
  137    HA   CYS  20           HA       CYS  20   0.551   4.526   4.526
  138   1HB   CYS  20          2HB       CYS  20   1.645   2.167   2.167
  139   2HB   CYS  20          1HB       CYS  20   0.027   1.590   1.590
  140    H    GLY  21           H        GLY  21  -0.961   4.696   4.696
  141   1HA   GLY  21          2HA       GLY  21  -3.302   3.690   3.690
  142   2HA   GLY  21          1HA       GLY  21  -3.768   4.344   4.344
  143    H    ARG  22           H        ARG  22  -1.346   6.119   6.119
  144    HA   ARG  22           HA       ARG  22  -3.185   8.337   8.337
  145   1HB   ARG  22          2HB       ARG  22  -0.339   8.063   8.063
  146   2HB   ARG  22          1HB       ARG  22  -0.644   9.401   9.401
  147   1HG   ARG  22          2HG       ARG  22  -0.953  10.173  10.173
  148   2HG   ARG  22          1HG       ARG  22  -2.507  10.170  10.170
  149   1HD   ARG  22          2HD       ARG  22  -3.146   8.083   8.083
  150   2HD   ARG  22          1HD       ARG  22  -1.524   7.899   7.899
  151    HE   ARG  22           HE       ARG  22  -2.681  10.438  10.438
  152   1HH1  ARG  22          2HH1      ARG  22  -2.703   7.040   7.040
  153   2HH1  ARG  22          1HH1      ARG  22  -3.205   7.262   7.262
  154   1HH2  ARG  22          1HH2      ARG  22  -3.312  10.742  10.742
  155   2HH2  ARG  22          2HH2      ARG  22  -3.559   9.392   9.392
  156    H    SER  23           H        SER  23  -3.000   6.079   6.079
  157    HA   SER  23           HA       SER  23  -3.020   5.339   5.339
  158   1HB   SER  23          2HB       SER  23  -3.449   6.996   6.996
  159   2HB   SER  23          1HB       SER  23  -4.087   7.717   7.717
  160    HG   SER  23           HG       SER  23  -1.465   8.297   8.297
  161    H    GLY  24           H        GLY  24  -0.964   4.504   4.504
  162   1HA   GLY  24          2HA       GLY  24   1.022   3.515   3.515
  163   2HA   GLY  24          1HA       GLY  24   1.176   4.829   4.829
  164    H    LYS  25           H        LYS  25   0.491   6.227   6.227
  165    HA   LYS  25           HA       LYS  25   3.380   6.598   6.598
  166   1HB   LYS  25          2HB       LYS  25   2.852   8.679   8.679
  167   2HB   LYS  25          1HB       LYS  25   1.120   8.538   8.538
  168   1HG   LYS  25          2HG       LYS  25   1.695   8.884   8.884
  169   2HG   LYS  25          1HG       LYS  25   3.366   8.973   8.973
  170   1HD   LYS  25          2HD       LYS  25   3.199  11.098  11.098
  171   2HD   LYS  25          1HD       LYS  25   1.584  10.860  10.860
  172   1HE   LYS  25          2HE       LYS  25   1.772  12.504  12.504
  173   2HE   LYS  25          1HE       LYS  25   0.573  11.241  11.241
  174   1HZ   LYS  25          3HZ       LYS  25   3.324  11.124  11.124
  175   2HZ   LYS  25          2HZ       LYS  25   1.957  11.605  11.605
  176   3HZ   LYS  25          1HZ       LYS  25   2.071  10.018  10.018
  177    H    CYS  26           H        CYS  26   3.882   6.929   6.929
  178    HA   CYS  26           HA       CYS  26   2.292   5.264   5.264
  179   1HB   CYS  26          2HB       CYS  26   4.919   6.652   6.652
  180   2HB   CYS  26          1HB       CYS  26   4.244   5.752   5.752
  181   1HN   NH2  27          1HT       CYS  26   0.389   6.783   6.783
  182   2HN   NH2  27          2HT       CYS  26   0.446   8.104   8.104

  Start of MODEL   14
    1   1H    CYS   1          2H        CYS   1  12.623  -0.628  -0.628
    2   2H    CYS   1          1H        CYS   1  12.523   0.277   0.277
    3   3H    CYS   1          3H        CYS   1  12.134  -1.376  -1.376
    4    HA   CYS   1           HA       CYS   1  10.235  -1.001  -1.001
    5   1HB   CYS   1          2HB       CYS   1   8.981   0.543   0.543
    6   2HB   CYS   1          1HB       CYS   1   9.712  -0.872  -0.872
    7    H    LYS   2           H        LYS   2   8.619   0.931   0.931
    8    HA   LYS   2           HA       LYS   2  10.152   2.799   2.799
    9   1HB   LYS   2          2HB       LYS   2   7.283   1.904   1.904
   10   2HB   LYS   2          1HB       LYS   2   7.894   3.214   3.214
   11   1HG   LYS   2          2HG       LYS   2   9.532   0.684   0.684
   12   2HG   LYS   2          1HG       LYS   2   7.986   0.621   0.621
   13   1HD   LYS   2          2HD       LYS   2   9.799   1.201   1.201
   14   2HD   LYS   2          1HD       LYS   2   8.646   2.528   2.528
   15   1HE   LYS   2          2HE       LYS   2  10.254   3.770   3.770
   16   2HE   LYS   2          1HE       LYS   2  11.347   2.387   2.387
   17   1HZ   LYS   2          2HZ       LYS   2  10.439   3.933   3.933
   18   2HZ   LYS   2          1HZ       LYS   2  11.961   4.052   4.052
   19   3HZ   LYS   2          3HZ       LYS   2  11.505   2.612   2.612
   20    H    LEU   3           H        LEU   3  10.467   4.835   4.835
   21    HA   LEU   3           HA       LEU   3   9.313   5.903   5.903
   22   1HB   LEU   3          2HB       LEU   3  11.554   6.423   6.423
   23   2HB   LEU   3          1HB       LEU   3  10.718   7.311   7.311
   24    HG   LEU   3           HG       LEU   3  11.774   8.661   8.661
   25   1HD1  LEU   3          1HD1      LEU   3   9.503   9.139   9.139
   26   2HD1  LEU   3          3HD1      LEU   3   8.967   9.528   9.528
   27   3HD1  LEU   3          2HD1      LEU   3  10.376  10.326  10.326
   28   1HD2  LEU   3          3HD2      LEU   3  10.946   7.093   7.093
   29   2HD2  LEU   3          2HD2      LEU   3  10.760   8.809   8.809
   30   3HD2  LEU   3          1HD2      LEU   3   9.372   7.850   7.850
   31    H    LYS   4           H        LYS   4   7.859   7.671   7.671
   32    HA   LYS   4           HA       LYS   4   5.471   7.505   7.505
   33   1HB   LYS   4          2HB       LYS   4   5.932   8.452   8.452
   34   2HB   LYS   4          1HB       LYS   4   6.369   9.947   9.947
   35   1HG   LYS   4          2HG       LYS   4   3.710   8.606   8.606
   36   2HG   LYS   4          1HG       LYS   4   3.873   9.496   9.496
   37   1HD   LYS   4          2HD       LYS   4   4.654  10.807  10.807
   38   2HD   LYS   4          1HD       LYS   4   2.988  10.762  10.762
   39   1HE   LYS   4          2HE       LYS   4   3.374  12.146  12.146
   40   2HE   LYS   4          1HE       LYS   4   5.082  11.743  11.743
   41   1HZ   LYS   4          3HZ       LYS   4   3.812  13.339  13.339
   42   2HZ   LYS   4          2HZ       LYS   4   4.724  13.961  13.961
   43   3HZ   LYS   4          1HZ       LYS   4   5.465  12.972  12.972
   44    H    GLY   5           H        GLY   5   5.306   7.966   7.966
   45   1HA   GLY   5          2HA       GLY   5   4.987   9.880   9.880
   46   2HA   GLY   5          1HA       GLY   5   6.527  10.471  10.471
   47    H    GLN   6           H        GLN   6   6.605   7.116   7.116
   48    HA   GLN   6           HA       GLN   6   7.969   7.234   7.234
   49   1HB   GLN   6          2HB       GLN   6   8.444   5.665   5.665
   50   2HB   GLN   6          1HB       GLN   6   8.749   4.837   4.837
   51   1HG   GLN   6          2HG       GLN   6  10.831   5.831   5.831
   52   2HG   GLN   6          1HG       GLN   6  10.101   6.979   6.979
   53   1HE2  GLN   6          2HE2      GLN   6  11.586   8.717   8.717
   54   2HE2  GLN   6          1HE2      GLN   6  12.194   7.580   7.580
   55    H    SER   7           H        SER   7   7.993   5.311   5.311
   56    HA   SER   7           HA       SER   7   5.457   4.598   4.598
   57   1HB   SER   7          2HB       SER   7   6.779   2.951   2.951
   58   2HB   SER   7          1HB       SER   7   7.514   4.557   4.557
   59    HG   SER   7           HG       SER   7   8.702   3.757   3.757
   60    H    CYS   8           H        CYS   8   4.016   3.314   3.314
   61    HA   CYS   8           HA       CYS   8   4.551   0.623   0.623
   62   1HB   CYS   8          2HB       CYS   8   3.431   1.047   1.047
   63   2HB   CYS   8          1HB       CYS   8   4.908   1.961   1.961
   64    H    ARG   9           H        ARG   9   2.134   0.088   0.088
   65    HA   ARG   9           HA       ARG   9  -0.025   1.040   1.040
   66   1HB   ARG   9          2HB       ARG   9   1.155  -1.755  -1.755
   67   2HB   ARG   9          1HB       ARG   9  -0.569  -1.589  -1.589
   68   1HG   ARG   9          2HG       ARG   9  -0.150  -1.203  -1.203
   69   2HG   ARG   9          1HG       ARG   9   0.461   0.367   0.367
   70   1HD   ARG   9          2HD       ARG   9   2.223  -0.669  -0.669
   71   2HD   ARG   9          1HD       ARG   9   2.748  -0.775  -0.775
   72    HE   ARG   9           HE       ARG   9   2.483  -3.105  -3.105
   73   1HH1  ARG   9          1HH2      ARG   9   0.946  -1.614  -1.614
   74   2HH1  ARG   9          2HH2      ARG   9   0.648  -3.123  -3.123
   75   1HH2  ARG   9          2HH1      ARG   9   2.114  -5.018  -5.018
   76   2HH2  ARG   9          1HH1      ARG   9   1.316  -5.077  -5.077
   77    H    LYS  10           H        LYS  10  -2.093   0.692   0.692
   78    HA   LYS  10           HA       LYS  10  -2.315   0.650   0.650
   79   1HB   LYS  10          2HB       LYS  10  -3.956   1.781   1.781
   80   2HB   LYS  10          1HB       LYS  10  -4.321   0.272   0.272
   81   1HG   LYS  10          2HG       LYS  10  -6.097   0.902   0.902
   82   2HG   LYS  10          1HG       LYS  10  -5.354  -0.617  -0.617
   83   1HD   LYS  10          2HD       LYS  10  -3.808   0.830   0.830
   84   2HD   LYS  10          1HD       LYS  10  -4.938   2.126   2.126
   85   1HE   LYS  10          2HE       LYS  10  -5.584   0.950   0.950
   86   2HE   LYS  10          1HE       LYS  10  -6.791   0.583   0.583
   87   1HZ   LYS  10          2HZ       LYS  10  -4.447  -1.141  -1.141
   88   2HZ   LYS  10          1HZ       LYS  10  -5.961  -1.353  -1.353
   89   3HZ   LYS  10          3HZ       LYS  10  -5.806  -1.512  -1.512
   90    H    THR  11           H        THR  11  -3.084  -0.988  -0.988
   91    HA   THR  11           HA       THR  11  -3.536  -3.142  -3.142
   92    HB   THR  11           HB       THR  11  -3.571  -4.150  -4.150
   93    HG1  THR  11           HG1      THR  11  -5.533  -2.833  -2.833
   94   1HG2  THR  11          2HG2      THR  11  -5.122  -4.848  -4.848
   95   2HG2  THR  11          1HG2      THR  11  -5.350  -5.564  -5.564
   96   3HG2  THR  11          3HG2      THR  11  -3.846  -5.836  -5.836
   97    H    SER  12           H        SER  12  -0.985  -2.541  -2.541
   98    HA   SER  12           HA       SER  12   0.502  -4.974  -4.974
   99   1HB   SER  12          2HB       SER  12   0.656  -2.898  -2.898
  100   2HB   SER  12          1HB       SER  12   2.103  -2.629  -2.629
  101    HG   SER  12           HG       SER  12   2.585  -4.836  -4.836
  102    H    TYR  13           H        TYR  13   0.448  -1.752  -1.752
  103    HA   TYR  13           HA       TYR  13   1.499  -0.705  -0.705
  104   1HB   TYR  13          2HB       TYR  13   1.052  -3.517  -3.517
  105   2HB   TYR  13          1HB       TYR  13   1.465  -2.135  -2.135
  106    HD1  TYR  13           HD2      TYR  13  -0.065   0.067   0.067
  107    HD2  TYR  13           HD1      TYR  13  -1.235  -4.013  -4.013
  108    HE1  TYR  13           HE2      TYR  13  -2.416   0.734   0.734
  109    HE2  TYR  13           HE1      TYR  13  -3.588  -3.342  -3.342
  110    HH   TYR  13           HH       TYR  13  -4.528   0.070   0.070
  111    H    ASP  14           H        ASP  14   3.358  -1.636  -1.636
  112    HA   ASP  14           HA       ASP  14   5.612  -2.897  -2.897
  113   1HB   ASP  14          2HB       ASP  14   5.126  -1.478  -1.478
  114   2HB   ASP  14          1HB       ASP  14   6.760  -1.916  -1.916
  115    H    CYS  15           H        CYS  15   4.308   0.034   0.034
  116    HA   CYS  15           HA       CYS  15   6.782   1.588   1.588
  117   1HB   CYS  15          2HB       CYS  15   4.156   2.497   2.497
  118   2HB   CYS  15          1HB       CYS  15   5.424   3.421   3.421
  119    H    CYS  16           H        CYS  16   7.479   2.627   2.627
  120    HA   CYS  16           HA       CYS  16   8.154   1.180   1.180
  121   1HB   CYS  16          2HB       CYS  16   8.080   3.965   3.965
  122   2HB   CYS  16          1HB       CYS  16   8.657   3.580   3.580
  123    H    SER  17           H        SER  17   6.083   3.879   3.879
  124    HA   SER  17           HA       SER  17   4.849   3.735   3.735
  125   1HB   SER  17          2HB       SER  17   5.003   5.859   5.859
  126   2HB   SER  17          1HB       SER  17   3.802   5.196   5.196
  127    HG   SER  17           HG       SER  17   2.354   5.041   5.041
  128    H    GLY  18           H        GLY  18   4.449   1.839   1.839
  129   1HA   GLY  18          2HA       GLY  18   2.952   0.155   0.155
  130   2HA   GLY  18          1HA       GLY  18   2.321   0.276   0.276
  131    H    SER  19           H        SER  19   2.394   2.582   2.582
  132    HA   SER  19           HA       SER  19  -0.530   2.443   2.443
  133   1HB   SER  19          2HB       SER  19   0.046   5.274   5.274
  134   2HB   SER  19          1HB       SER  19  -1.033   4.304   4.304
  135    HG   SER  19           HG       SER  19   0.756   3.733   3.733
  136    H    CYS  20           H        CYS  20  -1.077   2.750   2.750
  137    HA   CYS  20           HA       CYS  20   0.352   4.488   4.488
  138   1HB   CYS  20          2HB       CYS  20   1.624   2.322   2.322
  139   2HB   CYS  20          1HB       CYS  20   0.156   1.515   1.515
  140    H    GLY  21           H        GLY  21  -0.590   4.447   4.447
  141   1HA   GLY  21          2HA       GLY  21  -2.469   3.963   3.963
  142   2HA   GLY  21          1HA       GLY  21  -3.484   3.703   3.703
  143    H    ARG  22           H        ARG  22  -1.296   6.347   6.347
  144    HA   ARG  22           HA       ARG  22  -3.589   8.251   8.251
  145   1HB   ARG  22          2HB       ARG  22  -0.685   8.517   8.517
  146   2HB   ARG  22          1HB       ARG  22  -1.803   9.863   9.863
  147   1HG   ARG  22          2HG       ARG  22  -1.859   9.045   9.045
  148   2HG   ARG  22          1HG       ARG  22  -3.293   8.330   8.330
  149   1HD   ARG  22          2HD       ARG  22  -2.362   6.161   6.161
  150   2HD   ARG  22          1HD       ARG  22  -0.713   6.748   6.748
  151    HE   ARG  22           HE       ARG  22  -0.621   6.915   6.915
  152   1HH1  ARG  22          1HH2      ARG  22  -3.893   6.510   6.510
  153   2HH1  ARG  22          2HH2      ARG  22  -4.505   6.267   6.267
  154   1HH2  ARG  22          2HH1      ARG  22  -1.385   6.617   6.617
  155   2HH2  ARG  22          1HH1      ARG  22  -3.070   6.328   6.328
  156    H    SER  23           H        SER  23  -2.474   6.925   6.925
  157    HA   SER  23           HA       SER  23  -2.820   7.806   7.806
  158   1HB   SER  23          2HB       SER  23  -1.376   9.722   9.722
  159   2HB   SER  23          1HB       SER  23  -2.270  10.282  10.282
  160    HG   SER  23           HG       SER  23   0.383   9.263   9.263
  161    H    GLY  24           H        GLY  24  -1.458   5.815   5.815
  162   1HA   GLY  24          2HA       GLY  24  -0.061   4.025   4.025
  163   2HA   GLY  24          1HA       GLY  24   0.693   5.100   5.100
  164    H    LYS  25           H        LYS  25   0.767   7.141   7.141
  165    HA   LYS  25           HA       LYS  25   3.449   6.550   6.550
  166   1HB   LYS  25          2HB       LYS  25   3.309   8.799   8.799
  167   2HB   LYS  25          1HB       LYS  25   1.603   8.928   8.928
  168   1HG   LYS  25          2HG       LYS  25   3.598   8.578   8.578
  169   2HG   LYS  25          1HG       LYS  25   3.394  10.142  10.142
  170   1HD   LYS  25          2HD       LYS  25   0.883   9.916   9.916
  171   2HD   LYS  25          1HD       LYS  25   1.302   8.534   8.534
  172   1HE   LYS  25          2HE       LYS  25   2.993  10.256  10.256
  173   2HE   LYS  25          1HE       LYS  25   1.857  11.433  11.433
  174   1HZ   LYS  25          1HZ       LYS  25   0.065  10.228  10.228
  175   2HZ   LYS  25          3HZ       LYS  25   1.179   9.131   9.131
  176   3HZ   LYS  25          2HZ       LYS  25   1.223  10.765  10.765
  177    H    CYS  26           H        CYS  26   4.074   6.545   6.545
  178    HA   CYS  26           HA       CYS  26   2.431   4.951   4.951
  179   1HB   CYS  26          2HB       CYS  26   5.220   6.071   6.071
  180   2HB   CYS  26          1HB       CYS  26   4.531   5.413   5.413
  181   1HN   NH2  27          1HT       CYS  26   0.977   5.827   5.827
  182   2HN   NH2  27          2HT       CYS  26   1.073   7.362   7.362

  Start of MODEL   15
    1   1H    CYS   1          3H        CYS   1  12.406  -0.233  -0.233
    2   2H    CYS   1          2H        CYS   1  11.879  -1.847  -1.847
    3   3H    CYS   1          1H        CYS   1  12.393  -1.189  -1.189
    4    HA   CYS   1           HA       CYS   1  10.040  -1.280  -1.280
    5   1HB   CYS   1          2HB       CYS   1   8.869   0.172   0.172
    6   2HB   CYS   1          1HB       CYS   1   9.403  -1.420  -1.420
    7    H    LYS   2           H        LYS   2   8.538   0.810   0.810
    8    HA   LYS   2           HA       LYS   2  10.162   2.772   2.772
    9   1HB   LYS   2          2HB       LYS   2   7.128   2.763   2.763
   10   2HB   LYS   2          1HB       LYS   2   8.176   3.299   3.299
   11   1HG   LYS   2          2HG       LYS   2   7.960   0.383   0.383
   12   2HG   LYS   2          1HG       LYS   2   6.985   1.117   1.117
   13   1HD   LYS   2          2HD       LYS   2   9.363   1.932   1.932
   14   2HD   LYS   2          1HD       LYS   2   9.969   0.606   0.606
   15   1HE   LYS   2          2HE       LYS   2   9.243  -0.945  -0.945
   16   2HE   LYS   2          1HE       LYS   2   7.644  -0.232  -0.232
   17   1HZ   LYS   2          1HZ       LYS   2  10.034   0.867   0.867
   18   2HZ   LYS   2          3HZ       LYS   2   8.929  -0.197  -0.197
   19   3HZ   LYS   2          2HZ       LYS   2   8.421   1.342   1.342
   20    H    LEU   3           H        LEU   3  10.264   4.942   4.942
   21    HA   LEU   3           HA       LEU   3   9.716   5.761   5.761
   22   1HB   LEU   3          2HB       LEU   3  11.625   6.379   6.379
   23   2HB   LEU   3          1HB       LEU   3  10.503   7.452   7.452
   24    HG   LEU   3           HG       LEU   3  10.443   7.893   7.893
   25   1HD1  LEU   3          2HD1      LEU   3  12.788   7.031   7.031
   26   2HD1  LEU   3          1HD1      LEU   3  13.160   8.218   8.218
   27   3HD1  LEU   3          3HD1      LEU   3  12.739   8.742   8.742
   28   1HD2  LEU   3          3HD2      LEU   3   9.691   9.464   9.464
   29   2HD2  LEU   3          2HD2      LEU   3  10.907  10.199  10.199
   30   3HD2  LEU   3          1HD2      LEU   3  11.349   9.604   9.604
   31    H    LYS   4           H        LYS   4   8.635   8.117   8.117
   32    HA   LYS   4           HA       LYS   4   5.860   7.719   7.719
   33   1HB   LYS   4          2HB       LYS   4   6.854   9.059   9.059
   34   2HB   LYS   4          1HB       LYS   4   7.149  10.353  10.353
   35   1HG   LYS   4          2HG       LYS   4   5.014  10.861  10.861
   36   2HG   LYS   4          1HG       LYS   4   4.654  10.245  10.245
   37   1HD   LYS   4          2HD       LYS   4   3.109   9.109   9.109
   38   2HD   LYS   4          1HD       LYS   4   4.353   7.908   7.908
   39   1HE   LYS   4          2HE       LYS   4   5.356   8.410   8.410
   40   2HE   LYS   4          1HE       LYS   4   4.250   9.757   9.757
   41   1HZ   LYS   4          1HZ       LYS   4   3.301   7.001   7.001
   42   2HZ   LYS   4          3HZ       LYS   4   3.676   7.591   7.591
   43   3HZ   LYS   4          2HZ       LYS   4   2.442   8.321   8.321
   44    H    GLY   5           H        GLY   5   4.791   8.252   8.252
   45   1HA   GLY   5          2HA       GLY   5   4.094   9.188   9.188
   46   2HA   GLY   5          1HA       GLY   5   5.268  10.478  10.478
   47    H    GLN   6           H        GLN   6   6.327   7.230   7.230
   48    HA   GLN   6           HA       GLN   6   7.912   7.516   7.516
   49   1HB   GLN   6          2HB       GLN   6   8.927   6.820   6.820
   50   2HB   GLN   6          1HB       GLN   6   7.954   5.368   5.368
   51   1HG   GLN   6          2HG       GLN   6  10.280   4.949   4.949
   52   2HG   GLN   6          1HG       GLN   6   9.154   4.605   4.605
   53   1HE2  GLN   6          2HE2      GLN   6  11.619   7.891   7.891
   54   2HE2  GLN   6          1HE2      GLN   6  11.245   7.240   7.240
   55    H    SER   7           H        SER   7   8.168   5.505   5.505
   56    HA   SER   7           HA       SER   7   5.750   4.756   4.756
   57   1HB   SER   7          2HB       SER   7   7.283   2.957   2.957
   58   2HB   SER   7          1HB       SER   7   7.791   4.639   4.639
   59    HG   SER   7           HG       SER   7   8.613   2.939   2.939
   60    H    CYS   8           H        CYS   8   4.253   3.443   3.443
   61    HA   CYS   8           HA       CYS   8   4.777   0.795   0.795
   62   1HB   CYS   8          2HB       CYS   8   3.569   1.167   1.167
   63   2HB   CYS   8          1HB       CYS   8   4.827   2.367   2.367
   64    H    ARG   9           H        ARG   9   2.284   0.209   0.209
   65    HA   ARG   9           HA       ARG   9   0.274   1.002   1.002
   66   1HB   ARG   9          2HB       ARG   9   1.470  -1.786  -1.786
   67   2HB   ARG   9          1HB       ARG   9  -0.175  -1.574  -1.574
   68   1HG   ARG   9          2HG       ARG   9   0.939   0.220   0.220
   69   2HG   ARG   9          1HG       ARG   9   2.405  -0.681  -0.681
   70   1HD   ARG   9          2HD       ARG   9  -0.178  -1.930  -1.930
   71   2HD   ARG   9          1HD       ARG   9   1.219  -1.529  -1.529
   72    HE   ARG   9           HE       ARG   9   2.101  -3.155  -3.155
   73   1HH1  ARG   9          2HH1      ARG   9   0.174  -3.300  -3.300
   74   2HH1  ARG   9          1HH1      ARG   9   0.489  -4.982  -4.982
   75   1HH2  ARG   9          1HH2      ARG   9   2.517  -5.285  -5.285
   76   2HH2  ARG   9          2HH2      ARG   9   1.837  -6.125  -6.125
   77    H    LYS  10           H        LYS  10  -1.822   0.689   0.689
   78    HA   LYS  10           HA       LYS  10  -2.255   0.531   0.531
   79   1HB   LYS  10          2HB       LYS  10  -3.782   1.668   1.668
   80   2HB   LYS  10          1HB       LYS  10  -4.302   0.068   0.068
   81   1HG   LYS  10          2HG       LYS  10  -5.964   0.690   0.690
   82   2HG   LYS  10          1HG       LYS  10  -4.894  -0.265  -0.265
   83   1HD   LYS  10          2HD       LYS  10  -3.699   1.974   1.974
   84   2HD   LYS  10          1HD       LYS  10  -5.084   2.754   2.754
   85   1HE   LYS  10          2HE       LYS  10  -6.572   1.483   1.483
   86   2HE   LYS  10          1HE       LYS  10  -5.112   0.935   0.935
   87   1HZ   LYS  10          2HZ       LYS  10  -5.792   3.778   3.778
   88   2HZ   LYS  10          1HZ       LYS  10  -6.112   2.937   2.937
   89   3HZ   LYS  10          3HZ       LYS  10  -4.507   3.170   3.170
   90    H    THR  11           H        THR  11  -3.149  -1.196  -1.196
   91    HA   THR  11           HA       THR  11  -3.670  -3.405  -3.405
   92    HB   THR  11           HB       THR  11  -3.337  -4.251  -4.251
   93    HG1  THR  11           HG1      THR  11  -4.734  -2.564  -2.564
   94   1HG2  THR  11          1HG2      THR  11  -5.215  -5.078  -5.078
   95   2HG2  THR  11          3HG2      THR  11  -5.157  -5.759  -5.759
   96   3HG2  THR  11          2HG2      THR  11  -3.808  -6.005  -6.005
   97    H    SER  12           H        SER  12  -0.930  -2.635  -2.635
   98    HA   SER  12           HA       SER  12   0.585  -5.037  -5.037
   99   1HB   SER  12          2HB       SER  12   0.947  -3.767  -3.767
  100   2HB   SER  12          1HB       SER  12   1.613  -2.425  -2.425
  101    HG   SER  12           HG       SER  12   3.088  -3.908  -3.908
  102    H    TYR  13           H        TYR  13   0.422  -1.695  -1.695
  103    HA   TYR  13           HA       TYR  13   1.375  -0.466  -0.466
  104   1HB   TYR  13          2HB       TYR  13   1.151  -3.161  -3.161
  105   2HB   TYR  13          1HB       TYR  13   1.196  -1.595  -1.595
  106    HD1  TYR  13           HD2      TYR  13  -0.642   0.126   0.126
  107    HD2  TYR  13           HD1      TYR  13  -0.983  -4.105  -4.105
  108    HE1  TYR  13           HE2      TYR  13  -3.065   0.298   0.298
  109    HE2  TYR  13           HE1      TYR  13  -3.406  -3.926  -3.926
  110    HH   TYR  13           HH       TYR  13  -5.003  -0.776  -0.776
  111    H    ASP  14           H        ASP  14   3.142  -1.560  -1.560
  112    HA   ASP  14           HA       ASP  14   5.440  -2.838  -2.838
  113   1HB   ASP  14          2HB       ASP  14   4.686  -2.125  -2.125
  114   2HB   ASP  14          1HB       ASP  14   5.695  -0.729  -0.729
  115    H    CYS  15           H        CYS  15   4.338   0.373   0.373
  116    HA   CYS  15           HA       CYS  15   6.851   1.631   1.631
  117   1HB   CYS  15          2HB       CYS  15   4.317   2.630   2.630
  118   2HB   CYS  15          1HB       CYS  15   5.632   3.511   3.511
  119    H    CYS  16           H        CYS  16   7.667   2.275   2.275
  120    HA   CYS  16           HA       CYS  16   8.031   0.519   0.519
  121   1HB   CYS  16          2HB       CYS  16   8.312   3.371   3.371
  122   2HB   CYS  16          1HB       CYS  16   8.834   2.727   2.727
  123    H    SER  17           H        SER  17   6.398   3.515   3.515
  124    HA   SER  17           HA       SER  17   4.902   3.186   3.186
  125   1HB   SER  17          2HB       SER  17   5.536   5.456   5.456
  126   2HB   SER  17          1HB       SER  17   4.456   5.201   5.201
  127    HG   SER  17           HG       SER  17   2.743   5.174   5.174
  128    H    GLY  18           H        GLY  18   4.357   2.178   2.178
  129   1HA   GLY  18          2HA       GLY  18   2.611   0.969   0.969
  130   2HA   GLY  18          1HA       GLY  18   1.959   0.730   0.730
  131    H    SER  19           H        SER  19   2.578   3.895   3.895
  132    HA   SER  19           HA       SER  19  -0.118   4.817   4.817
  133   1HB   SER  19          2HB       SER  19   2.525   5.958   5.958
  134   2HB   SER  19          1HB       SER  19   1.359   6.774   6.774
  135    HG   SER  19           HG       SER  19   1.419   7.628   7.628
  136    H    CYS  20           H        CYS  20   1.424   3.437   3.437
  137    HA   CYS  20           HA       CYS  20   0.594   4.499   4.499
  138   1HB   CYS  20          2HB       CYS  20   1.573   2.092   2.092
  139   2HB   CYS  20          1HB       CYS  20  -0.079   1.599   1.599
  140    H    GLY  21           H        GLY  21  -0.926   4.769   4.769
  141   1HA   GLY  21          2HA       GLY  21  -3.323   3.841   3.841
  142   2HA   GLY  21          1HA       GLY  21  -3.725   4.566   4.566
  143    H    ARG  22           H        ARG  22  -1.294   6.230   6.230
  144    HA   ARG  22           HA       ARG  22  -3.107   8.442   8.442
  145   1HB   ARG  22          2HB       ARG  22  -0.233   8.164   8.164
  146   2HB   ARG  22          1HB       ARG  22  -0.594   9.470   9.470
  147   1HG   ARG  22          2HG       ARG  22  -0.874  10.493  10.493
  148   2HG   ARG  22          1HG       ARG  22  -2.518  10.114  10.114
  149   1HD   ARG  22          2HD       ARG  22  -1.767   7.792   7.792
  150   2HD   ARG  22          1HD       ARG  22  -0.872   9.052   9.052
  151    HE   ARG  22           HE       ARG  22  -3.541   9.950   9.950
  152   1HH1  ARG  22          2HH1      ARG  22  -1.703   7.572   7.572
  153   2HH1  ARG  22          1HH1      ARG  22  -2.816   7.519   7.519
  154   1HH2  ARG  22          1HH2      ARG  22  -4.964   9.891   9.891
  155   2HH2  ARG  22          2HH2      ARG  22  -4.689   8.847   8.847
  156    H    SER  23           H        SER  23  -2.866   6.041   6.041
  157    HA   SER  23           HA       SER  23  -2.796   5.202   5.202
  158   1HB   SER  23          2HB       SER  23  -3.314   6.777   6.777
  159   2HB   SER  23          1HB       SER  23  -4.096   7.421   7.421
  160    HG   SER  23           HG       SER  23  -2.799   9.052   9.052
  161    H    GLY  24           H        GLY  24  -0.826   4.290   4.290
  162   1HA   GLY  24          2HA       GLY  24   1.250   3.540   3.540
  163   2HA   GLY  24          1HA       GLY  24   1.328   4.926   4.926
  164    H    LYS  25           H        LYS  25   0.588   6.246   6.246
  165    HA   LYS  25           HA       LYS  25   3.442   6.647   6.647
  166   1HB   LYS  25          2HB       LYS  25   2.887   8.672   8.672
  167   2HB   LYS  25          1HB       LYS  25   1.155   8.525   8.525
  168   1HG   LYS  25          2HG       LYS  25   1.824   8.924   8.924
  169   2HG   LYS  25          1HG       LYS  25   3.417   9.255   9.255
  170   1HD   LYS  25          2HD       LYS  25   2.606  11.093  11.093
  171   2HD   LYS  25          1HD       LYS  25   0.939  10.744  10.744
  172   1HE   LYS  25          2HE       LYS  25   1.532  12.543  12.543
  173   2HE   LYS  25          1HE       LYS  25   1.649  11.132  11.132
  174   1HZ   LYS  25          1HZ       LYS  25   4.095  11.190  11.190
  175   2HZ   LYS  25          3HZ       LYS  25   3.734  12.848  12.848
  176   3HZ   LYS  25          2HZ       LYS  25   3.652  12.005  12.005
  177    H    CYS  26           H        CYS  26   3.895   6.922   6.922
  178    HA   CYS  26           HA       CYS  26   2.319   5.228   5.228
  179   1HB   CYS  26          2HB       CYS  26   4.909   6.649   6.649
  180   2HB   CYS  26          1HB       CYS  26   4.233   5.785   5.785
  181   1HN   NH2  27          1HT       CYS  26   0.388   6.351   6.351
  182   2HN   NH2  27          2HT       CYS  26   0.388   7.783   7.783