*HEADER    DE NOVO PROTEIN                         17-NOV-03   1RIK              
*TITLE     E6-BINDING ZINC FINGER (E6APC1)                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E6APC1 PEPTIDE;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED                
*KEYWDS    E6-BINDING DOMAIN, ZINC FINGER, HUMAN PAPILLOMAVIRUS, HPV             
*KEYWDS   2 E6 PROTEIN                                                           
*EXPDTA    NMR, 50 STRUCTURES                                                    
*AUTHOR    Y.LIU, Z.LIU, E.ANDROPHY, J.CHEN, J.D.BALEJA                          
*REVDAT   1   03-AUG-04 1RIK    0                                                
??NOE constraints

!1Y                    

assign (resid 1 and name HD# ) (resid 1 and name HA ) 3.13 1.33 2.73        

assign (resid 1 and name HA ) (resid 2 and name HN ) 2.44 0.64 0.50        

assign (resid 1 and name HB# ) (resid 2 and name HN ) 3.14 1.34 2.00

assign (resid 1 and name HB# ) (resid 11 and name HB1 ) 3.00 1.20 2.30

assign (resid 1 and name HB# ) (resid 11 and name HB2 ) 3.00 1.20 2.30

assign (resid 1 and name HB# ) (resid 12 and name HN ) 3.56 1.76 2.41        

assign (resid 1 and name HA ) (resid 13 and name HG# ) 3.53 1.23 2.40 ! WEAK

assign (resid 1 and name HD# ) (resid 13 and name HB# ) 3.67 1.87 3.80 

assign (resid 1 and name HD# ) (resid 13 and name HG# ) 4.41 2.63 3.80 !HG=HG1



!2K                        

assign (resid 2 and name HN ) (resid 2 and name HA ) 2.90 1.10 0.60

assign (resid 2 and name HN ) (resid 2 and name HB# ) 2.53 0.73 2.00

assign (resid 2 and name HN ) (resid 3 and name HN ) 2.96 1.16 0.59            

assign (resid 2 and name HB# ) (resid 3 and name HE# ) 3.02 1.22 3.80

assign (resid 2 and name HB# ) (resid 3 and name HD# ) 3.03 1.23 3.80

assign (resid 2 and name HA ) (resid 3 and name HD# ) 4.18 2.40 2.90

                        

!3F           HB = HB2  HB' =HB1  chi=-60

assign (resid 3 and name HN ) (resid 3 and name HA ) 3.43 1.63 0.69            

assign (resid 3 and name HN ) (resid 3 and name HB2 ) 3.17 1.37 0.63            

assign (resid 3 and name HN ) (resid 3 and name HB1 ) 2.52 0.72 0.85 !  0.25           

assign (resid 3 and name HE# ) (resid 3 and name HB1 ) 3.40 1.60 2.80

assign (resid 3 and name HD# ) (resid 4 and name HN ) 3.89 2.09 2.90

assign (resid 3 and name HB2 ) (resid 4 and name HN ) 3.50 1.70 0.70      

assign (resid 3 and name HB1 ) (resid 4 and name HN ) 4.06 2.26 0.81      

assign (resid 3 and name HN ) (resid 12 and name HN ) 3.52 1.72 0.70            

assign (resid 3 and name HB2 ) (resid 12 and name HN ) 3.67 1.87 0.73      

assign (resid 3 and name HB1 ) (resid 12 and name HN ) 3.22 1.42 0.64      

assign (resid 3 and name HE# ) (resid 14 and name HA ) 3.30 1.50 2.76         

assign (resid 3 and name HD# ) (resid 15 and name HN ) 4.04 2.24 2.91

assign (resid 3 and name HD# ) (resid 15 and name HA ) 3.21 1.41 2.74

assign (resid 3 and name HE# ) (resid 15 and name HN ) 3.41 1.61 2.78            

assign (resid 3 and name HE# ) (resid 15 and name HB2 )  3.01 1.21 2.70

assign (resid 3 and name HE# ) (resid 15 and name HA ) 3.50 1.70 2.80

assign (resid 3 and name HD# ) (resid 18 and name HD2# ) 2.73 0.93 3.50            

assign (resid 3 and name HB2 ) (resid 18 and name HB1 ) 3.31 1.51 1.00

assign (resid 3 and name HB2 ) (resid 18 and name HD1# ) 2.66 0.86 1.50      

assign (resid 3 and name HB2 ) (resid 18 and name HD2# ) 2.36 0.56 1.50      

assign (resid 3 and name HB1 ) (resid 18 and name HD1# ) 2.73 0.93 1.50      

assign (resid 3 and name HB1 ) (resid 18 and name HD2# ) 2.86 1.06 1.50  

                  

!4A                  

assign (resid 4 and name HN ) (resid 4 and name HB# ) 2.43 0.63 1.40

assign (resid 4 and name HB# ) (resid 5 and name HN ) 2.82 1.02 2.00

assign (resid 4 and name HA ) (resid 5 and name HB2 )  3.50 1.70 1.50 ! INPUT BY 092802

assign (resid 4 and name HN ) (resid 18 and name HD2# ) 3.15 1.35 1.63      



                

!C5      confirmed by 091202 HB=HB1 HB'=HB2  since it is -SH, HB1, HB2 is different from other. chi=-180

assign (resid 5 and name HN ) (resid 5 and name HB1 ) 2.49 0.69 0.30 !0.25      

assign (resid 5 and name HN ) (resid 5 and name HB2 ) 2.60 0.80 0.30 !0.26     

assign (resid 5 and name HN ) (resid 5 and name HA ) 3.60 1.80 0.72      

assign (resid 5 and name HB1 ) (resid 5 and name HB2 ) 1.90 0.14 0.19          

assign (resid 5 and name HB1 ) (resid 7 and name HN ) 3.32 1.52 0.66          

assign (resid 5 and name HB2 ) (resid 7 and name HN ) 3.75 1.95 0.75          

assign (resid 5 and name SG ) (resid 8 and name SG ) 3.50 0.10 0.10 !artificial

assign (resid 5 and name HB2 ) (resid 8 and name HN ) 3.14 1.34 0.63 ! INPUT BY 100102

assign (resid 5 and name HB1 ) (resid 10 and name HN ) 3.42 1.62 0.68     ! measured!

assign (resid 5 and name HN ) (resid 12 and name HE# ) 3.68 1.88 2.84      

assign (resid 5 and name HB1 ) (resid 12 and name HE# ) 3.49 1.69 2.80          

assign (resid 5 and name HN ) (resid 18 and name HD2# ) 3.20 1.40 1.64      

assign (resid 5 and name HB2 ) (resid 18 and name HD2# ) 2.71 0.91 1.54          

assign (resid 5 and name SG ) (resid 21 and name NE2 ) 3.50 0.10 0.10 !artificial

assign (resid 5 and name SG ) (resid 25 and name NE2 ) 3.50 0.10 0.10 !artificial

assign (resid 5 and name HB2 ) (resid 25 and name HD2 ) 4.42 2.62 0.88      



!6P    HD=HD2 HD'=HD1  HG=HG1  HG'=HG2                 

assign (resid 6 and name HD1 ) (resid 6 and name HD2 ) 2.28 0.48 0.30          

assign (resid 6 and name HD2 ) (resid 6 and name HG1 ) 3.07 1.27 0.61          

assign (resid 6 and name HD2 ) (resid 6 and name HG2 ) 2.72 0.92 0.30          

assign (resid 6 and name HD1 ) (resid 6 and name HB# ) 3.00 2.20 2.30

assign (resid 6 and name HG2 ) (resid 7 and name HN ) 3.05 1.25 0.61          

assign (resid 6 and name HD2 ) (resid 7 and name HN ) 3.00 1.20 2.00

assign (resid 6 and name HD1 ) (resid 7 and name HN ) 4.00 2.20 2.00

assign (resid 6 and name HD2 ) (resid 22 and name HG2# ) 3.20 1.40 1.64          

assign (resid 6 and name HD2 ) (resid 22 and name HD# ) 3.35 1.55 1.67          

assign (resid 6 and name HG1 ) (resid 22 and name HD# ) 3.10 1.30 1.62          

assign (resid 6 and name HG1 ) (resid 22 and name HG2# ) 3.64 1.84 1.73          !????

assign (resid 6 and name HD2 ) (resid 22 and name HG) 4.18 2.42 0.84

 

!7E           check  HB=HB1   HB'=HB2     chi=60   

assign (resid 7 and name HN ) (resid 7 and name HA ) 3.09 1.29 0.62          

assign (resid 7 and name HN ) (resid 7 and name HB2 )  2.57 0.77 0.82   ! right  0.30  

assign (resid 7 and name HN ) (resid 7 and name HG# ) 2.78 0.98 1.98

assign (resid 7 and name HN ) (resid 7 and name HB1 )  2.75 0.95 0.65  ! 0.35        

assign (resid 7 and name HA ) (resid 7 and name HB1 ) 2.74 0.94 0.54          

assign (resid 7 and name HA ) (resid 7 and name HB2 )  3.09 1.29 0.62          

assign (resid 7 and name HN ) (resid 8 and name HB1 ) 4.18 2.38 0.84          

assign (resid 7 and name HA ) (resid 8 and name HN ) 3.72 1.92 0.74          

assign (resid 7 and name HN ) (resid 8 and name HN ) 2.34 0.54 0.30          

assign (resid 7 and name HB2 ) (resid 8 and name HN ) 3.12 1.32 0.62      ! input

assign (resid 7 and name HG# ) (resid 8 and name HN ) 3.94 2.14 2.49      

assign (resid 7 and name HB1 ) (resid 25 and name HE1 ) 3.61 1.81 0.72    !"1.636"

assign (resid 7 and name HB1 ) (resid 25 and name HD2 ) 4.05 2.25 0.81    ! HB1=1.654   

assign (resid 7 and name HB2 ) (resid 25 and name HD2 ) 3.50 1.71 1.50   ! 

assign (resid 7 and name HG# ) (resid 25 and name HD2 ) 3.50 1.71 2.40 !

 

!8C       confirmed by 091102  HB=HB2   HB'=HB1 since it is -SH, HB1, HB2 is different from other.

assign (resid 8 and name HN ) (resid 8 and name HB2 ) 3.83 2.03 0.77      ! 3.63

assign (resid 8 and name HN ) (resid 8 and name HB1 ) 3.08 1.28 0.62      !2.82

assign (resid 8 and name HA ) (resid 8 and name HB2 ) 2.33 0.53 0.30

assign (resid 8 and name HA ) (resid 8 and name HB1 ) 2.47 0.67 0.30

assign (resid 8 and name HA ) (resid 9 and name HD2 ) 2.75 0.95 0.30      ! "3.599 "

assign (resid 8 and name HA ) (resid 9 and name HD1 ) 2.19 0.39 0.55      !" 3.86 "

assign (resid 8 and name HA ) (resid 9 and name HD2 ) 2.75 0.95 0.30

assign (resid 8 and name HB2 ) (resid 9 and name HD1 ) 2.56 0.76 0.30      

assign (resid 8 and name HB1 ) (resid 9 and name HD1 ) 3.05 1.25 0.61      

assign (resid 8 and name HB2 ) (resid 9 and name HD2 ) 2.56 0.76 0.30

assign (resid 8 and name HB1 ) (resid 9 and name HD2 ) 2.92 1.12 0.58

assign (resid 8 and name HB1 ) (resid 9 and name HG# ) 3.78 1.98 2.00

assign (resid 8 and name HB2 ) (resid 10 and name HN ) 4.06 2.26 0.81      

assign (resid 8 and name HB1 ) (resid 10 and name HN ) 4.40 2.60 0.88      

assign (resid 8 and name SG ) (resid 21 and name NE2 ) 3.50 0.10 0.10 !artificial

assign (resid 8 and name SG ) (resid 25 and name NE2 ) 3.50 0.10 0.10 !artificial

assign (resid 8 and name HB2 ) (resid 25 and name HE1 ) 3.10 1.30 0.62      

assign (resid 8 and name HB1 ) (resid 25 and name HE1 ) 2.47 0.67 0.30      

!assign (resid 8 and name HA ) (resid 9 and name HB# ) 3.25 1.45 2.36



!9P     check HD3.86 =HD1; HD'3.599 =HD2; HB2.375=HB1;  HG1.936=HG#     

assign (resid 9 and name HD1 ) (resid 9 and name HD2 ) 1.94 0.20 0.19      

assign (resid 9 and name HD1 ) (resid 9 and name HB# )  3.34 1.54 2.36

assign (resid 9 and name HD2 ) (resid 9 and name HB# )  3.35 1.55 2.36

assign (resid 9 and name HD1 ) ((resid 9 and name HG# ) 2.31 0.51 1.46

assign (resid 9 and name HD2 ) ((resid 9 and name HG# ) 2.30 0.50 1.46

assign (resid 9 and name HD2 ) (resid 10 and name HN ) 3.31 1.51 0.66      

assign (resid 9 and name HA ) (resid 10 and name HN ) 3.82 2.02 0.76      

                  

!10K            HB=HB1=1.35    HB2=HG=1.157   HG#=1.5 chi=-60

assign (resid 10 and name HN ) (resid 10 and name HA ) 2.67 0.87 0.30      

assign (resid 10 and name HN ) (resid 10 and name HB1 ) 2.23 0.43 1.35 ! cs1.373?  mixing with S15HN/R14HB      

assign (resid 10 and name HN ) (resid 10 and name HB2 ) 2.99 1.19 0.60 ! cs1.153?    

assign (resid 10 and name HA ) (resid 11 and name HN ) 2.07 0.30 0.30      

assign (resid 10 and name HB2 ) (resid 11 and name HN ) 2.79 0.99 0.80

assign (resid 10 and name HB1 ) (resid 12 and name HZ ) 2.91 1.11 0.58

assign (resid 10 and name HB2 )(resid 12 and name HZ )  2.74 0.94 0.54

assign (resid 10 and name HB1 ) (resid 12 and name HE# ) 2.75 0.95 0.55 ! input by 093002

assign (resid 10 and name HG# ) (resid 12 and name HZ ) 2.86 1.00 2.30

assign (resid 10 and name HG# ) (resid 12 and name HE# ) 3.00 1.20 3.80

assign (resid 10 and name HG# ) (resid 21 and name HE1 ) 3.04 1.24 0.60   ! 1.506 

assign (resid 10 and name HG# ) (resid 21 and name HE1 ) 2.96 1.16 2.29   ! 1.5

assign (resid 10 and name HB2 ) (resid 21 and name HE1 ) 3.69 1.82 0.80

assign (resid 10 and name HB1 ) (resid 21 and name HE1 ) 2.96 1.16 0.60 

                 

!11R          HG=HG1  HG'=HG2   HB=HB2=1.75  HB'=HB1=1.35      

assign (resid 11 and name HN ) (resid 11 and name HB1 ) 2.50 0.70 1.25 !(resid 11 and name HB# ) mixing with K10HB/R11HN

assign (resid 11 and name HA ) (resid 11 and name HB2 ) 2.50 0.70 0.50 !(resid 11 and name HB# ) 

assign (resid 11 and name HA ) (resid 11 and name HG# ) 2.83 1.03 2.00 !  (resid 11 and name HG1 ) 

assign (resid 11 and name HA ) (resid 11 and name HB1 ) 2.73 0.93 0.50 !(resid 11 and name HG2 ) 

assign (resid 11 and name HN ) (resid 11 and name HA ) 3.44 1.64 0.69      

assign (resid 11 and name HN ) (resid 12 and name HN ) 4.26 2.46 0.85      

assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.27 1.47 0.66



!12F      HB=HB2 HB'=HB1

assign (resid 12 and name HN ) (resid 12 and name HA ) 2.64 0.84 0.30      

assign (resid 12 and name HN ) (resid 12 and name HB2 ) 3.35 1.55 0.67      

assign (resid 12 and name HA ) (resid 12 and name HB2 ) 2.52 0.72 0.30

assign (resid 12 and name HB2 ) (resid 12 and name HB1 ) 1.89 0.15 0.19      

assign (resid 12 and name HA ) (resid 12 and name HB1 ) 2.78 0.98 0.30

assign (resid 12 and name HA ) (resid 13 and name HN ) 3.39 1.59 0.68      

assign (resid 12 and name HB2 ) (resid 13 and name HN ) 3.17 1.37 0.63      

assign (resid 12 and name HB1 ) (resid 13 and name HN ) 4.12 2.32 0.82      

assign (resid 12 and name HN ) (resid 18 and name HD2# ) 3.59 1.79 1.72      

assign (resid 12 and name HB1 ) (resid 18 and name HB1 ) 3.79 1.99 0.80

assign (resid 12 and name HB1 ) (resid 18 and name HD1# ) 2.92 1.12 1.29      

assign (resid 12 and name HB2 ) (resid 18 and name HN ) 3.66 1.86 0.73      

assign (resid 12 and name HE# ) (resid 18 and name HA ) 3.26 1.46 2.75

assign (resid 12 and name HZ ) (resid 18 and name HA ) 4.12 2.32 0.82      

assign (resid 12 and name HE# ) (resid 21 and name HB2 ) 3.18 1.38 2.74

assign (resid 12 and name HE# ) (resid 21 and name HB1 ) 3.02 1.22 2.70

assign (resid 12 and name HZ ) (resid 21 and name HD2 ) 4.04 2.24 0.81      

assign (resid 12 and name HZ ) (resid 21 and name HE1 ) 3.89 2.09 0.78      

assign (resid 12 and name HZ ) (resid 21 and name HB2 ) 3.22 1.42 0.64      

assign (resid 12 and name HZ ) (resid 21 and name HB1 ) 2.72 0.92 0.30      



!13M        

assign (resid 13 and name HN ) (resid 13 and name HG1 ) 3.30 1.87 0.66 !

assign (resid 13 and name HN ) (resid 13 and name HG2 ) 3.67 1.87 0.73

assign (resid 13 and name HN ) (resid 13 and name HB# ) 3.82 2.02 2.46

assign (resid 13 and name HN ) (resid 13 and name HA ) 3.39 1.59 0.68       



!14R   check HB2 1.938;   HB1 0.955;  HG1 1.512;  HG2 ~ 1.3   chi=-60

assign (resid 14 and name HE ) (resid 14 and name HD2 ) 3.20 1.40 0.74   ! HD' INPUT BY 100102

assign (resid 14 and name HE ) (resid 14 and name HD1 ) 3.63 1.81 0.74   ! HD  INPUT BY 100102

assign (resid 14 and name HE ) (resid 14 and name HB2 ) 3.03 1.23 0.74   ! HD' INPUT BY 100102

assign (resid 14 and name HE ) (resid 14 and name HB1 ) 3.94 2.14 0.80   ! HD  INPUT BY 100102

assign (resid 14 and name HA ) (resid 14 and name HB2 ) 3.80 2.00 0.76      

assign (resid 14 and name HA ) (resid 14 and name HG# ) 3.79 1.99 2.46 ! ((resid 14 and name HG1 ) OR (resid 14 and name HG2 ))=>HG#

assign (resid 14 and name HE ) (resid 14 and name HB2) 4.04 2.24 0.81      

assign (resid 14 and name HE ) (resid 14 and name HG# ) 3.05 1.25 2.31

assign (resid 14 and name HD1 ) (resid 14 and name HD2 ) 2.09 0.29 0.30      

assign (resid 17 and name HE1 ) (resid 14 and name HD# ) 3.24 1.44 2.35 !(resid 16 and name HB1 ) 

assign (resid 14 and name HA ) (resid 15 and name HN ) 2.94 1.14 0.30      

assign (resid 14 and name HB1 ) (resid 15 and name HN ) 3.99 2.19 0.80      ! TO DISTINGUISH THE HB1 AND HB2.

assign (resid 14 and name HB2 ) (resid 15 and name HN ) 3.15 1.35 0.63      

assign (resid 14 and name HG# ) (resid 15 and name HN ) 4.19 2.39 2.54

assign (resid 14 and name HB2) (resid 16 and name HN ) 3.71 1.91 0.74      

assign (resid 14 and name HB1) (resid 16 and name HN ) 2.98 1.18 0.60 ! INPUT BY 100102    

assign (resid 14 and name HA ) (resid 17 and name HN ) 4.09 2.29 0.82      

assign (resid 14 and name HB1 ) (resid 17 and name HB1 ) 3.73 1.93 0.75      !(resid 17 and name HB2 ) 

assign (resid 14 and name HB2 ) (resid 17 and name HB1 ) 3.07 1.27 0.31      !(resid 17 and name HB1 ) 

assign (resid 14 and name HD# ) (resid 17 and name HE1 ) 3.24 1.44 2.35 !(resid 16 and name HB1 ) 



!15S    HB=HB2; HB'=HB1;   since it is a -OH group, HB1 and HB2 are different  from other.           

assign (resid 15 and name HB1 ) (resid 15 and name HB2 ) 2.00 0.30 0.70

assign (resid 15 and name HB2 ) (resid 15 and name HA ) 1.81 0.01 0.20          

assign (resid 15 and name HN ) (resid 15 and name HA ) 2.87 1.07 0.30          

assign (resid 15 and name HN ) (resid 15 and name HB1 ) 2.78 0.98 0.30          

assign (resid 15 and name HN ) (resid 15 and name HB2 ) 3.08 1.28 0.62          

assign (resid 15 and name HB2 ) (resid 16 and name HN ) 3.84 2.04 0.77          

assign (resid 15 and name HB1 ) (resid 16 and name HN ) 3.41 1.61 0.91  ! 0.68      

assign (resid 15 and name HA ) (resid 16 and name HN ) 3.79 1.99 0.76      

assign (resid 15 and name HA ) (resid 18 and name HN ) 3.19 1.39 0.64      

  

!16D 

assign (resid 16 and name HN ) (resid 16 and name HA ) 2.97 1.17 0.59      

assign (resid 16 and name HN ) (resid 16 and name HB1 ) 2.89 1.09 0.58

assign (resid 16 and name HN ) (resid 16 and name HB2 ) 3.28 1.48 0.66      

assign (resid 16 and name HA ) (resid 16 and name HB1 ) 2.41 0.61 0.48  ! UPPER LIMIT 0.25    

assign (resid 16 and name HA ) (resid 16 and name HB2 ) 2.46 0.66 0.30  ! UPPER LIMIT 0.25    

assign (resid 16 and name HN ) (resid 17 and name HN ) 2.91 1.11 0.30      

assign (resid 16 and name HA ) (resid 17 and name HN ) 3.24 1.44 0.65      

assign (resid 16 and name HB1 ) (resid 17 and name HN ) 4.02 2.22 0.80      

assign (resid 16 and name HB2 ) (resid 17 and name HN ) 4.35 2.55 0.87      

assign (resid 16 and name HB2 ) (resid 17 and name HD2 ) 4.05 2.25 0.81      

assign (resid 16 and name HB1 ) (resid 17 and name HD2 ) 3.86 2.06 0.77      

assign (resid 16 and name HN ) (resid 18 and name HN ) 4.38 2.58 0.88   

assign (resid 16 and name HA ) (resid 19 and name HG# ) 3.37 1.57 1.67      

assign (resid 16 and name HA ) (resid 19 and name HN ) 2.96 1.16 0.59  



!17H      HB=HB1  HB'=HB2             

assign (resid 17 and name HA ) (resid 17 and name HB2 ) 2.95 1.15 0.59   !3.01   

assign (resid 17 and name HA ) (resid 17 and name HB1 ) 2.53 0.73 0.30   !2.37   

assign (resid 17 and name HN ) (resid 17 and name HA ) 2.59 0.79 0.30      

assign (resid 17 and name HD2 ) (resid 17 and name HB2 ) 3.66 1.86 0.73      

assign (resid 17 and name HD2 ) (resid 17 and name HB2 ) 3.26 1.46 0.65      !(resid 17 and name HB1 ) 

assign (resid 17 and name HE1 ) (resid 17 and name HB1 ) 4.14 2.34 1.10      !(resid 17 and name HB2 ) 

assign (resid 17 and name HE1 ) (resid 17 and name HB2 ) 3.77 1.97 1.10

assign (resid 17 and name HA ) (resid 18 and name HN ) 3.58 1.78 0.72      

assign (resid 17 and name HB2 ) (resid 18 and name HN ) 3.65 1.85 0.73      !

!assign (resid 17 and name HA ) (resid 18 and name HN ) 3.74 1.94 0.75      

!assign (resid 17 and name HB1 ) (resid 18 and name HN ) 3.24 1.44 0.65            

assign (resid 17 and name HA ) ((resid 20 and name HD1# ) OR (resid 20 and name HD2# )) 3.04 1.24 1.30           !DD 0.92 

assign (resid 17 and name HA ) (resid 20 and name HN ) 3.14 1.34 0.63         

assign (resid 17 and name HB1 ) (resid 20 and name HN ) 3.50 1.70 1.50 !artificial 2.46 0.66 1.00 !H17 HB mixing with others.(resid 17 and name HB2 ) 

assign (resid 17 and name HA ) (resid 20 and name HB1 ) 2.51 0.75 0.50

assign (resid 17 and name HA ) (resid 20 and name HB2 ) 2.73 0.96 0.54

assign (resid 17 and name HA ) ((resid 20 and name HD1# ) OR (resid 20 and name HD2# )) 3.50 0.75 2.50



!18L      hb#=HB2 HG#=HB1 chi=-180;  HD=HD1#=1.25  HD'=HD2#=1.107   check  hb#=HB1 HG#=HB2

assign (resid 18 and name HN ) (resid 18 and name HB1 ) 2.40 0.60 0.80 !"2.093"    

assign (resid 18 and name HN ) (resid 18 and name HB2 ) 3.80 2.00 0.76      

assign (resid 18 and name HN ) (resid 18 and name HD1# ) 2.56 0.76 1.50      

assign (resid 18 and name HN ) (resid 18 and name HD2# ) 3.56 1.76 2.00 ! 1.71      

assign (resid 18 and name HB2 ) (resid 18 and name HB1 ) 1.97 0.20 0.20 ! IN D2O    

assign (resid 18 and name HN ) (resid 18 and name HA ) 2.50 0.70 0.30      

assign (resid 18 and name HA ) (resid 18 and name HB1 ) 2.81 1.01 0.56 

assign (resid 18 and name HA ) (resid 18 and name HB2 ) 3.13 1.33 0.63            

assign (resid 18 and name HA ) (resid 18 and name HD1# ) 2.44 0.64 1.48 !1.24           

assign (resid 18 and name HA ) (resid 18 and name HD2# ) 2.34 0.54 1.23            

assign (resid 18 and name HB1 ) (resid 18 and name HD1# ) 1.80 0.03 1.36 ! IN D2O    

assign (resid 18 and name HB2 ) (resid 18 and name HD2# ) 1.87 0.10 1.37 ! IN D2O    

assign (resid 18 and name HN ) (resid 19 and name HN ) 2.74 0.94 0.30            

assign (resid 18 and name HA ) (resid 19 and name HN ) 3.60 1.80 0.72            

assign (resid 18 and name HB1 ) (resid 19 and name HN ) 2.56 0.76 1.25

assign (resid 18 and name HB2 ) (resid 19 and name HA ) 3.38 1.58 2.00

assign (resid 18 and name HB2 ) (resid 19 and name HN ) 3.20 1.40 0.64   ! 2.91 1.11 0.29  MIXING WITH OTHERS.          

assign (resid 18 and name HD2# ) (resid 19 and name HN ) 3.30 1.50 1.66            

assign (resid 18 and name HA ) (resid 21 and name HN ) 3.17 1.37 0.63            

assign (resid 18 and name HA ) (resid 21 and name HB1 ) 2.61 0.81 0.30    !  "2.89"               

assign (resid 18 and name HD2# ) (resid 21 and name HB2 ) 3.16 1.36 2.00 !! upper 1.64

assign (resid 18 and name HA ) (resid 22 and name HN ) 3.63 1.83 0.73      



!19T                  

assign (resid 19 and name HA ) (resid 19 and name HG# ) 2.45 0.65 1.25      

assign (resid 19 and name HN ) (resid 19 and name HA  ) 2.45 0.65 0.30      

assign (resid 19 and name HN ) (resid 19 and name HB ) 2.49 0.69 0.30      

assign (resid 19 and name HN ) (resid 19 and name HG# ) 2.86 1.06 1.29      

assign (resid 19 and name HA ) (resid 19 and name HB  ) 3.14 1.34 0.63      

assign (resid 19 and name HN ) (resid 20 and name HN ) 3.03 1.23 0.61      

assign (resid 19 and name HA ) (resid 20 and name HN ) 3.00 1.20 0.60      

assign (resid 19 and name HB ) (resid 20 and name HN ) 2.73 0.91 0.54      

assign (resid 19 and name HG# ) (resid 20 and name HN ) 3.50 1.70 1.50 ! Estimated!

assign (resid 19 and name HA ) (resid 22 and name HB )  2.79 0.99 0.56  

assign (resid 19 and name HA ) (resid 22 and name HG11 ) 3.50 1.70 1.50 !! care

assign (resid 19 and name HA ) (resid 22 and name HG12 ) 3.33 1.53 0.67     

assign (resid 19 and name HA ) (resid 22 and name HD# ) 2.83 1.03 1.28      

assign (resid 19 and name HA ) (resid 22 and name HG2# ) 3.20 1.40 1.64      

assign (resid 19 and name HA ) (resid 22 and name HN ) 3.04 1.24 0.91   !mixing with others, so a big upper limit



!20L            HB=1.694=HB1        HB'=1.547=HB2    HD#= 0.870    chi=-60 

assign (resid 20 and name HN ) (resid 20 and name HA ) 2.64 0.84 0.30      

assign (resid 20 and name HA ) (resid 21 and name HN ) 3.55 1.75 0.71      

assign (resid 20 and name HB1 ) (resid 21 and name HN ) 2.87 1.07 0.30

assign (resid 20 and name HB2 ) (resid 21 and name HN ) 3.16 1.36 0.63  !HB'

assign (resid 20 and name HB1 ) (resid 21 and name HA ) 3.00 1.20 2.00 ! artificial  CS~1.70 input by 091902 mixing with others.

assign (resid 20 and name HG ) (resid 21 and name HN ) 4.02 2.20 0.80     

assign ((resid 20 and name HD1# ) OR (resid 20 and name HD2# )) (resid 21 and name HA ) 3.50 1.20 2.70 

assign ((resid 20 and name HD1# ) OR (resid 20 and name HD2# )) (resid 21 and name HN) 4.13 2.33 1.80     



!21H    HB=HB2=3.196  HB'=HB1=2.878     chi=-180    

assign (resid 21 and name HN ) (resid 21 and name HA ) 2.81 1.01 0.30      

assign (resid 21 and name HN ) (resid 21 and name HB1 ) 2.60 0.80 0.60 ! 3.24     

assign (resid 21 and name HN ) (resid 21 and name HB2 ) 2.56 0.76 0.60  ! 2.095    

assign (resid 21 and name HB1 ) (resid 21 and name HB2 ) 1.85 0.10 0.19      

assign (resid 21 and name HD2 ) (resid 21 and name HB2 ) 2.82 1.02 1.00 ! 0.28  6 times with a mean violation of  0.63    

assign (resid 21 and name HA ) (resid 21 and name HB2 ) 2.87 1.07 0.30      !2.90

assign (resid 21 and name HA ) (resid 21 and name HB1 ) 2.39 0.59 0.50      !10 times with a mean violation of  0.26

assign (resid 21 and name HN ) (resid 22 and name HN ) 2.73 0.93 0.30      

assign (resid 21 and name HA ) (resid 22 and name HN ) 3.69 1.89 0.74  

assign (resid 21 and name HE1 ) (resid 22 and name HG2# ) 2.74 0.94 1.50!! (resid 10/22 HG2# ) 2.74 0.94 1.27          

assign (resid 21 and name HB2 ) (resid 22 and name HN ) 2.69 0.89 0.84  !10 times with a mean violation of  0.32

assign (resid 21 and name HB1 ) (resid 22 and name HN ) 3.41 1.61 0.68  !4.09    

assign (resid 21 and name HD2 ) (resid 22 and name HD# ) 4.11 2.33 0.82

assign (resid 21 and name HD2 ) (resid 22 and name HG11 ) 3.04 1.27 0.61 !cs~2.0

assign (resid 21 and name HD2 ) (resid 22 and name HG12 ) 3.55 1.77 0.71 !CS1.55 

assign (resid 21 and name HA ) (resid 24 and name HN ) 3.35 1.55 0.67      

assign (resid 21 and name HE1 ) (resid 24 and name HD1# ) 3.64 1.84 1.73      ! 0.858 

assign (resid 21 and name HD2 ) (resid 24 and name HB# ) 3.50 1.70 1.50 ! ESTIMATED

assign (resid 21 and name NE2 ) (resid 25 and name NE2 ) 3.40 0.10 0.10 !artificial

assign (resid 21 and name HD2 ) (resid 25 and name HD2 ) 3.46 1.66 0.69      





!22I             refined by 090602 HG=HG11=1.95 HG'=HG12=1.55;      

assign (resid 22 and name HA ) (resid 22 and name HG11 ) 2.70 0.90 0.54 !2.589    

assign (resid 22 and name HA ) (resid 22 and name HG2# ) 2.58 0.78 0.60          

assign (resid 22 and name HA ) (resid 22 and name HD# ) 3.28 1.48 1.66           

assign (resid 22 and name HN ) (resid 22 and name HA ) 2.66 0.86 0.60          

assign (resid 22 and name HN ) (resid 22 and name HB ) 2.36 0.56 0.60     !?  0.24         

assign (resid 22 and name HN ) (resid 22 and name HG11 ) 2.55 0.75 0.51 !2.284 

assign (resid 22 and name HN ) (resid 22 and name HG12 ) 2.84 1.04 0.60      

assign (resid 22 and name HN ) (resid 22 and name HG2# ) 2.81 1.01 1.28      

assign (resid 22 and name HN ) (resid 22 and name HD# ) 3.61 1.81 1.72      

assign (resid 22 and name HN ) (resid 23 and name HN ) 2.67 0.87 0.60

assign (resid 22 and name HA) (resid 23 and name HN ) 3.50 1.70 1.50 !ambiguous

assign (resid 22 and name HB ) (resid 23 and name HN ) 3.00 1.70 1.00 ! Estimated!

assign (resid 22 and name HG2# ) (resid 23 and name HN ) 3.50 1.70 1.50 ! Estimated! wrong?  

assign (resid 22 and name HG2# ) (resid 23 and name HA ) 2.53 0.76 1.51  !ambiguous

assign (resid 22 and name HN ) (resid 24 and name HN ) 4.39 2.59 0.88           

assign (resid 22 and name HA ) (resid 24 and name HN ) 3.63 1.83 1.00

assign (resid 22 and name HA ) (resid 25 and name HD2 ) 2.42 0.62 0.60           

assign (resid 22 and name HA ) (resid 25 and name HN ) 3.35 1.55 0.67           

assign (resid 22 and name HB ) (resid 25 and name HD2 ) 4.06 2.26 0.81           

assign (resid 22 and name HG11 ) (resid 25 and name HD2 ) 3.35 1.55 2.00 

assign (resid 22 and name HG12 ) (resid 25 and name HD2 ) 3.38 1.58 0.68 !maybe it L24HB#

assign (resid 22 and name HG2# ) (resid 25 and name HD2 ) 3.28 1.48 1.66           



!23L       hb=1.845=HB1  HB'=1.576=HB2  chi=-180

assign (resid 23 and name HA ) (resid 23 and name HB1 ) 2.30 0.50 0.50

assign (resid 23 and name HN ) (resid 24 and name HN ) 3.16 1.36 0.63      

assign (resid 23 and name HB1 ) (resid 24 and name HN ) 3.04 1.24 0.62

assign (resid 23 and name HA ) (resid 26 and name HN ) 3.46 1.66 0.69      

assign (resid 23 and name HA ) (resid 26 and name HB# ) 3.50 1.74 2.00! Estimated  cs1.85!



!24L   refined by 092802    HD=HD1 HD'=HD2 check HB=HB# HB'=HG

assign (resid 24 and name HA ) (resid 24 and name HD2#) 2.32 0.52 1.50     !  (resid 24 and name HD' )      

assign (resid 24 and name HN ) (resid 24 and name HG ) 3.08 1.28 0.62      

assign (resid 24 and name HN ) (resid 24 and name HD1# ) 3.27 1.47 0.65      

assign (resid 24 and name HN ) (resid 24 and name HB# ) 2.43 0.63 2.00

assign (resid 24 and name HN ) (resid 24 and name HG ) 3.07 1.31 0.60      

assign (resid 24 and name HN ) (resid 25 and name HN ) 3.46 1.66 0.69      

assign (resid 24 and name HA ) (resid 25 and name HN ) 3.13 1.33 0.63

assign (resid 24 and name HB# ) (resid 25 and name HN ) 2.99 1.23 2.00

assign (resid 24 and name HG ) (resid 25 and name HN ) 3.99 2.23 0.80

assign (resid 24 and name HA ) (resid 27 and name HN ) 4.13 2.33 0.83           



!25H         HB=hb2   hb'=hb1  chi=-60

assign (resid 25 and name HN ) (resid 25 and name HA ) 3.78 1.98 0.76           

assign (resid 25 and name HN ) (resid 25 and name HE2 ) 4.34 2.54 0.87           

assign (resid 25 and name HD2 ) (resid 25 and name HB# ) 2.54 0.74 1.95

assign (resid 25 and name HA ) (resid 25 and name HB# ) 2.67 0.87 1.97      

assign (resid 25 and name HA ) (resid 26 and name HN ) 4.35 2.55 0.87      

assign (resid 25 and name HN ) (resid 26 and name HN ) 3.12 1.32 0.62           

assign (resid 25 and name HB# ) (resid 26 and name HN ) 3.22 1.42 2.00



!26E        check HG=HG2  HG'=HG1               

assign (resid 26 and name HA ) (resid 26 and name HB# ) 2.53 0.73 1.95           

assign (resid 26 and name HN ) (resid 26 and name HA ) 3.11 1.31 0.62           

assign (resid 26 and name HN ) (resid 26 and name HG2 ) 3.35 1.55 1.67           

assign (resid 26 and name HN ) (resid 26 and name HG1 ) 3.44 1.64 1.69           

assign (resid 26 and name HN ) (resid 26 and name HB# ) 2.50 0.70 1.95           

assign (resid 26 and name HA ) (resid 26 and name HG2 ) 3.99 2.19 1.00           

assign (resid 26 and name HA ) (resid 26 and name HG1 ) 3.32 1.52 1.00           

assign (resid 26 and name HN ) (resid 27 and name HN ) 3.08 1.28 0.62           

assign (resid 26 and name HA ) (resid 27 and name HN ) 4.13 2.33 0.83           

                       

!27N                       

assign (resid 27 and name HN ) (resid 27 and name HA ) 3.89 2.09 0.78           

assign (resid 27 and name HN ) (resid 27 and name HB# ) 2.68 0.88 2.00

assign (resid 27 and name HA ) (resid 28 and name HN ) 3.91 2.11 0.78     








  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    TYR   1           H        TYR   1  -9.368  14.940   5.564
    2    HA   TYR   1           HA       TYR   1  -7.514  12.700   5.103
    3   1HB   TYR   1          1HB       TYR   1 -10.356  13.283   4.234
    4   2HB   TYR   1          2HB       TYR   1  -9.394  11.937   3.637
    5    HD1  TYR   1           HD1      TYR   1  -8.114  10.917   6.059
    6    HD2  TYR   1           HD2      TYR   1 -12.074  12.366   5.487
    7    HE1  TYR   1           HE1      TYR   1  -8.886   9.532   7.938
    8    HE2  TYR   1           HE2      TYR   1 -12.855  10.986   7.364
    9    HH   TYR   1           HH       TYR   1 -11.706   8.573   8.480
   10    H    LYS   2           H        LYS   2  -5.945  13.386   3.775
   11    HA   LYS   2           HA       LYS   2  -6.539  15.394   1.735
   12   1HB   LYS   2          1HB       LYS   2  -4.068  14.383   3.045
   13   2HB   LYS   2          2HB       LYS   2  -3.920  14.965   1.393
   14   1HG   LYS   2          1HG       LYS   2  -3.421  16.805   2.752
   15   2HG   LYS   2          2HG       LYS   2  -5.069  17.081   2.184
   16   1HD   LYS   2          1HD       LYS   2  -5.994  16.450   4.271
   17   2HD   LYS   2          2HD       LYS   2  -4.460  15.778   4.827
   18   1HE   LYS   2          1HE       LYS   2  -3.563  18.181   4.532
   19   2HE   LYS   2          2HE       LYS   2  -5.263  18.648   4.522
   20   1HZ   LYS   2          1HZ       LYS   2  -5.480  17.480   6.687
   21   2HZ   LYS   2          2HZ       LYS   2  -4.449  18.821   6.737
   22   3HZ   LYS   2          3HZ       LYS   2  -3.801  17.259   6.700
   23    H    PHE   3           H        PHE   3  -4.918  12.210   1.913
   24    HA   PHE   3           HA       PHE   3  -5.539  11.822  -0.934
   25   1HB   PHE   3          1HB       PHE   3  -3.246  11.103   0.779
   26   2HB   PHE   3          2HB       PHE   3  -3.768   9.857  -0.337
   27    HD1  PHE   3           HD1      PHE   3  -2.749  13.418  -0.174
   28    HD2  PHE   3           HD2      PHE   3  -3.116   9.920  -2.573
   29    HE1  PHE   3           HE1      PHE   3  -1.507  14.532  -1.982
   30    HE2  PHE   3           HE2      PHE   3  -1.872  11.029  -4.384
   31    HZ   PHE   3           HZ       PHE   3  -1.067  13.337  -4.090
   32    H    ALA   4           H        ALA   4  -5.769   9.438  -1.522
   33    HA   ALA   4           HA       ALA   4  -7.026   7.780   0.507
   34   1HB   ALA   4          1HB       ALA   4  -9.072   7.447  -0.843
   35   2HB   ALA   4          2HB       ALA   4  -8.537   8.733  -1.924
   36   3HB   ALA   4          3HB       ALA   4  -8.910   9.095  -0.238
   37    H    CYS   5           H        CYS   5  -6.758   5.627   0.100
   38    HA   CYS   5           HA       CYS   5  -4.965   4.861  -1.972
   39   1HB   CYS   5          1HB       CYS   5  -5.378   3.801   0.389
   40   2HB   CYS   5          2HB       CYS   5  -6.601   2.866  -0.454
   41    HG   CYS   5           HG       CYS   5  -4.818   1.620  -1.712
   42    HA   PRO   6           HA       PRO   6  -7.960   4.020  -5.148
   43   1HB   PRO   6          1HB       PRO   6  -6.346   2.746  -6.891
   44   2HB   PRO   6          2HB       PRO   6  -6.231   4.487  -6.604
   45   1HG   PRO   6          1HG       PRO   6  -4.544   2.270  -5.507
   46   2HG   PRO   6          2HG       PRO   6  -4.044   3.855  -6.126
   47   1HD   PRO   6          1HD       PRO   6  -4.294   3.289  -3.469
   48   2HD   PRO   6          2HD       PRO   6  -4.516   4.915  -4.150
   49    H    GLU   7           H        GLU   7  -6.185   1.566  -3.438
   50    HA   GLU   7           HA       GLU   7  -7.848  -0.566  -4.563
   51   1HB   GLU   7          1HB       GLU   7  -5.192  -0.553  -4.092
   52   2HB   GLU   7          2HB       GLU   7  -5.760  -1.204  -2.561
   53   1HG   GLU   7          1HG       GLU   7  -6.657  -2.353  -5.177
   54   2HG   GLU   7          2HG       GLU   7  -5.142  -2.842  -4.422
   55    H    CYS   8           H        CYS   8  -6.839   0.731  -1.385
   56    HA   CYS   8           HA       CYS   8  -9.171  -0.619  -0.188
   57   1HB   CYS   8          1HB       CYS   8  -8.016  -0.637   1.890
   58   2HB   CYS   8          2HB       CYS   8  -6.879  -1.188   0.676
   59    HG   CYS   8           HG       CYS   8  -6.560   1.765   1.219
   60    HA   PRO   9           HA       PRO   9 -10.859   3.280   1.000
   61   1HB   PRO   9          1HB       PRO   9 -12.201   2.682   3.231
   62   2HB   PRO   9          2HB       PRO   9 -12.598   1.927   1.684
   63   1HG   PRO   9          1HG       PRO   9 -11.140   0.805   4.020
   64   2HG   PRO   9          2HG       PRO   9 -12.211  -0.006   2.867
   65   1HD   PRO   9          1HD       PRO   9  -9.388   0.014   2.825
   66   2HD   PRO   9          2HD       PRO   9 -10.457  -0.571   1.543
   67    H    LYS  10           H        LYS  10  -8.025   2.799   2.217
   68    HA   LYS  10           HA       LYS  10  -8.204   4.177   4.747
   69   1HB   LYS  10          1HB       LYS  10  -5.720   3.530   3.148
   70   2HB   LYS  10          2HB       LYS  10  -5.775   4.056   4.803
   71   1HG   LYS  10          1HG       LYS  10  -7.071   1.981   5.342
   72   2HG   LYS  10          2HG       LYS  10  -6.714   1.434   3.705
   73   1HD   LYS  10          1HD       LYS  10  -4.241   2.069   4.452
   74   2HD   LYS  10          2HD       LYS  10  -4.916   1.736   6.047
   75   1HE   LYS  10          1HE       LYS  10  -5.713  -0.463   5.157
   76   2HE   LYS  10          2HE       LYS  10  -4.816  -0.124   3.678
   77   1HZ   LYS  10          1HZ       LYS  10  -3.660  -0.371   6.403
   78   2HZ   LYS  10          2HZ       LYS  10  -2.785   0.012   5.007
   79   3HZ   LYS  10          3HZ       LYS  10  -3.521  -1.504   5.154
   80    H    ARG  11           H        ARG  11  -7.342   6.209   5.199
   81    HA   ARG  11           HA       ARG  11  -6.805   7.989   2.938
   82   1HB   ARG  11          1HB       ARG  11  -8.680   8.677   5.196
   83   2HB   ARG  11          2HB       ARG  11  -8.272   9.693   3.830
   84   1HG   ARG  11          1HG       ARG  11  -9.494   8.371   2.330
   85   2HG   ARG  11          2HG       ARG  11  -9.598   7.029   3.471
   86   1HD   ARG  11          1HD       ARG  11 -10.753   9.199   4.792
   87   2HD   ARG  11          2HD       ARG  11 -11.343   9.307   3.135
   88    HE   ARG  11           HE       ARG  11 -12.576   7.404   3.475
   89   1HH1  ARG  11          1HH1      ARG  11 -10.281   7.736   6.102
   90   2HH1  ARG  11          2HH1      ARG  11 -10.985   6.463   7.039
   91   1HH2  ARG  11          1HH2      ARG  11 -13.497   5.728   4.717
   92   2HH2  ARG  11          2HH2      ARG  11 -12.809   5.323   6.254
   93    H    PHE  12           H        PHE  12  -5.231   9.471   3.323
   94    HA   PHE  12           HA       PHE  12  -4.286   9.800   6.086
   95   1HB   PHE  12          1HB       PHE  12  -2.460   9.328   3.754
   96   2HB   PHE  12          2HB       PHE  12  -1.983   9.500   5.428
   97    HD1  PHE  12           HD1      PHE  12  -4.428   7.388   3.540
   98    HD2  PHE  12           HD2      PHE  12  -1.257   7.532   6.373
   99    HE1  PHE  12           HE1      PHE  12  -4.551   4.962   3.784
  100    HE2  PHE  12           HE2      PHE  12  -1.381   5.084   6.625
  101    HZ   PHE  12           HZ       PHE  12  -3.030   3.797   5.312
  102    H    MET  13           H        MET  13  -3.290  11.753   6.568
  103    HA   MET  13           HA       MET  13  -4.067  13.969   4.931
  104   1HB   MET  13          1HB       MET  13  -2.554  13.707   7.516
  105   2HB   MET  13          2HB       MET  13  -2.684  15.257   6.696
  106   1HG   MET  13          1HG       MET  13  -5.084  15.196   6.861
  107   2HG   MET  13          2HG       MET  13  -5.028  13.576   7.554
  108   1HE   MET  13          1HE       MET  13  -5.659  13.453  10.067
  109   2HE   MET  13          2HE       MET  13  -4.419  14.026  11.184
  110   3HE   MET  13          3HE       MET  13  -3.973  12.997   9.822
  111    H    ARG  14           H        ARG  14  -1.145  12.115   5.376
  112    HA   ARG  14           HA       ARG  14   0.411  14.039   3.804
  113   1HB   ARG  14          1HB       ARG  14   1.209  11.629   5.437
  114   2HB   ARG  14          2HB       ARG  14   2.334  12.496   4.404
  115   1HG   ARG  14          1HG       ARG  14   2.276  14.407   5.731
  116   2HG   ARG  14          2HG       ARG  14   0.776  13.923   6.524
  117   1HD   ARG  14          1HD       ARG  14   2.400  13.524   8.141
  118   2HD   ARG  14          2HD       ARG  14   2.133  11.933   7.423
  119    HE   ARG  14           HE       ARG  14   4.183  12.718   5.979
  120   1HH1  ARG  14          1HH1      ARG  14   3.704  13.123   9.429
  121   2HH1  ARG  14          2HH1      ARG  14   5.398  13.106   9.786
  122   1HH2  ARG  14          1HH2      ARG  14   6.407  12.691   6.463
  123   2HH2  ARG  14          2HH2      ARG  14   6.931  12.860   8.105
  124    H    SER  15           H        SER  15   1.753  13.236   2.045
  125    HA   SER  15           HA       SER  15   0.304  11.275   0.446
  126   1HB   SER  15          1HB       SER  15   0.674  12.866  -1.052
  127   2HB   SER  15          2HB       SER  15   1.975  13.600  -0.120
  128    HG   SER  15           HG       SER  15   3.402  12.483  -1.228
  129    H    ASP  16           H        ASP  16   3.589  11.870   1.666
  130    HA   ASP  16           HA       ASP  16   4.741   9.535   0.544
  131   1HB   ASP  16          1HB       ASP  16   5.755  11.749   1.755
  132   2HB   ASP  16          2HB       ASP  16   5.940  10.554   3.032
  133    H    HIS  17           H        HIS  17   3.553  10.265   3.825
  134    HA   HIS  17           HA       HIS  17   4.114   7.768   4.968
  135   1HB   HIS  17          1HB       HIS  17   2.292  10.027   5.626
  136   2HB   HIS  17          2HB       HIS  17   1.976   8.481   6.402
  137    HD1  HIS  17           HD1      HIS  17   2.602   9.736   8.647
  138    HD2  HIS  17           HD2      HIS  17   5.715   9.263   5.938
  139    HE1  HIS  17           HE1      HIS  17   4.697  10.184   9.949
  140    HE2  HIS  17           HE2      HIS  17   6.561  10.008   8.266
  141    H    LEU  18           H        LEU  18   1.217   8.948   3.286
  142    HA   LEU  18           HA       LEU  18  -0.418   6.714   3.671
  143   1HB   LEU  18          1HB       LEU  18  -1.057   8.949   2.701
  144   2HB   LEU  18          2HB       LEU  18  -0.341   8.428   1.197
  145    HG   LEU  18           HG       LEU  18  -2.459   6.746   2.456
  146   1HD1  LEU  18          1HD1      LEU  18  -2.788   9.454   1.394
  147   2HD1  LEU  18          2HD1      LEU  18  -3.833   8.516   2.454
  148   3HD1  LEU  18          3HD1      LEU  18  -3.880   8.248   0.714
  149   1HD2  LEU  18          1HD2      LEU  18  -1.936   5.608   0.616
  150   2HD2  LEU  18          2HD2      LEU  18  -1.107   6.985  -0.114
  151   3HD2  LEU  18          3HD2      LEU  18  -2.860   6.845  -0.240
  152    H    THR  19           H        THR  19   1.873   7.467   1.057
  153    HA   THR  19           HA       THR  19   1.410   5.144  -0.434
  154    HB   THR  19           HB       THR  19   3.947   6.791  -0.267
  155    HG1  THR  19           HG1      THR  19   1.712   6.996  -2.002
  156   1HG2  THR  19          1HG2      THR  19   3.008   4.818  -2.325
  157   2HG2  THR  19          2HG2      THR  19   4.515   4.806  -1.408
  158   3HG2  THR  19          3HG2      THR  19   4.243   6.037  -2.642
  159    H    LEU  20           H        LEU  20   3.456   5.799   2.352
  160    HA   LEU  20           HA       LEU  20   5.101   3.533   2.279
  161   1HB   LEU  20          1HB       LEU  20   5.220   5.550   3.846
  162   2HB   LEU  20          2HB       LEU  20   3.993   4.748   4.805
  163    HG   LEU  20           HG       LEU  20   5.595   2.776   4.962
  164   1HD1  LEU  20          1HD1      LEU  20   7.491   4.858   3.890
  165   2HD1  LEU  20          2HD1      LEU  20   7.081   3.310   3.149
  166   3HD1  LEU  20          3HD1      LEU  20   7.985   3.351   4.662
  167   1HD2  LEU  20          1HD2      LEU  20   6.844   3.780   6.788
  168   2HD2  LEU  20          2HD2      LEU  20   5.171   4.337   6.806
  169   3HD2  LEU  20          3HD2      LEU  20   6.446   5.393   6.197
  170    H    HIS  21           H        HIS  21   1.790   3.993   3.329
  171    HA   HIS  21           HA       HIS  21   1.418   1.497   4.606
  172   1HB   HIS  21          1HB       HIS  21  -0.525   2.493   5.120
  173   2HB   HIS  21          2HB       HIS  21  -0.118   3.840   4.096
  174    HD1  HIS  21           HD1      HIS  21  -2.280   4.341   2.923
  175    HD2  HIS  21           HD2      HIS  21  -1.366   0.304   2.857
  176    HE1  HIS  21           HE1      HIS  21  -4.108   3.210   1.598
  177    H    ILE  22           H        ILE  22   0.659   2.677   1.378
  178    HA   ILE  22           HA       ILE  22  -0.495   0.305   0.440
  179    HB   ILE  22           HB       ILE  22   0.860   2.247  -1.408
  180   1HG1  ILE  22          1HG1      ILE  22  -1.958   2.731  -0.670
  181   2HG1  ILE  22          2HG1      ILE  22  -0.797   3.140   0.569
  182   1HG2  ILE  22          1HG2      ILE  22  -0.475   0.006  -1.982
  183   2HG2  ILE  22          2HG2      ILE  22  -0.543   1.438  -3.008
  184   3HG2  ILE  22          3HG2      ILE  22  -1.841   1.116  -1.854
  185   1HD1  ILE  22          1HD1      ILE  22  -1.529   4.574  -1.769
  186   2HD1  ILE  22          2HD1      ILE  22   0.193   4.194  -1.827
  187   3HD1  ILE  22          3HD1      ILE  22  -0.475   5.059  -0.442
  188    H    LEU  23           H        LEU  23   2.697   0.692   1.288
  189    HA   LEU  23           HA       LEU  23   4.007  -0.721  -0.790
  190   1HB   LEU  23          1HB       LEU  23   4.666   0.260   1.877
  191   2HB   LEU  23          2HB       LEU  23   5.421  -1.282   1.531
  192    HG   LEU  23           HG       LEU  23   6.242  -0.183  -0.646
  193   1HD1  LEU  23          1HD1      LEU  23   4.796   1.776  -0.572
  194   2HD1  LEU  23          2HD1      LEU  23   6.496   2.247  -0.539
  195   3HD1  LEU  23          3HD1      LEU  23   5.543   2.282   0.943
  196   1HD2  LEU  23          1HD2      LEU  23   8.183   0.767   0.494
  197   2HD2  LEU  23          2HD2      LEU  23   7.698  -0.763   1.223
  198   3HD2  LEU  23          3HD2      LEU  23   7.296   0.759   2.019
  199    H    LEU  24           H        LEU  24   2.204  -1.701   2.080
  200    HA   LEU  24           HA       LEU  24   2.997  -4.456   1.924
  201   1HB   LEU  24          1HB       LEU  24   0.848  -4.713   3.417
  202   2HB   LEU  24          2HB       LEU  24   2.356  -4.100   4.053
  203    HG   LEU  24           HG       LEU  24   1.426  -1.776   3.686
  204   1HD1  LEU  24          1HD1      LEU  24  -1.120  -3.349   3.301
  205   2HD1  LEU  24          2HD1      LEU  24  -0.354  -2.282   2.125
  206   3HD1  LEU  24          3HD1      LEU  24  -1.042  -1.612   3.603
  207   1HD2  LEU  24          1HD2      LEU  24   0.638  -1.754   5.815
  208   2HD2  LEU  24          2HD2      LEU  24   1.428  -3.331   5.804
  209   3HD2  LEU  24          3HD2      LEU  24  -0.320  -3.219   5.594
  210    H    HIS  25           H        HIS  25   0.628  -2.568   0.284
  211    HA   HIS  25           HA       HIS  25  -1.360  -4.451  -0.235
  212   1HB   HIS  25          1HB       HIS  25  -0.460  -1.933  -1.477
  213   2HB   HIS  25          2HB       HIS  25  -1.342  -3.017  -2.546
  214    HD1  HIS  25           HD1      HIS  25  -3.722  -3.926  -1.262
  215    HD2  HIS  25           HD2      HIS  25  -2.086  -0.263  -0.190
  216    HE1  HIS  25           HE1      HIS  25  -5.581  -2.613  -0.155
  217    H    GLU  26           H        GLU  26   1.847  -4.171  -1.605
  218    HA   GLU  26           HA       GLU  26   1.625  -5.480  -4.006
  219   1HB   GLU  26          1HB       GLU  26   3.943  -6.137  -3.765
  220   2HB   GLU  26          2HB       GLU  26   3.722  -4.514  -3.132
  221   1HG   GLU  26          1HG       GLU  26   3.698  -5.409  -0.855
  222   2HG   GLU  26          2HG       GLU  26   3.931  -7.034  -1.497
  223    H    ASN  27           H        ASN  27   1.710  -6.928  -0.774
  224    HA   ASN  27           HA       ASN  27   1.553  -9.614  -1.874
  225   1HB   ASN  27          1HB       ASN  27   2.890  -9.007   0.208
  226   2HB   ASN  27          2HB       ASN  27   1.346  -8.833   1.036
  227   1HD2  ASN  27          1HD2      ASN  27   3.704 -11.006  -0.166
  228   2HD2  ASN  27          2HD2      ASN  27   2.944 -12.469   0.352
  229    H    LYS  28           H        LYS  28  -0.340 -10.369  -2.544
  230    HA   LYS  28           HA       LYS  28  -2.796  -9.440  -1.215
  231   1HB   LYS  28          1HB       LYS  28  -3.981 -10.139  -3.252
  232   2HB   LYS  28          2HB       LYS  28  -2.733  -8.952  -3.598
  233   1HG   LYS  28          1HG       LYS  28  -1.809 -11.712  -3.828
  234   2HG   LYS  28          2HG       LYS  28  -3.116 -11.302  -4.940
  235   1HD   LYS  28          1HD       LYS  28  -0.862  -9.382  -4.664
  236   2HD   LYS  28          2HD       LYS  28  -0.568 -10.880  -5.548
  237   1HE   LYS  28          1HE       LYS  28  -2.979  -9.221  -6.167
  238   2HE   LYS  28          2HE       LYS  28  -1.406  -8.763  -6.817
  239   1HZ   LYS  28          1HZ       LYS  28  -2.622 -10.150  -8.367
  240   2HZ   LYS  28          2HZ       LYS  28  -2.751 -11.383  -7.217
  241   3HZ   LYS  28          3HZ       LYS  28  -1.235 -10.956  -7.831
  242    H    LYS  29           H        LYS  29  -4.493 -10.962  -0.811
  243    HA   LYS  29           HA       LYS  29  -5.408 -12.921  -0.122
  244   1HB   LYS  29          1HB       LYS  29  -4.352 -13.777  -2.304
  245   2HB   LYS  29          2HB       LYS  29  -3.077 -14.432  -1.286
  246   1HG   LYS  29          1HG       LYS  29  -5.692 -15.148  -0.287
  247   2HG   LYS  29          2HG       LYS  29  -5.471 -15.657  -1.963
  248   1HD   LYS  29          1HD       LYS  29  -3.362 -16.186   0.104
  249   2HD   LYS  29          2HD       LYS  29  -4.750 -17.261  -0.070
  250   1HE   LYS  29          1HE       LYS  29  -4.126 -17.932  -2.200
  251   2HE   LYS  29          2HE       LYS  29  -3.128 -16.503  -2.467
  252   1HZ   LYS  29          1HZ       LYS  29  -1.776 -18.472  -2.123
  253   2HZ   LYS  29          2HZ       LYS  29  -2.492 -18.737  -0.614
  254   3HZ   LYS  29          3HZ       LYS  29  -1.533 -17.366  -0.866
  Start of MODEL    2
    1    H    TYR   1           H        TYR   1  -7.329  13.825   5.732
    2    HA   TYR   1           HA       TYR   1  -7.400  11.859   4.625
    3   1HB   TYR   1          1HB       TYR   1  -9.320  11.112   3.307
    4   2HB   TYR   1          2HB       TYR   1  -9.820  11.499   4.947
    5    HD1  TYR   1           HD1      TYR   1 -10.599  11.887   1.552
    6    HD2  TYR   1           HD2      TYR   1 -10.736  13.977   5.256
    7    HE1  TYR   1           HE1      TYR   1 -12.353  13.355   0.652
    8    HE2  TYR   1           HE2      TYR   1 -12.489  15.452   4.364
    9    HH   TYR   1           HH       TYR   1 -13.106  16.011   1.423
   10    H    LYS   2           H        LYS   2  -5.799  13.590   3.891
   11    HA   LYS   2           HA       LYS   2  -6.265  15.098   1.554
   12   1HB   LYS   2          1HB       LYS   2  -3.860  14.247   3.086
   13   2HB   LYS   2          2HB       LYS   2  -3.611  14.804   1.438
   14   1HG   LYS   2          1HG       LYS   2  -3.360  16.753   2.608
   15   2HG   LYS   2          2HG       LYS   2  -5.077  16.824   2.205
   16   1HD   LYS   2          1HD       LYS   2  -5.456  15.681   4.471
   17   2HD   LYS   2          2HD       LYS   2  -3.788  16.130   4.827
   18   1HE   LYS   2          1HE       LYS   2  -4.757  18.005   5.628
   19   2HE   LYS   2          2HE       LYS   2  -4.713  18.489   3.934
   20   1HZ   LYS   2          1HZ       LYS   2  -6.987  17.666   3.695
   21   2HZ   LYS   2          2HZ       LYS   2  -6.890  18.872   4.877
   22   3HZ   LYS   2          3HZ       LYS   2  -7.022  17.249   5.334
   23    H    PHE   3           H        PHE   3  -4.619  11.953   1.982
   24    HA   PHE   3           HA       PHE   3  -4.865  11.511  -0.913
   25   1HB   PHE   3          1HB       PHE   3  -2.838  10.800   1.097
   26   2HB   PHE   3          2HB       PHE   3  -3.258   9.496   0.007
   27    HD1  PHE   3           HD1      PHE   3  -1.695   9.258  -1.652
   28    HD2  PHE   3           HD2      PHE   3  -2.812  13.177  -0.420
   29    HE1  PHE   3           HE1      PHE   3  -0.223  10.216  -3.373
   30    HE2  PHE   3           HE2      PHE   3  -1.343  14.140  -2.139
   31    HZ   PHE   3           HZ       PHE   3  -0.046  12.660  -3.621
   32    H    ALA   4           H        ALA   4  -5.246   9.216  -1.573
   33    HA   ALA   4           HA       ALA   4  -6.758   7.596   0.315
   34   1HB   ALA   4          1HB       ALA   4  -8.709   7.422  -1.156
   35   2HB   ALA   4          2HB       ALA   4  -7.994   8.613  -2.242
   36   3HB   ALA   4          3HB       ALA   4  -8.457   9.079  -0.605
   37    H    CYS   5           H        CYS   5  -6.679   5.430  -0.131
   38    HA   CYS   5           HA       CYS   5  -4.817   4.588  -2.172
   39   1HB   CYS   5          1HB       CYS   5  -5.076   3.619   0.219
   40   2HB   CYS   5          2HB       CYS   5  -6.424   2.717  -0.452
   41    HG   CYS   5           HG       CYS   5  -4.727   1.076  -1.079
   42    HA   PRO   6           HA       PRO   6  -7.957   3.631  -5.173
   43   1HB   PRO   6          1HB       PRO   6  -6.443   2.283  -6.944
   44   2HB   PRO   6          2HB       PRO   6  -6.293   4.031  -6.720
   45   1HG   PRO   6          1HG       PRO   6  -4.583   1.827  -5.636
   46   2HG   PRO   6          2HG       PRO   6  -4.095   3.385  -6.327
   47   1HD   PRO   6          1HD       PRO   6  -4.233   2.895  -3.640
   48   2HD   PRO   6          2HD       PRO   6  -4.443   4.506  -4.358
   49    H    GLU   7           H        GLU   7  -6.190   1.254  -3.377
   50    HA   GLU   7           HA       GLU   7  -7.869  -0.925  -4.386
   51   1HB   GLU   7          1HB       GLU   7  -5.213  -0.916  -3.942
   52   2HB   GLU   7          2HB       GLU   7  -5.767  -1.460  -2.365
   53   1HG   GLU   7          1HG       GLU   7  -7.225  -3.020  -4.089
   54   2HG   GLU   7          2HG       GLU   7  -5.671  -2.871  -4.908
   55    H    CYS   8           H        CYS   8  -6.910   0.650  -1.332
   56    HA   CYS   8           HA       CYS   8  -9.278  -0.579  -0.071
   57   1HB   CYS   8          1HB       CYS   8  -8.119  -0.587   2.035
   58   2HB   CYS   8          2HB       CYS   8  -7.100  -1.368   0.837
   59    HG   CYS   8           HG       CYS   8  -6.469   1.584   1.407
   60    HA   PRO   9           HA       PRO   9 -10.595   3.491   1.018
   61   1HB   PRO   9          1HB       PRO   9 -12.129   3.023   3.147
   62   2HB   PRO   9          2HB       PRO   9 -12.496   2.298   1.578
   63   1HG   PRO   9          1HG       PRO   9 -11.289   1.062   4.002
   64   2HG   PRO   9          2HG       PRO   9 -12.368   0.347   2.792
   65   1HD   PRO   9          1HD       PRO   9  -9.554   0.103   2.906
   66   2HD   PRO   9          2HD       PRO   9 -10.607  -0.392   1.570
   67    H    LYS  10           H        LYS  10  -7.886   3.245   1.997
   68    HA   LYS  10           HA       LYS  10  -7.994   4.290   4.716
   69   1HB   LYS  10          1HB       LYS  10  -5.529   3.828   3.028
   70   2HB   LYS  10          2HB       LYS  10  -5.596   4.118   4.741
   71   1HG   LYS  10          1HG       LYS  10  -7.069   1.768   3.718
   72   2HG   LYS  10          2HG       LYS  10  -5.305   1.695   3.749
   73   1HD   LYS  10          1HD       LYS  10  -5.427   2.407   6.160
   74   2HD   LYS  10          2HD       LYS  10  -7.173   2.174   6.065
   75   1HE   LYS  10          1HE       LYS  10  -6.872  -0.160   5.526
   76   2HE   LYS  10          2HE       LYS  10  -5.122   0.047   5.460
   77   1HZ   LYS  10          1HZ       LYS  10  -5.136   0.588   7.817
   78   2HZ   LYS  10          2HZ       LYS  10  -5.813  -0.938   7.551
   79   3HZ   LYS  10          3HZ       LYS  10  -6.815   0.385   7.878
   80    H    ARG  11           H        ARG  11  -7.080   6.297   5.299
   81    HA   ARG  11           HA       ARG  11  -6.622   8.234   3.148
   82   1HB   ARG  11          1HB       ARG  11  -8.084   9.887   4.299
   83   2HB   ARG  11          2HB       ARG  11  -8.963   8.517   3.635
   84   1HG   ARG  11          1HG       ARG  11  -8.688   7.550   6.050
   85   2HG   ARG  11          2HG       ARG  11  -8.448   9.245   6.478
   86   1HD   ARG  11          1HD       ARG  11 -10.589   9.799   5.405
   87   2HD   ARG  11          2HD       ARG  11 -10.829   8.094   5.026
   88    HE   ARG  11           HE       ARG  11 -10.475   8.103   7.716
   89   1HH1  ARG  11          1HH1      ARG  11 -12.631   9.846   5.573
   90   2HH1  ARG  11          2HH1      ARG  11 -13.891   9.978   6.752
   91   1HH2  ARG  11          1HH2      ARG  11 -12.140   8.280   9.261
   92   2HH2  ARG  11          2HH2      ARG  11 -13.614   9.091   8.845
   93    H    PHE  12           H        PHE  12  -4.959   9.567   3.555
   94    HA   PHE  12           HA       PHE  12  -4.059   9.879   6.339
   95   1HB   PHE  12          1HB       PHE  12  -2.218   9.433   4.016
   96   2HB   PHE  12          2HB       PHE  12  -1.759   9.543   5.698
   97    HD1  PHE  12           HD1      PHE  12  -4.198   7.567   3.691
   98    HD2  PHE  12           HD2      PHE  12  -1.131   7.523   6.632
   99    HE1  PHE  12           HE1      PHE  12  -4.418   5.145   3.863
  100    HE2  PHE  12           HE2      PHE  12  -1.352   5.073   6.813
  101    HZ   PHE  12           HZ       PHE  12  -3.006   3.883   5.411
  102    H    MET  13           H        MET  13  -3.074  11.817   6.865
  103    HA   MET  13           HA       MET  13  -3.870  14.084   5.354
  104   1HB   MET  13          1HB       MET  13  -2.064  13.756   7.746
  105   2HB   MET  13          2HB       MET  13  -2.392  15.325   7.024
  106   1HG   MET  13          1HG       MET  13  -4.776  15.028   7.453
  107   2HG   MET  13          2HG       MET  13  -4.448  13.456   8.179
  108   1HE   MET  13          1HE       MET  13  -4.672  13.262  10.572
  109   2HE   MET  13          2HE       MET  13  -5.914  14.491  10.328
  110   3HE   MET  13          3HE       MET  13  -4.781  14.636  11.672
  111    H    ARG  14           H        ARG  14  -0.890  12.239   5.544
  112    HA   ARG  14           HA       ARG  14   0.478  14.190   3.835
  113   1HB   ARG  14          1HB       ARG  14   1.410  11.931   5.569
  114   2HB   ARG  14          2HB       ARG  14   2.431  12.498   4.260
  115   1HG   ARG  14          1HG       ARG  14   3.003  14.372   5.344
  116   2HG   ARG  14          2HG       ARG  14   1.374  14.625   5.974
  117   1HD   ARG  14          1HD       ARG  14   3.186  12.479   7.038
  118   2HD   ARG  14          2HD       ARG  14   3.225  14.129   7.662
  119    HE   ARG  14           HE       ARG  14   1.122  12.160   8.034
  120   1HH1  ARG  14          1HH1      ARG  14   2.101  15.506   8.372
  121   2HH1  ARG  14          2HH1      ARG  14   0.882  15.870   9.545
  122   1HH2  ARG  14          1HH2      ARG  14  -0.483  12.648   9.576
  123   2HH2  ARG  14          2HH2      ARG  14  -0.584  14.250  10.229
  124    H    SER  15           H        SER  15   1.790  13.335   2.043
  125    HA   SER  15           HA       SER  15   0.216  11.471   0.468
  126   1HB   SER  15          1HB       SER  15   0.718  13.163  -0.918
  127   2HB   SER  15          2HB       SER  15   2.230  13.559  -0.109
  128    HG   SER  15           HG       SER  15   3.260  12.265  -1.429
  129    H    ASP  16           H        ASP  16   3.549  11.821   1.642
  130    HA   ASP  16           HA       ASP  16   4.474   9.363   0.561
  131   1HB   ASP  16          1HB       ASP  16   6.498   9.789   1.686
  132   2HB   ASP  16          2HB       ASP  16   5.867  11.386   1.311
  133    H    HIS  17           H        HIS  17   2.880  10.244   3.547
  134    HA   HIS  17           HA       HIS  17   3.510   7.905   5.014
  135   1HB   HIS  17          1HB       HIS  17   1.453  10.060   5.263
  136   2HB   HIS  17          2HB       HIS  17   1.282   8.596   6.217
  137    HD1  HIS  17           HD1      HIS  17   1.708   9.842   8.415
  138    HD2  HIS  17           HD2      HIS  17   4.828  10.131   5.689
  139    HE1  HIS  17           HE1      HIS  17   3.628  10.815   9.693
  140    HE2  HIS  17           HE2      HIS  17   5.471  11.093   8.002
  141    H    LEU  18           H        LEU  18   0.522   8.825   3.254
  142    HA   LEU  18           HA       LEU  18  -0.781   6.363   3.562
  143   1HB   LEU  18          1HB       LEU  18  -1.819   8.481   2.759
  144   2HB   LEU  18          2HB       LEU  18  -1.017   8.260   1.229
  145    HG   LEU  18           HG       LEU  18  -2.833   6.126   2.281
  146   1HD1  LEU  18          1HD1      LEU  18  -4.694   7.288   1.992
  147   2HD1  LEU  18          2HD1      LEU  18  -4.150   7.881   0.425
  148   3HD1  LEU  18          3HD1      LEU  18  -3.694   8.737   1.899
  149   1HD2  LEU  18          1HD2      LEU  18  -3.212   6.192  -0.349
  150   2HD2  LEU  18          2HD2      LEU  18  -1.902   5.286   0.410
  151   3HD2  LEU  18          3HD2      LEU  18  -1.589   6.879  -0.285
  152    H    THR  19           H        THR  19   1.423   7.561   1.062
  153    HA   THR  19           HA       THR  19   1.238   5.361  -0.644
  154    HB   THR  19           HB       THR  19   3.513   7.303  -0.200
  155    HG1  THR  19           HG1      THR  19   2.015   8.487  -1.121
  156   1HG2  THR  19          1HG2      THR  19   3.146   5.256  -2.365
  157   2HG2  THR  19          2HG2      THR  19   4.535   5.491  -1.305
  158   3HG2  THR  19          3HG2      THR  19   4.163   6.685  -2.550
  159    H    LEU  20           H        LEU  20   3.131   5.922   2.266
  160    HA   LEU  20           HA       LEU  20   4.910   3.732   1.998
  161   1HB   LEU  20          1HB       LEU  20   5.135   5.668   3.596
  162   2HB   LEU  20          2HB       LEU  20   3.874   4.937   4.567
  163    HG   LEU  20           HG       LEU  20   5.382   2.888   4.729
  164   1HD1  LEU  20          1HD1      LEU  20   6.890   3.356   2.913
  165   2HD1  LEU  20          2HD1      LEU  20   7.793   3.346   4.427
  166   3HD1  LEU  20          3HD1      LEU  20   7.375   4.878   3.660
  167   1HD2  LEU  20          1HD2      LEU  20   6.661   3.833   6.558
  168   2HD2  LEU  20          2HD2      LEU  20   5.023   4.486   6.561
  169   3HD2  LEU  20          3HD2      LEU  20   6.360   5.463   5.956
  170    H    HIS  21           H        HIS  21   1.678   4.088   3.333
  171    HA   HIS  21           HA       HIS  21   1.423   1.587   4.567
  172   1HB   HIS  21          1HB       HIS  21  -0.586   2.424   5.109
  173   2HB   HIS  21          2HB       HIS  21  -0.135   3.874   4.257
  174    HD1  HIS  21           HD1      HIS  21  -2.140   4.583   2.959
  175    HD2  HIS  21           HD2      HIS  21  -1.543   0.499   2.747
  176    HE1  HIS  21           HE1      HIS  21  -3.952   3.663   1.464
  177    H    ILE  22           H        ILE  22   0.461   2.701   1.359
  178    HA   ILE  22           HA       ILE  22  -0.813   0.440   0.460
  179    HB   ILE  22           HB       ILE  22   0.832   2.137  -1.405
  180   1HG1  ILE  22          1HG1      ILE  22  -2.000   2.824  -0.822
  181   2HG1  ILE  22          2HG1      ILE  22  -0.823   3.294   0.384
  182   1HG2  ILE  22          1HG2      ILE  22  -0.523  -0.001  -2.066
  183   2HG2  ILE  22          2HG2      ILE  22  -0.634   1.454  -3.056
  184   3HG2  ILE  22          3HG2      ILE  22  -1.914   1.075  -1.900
  185   1HD1  ILE  22          1HD1      ILE  22  -1.379   4.402  -2.235
  186   2HD1  ILE  22          2HD1      ILE  22   0.338   4.129  -1.938
  187   3HD1  ILE  22          3HD1      ILE  22  -0.602   5.130  -0.831
  188    H    LEU  23           H        LEU  23   2.543   0.706   1.095
  189    HA   LEU  23           HA       LEU  23   3.644  -1.080  -0.740
  190   1HB   LEU  23          1HB       LEU  23   4.316  -0.230   2.030
  191   2HB   LEU  23          2HB       LEU  23   5.083  -1.690   1.437
  192    HG   LEU  23           HG       LEU  23   5.197   0.773  -0.248
  193   1HD1  LEU  23          1HD1      LEU  23   6.828   0.261   2.228
  194   2HD1  LEU  23          2HD1      LEU  23   5.859   1.683   1.839
  195   3HD1  LEU  23          3HD1      LEU  23   7.337   1.350   0.937
  196   1HD2  LEU  23          1HD2      LEU  23   7.314  -0.191  -0.936
  197   2HD2  LEU  23          2HD2      LEU  23   6.024  -1.382  -1.094
  198   3HD2  LEU  23          3HD2      LEU  23   7.146  -1.472   0.264
  199    H    LEU  24           H        LEU  24   1.642  -1.629   2.093
  200    HA   LEU  24           HA       LEU  24   2.041  -4.326   2.594
  201   1HB   LEU  24          1HB       LEU  24  -0.674  -3.008   2.594
  202   2HB   LEU  24          2HB       LEU  24  -0.162  -4.384   3.548
  203    HG   LEU  24           HG       LEU  24   1.361  -1.898   4.012
  204   1HD1  LEU  24          1HD1      LEU  24  -1.426  -2.111   5.121
  205   2HD1  LEU  24          2HD1      LEU  24  -1.056  -1.174   3.672
  206   3HD1  LEU  24          3HD1      LEU  24  -0.309  -0.750   5.212
  207   1HD2  LEU  24          1HD2      LEU  24   0.038  -3.885   5.855
  208   2HD2  LEU  24          2HD2      LEU  24   1.190  -2.631   6.317
  209   3HD2  LEU  24          3HD2      LEU  24   1.706  -3.970   5.291
  210    H    HIS  25           H        HIS  25  -0.216  -2.830   0.287
  211    HA   HIS  25           HA       HIS  25  -1.329  -5.182  -0.747
  212   1HB   HIS  25          1HB       HIS  25  -0.900  -2.567  -2.211
  213   2HB   HIS  25          2HB       HIS  25  -2.058  -3.822  -2.636
  214    HD1  HIS  25           HD1      HIS  25  -3.885  -4.280  -0.542
  215    HD2  HIS  25           HD2      HIS  25  -1.968  -0.600  -0.749
  216    HE1  HIS  25           HE1      HIS  25  -5.268  -2.676   0.843
  217    H    GLU  26           H        GLU  26   1.500  -3.311  -1.801
  218    HA   GLU  26           HA       GLU  26   2.125  -4.757  -4.108
  219   1HB   GLU  26          1HB       GLU  26   3.644  -3.008  -2.238
  220   2HB   GLU  26          2HB       GLU  26   4.576  -4.016  -3.336
  221   1HG   GLU  26          1HG       GLU  26   2.366  -2.250  -4.323
  222   2HG   GLU  26          2HG       GLU  26   4.000  -1.639  -4.069
  223    H    ASN  27           H        ASN  27   3.331  -5.194  -0.781
  224    HA   ASN  27           HA       ASN  27   4.266  -7.881  -1.546
  225   1HB   ASN  27          1HB       ASN  27   5.579  -7.668   0.680
  226   2HB   ASN  27          2HB       ASN  27   6.153  -6.771  -0.719
  227   1HD2  ASN  27          1HD2      ASN  27   6.397  -4.632  -0.551
  228   2HD2  ASN  27          2HD2      ASN  27   5.882  -3.678   0.793
  229    H    LYS  28           H        LYS  28   1.863  -8.322  -1.350
  230    HA   LYS  28           HA       LYS  28   0.728  -8.431   1.282
  231   1HB   LYS  28          1HB       LYS  28  -0.591  -8.153  -0.841
  232   2HB   LYS  28          2HB       LYS  28  -0.240  -9.835  -1.213
  233   1HG   LYS  28          1HG       LYS  28  -1.376  -9.420   1.451
  234   2HG   LYS  28          2HG       LYS  28  -2.437  -8.938   0.126
  235   1HD   LYS  28          1HD       LYS  28  -1.032 -11.582   0.056
  236   2HD   LYS  28          2HD       LYS  28  -2.513 -11.385   0.994
  237   1HE   LYS  28          1HE       LYS  28  -3.756 -10.784  -0.941
  238   2HE   LYS  28          2HE       LYS  28  -2.293 -10.632  -1.913
  239   1HZ   LYS  28          1HZ       LYS  28  -1.944 -13.015  -1.691
  240   2HZ   LYS  28          2HZ       LYS  28  -3.452 -12.694  -2.385
  241   3HZ   LYS  28          3HZ       LYS  28  -3.352 -13.159  -0.763
  242    H    LYS  29           H        LYS  29   1.355  -9.846   2.764
  243    HA   LYS  29           HA       LYS  29   1.526 -12.664   2.097
  244   1HB   LYS  29          1HB       LYS  29   3.870 -11.226   2.077
  245   2HB   LYS  29          2HB       LYS  29   3.830 -11.846   3.721
  246   1HG   LYS  29          1HG       LYS  29   3.419 -13.622   1.336
  247   2HG   LYS  29          2HG       LYS  29   5.021 -13.250   1.975
  248   1HD   LYS  29          1HD       LYS  29   4.345 -14.139   4.162
  249   2HD   LYS  29          2HD       LYS  29   2.755 -14.528   3.505
  250   1HE   LYS  29          1HE       LYS  29   3.540 -16.493   2.835
  251   2HE   LYS  29          2HE       LYS  29   4.656 -15.658   1.758
  252   1HZ   LYS  29          1HZ       LYS  29   5.824 -17.156   3.242
  253   2HZ   LYS  29          2HZ       LYS  29   5.190 -16.362   4.594
  254   3HZ   LYS  29          3HZ       LYS  29   6.262 -15.555   3.565
  Start of MODEL    3
    1    H    TYR   1           H        TYR   1 -10.269  13.940   5.958
    2    HA   TYR   1           HA       TYR   1  -8.481  13.028   4.828
    3   1HB   TYR   1          1HB       TYR   1 -10.990  12.401   3.251
    4   2HB   TYR   1          2HB       TYR   1  -9.598  11.348   3.470
    5    HD1  TYR   1           HD1      TYR   1 -12.849  11.843   4.478
    6    HD2  TYR   1           HD2      TYR   1  -9.010  11.046   6.129
    7    HE1  TYR   1           HE1      TYR   1 -13.913  10.872   6.471
    8    HE2  TYR   1           HE2      TYR   1 -10.063  10.072   8.125
    9    HH   TYR   1           HH       TYR   1 -12.832   8.940   8.380
   10    H    LYS   2           H        LYS   2  -6.921  13.518   3.432
   11    HA   LYS   2           HA       LYS   2  -7.547  15.205   1.130
   12   1HB   LYS   2          1HB       LYS   2  -5.201  14.782   2.839
   13   2HB   LYS   2          2HB       LYS   2  -4.816  14.903   1.127
   14   1HG   LYS   2          1HG       LYS   2  -6.605  16.976   1.577
   15   2HG   LYS   2          2HG       LYS   2  -5.566  16.966   3.004
   16   1HD   LYS   2          1HD       LYS   2  -3.715  17.557   1.827
   17   2HD   LYS   2          2HD       LYS   2  -4.226  16.688   0.378
   18   1HE   LYS   2          1HE       LYS   2  -5.896  18.455  -0.050
   19   2HE   LYS   2          2HE       LYS   2  -5.298  19.333   1.356
   20   1HZ   LYS   2          1HZ       LYS   2  -4.349  20.174  -0.706
   21   2HZ   LYS   2          2HZ       LYS   2  -3.699  18.652  -1.054
   22   3HZ   LYS   2          3HZ       LYS   2  -3.145  19.521   0.288
   23    H    PHE   3           H        PHE   3  -5.410  12.383   1.712
   24    HA   PHE   3           HA       PHE   3  -5.702  11.650  -1.098
   25   1HB   PHE   3          1HB       PHE   3  -3.730  11.033   1.056
   26   2HB   PHE   3          2HB       PHE   3  -3.929   9.891  -0.254
   27    HD1  PHE   3           HD1      PHE   3  -3.427  13.540   0.288
   28    HD2  PHE   3           HD2      PHE   3  -2.612  10.130  -2.127
   29    HE1  PHE   3           HE1      PHE   3  -1.919  14.894  -1.109
   30    HE2  PHE   3           HE2      PHE   3  -1.103  11.477  -3.527
   31    HZ   PHE   3           HZ       PHE   3  -0.755  13.862  -3.018
   32    H    ALA   4           H        ALA   4  -5.863   9.294  -1.596
   33    HA   ALA   4           HA       ALA   4  -7.188   7.624   0.367
   34   1HB   ALA   4          1HB       ALA   4  -9.058   8.930  -0.481
   35   2HB   ALA   4          2HB       ALA   4  -9.187   7.251  -1.007
   36   3HB   ALA   4          3HB       ALA   4  -8.636   8.489  -2.136
   37    H    CYS   5           H        CYS   5  -6.819   5.490  -0.002
   38    HA   CYS   5           HA       CYS   5  -4.968   4.752  -2.039
   39   1HB   CYS   5          1HB       CYS   5  -5.327   3.711   0.322
   40   2HB   CYS   5          2HB       CYS   5  -6.563   2.750  -0.471
   41    HG   CYS   5           HG       CYS   5  -4.829   1.394  -1.598
   42    HA   PRO   6           HA       PRO   6  -7.861   3.768  -5.265
   43   1HB   PRO   6          1HB       PRO   6  -6.221   2.332  -6.867
   44   2HB   PRO   6          2HB       PRO   6  -6.095   4.088  -6.708
   45   1HG   PRO   6          1HG       PRO   6  -4.468   1.946  -5.394
   46   2HG   PRO   6          2HG       PRO   6  -3.931   3.471  -6.122
   47   1HD   PRO   6          1HD       PRO   6  -4.241   3.140  -3.444
   48   2HD   PRO   6          2HD       PRO   6  -4.478   4.700  -4.258
   49    H    GLU   7           H        GLU   7  -6.168   1.342  -3.408
   50    HA   GLU   7           HA       GLU   7  -7.893  -0.787  -4.439
   51   1HB   GLU   7          1HB       GLU   7  -5.281  -0.907  -4.041
   52   2HB   GLU   7          2HB       GLU   7  -5.772  -1.277  -2.394
   53   1HG   GLU   7          1HG       GLU   7  -6.819  -2.785  -4.770
   54   2HG   GLU   7          2HG       GLU   7  -5.339  -3.238  -3.929
   55    H    CYS   8           H        CYS   8  -6.880   0.635  -1.318
   56    HA   CYS   8           HA       CYS   8  -9.290  -0.546  -0.097
   57   1HB   CYS   8          1HB       CYS   8  -8.159  -0.547   2.004
   58   2HB   CYS   8          2HB       CYS   8  -7.062  -1.240   0.822
   59    HG   CYS   8           HG       CYS   8  -5.473   0.611   1.179
   60    HA   PRO   9           HA       PRO   9 -10.702   3.506   0.958
   61   1HB   PRO   9          1HB       PRO   9 -12.208   3.028   3.103
   62   2HB   PRO   9          2HB       PRO   9 -12.567   2.265   1.549
   63   1HG   PRO   9          1HG       PRO   9 -11.304   1.106   3.982
   64   2HG   PRO   9          2HG       PRO   9 -12.375   0.340   2.798
   65   1HD   PRO   9          1HD       PRO   9  -9.551   0.177   2.884
   66   2HD   PRO   9          2HD       PRO   9 -10.603  -0.372   1.569
   67    H    LYS  10           H        LYS  10  -7.961   3.156   2.024
   68    HA   LYS  10           HA       LYS  10  -8.095   4.310   4.689
   69   1HB   LYS  10          1HB       LYS  10  -5.646   3.738   3.017
   70   2HB   LYS  10          2HB       LYS  10  -5.672   4.160   4.702
   71   1HG   LYS  10          1HG       LYS  10  -7.267   1.800   4.031
   72   2HG   LYS  10          2HG       LYS  10  -5.531   1.634   3.763
   73   1HD   LYS  10          1HD       LYS  10  -6.487   2.817   6.327
   74   2HD   LYS  10          2HD       LYS  10  -6.603   1.072   6.099
   75   1HE   LYS  10          1HE       LYS  10  -4.021   2.108   5.279
   76   2HE   LYS  10          2HE       LYS  10  -4.378   2.488   6.963
   77   1HZ   LYS  10          1HZ       LYS  10  -4.513  -0.228   5.764
   78   2HZ   LYS  10          2HZ       LYS  10  -4.771   0.159   7.390
   79   3HZ   LYS  10          3HZ       LYS  10  -3.236   0.356   6.708
   80    H    ARG  11           H        ARG  11  -7.216   6.312   5.241
   81    HA   ARG  11           HA       ARG  11  -6.708   8.210   3.067
   82   1HB   ARG  11          1HB       ARG  11  -8.520   8.773   5.413
   83   2HB   ARG  11          2HB       ARG  11  -8.112   9.886   4.125
   84   1HG   ARG  11          1HG       ARG  11  -9.695   9.084   2.784
   85   2HG   ARG  11          2HG       ARG  11  -9.245   7.411   3.118
   86   1HD   ARG  11          1HD       ARG  11 -10.406   8.203   5.474
   87   2HD   ARG  11          2HD       ARG  11 -11.369   9.055   4.269
   88    HE   ARG  11           HE       ARG  11 -11.218   6.496   3.331
   89   1HH1  ARG  11          1HH1      ARG  11 -12.289   7.951   6.330
   90   2HH1  ARG  11          2HH1      ARG  11 -13.465   6.723   6.649
   91   1HH2  ARG  11          1HH2      ARG  11 -12.770   4.879   3.757
   92   2HH2  ARG  11          2HH2      ARG  11 -13.738   4.977   5.190
   93    H    PHE  12           H        PHE  12  -5.124   9.673   3.494
   94    HA   PHE  12           HA       PHE  12  -4.105   9.870   6.239
   95   1HB   PHE  12          1HB       PHE  12  -2.320   9.424   3.872
   96   2HB   PHE  12          2HB       PHE  12  -1.822   9.530   5.546
   97    HD1  PHE  12           HD1      PHE  12  -4.280   7.545   3.548
   98    HD2  PHE  12           HD2      PHE  12  -1.204   7.524   6.488
   99    HE1  PHE  12           HE1      PHE  12  -4.472   5.115   3.718
  100    HE2  PHE  12           HE2      PHE  12  -1.397   5.075   6.664
  101    HZ   PHE  12           HZ       PHE  12  -3.034   3.868   5.261
  102    H    MET  13           H        MET  13  -2.943  11.753   6.726
  103    HA   MET  13           HA       MET  13  -3.708  14.048   5.170
  104   1HB   MET  13          1HB       MET  13  -2.175  13.672   7.732
  105   2HB   MET  13          2HB       MET  13  -2.286  15.247   6.959
  106   1HG   MET  13          1HG       MET  13  -4.535  15.453   7.383
  107   2HG   MET  13          2HG       MET  13  -4.780  13.711   7.501
  108   1HE   MET  13          1HE       MET  13  -5.590  13.846  11.127
  109   2HE   MET  13          2HE       MET  13  -5.519  12.815   9.698
  110   3HE   MET  13          3HE       MET  13  -6.355  14.367   9.625
  111    H    ARG  14           H        ARG  14  -0.846  12.084   5.554
  112    HA   ARG  14           HA       ARG  14   0.762  13.991   4.010
  113   1HB   ARG  14          1HB       ARG  14   1.509  11.508   5.562
  114   2HB   ARG  14          2HB       ARG  14   2.645  12.403   4.565
  115   1HG   ARG  14          1HG       ARG  14   2.320  14.385   5.945
  116   2HG   ARG  14          2HG       ARG  14   1.156  13.507   6.939
  117   1HD   ARG  14          1HD       ARG  14   3.238  13.487   8.096
  118   2HD   ARG  14          2HD       ARG  14   2.969  11.863   7.459
  119    HE   ARG  14           HE       ARG  14   4.730  12.164   5.976
  120   1HH1  ARG  14          1HH1      ARG  14   4.121  15.132   7.735
  121   2HH1  ARG  14          2HH1      ARG  14   5.630  15.848   7.284
  122   1HH2  ARG  14          1HH2      ARG  14   6.716  13.114   5.392
  123   2HH2  ARG  14          2HH2      ARG  14   7.102  14.706   5.955
  124    H    SER  15           H        SER  15   2.041  13.205   2.210
  125    HA   SER  15           HA       SER  15   0.535  11.300   0.594
  126   1HB   SER  15          1HB       SER  15   1.020  12.635  -1.090
  127   2HB   SER  15          2HB       SER  15   1.842  13.719   0.027
  128    HG   SER  15           HG       SER  15   3.736  12.970  -0.616
  129    H    ASP  16           H        ASP  16   3.846  11.836   1.763
  130    HA   ASP  16           HA       ASP  16   4.925   9.496   0.561
  131   1HB   ASP  16          1HB       ASP  16   6.912   9.927   1.883
  132   2HB   ASP  16          2HB       ASP  16   6.310  11.443   1.233
  133    H    HIS  17           H        HIS  17   3.659  10.202   3.796
  134    HA   HIS  17           HA       HIS  17   4.309   7.677   4.917
  135   1HB   HIS  17          1HB       HIS  17   2.437   9.893   5.689
  136   2HB   HIS  17          2HB       HIS  17   2.416   8.366   6.557
  137    HD1  HIS  17           HD1      HIS  17   3.211   9.776   8.652
  138    HD2  HIS  17           HD2      HIS  17   5.923   9.559   5.513
  139    HE1  HIS  17           HE1      HIS  17   5.398  10.545   9.603
  140    HE2  HIS  17           HE2      HIS  17   7.006  10.500   7.665
  141    H    LEU  18           H        LEU  18   1.432   8.966   3.305
  142    HA   LEU  18           HA       LEU  18  -0.285   6.793   3.735
  143   1HB   LEU  18          1HB       LEU  18  -0.893   9.040   2.814
  144   2HB   LEU  18          2HB       LEU  18  -0.185   8.558   1.294
  145    HG   LEU  18           HG       LEU  18  -2.341   6.888   2.505
  146   1HD1  LEU  18          1HD1      LEU  18  -3.546   8.819   2.582
  147   2HD1  LEU  18          2HD1      LEU  18  -3.814   8.366   0.901
  148   3HD1  LEU  18          3HD1      LEU  18  -2.604   9.584   1.308
  149   1HD2  LEU  18          1HD2      LEU  18  -0.951   7.115  -0.037
  150   2HD2  LEU  18          2HD2      LEU  18  -2.706   7.068  -0.203
  151   3HD2  LEU  18          3HD2      LEU  18  -1.863   5.767   0.646
  152    H    THR  19           H        THR  19   1.988   7.498   1.092
  153    HA   THR  19           HA       THR  19   1.414   5.217  -0.426
  154    HB   THR  19           HB       THR  19   4.007   6.775  -0.269
  155    HG1  THR  19           HG1      THR  19   2.725   8.239  -1.077
  156   1HG2  THR  19          1HG2      THR  19   4.499   4.774  -1.429
  157   2HG2  THR  19          2HG2      THR  19   4.272   6.032  -2.646
  158   3HG2  THR  19          3HG2      THR  19   2.993   4.856  -2.344
  159    H    LEU  20           H        LEU  20   3.511   5.748   2.344
  160    HA   LEU  20           HA       LEU  20   5.062   3.414   2.215
  161   1HB   LEU  20          1HB       LEU  20   5.300   5.409   3.794
  162   2HB   LEU  20          2HB       LEU  20   4.051   4.659   4.768
  163    HG   LEU  20           HG       LEU  20   6.290   2.874   4.117
  164   1HD1  LEU  20          1HD1      LEU  20   6.746   5.247   5.918
  165   2HD1  LEU  20          2HD1      LEU  20   7.511   4.981   4.351
  166   3HD1  LEU  20          3HD1      LEU  20   7.841   3.884   5.690
  167   1HD2  LEU  20          1HD2      LEU  20   4.440   2.362   5.690
  168   2HD2  LEU  20          2HD2      LEU  20   5.027   3.650   6.741
  169   3HD2  LEU  20          3HD2      LEU  20   6.040   2.243   6.421
  170    H    HIS  21           H        HIS  21   1.795   4.008   3.343
  171    HA   HIS  21           HA       HIS  21   1.334   1.535   4.621
  172   1HB   HIS  21          1HB       HIS  21  -0.591   2.565   5.128
  173   2HB   HIS  21          2HB       HIS  21  -0.080   3.934   4.185
  174    HD1  HIS  21           HD1      HIS  21  -2.057   4.650   2.841
  175    HD2  HIS  21           HD2      HIS  21  -1.642   0.529   2.910
  176    HE1  HIS  21           HE1      HIS  21  -3.949   3.711   1.456
  177    H    ILE  22           H        ILE  22   0.620   2.709   1.381
  178    HA   ILE  22           HA       ILE  22  -0.683   0.407   0.476
  179    HB   ILE  22           HB       ILE  22   0.822   2.242  -1.371
  180   1HG1  ILE  22          1HG1      ILE  22  -1.989   2.863  -0.685
  181   2HG1  ILE  22          2HG1      ILE  22  -0.815   3.245   0.552
  182   1HG2  ILE  22          1HG2      ILE  22  -0.527   1.446  -3.006
  183   2HG2  ILE  22          2HG2      ILE  22  -1.915   1.295  -1.926
  184   3HG2  ILE  22          3HG2      ILE  22  -0.659   0.058  -1.926
  185   1HD1  ILE  22          1HD1      ILE  22   0.268   4.228  -1.808
  186   2HD1  ILE  22          2HD1      ILE  22  -0.473   5.145  -0.496
  187   3HD1  ILE  22          3HD1      ILE  22  -1.448   4.629  -1.870
  188    H    LEU  23           H        LEU  23   2.537   0.598   1.321
  189    HA   LEU  23           HA       LEU  23   3.755  -0.930  -0.724
  190   1HB   LEU  23          1HB       LEU  23   4.454  -0.031   1.982
  191   2HB   LEU  23          2HB       LEU  23   5.181  -1.558   1.528
  192    HG   LEU  23           HG       LEU  23   6.064  -0.428  -0.540
  193   1HD1  LEU  23          1HD1      LEU  23   4.555   1.444  -0.670
  194   2HD1  LEU  23          2HD1      LEU  23   6.202   2.040  -0.463
  195   3HD1  LEU  23          3HD1      LEU  23   5.089   2.031   0.906
  196   1HD2  LEU  23          1HD2      LEU  23   7.462  -0.845   1.421
  197   2HD2  LEU  23          2HD2      LEU  23   6.952   0.692   2.116
  198   3HD2  LEU  23          3HD2      LEU  23   7.902   0.669   0.631
  199    H    LEU  24           H        LEU  24   1.917  -1.794   2.176
  200    HA   LEU  24           HA       LEU  24   2.590  -4.543   2.194
  201   1HB   LEU  24          1HB       LEU  24   0.140  -4.663   3.274
  202   2HB   LEU  24          2HB       LEU  24   1.581  -4.213   4.156
  203    HG   LEU  24           HG       LEU  24   0.959  -1.800   3.667
  204   1HD1  LEU  24          1HD1      LEU  24  -0.617  -1.941   1.925
  205   2HD1  LEU  24          2HD1      LEU  24  -1.563  -1.535   3.355
  206   3HD1  LEU  24          3HD1      LEU  24  -1.542  -3.193   2.753
  207   1HD2  LEU  24          1HD2      LEU  24  -1.141  -3.116   5.307
  208   2HD2  LEU  24          2HD2      LEU  24  -0.178  -1.677   5.647
  209   3HD2  LEU  24          3HD2      LEU  24   0.554  -3.278   5.769
  210    H    HIS  25           H        HIS  25   0.212  -2.740   0.350
  211    HA   HIS  25           HA       HIS  25  -1.443  -4.823  -0.488
  212   1HB   HIS  25          1HB       HIS  25  -0.653  -2.219  -1.777
  213   2HB   HIS  25          2HB       HIS  25  -1.746  -3.340  -2.581
  214    HD1  HIS  25           HD1      HIS  25  -3.824  -4.094  -0.727
  215    HD2  HIS  25           HD2      HIS  25  -2.019  -0.365  -0.439
  216    HE1  HIS  25           HE1      HIS  25  -5.425  -2.626   0.569
  217    H    GLU  26           H        GLU  26   1.463  -3.516  -2.101
  218    HA   GLU  26           HA       GLU  26   1.463  -5.447  -4.184
  219   1HB   GLU  26          1HB       GLU  26   2.708  -3.110  -3.912
  220   2HB   GLU  26          2HB       GLU  26   4.007  -4.142  -3.334
  221   1HG   GLU  26          1HG       GLU  26   2.631  -4.418  -5.997
  222   2HG   GLU  26          2HG       GLU  26   4.180  -3.622  -5.729
  223    H    ASN  27           H        ASN  27   3.240  -5.193  -1.115
  224    HA   ASN  27           HA       ASN  27   4.561  -7.731  -1.532
  225   1HB   ASN  27          1HB       ASN  27   5.504  -5.670  -0.285
  226   2HB   ASN  27          2HB       ASN  27   4.512  -6.208   1.066
  227   1HD2  ASN  27          1HD2      ASN  27   7.233  -6.965  -0.980
  228   2HD2  ASN  27          2HD2      ASN  27   7.910  -8.184   0.039
  229    H    LYS  28           H        LYS  28   2.486  -8.892  -1.791
  230    HA   LYS  28           HA       LYS  28   1.749 -10.159   0.691
  231   1HB   LYS  28          1HB       LYS  28   0.252  -8.121   0.490
  232   2HB   LYS  28          2HB       LYS  28  -0.455  -8.879  -0.929
  233   1HG   LYS  28          1HG       LYS  28  -1.881  -9.328   0.914
  234   2HG   LYS  28          2HG       LYS  28  -1.053 -10.832   0.506
  235   1HD   LYS  28          1HD       LYS  28   0.579  -9.515   2.382
  236   2HD   LYS  28          2HD       LYS  28  -1.073  -9.381   2.985
  237   1HE   LYS  28          1HE       LYS  28  -0.302 -11.392   3.887
  238   2HE   LYS  28          2HE       LYS  28  -1.256 -11.888   2.491
  239   1HZ   LYS  28          1HZ       LYS  28   0.687 -12.307   1.250
  240   2HZ   LYS  28          2HZ       LYS  28   0.962 -13.005   2.766
  241   3HZ   LYS  28          3HZ       LYS  28   1.685 -11.528   2.373
  242    H    LYS  29           H        LYS  29   2.875 -11.797  -0.618
  243    HA   LYS  29           HA       LYS  29   0.990 -13.508  -1.929
  244   1HB   LYS  29          1HB       LYS  29   2.407 -13.689  -4.045
  245   2HB   LYS  29          2HB       LYS  29   1.385 -12.268  -3.890
  246   1HG   LYS  29          1HG       LYS  29   4.085 -11.897  -2.832
  247   2HG   LYS  29          2HG       LYS  29   4.030 -12.256  -4.558
  248   1HD   LYS  29          1HD       LYS  29   2.205 -10.191  -3.389
  249   2HD   LYS  29          2HD       LYS  29   3.883  -9.788  -3.752
  250   1HE   LYS  29          1HE       LYS  29   3.591 -10.011  -6.018
  251   2HE   LYS  29          2HE       LYS  29   2.257 -11.152  -5.841
  252   1HZ   LYS  29          1HZ       LYS  29   0.846  -9.324  -5.112
  253   2HZ   LYS  29          2HZ       LYS  29   1.478  -9.021  -6.650
  254   3HZ   LYS  29          3HZ       LYS  29   2.126  -8.233  -5.301
  Start of MODEL    4
    1    H    TYR   1           H        TYR   1  -7.806  14.547   6.203
    2    HA   TYR   1           HA       TYR   1  -6.549  12.130   5.081
    3   1HB   TYR   1          1HB       TYR   1  -9.366  12.781   5.987
    4   2HB   TYR   1          2HB       TYR   1  -8.916  11.313   5.128
    5    HD1  TYR   1           HD1      TYR   1  -6.248  10.881   6.586
    6    HD2  TYR   1           HD2      TYR   1 -10.168  11.772   7.980
    7    HE1  TYR   1           HE1      TYR   1  -5.728   9.792   8.727
    8    HE2  TYR   1           HE2      TYR   1  -9.657  10.686  10.126
    9    HH   TYR   1           HH       TYR   1  -7.015  10.214  11.367
   10    H    LYS   2           H        LYS   2  -5.835  13.724   3.388
   11    HA   LYS   2           HA       LYS   2  -7.975  14.638   1.618
   12   1HB   LYS   2          1HB       LYS   2  -5.021  15.187   1.765
   13   2HB   LYS   2          2HB       LYS   2  -5.962  15.625   0.346
   14   1HG   LYS   2          1HG       LYS   2  -7.239  16.539   2.770
   15   2HG   LYS   2          2HG       LYS   2  -5.584  17.140   2.641
   16   1HD   LYS   2          1HD       LYS   2  -6.607  17.457   0.087
   17   2HD   LYS   2          2HD       LYS   2  -7.959  17.882   1.139
   18   1HE   LYS   2          1HE       LYS   2  -6.845  19.904   0.858
   19   2HE   LYS   2          2HE       LYS   2  -6.240  19.320   2.407
   20   1HZ   LYS   2          1HZ       LYS   2  -4.842  19.024  -0.200
   21   2HZ   LYS   2          2HZ       LYS   2  -4.254  18.520   1.305
   22   3HZ   LYS   2          3HZ       LYS   2  -4.463  20.168   0.988
   23    H    PHE   3           H        PHE   3  -5.239  12.397   1.658
   24    HA   PHE   3           HA       PHE   3  -5.731  11.591  -1.086
   25   1HB   PHE   3          1HB       PHE   3  -3.605  11.119   0.939
   26   2HB   PHE   3          2HB       PHE   3  -3.846   9.887  -0.282
   27    HD1  PHE   3           HD1      PHE   3  -2.835  10.102  -2.360
   28    HD2  PHE   3           HD2      PHE   3  -3.304  13.540   0.104
   29    HE1  PHE   3           HE1      PHE   3  -1.484  11.417  -3.942
   30    HE2  PHE   3           HE2      PHE   3  -1.956  14.860  -1.475
   31    HZ   PHE   3           HZ       PHE   3  -1.045  13.798  -3.501
   32    H    ALA   4           H        ALA   4  -5.733   9.189  -1.546
   33    HA   ALA   4           HA       ALA   4  -6.926   7.487   0.465
   34   1HB   ALA   4          1HB       ALA   4  -8.880   8.699  -0.340
   35   2HB   ALA   4          2HB       ALA   4  -8.952   7.005  -0.820
   36   3HB   ALA   4          3HB       ALA   4  -8.498   8.235  -1.998
   37    H    CYS   5           H        CYS   5  -6.841   5.286  -0.059
   38    HA   CYS   5           HA       CYS   5  -4.878   4.608  -2.060
   39   1HB   CYS   5          1HB       CYS   5  -5.138   3.559   0.281
   40   2HB   CYS   5          2HB       CYS   5  -6.446   2.625  -0.428
   41    HG   CYS   5           HG       CYS   5  -4.793   1.101  -1.375
   42    HA   PRO   6           HA       PRO   6  -7.783   3.553  -5.251
   43   1HB   PRO   6          1HB       PRO   6  -6.148   2.131  -6.865
   44   2HB   PRO   6          2HB       PRO   6  -6.023   3.886  -6.703
   45   1HG   PRO   6          1HG       PRO   6  -4.382   1.743  -5.412
   46   2HG   PRO   6          2HG       PRO   6  -3.855   3.275  -6.133
   47   1HD   PRO   6          1HD       PRO   6  -4.158   2.910  -3.450
   48   2HD   PRO   6          2HD       PRO   6  -4.370   4.482  -4.249
   49    H    GLU   7           H        GLU   7  -6.128   1.190  -3.315
   50    HA   GLU   7           HA       GLU   7  -7.784  -0.987  -4.354
   51   1HB   GLU   7          1HB       GLU   7  -5.203  -0.815  -2.876
   52   2HB   GLU   7          2HB       GLU   7  -6.202  -2.234  -2.621
   53   1HG   GLU   7          1HG       GLU   7  -4.757  -2.853  -4.330
   54   2HG   GLU   7          2HG       GLU   7  -6.253  -2.438  -5.166
   55    H    CYS   8           H        CYS   8  -6.856   0.551  -1.270
   56    HA   CYS   8           HA       CYS   8  -9.265  -0.628  -0.045
   57   1HB   CYS   8          1HB       CYS   8  -8.140  -0.537   2.086
   58   2HB   CYS   8          2HB       CYS   8  -7.098  -1.353   0.931
   59    HG   CYS   8           HG       CYS   8  -5.434   0.485   1.084
   60    HA   PRO   9           HA       PRO   9 -10.669   3.455   0.889
   61   1HB   PRO   9          1HB       PRO   9 -12.221   3.040   3.016
   62   2HB   PRO   9          2HB       PRO   9 -12.560   2.254   1.471
   63   1HG   PRO   9          1HG       PRO   9 -11.362   1.122   3.949
   64   2HG   PRO   9          2HG       PRO   9 -12.418   0.349   2.757
   65   1HD   PRO   9          1HD       PRO   9  -9.604   0.146   2.904
   66   2HD   PRO   9          2HD       PRO   9 -10.636  -0.407   1.575
   67    H    LYS  10           H        LYS  10  -7.960   3.123   1.990
   68    HA   LYS  10           HA       LYS  10  -8.074   4.262   4.652
   69   1HB   LYS  10          1HB       LYS  10  -5.666   3.754   2.892
   70   2HB   LYS  10          2HB       LYS  10  -5.626   4.221   4.568
   71   1HG   LYS  10          1HG       LYS  10  -7.079   1.743   3.792
   72   2HG   LYS  10          2HG       LYS  10  -5.318   1.732   3.900
   73   1HD   LYS  10          1HD       LYS  10  -5.353   2.289   6.191
   74   2HD   LYS  10          2HD       LYS  10  -7.053   2.758   6.132
   75   1HE   LYS  10          1HE       LYS  10  -7.485   0.308   5.475
   76   2HE   LYS  10          2HE       LYS  10  -5.852   0.009   6.066
   77   1HZ   LYS  10          1HZ       LYS  10  -7.483  -0.392   7.790
   78   2HZ   LYS  10          2HZ       LYS  10  -8.083   1.183   7.639
   79   3HZ   LYS  10          3HZ       LYS  10  -6.511   0.927   8.212
   80    H    ARG  11           H        ARG  11  -7.035   6.267   5.200
   81    HA   ARG  11           HA       ARG  11  -6.695   8.216   3.052
   82   1HB   ARG  11          1HB       ARG  11  -8.130   9.858   4.346
   83   2HB   ARG  11          2HB       ARG  11  -8.992   8.572   3.514
   84   1HG   ARG  11          1HG       ARG  11  -9.013   7.332   5.715
   85   2HG   ARG  11          2HG       ARG  11  -8.440   8.827   6.457
   86   1HD   ARG  11          1HD       ARG  11 -10.681   9.125   6.722
   87   2HD   ARG  11          2HD       ARG  11 -10.492   9.840   5.124
   88    HE   ARG  11           HE       ARG  11 -11.708   7.260   5.759
   89   1HH1  ARG  11          1HH1      ARG  11 -10.787   9.601   3.314
   90   2HH1  ARG  11          2HH1      ARG  11 -11.777   8.886   2.089
   91   1HH2  ARG  11          1HH2      ARG  11 -13.006   6.332   4.138
   92   2HH2  ARG  11          2HH2      ARG  11 -13.037   7.033   2.555
   93    H    PHE  12           H        PHE  12  -5.081   9.635   3.457
   94    HA   PHE  12           HA       PHE  12  -4.143   9.924   6.228
   95   1HB   PHE  12          1HB       PHE  12  -2.280   9.470   3.925
   96   2HB   PHE  12          2HB       PHE  12  -1.856   9.547   5.620
   97    HD1  PHE  12           HD1      PHE  12  -4.232   7.611   3.484
   98    HD2  PHE  12           HD2      PHE  12  -1.298   7.523   6.565
   99    HE1  PHE  12           HE1      PHE  12  -4.453   5.182   3.611
  100    HE2  PHE  12           HE2      PHE  12  -1.521   5.072   6.696
  101    HZ   PHE  12           HZ       PHE  12  -3.101   3.900   5.202
  102    H    MET  13           H        MET  13  -2.903  11.803   6.661
  103    HA   MET  13           HA       MET  13  -3.702  14.078   5.079
  104   1HB   MET  13          1HB       MET  13  -1.991  13.876   7.565
  105   2HB   MET  13          2HB       MET  13  -2.499  15.387   6.824
  106   1HG   MET  13          1HG       MET  13  -4.865  14.665   7.173
  107   2HG   MET  13          2HG       MET  13  -4.245  13.300   8.100
  108   1HE   MET  13          1HE       MET  13  -5.179  16.959   7.981
  109   2HE   MET  13          2HE       MET  13  -5.331  17.266   9.711
  110   3HE   MET  13          3HE       MET  13  -6.258  15.966   8.960
  111    H    ARG  14           H        ARG  14  -0.856  12.104   5.447
  112    HA   ARG  14           HA       ARG  14   0.779  14.010   3.932
  113   1HB   ARG  14          1HB       ARG  14   1.504  11.476   5.411
  114   2HB   ARG  14          2HB       ARG  14   2.648  12.433   4.483
  115   1HG   ARG  14          1HG       ARG  14   3.029  13.214   6.601
  116   2HG   ARG  14          2HG       ARG  14   1.837  14.379   6.022
  117   1HD   ARG  14          1HD       ARG  14   1.403  13.533   8.327
  118   2HD   ARG  14          2HD       ARG  14   0.076  13.263   7.195
  119    HE   ARG  14           HE       ARG  14   1.917  11.050   7.476
  120   1HH1  ARG  14          1HH1      ARG  14  -1.048  12.513   8.627
  121   2HH1  ARG  14          2HH1      ARG  14  -1.680  11.029   9.253
  122   1HH2  ARG  14          1HH2      ARG  14   1.080   9.099   8.302
  123   2HH2  ARG  14          2HH2      ARG  14  -0.472   9.091   9.071
  124    H    SER  15           H        SER  15   2.082  13.205   2.138
  125    HA   SER  15           HA       SER  15   0.544  11.348   0.492
  126   1HB   SER  15          1HB       SER  15   0.928  12.963  -0.973
  127   2HB   SER  15          2HB       SER  15   2.241  13.660  -0.027
  128    HG   SER  15           HG       SER  15   3.652  12.562  -1.173
  129    H    ASP  16           H        ASP  16   3.871  11.836   1.652
  130    HA   ASP  16           HA       ASP  16   4.922   9.482   0.456
  131   1HB   ASP  16          1HB       ASP  16   6.049  11.660   1.610
  132   2HB   ASP  16          2HB       ASP  16   6.237  10.480   2.901
  133    H    HIS  17           H        HIS  17   3.924  10.223   3.806
  134    HA   HIS  17           HA       HIS  17   4.447   7.685   4.887
  135   1HB   HIS  17          1HB       HIS  17   2.669   9.963   5.674
  136   2HB   HIS  17          2HB       HIS  17   2.499   8.421   6.500
  137    HD1  HIS  17           HD1      HIS  17   3.290   9.876   8.616
  138    HD2  HIS  17           HD2      HIS  17   6.151   9.199   5.680
  139    HE1  HIS  17           HE1      HIS  17   5.494  10.404   9.692
  140    HE2  HIS  17           HE2      HIS  17   7.220   9.891   7.932
  141    H    LEU  18           H        LEU  18   1.531   9.003   3.351
  142    HA   LEU  18           HA       LEU  18  -0.188   6.846   3.804
  143   1HB   LEU  18          1HB       LEU  18  -0.830   9.068   2.911
  144   2HB   LEU  18          2HB       LEU  18  -0.091   8.649   1.389
  145    HG   LEU  18           HG       LEU  18  -2.261   6.933   2.518
  146   1HD1  LEU  18          1HD1      LEU  18  -3.421   8.914   2.598
  147   2HD1  LEU  18          2HD1      LEU  18  -3.732   8.392   0.944
  148   3HD1  LEU  18          3HD1      LEU  18  -2.508   9.622   1.268
  149   1HD2  LEU  18          1HD2      LEU  18  -1.743   5.832   0.661
  150   2HD2  LEU  18          2HD2      LEU  18  -0.791   7.177   0.027
  151   3HD2  LEU  18          3HD2      LEU  18  -2.540   7.151  -0.203
  152    H    THR  19           H        THR  19   2.040   7.506   1.112
  153    HA   THR  19           HA       THR  19   1.412   5.245  -0.396
  154    HB   THR  19           HB       THR  19   4.049   6.725  -0.246
  155    HG1  THR  19           HG1      THR  19   2.804   8.222  -1.056
  156   1HG2  THR  19          1HG2      THR  19   4.560   4.783  -1.426
  157   2HG2  THR  19          2HG2      THR  19   4.192   5.973  -2.675
  158   3HG2  THR  19          3HG2      THR  19   2.995   4.755  -2.237
  159    H    LEU  20           H        LEU  20   3.549   5.703   2.355
  160    HA   LEU  20           HA       LEU  20   5.027   3.328   2.220
  161   1HB   LEU  20          1HB       LEU  20   5.387   5.271   3.789
  162   2HB   LEU  20          2HB       LEU  20   4.049   4.667   4.744
  163    HG   LEU  20           HG       LEU  20   5.867   2.513   4.362
  164   1HD1  LEU  20          1HD1      LEU  20   7.561   4.206   3.868
  165   2HD1  LEU  20          2HD1      LEU  20   7.878   3.401   5.404
  166   3HD1  LEU  20          3HD1      LEU  20   7.187   5.023   5.384
  167   1HD2  LEU  20          1HD2      LEU  20   5.961   2.562   6.787
  168   2HD2  LEU  20          2HD2      LEU  20   4.308   2.825   6.235
  169   3HD2  LEU  20          3HD2      LEU  20   5.275   4.186   6.801
  170    H    HIS  21           H        HIS  21   1.795   4.011   3.427
  171    HA   HIS  21           HA       HIS  21   1.271   1.552   4.682
  172   1HB   HIS  21          1HB       HIS  21  -0.661   2.588   5.164
  173   2HB   HIS  21          2HB       HIS  21  -0.081   3.974   4.285
  174    HD1  HIS  21           HD1      HIS  21  -1.927   4.803   2.830
  175    HD2  HIS  21           HD2      HIS  21  -1.781   0.670   2.924
  176    HE1  HIS  21           HE1      HIS  21  -3.810   3.975   1.363
  177    H    ILE  22           H        ILE  22   0.495   2.742   1.453
  178    HA   ILE  22           HA       ILE  22  -0.893   0.548   0.520
  179    HB   ILE  22           HB       ILE  22   0.839   2.253  -1.260
  180   1HG1  ILE  22          1HG1      ILE  22  -1.999   2.954  -0.725
  181   2HG1  ILE  22          2HG1      ILE  22  -0.849   3.351   0.530
  182   1HG2  ILE  22          1HG2      ILE  22  -0.573   1.644  -2.984
  183   2HG2  ILE  22          2HG2      ILE  22  -1.897   1.239  -1.890
  184   3HG2  ILE  22          3HG2      ILE  22  -0.514   0.153  -2.042
  185   1HD1  ILE  22          1HD1      ILE  22  -0.463   5.215  -0.570
  186   2HD1  ILE  22          2HD1      ILE  22  -1.375   4.655  -1.969
  187   3HD1  ILE  22          3HD1      ILE  22   0.333   4.244  -1.806
  188    H    LEU  23           H        LEU  23   2.460   0.668   1.207
  189    HA   LEU  23           HA       LEU  23   3.501  -1.135  -0.656
  190   1HB   LEU  23          1HB       LEU  23   4.259  -0.150   1.994
  191   2HB   LEU  23          2HB       LEU  23   4.802  -1.786   1.689
  192    HG   LEU  23           HG       LEU  23   6.524  -0.152   1.115
  193   1HD1  LEU  23          1HD1      LEU  23   6.222  -2.307  -0.160
  194   2HD1  LEU  23          2HD1      LEU  23   7.132  -1.042  -0.986
  195   3HD1  LEU  23          3HD1      LEU  23   5.452  -1.349  -1.425
  196   1HD2  LEU  23          1HD2      LEU  23   4.987   1.697   0.529
  197   2HD2  LEU  23          2HD2      LEU  23   4.597   0.858  -0.973
  198   3HD2  LEU  23          3HD2      LEU  23   6.241   1.428  -0.682
  199    H    LEU  24           H        LEU  24   1.388  -1.624   2.086
  200    HA   LEU  24           HA       LEU  24   1.725  -4.329   2.630
  201   1HB   LEU  24          1HB       LEU  24  -0.952  -2.939   2.499
  202   2HB   LEU  24          2HB       LEU  24  -0.537  -4.342   3.460
  203    HG   LEU  24           HG       LEU  24   1.030  -1.899   4.025
  204   1HD1  LEU  24          1HD1      LEU  24  -0.666  -0.742   5.181
  205   2HD1  LEU  24          2HD1      LEU  24  -1.803  -2.080   5.018
  206   3HD1  LEU  24          3HD1      LEU  24  -1.359  -1.124   3.604
  207   1HD2  LEU  24          1HD2      LEU  24   0.698  -2.668   6.325
  208   2HD2  LEU  24          2HD2      LEU  24   1.332  -3.954   5.298
  209   3HD2  LEU  24          3HD2      LEU  24  -0.374  -3.942   5.744
  210    H    HIS  25           H        HIS  25  -0.347  -2.787   0.192
  211    HA   HIS  25           HA       HIS  25  -1.311  -5.239  -0.906
  212   1HB   HIS  25          1HB       HIS  25  -1.291  -2.628  -2.403
  213   2HB   HIS  25          2HB       HIS  25  -2.476  -3.927  -2.470
  214    HD1  HIS  25           HD1      HIS  25  -3.928  -4.179  -0.118
  215    HD2  HIS  25           HD2      HIS  25  -1.995  -0.573  -0.831
  216    HE1  HIS  25           HE1      HIS  25  -5.016  -2.475   1.405
  217    H    GLU  26           H        GLU  26   1.346  -3.052  -1.682
  218    HA   GLU  26           HA       GLU  26   2.037  -4.020  -4.205
  219   1HB   GLU  26          1HB       GLU  26   3.891  -2.978  -2.052
  220   2HB   GLU  26          2HB       GLU  26   4.284  -3.121  -3.759
  221   1HG   GLU  26          1HG       GLU  26   2.226  -1.306  -2.524
  222   2HG   GLU  26          2HG       GLU  26   3.767  -0.836  -3.238
  223    H    ASN  27           H        ASN  27   3.487  -4.930  -1.069
  224    HA   ASN  27           HA       ASN  27   3.676  -7.692  -1.883
  225   1HB   ASN  27          1HB       ASN  27   5.996  -5.893  -2.015
  226   2HB   ASN  27          2HB       ASN  27   6.281  -7.354  -1.075
  227   1HD2  ASN  27          1HD2      ASN  27   5.603  -9.413  -2.156
  228   2HD2  ASN  27          2HD2      ASN  27   5.907  -9.548  -3.851
  229    H    LYS  28           H        LYS  28   3.311  -8.930  -0.161
  230    HA   LYS  28           HA       LYS  28   4.379  -8.307   2.435
  231   1HB   LYS  28          1HB       LYS  28   2.292  -6.885   2.228
  232   2HB   LYS  28          2HB       LYS  28   1.373  -8.382   2.173
  233   1HG   LYS  28          1HG       LYS  28   1.309  -8.386   4.382
  234   2HG   LYS  28          2HG       LYS  28   3.064  -8.566   4.413
  235   1HD   LYS  28          1HD       LYS  28   3.337  -6.154   4.385
  236   2HD   LYS  28          2HD       LYS  28   1.591  -5.937   4.259
  237   1HE   LYS  28          1HE       LYS  28   1.986  -5.607   6.520
  238   2HE   LYS  28          2HE       LYS  28   1.497  -7.299   6.453
  239   1HZ   LYS  28          1HZ       LYS  28   3.447  -6.962   7.857
  240   2HZ   LYS  28          2HZ       LYS  28   4.306  -6.332   6.542
  241   3HZ   LYS  28          3HZ       LYS  28   3.812  -7.950   6.532
  242    H    LYS  29           H        LYS  29   5.053 -10.211   3.154
  243    HA   LYS  29           HA       LYS  29   3.630 -12.643   2.337
  244   1HB   LYS  29          1HB       LYS  29   6.429 -11.991   2.996
  245   2HB   LYS  29          2HB       LYS  29   5.864 -13.532   3.627
  246   1HG   LYS  29          1HG       LYS  29   4.979 -13.419   0.968
  247   2HG   LYS  29          2HG       LYS  29   6.645 -12.835   0.960
  248   1HD   LYS  29          1HD       LYS  29   6.897 -15.131   0.705
  249   2HD   LYS  29          2HD       LYS  29   7.130 -14.902   2.438
  250   1HE   LYS  29          1HE       LYS  29   5.676 -16.683   2.418
  251   2HE   LYS  29          2HE       LYS  29   4.553 -15.331   2.545
  252   1HZ   LYS  29          1HZ       LYS  29   4.169 -15.453   0.175
  253   2HZ   LYS  29          2HZ       LYS  29   3.857 -16.958   0.882
  254   3HZ   LYS  29          3HZ       LYS  29   5.290 -16.710   0.019
  Start of MODEL    5
    1    H    TYR   1           H        TYR   1  -9.789  15.460   3.517
    2    HA   TYR   1           HA       TYR   1  -7.815  14.064   3.943
    3   1HB   TYR   1          1HB       TYR   1  -9.933  11.897   3.968
    4   2HB   TYR   1          2HB       TYR   1  -8.192  11.638   3.995
    5    HD1  TYR   1           HD1      TYR   1  -6.887  12.503   6.010
    6    HD2  TYR   1           HD2      TYR   1 -11.132  12.199   5.960
    7    HE1  TYR   1           HE1      TYR   1  -6.916  12.577   8.467
    8    HE2  TYR   1           HE2      TYR   1 -11.172  12.274   8.417
    9    HH   TYR   1           HH       TYR   1  -9.256  13.365  10.260
   10    H    LYS   2           H        LYS   2  -7.100  14.592   1.968
   11    HA   LYS   2           HA       LYS   2  -8.687  13.946  -0.391
   12   1HB   LYS   2          1HB       LYS   2  -6.691  15.930   0.283
   13   2HB   LYS   2          2HB       LYS   2  -6.279  15.111  -1.217
   14   1HG   LYS   2          1HG       LYS   2  -9.003  15.663  -1.423
   15   2HG   LYS   2          2HG       LYS   2  -8.288  17.109  -0.707
   16   1HD   LYS   2          1HD       LYS   2  -7.167  17.639  -2.590
   17   2HD   LYS   2          2HD       LYS   2  -6.769  15.957  -2.945
   18   1HE   LYS   2          1HE       LYS   2  -8.638  15.634  -4.195
   19   2HE   LYS   2          2HE       LYS   2  -9.606  16.749  -3.235
   20   1HZ   LYS   2          1HZ       LYS   2  -8.530  18.599  -4.317
   21   2HZ   LYS   2          2HZ       LYS   2  -9.188  17.570  -5.487
   22   3HZ   LYS   2          3HZ       LYS   2  -7.523  17.558  -5.193
   23    H    PHE   3           H        PHE   3  -6.055  12.611   1.364
   24    HA   PHE   3           HA       PHE   3  -4.949  11.201  -0.908
   25   1HB   PHE   3          1HB       PHE   3  -4.213  10.745   1.974
   26   2HB   PHE   3          2HB       PHE   3  -3.246  10.507   0.547
   27    HD1  PHE   3           HD1      PHE   3  -2.016  12.286  -0.466
   28    HD2  PHE   3           HD2      PHE   3  -4.559  13.018   2.865
   29    HE1  PHE   3           HE1      PHE   3  -0.995  14.505  -0.177
   30    HE2  PHE   3           HE2      PHE   3  -3.541  15.237   3.161
   31    HZ   PHE   3           HZ       PHE   3  -1.756  15.984   1.638
   32    H    ALA   4           H        ALA   4  -5.812   9.355  -1.592
   33    HA   ALA   4           HA       ALA   4  -6.902   7.462   0.366
   34   1HB   ALA   4          1HB       ALA   4  -8.347   8.347  -2.129
   35   2HB   ALA   4          2HB       ALA   4  -8.829   8.671  -0.465
   36   3HB   ALA   4          3HB       ALA   4  -8.845   7.019  -1.082
   37    H    CYS   5           H        CYS   5  -6.768   5.293  -0.219
   38    HA   CYS   5           HA       CYS   5  -4.733   4.688  -2.176
   39   1HB   CYS   5          1HB       CYS   5  -4.941   3.583   0.100
   40   2HB   CYS   5          2HB       CYS   5  -6.332   2.721  -0.535
   41    HG   CYS   5           HG       CYS   5  -3.569   2.341  -1.885
   42    HA   PRO   6           HA       PRO   6  -7.521   3.778  -5.511
   43   1HB   PRO   6          1HB       PRO   6  -5.885   2.182  -6.996
   44   2HB   PRO   6          2HB       PRO   6  -5.734   3.941  -6.935
   45   1HG   PRO   6          1HG       PRO   6  -4.180   1.855  -5.456
   46   2HG   PRO   6          2HG       PRO   6  -3.599   3.331  -6.250
   47   1HD   PRO   6          1HD       PRO   6  -3.958   3.176  -3.579
   48   2HD   PRO   6          2HD       PRO   6  -4.230   4.680  -4.486
   49    H    GLU   7           H        GLU   7  -6.117   1.339  -3.472
   50    HA   GLU   7           HA       GLU   7  -7.945  -0.700  -4.528
   51   1HB   GLU   7          1HB       GLU   7  -5.344  -1.001  -4.106
   52   2HB   GLU   7          2HB       GLU   7  -5.883  -1.328  -2.465
   53   1HG   GLU   7          1HG       GLU   7  -7.143  -2.754  -4.765
   54   2HG   GLU   7          2HG       GLU   7  -5.581  -3.279  -4.139
   55    H    CYS   8           H        CYS   8  -6.822   0.674  -1.422
   56    HA   CYS   8           HA       CYS   8  -9.332  -0.269  -0.200
   57   1HB   CYS   8          1HB       CYS   8  -8.204  -0.293   1.925
   58   2HB   CYS   8          2HB       CYS   8  -7.232  -1.180   0.765
   59    HG   CYS   8           HG       CYS   8  -5.427   0.528   0.922
   60    HA   PRO   9           HA       PRO   9 -10.361   3.921   0.790
   61   1HB   PRO   9          1HB       PRO   9 -12.059   3.577   2.802
   62   2HB   PRO   9          2HB       PRO   9 -12.370   2.839   1.227
   63   1HG   PRO   9          1HG       PRO   9 -11.378   1.585   3.743
   64   2HG   PRO   9          2HG       PRO   9 -12.445   0.915   2.499
   65   1HD   PRO   9          1HD       PRO   9  -9.658   0.489   2.748
   66   2HD   PRO   9          2HD       PRO   9 -10.682   0.035   1.373
   67    H    LYS  10           H        LYS  10  -7.745   3.292   2.032
   68    HA   LYS  10           HA       LYS  10  -7.892   4.246   4.747
   69   1HB   LYS  10          1HB       LYS  10  -5.428   3.897   3.024
   70   2HB   LYS  10          2HB       LYS  10  -5.466   4.121   4.750
   71   1HG   LYS  10          1HG       LYS  10  -6.953   1.819   3.624
   72   2HG   LYS  10          2HG       LYS  10  -5.191   1.740   3.692
   73   1HD   LYS  10          1HD       LYS  10  -5.335   2.324   6.117
   74   2HD   LYS  10          2HD       LYS  10  -7.091   2.183   5.992
   75   1HE   LYS  10          1HE       LYS  10  -6.512  -0.168   4.981
   76   2HE   LYS  10          2HE       LYS  10  -4.994   0.065   5.847
   77   1HZ   LYS  10          1HZ       LYS  10  -6.269   0.402   7.886
   78   2HZ   LYS  10          2HZ       LYS  10  -6.578  -1.117   7.211
   79   3HZ   LYS  10          3HZ       LYS  10  -7.711   0.127   7.045
   80    H    ARG  11           H        ARG  11  -6.862   6.169   5.524
   81    HA   ARG  11           HA       ARG  11  -6.473   8.319   3.578
   82   1HB   ARG  11          1HB       ARG  11  -7.889   9.863   4.838
   83   2HB   ARG  11          2HB       ARG  11  -8.821   8.491   4.265
   84   1HG   ARG  11          1HG       ARG  11  -7.692   8.471   7.031
   85   2HG   ARG  11          2HG       ARG  11  -9.161   9.378   6.678
   86   1HD   ARG  11          1HD       ARG  11 -10.276   7.476   6.991
   87   2HD   ARG  11          2HD       ARG  11  -9.585   6.925   5.465
   88    HE   ARG  11           HE       ARG  11  -7.832   6.463   7.673
   89   1HH1  ARG  11          1HH1      ARG  11 -10.653   5.193   6.030
   90   2HH1  ARG  11          2HH1      ARG  11 -10.364   3.565   6.537
   91   1HH2  ARG  11          1HH2      ARG  11  -7.456   4.314   8.332
   92   2HH2  ARG  11          2HH2      ARG  11  -8.551   3.064   7.843
   93    H    PHE  12           H        PHE  12  -4.810   9.648   4.077
   94    HA   PHE  12           HA       PHE  12  -3.754   9.570   6.823
   95   1HB   PHE  12          1HB       PHE  12  -2.079   9.387   4.343
   96   2HB   PHE  12          2HB       PHE  12  -1.484   9.343   5.986
   97    HD1  PHE  12           HD1      PHE  12  -4.036   7.561   3.943
   98    HD2  PHE  12           HD2      PHE  12  -0.854   7.247   6.741
   99    HE1  PHE  12           HE1      PHE  12  -4.259   5.132   3.902
  100    HE2  PHE  12           HE2      PHE  12  -1.076   4.792   6.709
  101    HZ   PHE  12           HZ       PHE  12  -2.790   3.734   5.271
  102    H    MET  13           H        MET  13  -2.618  11.406   7.515
  103    HA   MET  13           HA       MET  13  -3.499  13.868   6.402
  104   1HB   MET  13          1HB       MET  13  -1.539  13.158   8.573
  105   2HB   MET  13          2HB       MET  13  -1.785  14.825   8.072
  106   1HG   MET  13          1HG       MET  13  -4.011  14.832   8.801
  107   2HG   MET  13          2HG       MET  13  -4.065  13.075   8.919
  108   1HE   MET  13          1HE       MET  13  -2.615  11.703  10.789
  109   2HE   MET  13          2HE       MET  13  -4.299  12.099  11.130
  110   3HE   MET  13          3HE       MET  13  -3.077  12.285  12.389
  111    H    ARG  14           H        ARG  14  -0.527  12.004   6.153
  112    HA   ARG  14           HA       ARG  14   0.710  14.102   4.522
  113   1HB   ARG  14          1HB       ARG  14   1.793  11.619   5.839
  114   2HB   ARG  14          2HB       ARG  14   2.724  12.530   4.662
  115   1HG   ARG  14          1HG       ARG  14   3.379  13.947   6.229
  116   2HG   ARG  14          2HG       ARG  14   1.704  14.330   6.626
  117   1HD   ARG  14          1HD       ARG  14   1.927  13.276   8.566
  118   2HD   ARG  14          2HD       ARG  14   2.269  11.774   7.704
  119    HE   ARG  14           HE       ARG  14   4.538  12.101   8.058
  120   1HH1  ARG  14          1HH1      ARG  14   2.731  14.874   9.210
  121   2HH1  ARG  14          2HH1      ARG  14   4.061  15.515  10.112
  122   1HH2  ARG  14          1HH2      ARG  14   6.281  12.952   9.252
  123   2HH2  ARG  14          2HH2      ARG  14   6.074  14.427  10.137
  124    H    SER  15           H        SER  15   1.785  13.474   2.516
  125    HA   SER  15           HA       SER  15   0.106  11.672   0.970
  126   1HB   SER  15          1HB       SER  15   0.462  13.081  -0.685
  127   2HB   SER  15          2HB       SER  15   1.393  14.094   0.412
  128    HG   SER  15           HG       SER  15   3.214  13.364  -0.437
  129    H    ASP  16           H        ASP  16   3.548  12.072   1.769
  130    HA   ASP  16           HA       ASP  16   4.444   9.795   0.341
  131   1HB   ASP  16          1HB       ASP  16   5.664  11.878   1.684
  132   2HB   ASP  16          2HB       ASP  16   6.045  10.483   2.687
  133    H    HIS  17           H        HIS  17   3.568  10.301   3.751
  134    HA   HIS  17           HA       HIS  17   4.241   7.762   4.714
  135   1HB   HIS  17          1HB       HIS  17   2.457   9.956   5.609
  136   2HB   HIS  17          2HB       HIS  17   2.148   8.367   6.290
  137    HD1  HIS  17           HD1      HIS  17   2.883   9.400   8.596
  138    HD2  HIS  17           HD2      HIS  17   5.876   9.182   5.723
  139    HE1  HIS  17           HE1      HIS  17   5.033   9.746   9.838
  140    HE2  HIS  17           HE2      HIS  17   6.839   9.553   8.095
  141    H    LEU  18           H        LEU  18   1.151   8.955   3.393
  142    HA   LEU  18           HA       LEU  18  -0.352   6.629   3.722
  143   1HB   LEU  18          1HB       LEU  18  -1.223   8.849   3.028
  144   2HB   LEU  18          2HB       LEU  18  -0.532   8.600   1.447
  145    HG   LEU  18           HG       LEU  18  -2.467   6.596   2.523
  146   1HD1  LEU  18          1HD1      LEU  18  -3.613   8.735   0.885
  147   2HD1  LEU  18          2HD1      LEU  18  -3.178   9.205   2.529
  148   3HD1  LEU  18          3HD1      LEU  18  -4.294   7.866   2.257
  149   1HD2  LEU  18          1HD2      LEU  18  -2.931   7.132  -0.151
  150   2HD2  LEU  18          2HD2      LEU  18  -2.058   5.749   0.522
  151   3HD2  LEU  18          3HD2      LEU  18  -1.176   7.194   0.018
  152    H    THR  19           H        THR  19   1.664   7.677   0.989
  153    HA   THR  19           HA       THR  19   1.153   5.481  -0.657
  154    HB   THR  19           HB       THR  19   3.713   7.095  -0.538
  155    HG1  THR  19           HG1      THR  19   1.306   7.607  -1.951
  156   1HG2  THR  19          1HG2      THR  19   3.996   5.221  -1.997
  157   2HG2  THR  19          2HG2      THR  19   3.793   6.676  -2.971
  158   3HG2  THR  19          3HG2      THR  19   2.453   5.545  -2.786
  159    H    LEU  20           H        LEU  20   3.388   5.931   2.019
  160    HA   LEU  20           HA       LEU  20   5.001   3.650   1.595
  161   1HB   LEU  20          1HB       LEU  20   5.368   5.618   3.207
  162   2HB   LEU  20          2HB       LEU  20   4.296   4.766   4.302
  163    HG   LEU  20           HG       LEU  20   6.493   3.116   3.270
  164   1HD1  LEU  20          1HD1      LEU  20   7.099   5.460   5.067
  165   2HD1  LEU  20          2HD1      LEU  20   7.672   5.244   3.413
  166   3HD1  LEU  20          3HD1      LEU  20   8.202   4.139   4.681
  167   1HD2  LEU  20          1HD2      LEU  20   5.501   3.740   6.051
  168   2HD2  LEU  20          2HD2      LEU  20   6.627   2.455   5.609
  169   3HD2  LEU  20          3HD2      LEU  20   4.959   2.400   5.039
  170    H    HIS  21           H        HIS  21   1.885   4.150   3.129
  171    HA   HIS  21           HA       HIS  21   1.584   1.697   4.438
  172   1HB   HIS  21          1HB       HIS  21  -0.379   2.639   5.009
  173   2HB   HIS  21          2HB       HIS  21   0.050   4.015   4.032
  174    HD1  HIS  21           HD1      HIS  21  -2.035   4.648   2.789
  175    HD2  HIS  21           HD2      HIS  21  -1.424   0.556   2.799
  176    HE1  HIS  21           HE1      HIS  21  -3.912   3.627   1.437
  177    H    ILE  22           H        ILE  22   0.533   2.743   1.253
  178    HA   ILE  22           HA       ILE  22  -0.791   0.500   0.421
  179    HB   ILE  22           HB       ILE  22   0.820   2.222  -1.454
  180   1HG1  ILE  22          1HG1      ILE  22  -2.021   2.824  -0.803
  181   2HG1  ILE  22          2HG1      ILE  22  -0.825   3.308   0.374
  182   1HG2  ILE  22          1HG2      ILE  22  -0.747   1.615  -3.094
  183   2HG2  ILE  22          2HG2      ILE  22  -1.883   0.996  -1.895
  184   3HG2  ILE  22          3HG2      ILE  22  -0.399   0.108  -2.246
  185   1HD1  ILE  22          1HD1      ILE  22  -1.461   4.414  -2.243
  186   2HD1  ILE  22          2HD1      ILE  22   0.264   4.246  -1.918
  187   3HD1  ILE  22          3HD1      ILE  22  -0.754   5.177  -0.820
  188    H    LEU  23           H        LEU  23   2.584   0.666   0.965
  189    HA   LEU  23           HA       LEU  23   3.551  -1.160  -0.924
  190   1HB   LEU  23          1HB       LEU  23   4.465  -0.018   1.585
  191   2HB   LEU  23          2HB       LEU  23   4.968  -1.687   1.418
  192    HG   LEU  23           HG       LEU  23   5.460   0.327  -0.760
  193   1HD1  LEU  23          1HD1      LEU  23   7.275  -0.339   1.554
  194   2HD1  LEU  23          2HD1      LEU  23   6.462   1.203   1.285
  195   3HD1  LEU  23          3HD1      LEU  23   7.699   0.649   0.156
  196   1HD2  LEU  23          1HD2      LEU  23   5.673  -1.991  -1.407
  197   2HD2  LEU  23          2HD2      LEU  23   6.724  -2.311  -0.027
  198   3HD2  LEU  23          3HD2      LEU  23   7.272  -1.251  -1.326
  199    H    LEU  24           H        LEU  24   1.698  -1.646   2.028
  200    HA   LEU  24           HA       LEU  24   2.186  -4.357   2.487
  201   1HB   LEU  24          1HB       LEU  24  -0.165  -4.381   3.465
  202   2HB   LEU  24          2HB       LEU  24   0.999  -3.282   4.173
  203    HG   LEU  24           HG       LEU  24  -0.206  -1.671   2.320
  204   1HD1  LEU  24          1HD1      LEU  24  -2.408  -3.339   3.506
  205   2HD1  LEU  24          2HD1      LEU  24  -1.851  -3.480   1.840
  206   3HD1  LEU  24          3HD1      LEU  24  -2.564  -1.968   2.405
  207   1HD2  LEU  24          1HD2      LEU  24   0.327  -1.315   4.759
  208   2HD2  LEU  24          2HD2      LEU  24  -1.232  -2.058   5.119
  209   3HD2  LEU  24          3HD2      LEU  24  -1.161  -0.567   4.179
  210    H    HIS  25           H        HIS  25  -0.107  -2.830   0.264
  211    HA   HIS  25           HA       HIS  25  -1.587  -5.062  -0.482
  212   1HB   HIS  25          1HB       HIS  25  -0.799  -2.643  -2.114
  213   2HB   HIS  25          2HB       HIS  25  -1.997  -3.829  -2.625
  214    HD1  HIS  25           HD1      HIS  25  -4.130  -4.043  -0.892
  215    HD2  HIS  25           HD2      HIS  25  -1.778  -0.630  -0.633
  216    HE1  HIS  25           HE1      HIS  25  -5.498  -2.330   0.370
  217    H    GLU  26           H        GLU  26   1.633  -4.087  -1.478
  218    HA   GLU  26           HA       GLU  26   1.928  -5.604  -3.792
  219   1HB   GLU  26          1HB       GLU  26   3.528  -3.894  -2.604
  220   2HB   GLU  26          2HB       GLU  26   4.202  -5.338  -1.861
  221   1HG   GLU  26          1HG       GLU  26   4.401  -6.231  -4.259
  222   2HG   GLU  26          2HG       GLU  26   4.158  -4.556  -4.749
  223    H    ASN  27           H        ASN  27   3.210  -6.541  -0.581
  224    HA   ASN  27           HA       ASN  27   2.083  -9.101  -0.520
  225   1HB   ASN  27          1HB       ASN  27   4.292 -10.385  -0.917
  226   2HB   ASN  27          2HB       ASN  27   3.373  -9.859  -2.320
  227   1HD2  ASN  27          1HD2      ASN  27   4.420  -8.763  -3.836
  228   2HD2  ASN  27          2HD2      ASN  27   5.966  -8.015  -3.650
  229    H    LYS  28           H        LYS  28   2.379 -10.040   1.446
  230    HA   LYS  28           HA       LYS  28   4.640  -9.337   3.114
  231   1HB   LYS  28          1HB       LYS  28   2.020  -8.080   3.434
  232   2HB   LYS  28          2HB       LYS  28   2.569  -8.885   4.897
  233   1HG   LYS  28          1HG       LYS  28   4.198  -6.870   3.367
  234   2HG   LYS  28          2HG       LYS  28   3.184  -6.486   4.759
  235   1HD   LYS  28          1HD       LYS  28   4.507  -8.147   6.081
  236   2HD   LYS  28          2HD       LYS  28   5.590  -8.303   4.697
  237   1HE   LYS  28          1HE       LYS  28   6.089  -5.905   4.831
  238   2HE   LYS  28          2HE       LYS  28   5.018  -5.765   6.225
  239   1HZ   LYS  28          1HZ       LYS  28   7.306  -5.933   6.929
  240   2HZ   LYS  28          2HZ       LYS  28   7.504  -7.387   6.087
  241   3HZ   LYS  28          3HZ       LYS  28   6.462  -7.316   7.417
  242    H    LYS  29           H        LYS  29   5.240 -11.080   4.225
  243    HA   LYS  29           HA       LYS  29   3.261 -13.222   4.639
  244   1HB   LYS  29          1HB       LYS  29   6.232 -13.290   4.168
  245   2HB   LYS  29          2HB       LYS  29   5.394 -14.655   4.894
  246   1HG   LYS  29          1HG       LYS  29   3.828 -14.302   2.765
  247   2HG   LYS  29          2HG       LYS  29   5.333 -13.646   2.117
  248   1HD   LYS  29          1HD       LYS  29   6.443 -15.779   2.941
  249   2HD   LYS  29          2HD       LYS  29   4.813 -16.410   3.186
  250   1HE   LYS  29          1HE       LYS  29   5.196 -17.160   1.065
  251   2HE   LYS  29          2HE       LYS  29   4.501 -15.584   0.697
  252   1HZ   LYS  29          1HZ       LYS  29   6.490 -15.966  -0.597
  253   2HZ   LYS  29          2HZ       LYS  29   7.399 -16.225   0.804
  254   3HZ   LYS  29          3HZ       LYS  29   6.751 -14.695   0.490
  Start of MODEL    6
    1    H    TYR   1           H        TYR   1  -6.926  13.761   6.731
    2    HA   TYR   1           HA       TYR   1  -6.657  11.173   5.355
    3   1HB   TYR   1          1HB       TYR   1  -9.349  11.642   5.889
    4   2HB   TYR   1          2HB       TYR   1  -8.311  10.495   6.718
    5    HD1  TYR   1           HD1      TYR   1  -9.758  13.890   6.886
    6    HD2  TYR   1           HD2      TYR   1  -7.648  10.844   8.979
    7    HE1  TYR   1           HE1      TYR   1 -10.120  15.098   8.998
    8    HE2  TYR   1           HE2      TYR   1  -8.005  12.043  11.095
    9    HH   TYR   1           HH       TYR   1 -10.043  13.948  11.813
   10    H    LYS   2           H        LYS   2  -5.822  13.218   3.923
   11    HA   LYS   2           HA       LYS   2  -8.077  14.387   2.479
   12   1HB   LYS   2          1HB       LYS   2  -5.894  15.623   3.246
   13   2HB   LYS   2          2HB       LYS   2  -5.209  14.915   1.790
   14   1HG   LYS   2          1HG       LYS   2  -5.918  17.032   1.129
   15   2HG   LYS   2          2HG       LYS   2  -7.194  15.954   0.563
   16   1HD   LYS   2          1HD       LYS   2  -8.712  16.723   2.091
   17   2HD   LYS   2          2HD       LYS   2  -7.473  17.140   3.275
   18   1HE   LYS   2          1HE       LYS   2  -8.151  19.228   2.592
   19   2HE   LYS   2          2HE       LYS   2  -6.797  18.937   1.502
   20   1HZ   LYS   2          1HZ       LYS   2  -8.723  19.808   0.327
   21   2HZ   LYS   2          2HZ       LYS   2  -9.663  18.501   0.843
   22   3HZ   LYS   2          3HZ       LYS   2  -8.359  18.244  -0.204
   23    H    PHE   3           H        PHE   3  -5.397  12.136   2.013
   24    HA   PHE   3           HA       PHE   3  -6.042  11.773  -0.795
   25   1HB   PHE   3          1HB       PHE   3  -3.832  10.963   1.021
   26   2HB   PHE   3          2HB       PHE   3  -4.172   9.916  -0.342
   27    HD1  PHE   3           HD1      PHE   3  -4.207  10.971  -2.670
   28    HD2  PHE   3           HD2      PHE   3  -2.554  12.885   0.753
   29    HE1  PHE   3           HE1      PHE   3  -2.902  12.455  -4.136
   30    HE2  PHE   3           HE2      PHE   3  -1.248  14.373  -0.706
   31    HZ   PHE   3           HZ       PHE   3  -1.420  14.159  -3.154
   32    H    ALA   4           H        ALA   4  -6.050   9.409  -1.566
   33    HA   ALA   4           HA       ALA   4  -7.375   7.567   0.259
   34   1HB   ALA   4          1HB       ALA   4  -9.428   7.622  -0.630
   35   2HB   ALA   4          2HB       ALA   4  -8.810   7.724  -2.280
   36   3HB   ALA   4          3HB       ALA   4  -8.948   9.182  -1.297
   37    H    CYS   5           H        CYS   5  -6.949   5.459  -0.195
   38    HA   CYS   5           HA       CYS   5  -4.971   4.894  -2.204
   39   1HB   CYS   5          1HB       CYS   5  -5.179   3.827   0.137
   40   2HB   CYS   5          2HB       CYS   5  -6.419   2.812  -0.582
   41    HG   CYS   5           HG       CYS   5  -4.669   1.411  -1.545
   42    HA   PRO   6           HA       PRO   6  -7.784   3.690  -5.425
   43   1HB   PRO   6          1HB       PRO   6  -6.073   2.304  -6.998
   44   2HB   PRO   6          2HB       PRO   6  -6.035   4.066  -6.873
   45   1HG   PRO   6          1HG       PRO   6  -4.309   2.034  -5.511
   46   2HG   PRO   6          2HG       PRO   6  -3.844   3.565  -6.275
   47   1HD   PRO   6          1HD       PRO   6  -4.138   3.288  -3.591
   48   2HD   PRO   6          2HD       PRO   6  -4.464   4.813  -4.442
   49    H    GLU   7           H        GLU   7  -5.999   1.384  -3.509
   50    HA   GLU   7           HA       GLU   7  -7.585  -0.856  -4.519
   51   1HB   GLU   7          1HB       GLU   7  -4.999  -0.557  -3.114
   52   2HB   GLU   7          2HB       GLU   7  -5.957  -1.957  -2.664
   53   1HG   GLU   7          1HG       GLU   7  -5.967  -2.763  -4.909
   54   2HG   GLU   7          2HG       GLU   7  -5.227  -1.274  -5.498
   55    H    CYS   8           H        CYS   8  -6.748   0.738  -1.437
   56    HA   CYS   8           HA       CYS   8  -9.131  -0.513  -0.230
   57   1HB   CYS   8          1HB       CYS   8  -8.027  -0.403   1.903
   58   2HB   CYS   8          2HB       CYS   8  -6.938  -1.164   0.753
   59    HG   CYS   8           HG       CYS   8  -5.353   0.738   0.950
   60    HA   PRO   9           HA       PRO   9 -10.636   3.534   0.739
   61   1HB   PRO   9          1HB       PRO   9 -12.187   3.052   2.855
   62   2HB   PRO   9          2HB       PRO   9 -12.508   2.286   1.296
   63   1HG   PRO   9          1HG       PRO   9 -11.306   1.133   3.759
   64   2HG   PRO   9          2HG       PRO   9 -12.328   0.359   2.537
   65   1HD   PRO   9          1HD       PRO   9  -9.505   0.235   2.723
   66   2HD   PRO   9          2HD       PRO   9 -10.506  -0.343   1.381
   67    H    LYS  10           H        LYS  10  -7.925   3.191   1.849
   68    HA   LYS  10           HA       LYS  10  -8.038   4.264   4.531
   69   1HB   LYS  10          1HB       LYS  10  -5.682   3.760   2.703
   70   2HB   LYS  10          2HB       LYS  10  -5.552   4.343   4.338
   71   1HG   LYS  10          1HG       LYS  10  -6.947   1.771   3.721
   72   2HG   LYS  10          2HG       LYS  10  -5.197   1.854   3.932
   73   1HD   LYS  10          1HD       LYS  10  -7.092   2.961   5.985
   74   2HD   LYS  10          2HD       LYS  10  -6.626   1.260   5.977
   75   1HE   LYS  10          1HE       LYS  10  -4.858   1.861   7.191
   76   2HE   LYS  10          2HE       LYS  10  -4.222   2.609   5.729
   77   1HZ   LYS  10          1HZ       LYS  10  -5.386   4.672   6.393
   78   2HZ   LYS  10          2HZ       LYS  10  -4.191   4.201   7.493
   79   3HZ   LYS  10          3HZ       LYS  10  -5.822   3.933   7.851
   80    H    ARG  11           H        ARG  11  -6.923   6.256   5.114
   81    HA   ARG  11           HA       ARG  11  -6.686   8.290   3.042
   82   1HB   ARG  11          1HB       ARG  11  -8.123   9.853   4.492
   83   2HB   ARG  11          2HB       ARG  11  -8.957   8.660   3.506
   84   1HG   ARG  11          1HG       ARG  11  -9.059   7.194   5.543
   85   2HG   ARG  11          2HG       ARG  11  -8.462   8.571   6.471
   86   1HD   ARG  11          1HD       ARG  11 -10.396   9.809   6.114
   87   2HD   ARG  11          2HD       ARG  11 -10.864   8.855   4.707
   88    HE   ARG  11           HE       ARG  11 -10.881   7.165   6.925
   89   1HH1  ARG  11          1HH1      ARG  11 -12.628   9.965   5.752
   90   2HH1  ARG  11          2HH1      ARG  11 -14.097   9.540   6.563
   91   1HH2  ARG  11          1HH2      ARG  11 -12.818   6.610   7.988
   92   2HH2  ARG  11          2HH2      ARG  11 -14.205   7.636   7.833
   93    H    PHE  12           H        PHE  12  -5.051   9.666   3.464
   94    HA   PHE  12           HA       PHE  12  -4.083   9.878   6.234
   95   1HB   PHE  12          1HB       PHE  12  -2.258   9.546   3.882
   96   2HB   PHE  12          2HB       PHE  12  -1.809   9.540   5.573
   97    HD1  PHE  12           HD1      PHE  12  -4.169   7.700   3.339
   98    HD2  PHE  12           HD2      PHE  12  -1.266   7.478   6.441
   99    HE1  PHE  12           HE1      PHE  12  -4.376   5.264   3.345
  100    HE2  PHE  12           HE2      PHE  12  -1.474   5.024   6.452
  101    HZ   PHE  12           HZ       PHE  12  -3.030   3.915   4.889
  102    H    MET  13           H        MET  13  -2.922  11.760   6.756
  103    HA   MET  13           HA       MET  13  -3.733  14.095   5.286
  104   1HB   MET  13          1HB       MET  13  -2.169  13.632   7.809
  105   2HB   MET  13          2HB       MET  13  -2.236  15.229   7.080
  106   1HG   MET  13          1HG       MET  13  -4.728  15.085   7.194
  107   2HG   MET  13          2HG       MET  13  -4.537  13.595   8.117
  108   1HE   MET  13          1HE       MET  13  -5.108  14.100  10.881
  109   2HE   MET  13          2HE       MET  13  -3.510  14.504  11.508
  110   3HE   MET  13          3HE       MET  13  -3.678  13.294  10.234
  111    H    ARG  14           H        ARG  14  -0.839  12.159   5.569
  112    HA   ARG  14           HA       ARG  14   0.719  14.120   4.045
  113   1HB   ARG  14          1HB       ARG  14   1.499  11.625   5.553
  114   2HB   ARG  14          2HB       ARG  14   2.618  12.509   4.527
  115   1HG   ARG  14          1HG       ARG  14   2.505  14.433   5.918
  116   2HG   ARG  14          2HG       ARG  14   1.160  13.758   6.842
  117   1HD   ARG  14          1HD       ARG  14   3.150  13.518   8.145
  118   2HD   ARG  14          2HD       ARG  14   2.674  11.917   7.572
  119    HE   ARG  14           HE       ARG  14   4.427  12.614   5.700
  120   1HH1  ARG  14          1HH1      ARG  14   4.645  12.897   9.186
  121   2HH1  ARG  14          2HH1      ARG  14   6.368  12.740   9.211
  122   1HH2  ARG  14          1HH2      ARG  14   6.694  12.406   5.744
  123   2HH2  ARG  14          2HH2      ARG  14   7.532  12.462   7.259
  124    H    SER  15           H        SER  15   2.000  13.373   2.218
  125    HA   SER  15           HA       SER  15   0.485  11.498   0.574
  126   1HB   SER  15          1HB       SER  15   1.018  12.779  -1.146
  127   2HB   SER  15          2HB       SER  15   1.650  13.941   0.016
  128    HG   SER  15           HG       SER  15   3.662  13.329  -0.437
  129    H    ASP  16           H        ASP  16   3.794  12.005   1.758
  130    HA   ASP  16           HA       ASP  16   4.896   9.719   0.483
  131   1HB   ASP  16          1HB       ASP  16   5.925  11.875   1.869
  132   2HB   ASP  16          2HB       ASP  16   6.229  10.526   2.958
  133    H    HIS  17           H        HIS  17   3.824  10.306   3.833
  134    HA   HIS  17           HA       HIS  17   4.375   7.746   4.830
  135   1HB   HIS  17          1HB       HIS  17   2.629  10.006   5.662
  136   2HB   HIS  17          2HB       HIS  17   2.288   8.429   6.361
  137    HD1  HIS  17           HD1      HIS  17   3.006   9.599   8.642
  138    HD2  HIS  17           HD2      HIS  17   6.035   9.073   5.848
  139    HE1  HIS  17           HE1      HIS  17   5.148   9.902   9.911
  140    HE2  HIS  17           HE2      HIS  17   6.963   9.718   8.176
  141    H    LEU  18           H        LEU  18   1.450   9.056   3.297
  142    HA   LEU  18           HA       LEU  18  -0.222   6.845   3.629
  143   1HB   LEU  18          1HB       LEU  18  -0.911   9.074   2.813
  144   2HB   LEU  18          2HB       LEU  18  -0.116   8.752   1.294
  145    HG   LEU  18           HG       LEU  18  -2.282   6.944   2.293
  146   1HD1  LEU  18          1HD1      LEU  18  -3.281   9.101   2.386
  147   2HD1  LEU  18          2HD1      LEU  18  -3.842   8.313   0.911
  148   3HD1  LEU  18          3HD1      LEU  18  -2.583   9.547   0.833
  149   1HD2  LEU  18          1HD2      LEU  18  -2.479   7.164  -0.415
  150   2HD2  LEU  18          2HD2      LEU  18  -1.609   5.891   0.448
  151   3HD2  LEU  18          3HD2      LEU  18  -0.739   7.303  -0.157
  152    H    THR  19           H        THR  19   1.998   7.665   0.968
  153    HA   THR  19           HA       THR  19   1.443   5.427  -0.604
  154    HB   THR  19           HB       THR  19   4.034   6.984  -0.416
  155    HG1  THR  19           HG1      THR  19   2.755   8.476  -1.171
  156   1HG2  THR  19          1HG2      THR  19   4.496   5.009  -1.647
  157   2HG2  THR  19          2HG2      THR  19   4.297   6.322  -2.807
  158   3HG2  THR  19          3HG2      THR  19   2.996   5.157  -2.563
  159    H    LEU  20           H        LEU  20   3.567   5.873   2.160
  160    HA   LEU  20           HA       LEU  20   5.122   3.549   1.938
  161   1HB   LEU  20          1HB       LEU  20   5.389   5.479   3.578
  162   2HB   LEU  20          2HB       LEU  20   4.122   4.734   4.528
  163    HG   LEU  20           HG       LEU  20   6.434   4.265   5.327
  164   1HD1  LEU  20          1HD1      LEU  20   4.297   2.698   5.458
  165   2HD1  LEU  20          2HD1      LEU  20   5.861   2.220   6.118
  166   3HD1  LEU  20          3HD1      LEU  20   5.351   1.626   4.538
  167   1HD2  LEU  20          1HD2      LEU  20   7.890   2.815   4.140
  168   2HD2  LEU  20          2HD2      LEU  20   7.407   4.085   3.016
  169   3HD2  LEU  20          3HD2      LEU  20   6.668   2.487   2.912
  170    H    HIS  21           H        HIS  21   1.954   4.129   3.393
  171    HA   HIS  21           HA       HIS  21   1.441   1.671   4.549
  172   1HB   HIS  21          1HB       HIS  21  -0.528   2.670   4.969
  173   2HB   HIS  21          2HB       HIS  21  -0.008   4.028   4.012
  174    HD1  HIS  21           HD1      HIS  21  -1.974   4.679   2.601
  175    HD2  HIS  21           HD2      HIS  21  -1.444   0.578   2.718
  176    HE1  HIS  21           HE1      HIS  21  -3.785   3.670   1.154
  177    H    ILE  22           H        ILE  22   0.641   2.740   1.287
  178    HA   ILE  22           HA       ILE  22  -0.640   0.497   0.376
  179    HB   ILE  22           HB       ILE  22   1.093   2.198  -1.407
  180   1HG1  ILE  22          1HG1      ILE  22  -1.774   2.834  -0.948
  181   2HG1  ILE  22          2HG1      ILE  22  -0.661   3.298   0.316
  182   1HG2  ILE  22          1HG2      ILE  22  -0.213   1.476  -3.151
  183   2HG2  ILE  22          2HG2      ILE  22  -1.605   1.160  -2.113
  184   3HG2  ILE  22          3HG2      ILE  22  -0.245   0.036  -2.135
  185   1HD1  ILE  22          1HD1      ILE  22   0.593   4.211  -1.916
  186   2HD1  ILE  22          2HD1      ILE  22  -0.440   5.163  -0.849
  187   3HD1  ILE  22          3HD1      ILE  22  -1.109   4.443  -2.310
  188    H    LEU  23           H        LEU  23   2.685   0.632   1.153
  189    HA   LEU  23           HA       LEU  23   3.768  -1.188  -0.675
  190   1HB   LEU  23          1HB       LEU  23   4.445  -0.285   2.065
  191   2HB   LEU  23          2HB       LEU  23   5.131  -1.817   1.564
  192    HG   LEU  23           HG       LEU  23   6.106  -0.672  -0.428
  193   1HD1  LEU  23          1HD1      LEU  23   6.179   1.720  -0.538
  194   2HD1  LEU  23          2HD1      LEU  23   5.300   1.864   0.984
  195   3HD1  LEU  23          3HD1      LEU  23   4.491   1.220  -0.445
  196   1HD2  LEU  23          1HD2      LEU  23   6.893   0.417   2.272
  197   2HD2  LEU  23          2HD2      LEU  23   7.893   0.452   0.821
  198   3HD2  LEU  23          3HD2      LEU  23   7.452  -1.092   1.551
  199    H    LEU  24           H        LEU  24   1.704  -1.662   2.137
  200    HA   LEU  24           HA       LEU  24   2.078  -4.422   2.517
  201   1HB   LEU  24          1HB       LEU  24  -0.242  -4.371   3.508
  202   2HB   LEU  24          2HB       LEU  24   0.938  -3.292   4.225
  203    HG   LEU  24           HG       LEU  24  -0.232  -1.650   2.384
  204   1HD1  LEU  24          1HD1      LEU  24  -2.493  -3.258   3.535
  205   2HD1  LEU  24          2HD1      LEU  24  -1.894  -3.465   1.890
  206   3HD1  LEU  24          3HD1      LEU  24  -2.580  -1.917   2.391
  207   1HD2  LEU  24          1HD2      LEU  24  -1.122  -0.522   4.230
  208   2HD2  LEU  24          2HD2      LEU  24   0.268  -1.397   4.873
  209   3HD2  LEU  24          3HD2      LEU  24  -1.362  -2.016   5.137
  210    H    HIS  25           H        HIS  25   0.070  -2.665   0.227
  211    HA   HIS  25           HA       HIS  25  -1.641  -4.708  -0.578
  212   1HB   HIS  25          1HB       HIS  25  -0.580  -2.273  -1.980
  213   2HB   HIS  25          2HB       HIS  25  -1.652  -3.398  -2.807
  214    HD1  HIS  25           HD1      HIS  25  -3.977  -3.878  -1.263
  215    HD2  HIS  25           HD2      HIS  25  -1.919  -0.306  -0.751
  216    HE1  HIS  25           HE1      HIS  25  -5.594  -2.275  -0.166
  217    H    GLU  26           H        GLU  26   1.731  -4.198  -1.400
  218    HA   GLU  26           HA       GLU  26   1.846  -5.759  -3.732
  219   1HB   GLU  26          1HB       GLU  26   4.174  -5.688  -3.538
  220   2HB   GLU  26          2HB       GLU  26   3.644  -4.217  -2.739
  221   1HG   GLU  26          1HG       GLU  26   4.875  -4.808  -1.002
  222   2HG   GLU  26          2HG       GLU  26   3.745  -6.128  -0.716
  223    H    ASN  27           H        ASN  27   1.803  -6.664  -0.344
  224    HA   ASN  27           HA       ASN  27   1.591  -9.475  -1.147
  225   1HB   ASN  27          1HB       ASN  27   3.942  -8.863  -0.300
  226   2HB   ASN  27          2HB       ASN  27   3.193  -8.678   1.281
  227   1HD2  ASN  27          1HD2      ASN  27   5.161 -10.480   1.028
  228   2HD2  ASN  27          2HD2      ASN  27   4.534 -12.088   1.079
  229    H    LYS  28           H        LYS  28  -0.555  -9.659  -0.700
  230    HA   LYS  28           HA       LYS  28  -1.653  -8.619   1.772
  231   1HB   LYS  28          1HB       LYS  28  -2.709  -9.070  -0.733
  232   2HB   LYS  28          2HB       LYS  28  -3.367 -10.405   0.202
  233   1HG   LYS  28          1HG       LYS  28  -3.560  -7.531   1.065
  234   2HG   LYS  28          2HG       LYS  28  -4.791  -8.343   0.098
  235   1HD   LYS  28          1HD       LYS  28  -3.885  -9.619   2.637
  236   2HD   LYS  28          2HD       LYS  28  -4.972  -8.233   2.725
  237   1HE   LYS  28          1HE       LYS  28  -6.481  -9.961   2.647
  238   2HE   LYS  28          2HE       LYS  28  -6.337  -9.569   0.934
  239   1HZ   LYS  28          1HZ       LYS  28  -5.141 -11.462   0.510
  240   2HZ   LYS  28          2HZ       LYS  28  -6.161 -12.019   1.738
  241   3HZ   LYS  28          3HZ       LYS  28  -4.561 -11.606   2.093
  242    H    LYS  29           H        LYS  29  -1.780  -9.706   3.614
  243    HA   LYS  29           HA       LYS  29  -1.035 -12.506   3.695
  244   1HB   LYS  29          1HB       LYS  29  -1.051 -12.242   6.127
  245   2HB   LYS  29          2HB       LYS  29  -0.104 -10.975   5.361
  246   1HG   LYS  29          1HG       LYS  29  -2.027  -9.440   5.603
  247   2HG   LYS  29          2HG       LYS  29  -2.894 -10.713   6.465
  248   1HD   LYS  29          1HD       LYS  29  -1.291 -10.705   8.236
  249   2HD   LYS  29          2HD       LYS  29  -0.215  -9.638   7.330
  250   1HE   LYS  29          1HE       LYS  29  -1.504  -7.779   7.723
  251   2HE   LYS  29          2HE       LYS  29  -2.986  -8.715   7.917
  252   1HZ   LYS  29          1HZ       LYS  29  -2.203  -7.770  10.015
  253   2HZ   LYS  29          2HZ       LYS  29  -0.754  -8.631   9.876
  254   3HZ   LYS  29          3HZ       LYS  29  -2.215  -9.461  10.066
  Start of MODEL    7
    1    H    TYR   1           H        TYR   1 -11.476  13.501   4.419
    2    HA   TYR   1           HA       TYR   1  -9.087  13.751   4.775
    3   1HB   TYR   1          1HB       TYR   1  -8.570  11.580   3.785
    4   2HB   TYR   1          2HB       TYR   1 -10.207  11.577   4.428
    5    HD1  TYR   1           HD1      TYR   1  -8.239  11.819   1.293
    6    HD2  TYR   1           HD2      TYR   1 -12.053  11.092   3.032
    7    HE1  TYR   1           HE1      TYR   1  -9.079  11.056  -0.886
    8    HE2  TYR   1           HE2      TYR   1 -12.904  10.326   0.857
    9    HH   TYR   1           HH       TYR   1 -11.382   9.269  -1.450
   10    H    LYS   2           H        LYS   2  -6.988  13.309   3.553
   11    HA   LYS   2           HA       LYS   2  -6.742  15.320   1.469
   12   1HB   LYS   2          1HB       LYS   2  -5.130  15.303   3.322
   13   2HB   LYS   2          2HB       LYS   2  -4.629  13.680   2.879
   14   1HG   LYS   2          1HG       LYS   2  -2.971  14.905   1.906
   15   2HG   LYS   2          2HG       LYS   2  -4.113  14.807   0.565
   16   1HD   LYS   2          1HD       LYS   2  -4.493  17.017   0.586
   17   2HD   LYS   2          2HD       LYS   2  -4.606  17.070   2.346
   18   1HE   LYS   2          1HE       LYS   2  -1.924  16.665   1.130
   19   2HE   LYS   2          2HE       LYS   2  -2.646  18.270   1.021
   20   1HZ   LYS   2          1HZ       LYS   2  -2.866  18.316   3.414
   21   2HZ   LYS   2          2HZ       LYS   2  -1.254  18.018   2.993
   22   3HZ   LYS   2          3HZ       LYS   2  -2.232  16.751   3.541
   23    H    PHE   3           H        PHE   3  -5.500  11.972   1.847
   24    HA   PHE   3           HA       PHE   3  -5.878  11.622  -1.052
   25   1HB   PHE   3          1HB       PHE   3  -3.569  11.090   0.695
   26   2HB   PHE   3          2HB       PHE   3  -3.984   9.780  -0.393
   27    HD1  PHE   3           HD1      PHE   3  -4.061  10.220  -2.863
   28    HD2  PHE   3           HD2      PHE   3  -2.486  13.023  -0.075
   29    HE1  PHE   3           HE1      PHE   3  -2.886  11.374  -4.692
   30    HE2  PHE   3           HE2      PHE   3  -1.309  14.182  -1.898
   31    HZ   PHE   3           HZ       PHE   3  -1.509  13.358  -4.211
   32    H    ALA   4           H        ALA   4  -6.156   9.351  -1.734
   33    HA   ALA   4           HA       ALA   4  -7.308   7.588   0.303
   34   1HB   ALA   4          1HB       ALA   4  -9.118   7.106  -1.553
   35   2HB   ALA   4          2HB       ALA   4  -8.743   8.764  -2.027
   36   3HB   ALA   4          3HB       ALA   4  -9.322   8.422  -0.396
   37    H    CYS   5           H        CYS   5  -7.004   5.422  -0.079
   38    HA   CYS   5           HA       CYS   5  -5.045   4.722  -2.058
   39   1HB   CYS   5          1HB       CYS   5  -5.256   3.737   0.296
   40   2HB   CYS   5          2HB       CYS   5  -6.577   2.774  -0.345
   41    HG   CYS   5           HG       CYS   5  -4.072   1.646  -0.408
   42    HA   PRO   6           HA       PRO   6  -7.878   3.497  -5.250
   43   1HB   PRO   6          1HB       PRO   6  -6.176   2.088  -6.804
   44   2HB   PRO   6          2HB       PRO   6  -6.111   3.850  -6.688
   45   1HG   PRO   6          1HG       PRO   6  -4.424   1.798  -5.307
   46   2HG   PRO   6          2HG       PRO   6  -3.928   3.317  -6.077
   47   1HD   PRO   6          1HD       PRO   6  -4.250   3.056  -3.391
   48   2HD   PRO   6          2HD       PRO   6  -4.525   4.583  -4.255
   49    H    GLU   7           H        GLU   7  -6.140   1.230  -3.260
   50    HA   GLU   7           HA       GLU   7  -7.731  -1.018  -4.247
   51   1HB   GLU   7          1HB       GLU   7  -5.138  -0.730  -2.831
   52   2HB   GLU   7          2HB       GLU   7  -6.096  -2.149  -2.449
   53   1HG   GLU   7          1HG       GLU   7  -4.611  -2.774  -4.169
   54   2HG   GLU   7          2HG       GLU   7  -6.203  -2.622  -4.910
   55    H    CYS   8           H        CYS   8  -6.848   0.598  -1.184
   56    HA   CYS   8           HA       CYS   8  -9.230  -0.632   0.047
   57   1HB   CYS   8          1HB       CYS   8  -8.116  -0.541   2.167
   58   2HB   CYS   8          2HB       CYS   8  -7.024  -1.287   1.014
   59    HG   CYS   8           HG       CYS   8  -5.421   0.563   1.302
   60    HA   PRO   9           HA       PRO   9 -10.722   3.420   0.992
   61   1HB   PRO   9          1HB       PRO   9 -12.222   2.981   3.153
   62   2HB   PRO   9          2HB       PRO   9 -12.574   2.177   1.620
   63   1HG   PRO   9          1HG       PRO   9 -11.299   1.090   4.079
   64   2HG   PRO   9          2HG       PRO   9 -12.360   0.286   2.913
   65   1HD   PRO   9          1HD       PRO   9  -9.540   0.151   3.006
   66   2HD   PRO   9          2HD       PRO   9 -10.583  -0.435   1.700
   67    H    LYS  10           H        LYS  10  -7.981   3.075   2.083
   68    HA   LYS  10           HA       LYS  10  -8.068   4.266   4.718
   69   1HB   LYS  10          1HB       LYS  10  -5.699   3.686   2.926
   70   2HB   LYS  10          2HB       LYS  10  -5.602   4.253   4.568
   71   1HG   LYS  10          1HG       LYS  10  -7.131   1.767   4.066
   72   2HG   LYS  10          2HG       LYS  10  -5.371   1.702   3.970
   73   1HD   LYS  10          1HD       LYS  10  -6.622   3.044   6.317
   74   2HD   LYS  10          2HD       LYS  10  -6.643   1.281   6.244
   75   1HE   LYS  10          1HE       LYS  10  -4.070   1.746   5.602
   76   2HE   LYS  10          2HE       LYS  10  -4.384   3.143   6.631
   77   1HZ   LYS  10          1HZ       LYS  10  -4.831   0.306   7.392
   78   2HZ   LYS  10          2HZ       LYS  10  -5.118   1.649   8.380
   79   3HZ   LYS  10          3HZ       LYS  10  -3.539   1.273   7.904
   80    H    ARG  11           H        ARG  11  -6.966   6.273   5.213
   81    HA   ARG  11           HA       ARG  11  -6.674   8.188   3.035
   82   1HB   ARG  11          1HB       ARG  11  -8.104   9.856   4.243
   83   2HB   ARG  11          2HB       ARG  11  -8.988   8.500   3.557
   84   1HG   ARG  11          1HG       ARG  11  -8.846   7.447   5.873
   85   2HG   ARG  11          2HG       ARG  11  -8.339   9.041   6.435
   86   1HD   ARG  11          1HD       ARG  11 -10.568   9.302   6.732
   87   2HD   ARG  11          2HD       ARG  11 -10.496   9.755   5.031
   88    HE   ARG  11           HE       ARG  11 -10.882   6.993   5.168
   89   1HH1  ARG  11          1HH1      ARG  11 -12.611   9.934   5.960
   90   2HH1  ARG  11          2HH1      ARG  11 -14.172   9.222   5.734
   91   1HH2  ARG  11          1HH2      ARG  11 -12.942   6.063   4.866
   92   2HH2  ARG  11          2HH2      ARG  11 -14.361   7.025   5.112
   93    H    PHE  12           H        PHE  12  -5.038   9.583   3.385
   94    HA   PHE  12           HA       PHE  12  -4.072   9.967   6.132
   95   1HB   PHE  12          1HB       PHE  12  -2.214   9.416   3.851
   96   2HB   PHE  12          2HB       PHE  12  -1.803   9.515   5.546
   97    HD1  PHE  12           HD1      PHE  12  -4.178   7.578   3.412
   98    HD2  PHE  12           HD2      PHE  12  -1.293   7.500   6.537
   99    HE1  PHE  12           HE1      PHE  12  -4.430   5.154   3.571
  100    HE2  PHE  12           HE2      PHE  12  -1.546   5.056   6.703
  101    HZ   PHE  12           HZ       PHE  12  -3.117   3.880   5.203
  102    H    MET  13           H        MET  13  -3.124  11.926   6.565
  103    HA   MET  13           HA       MET  13  -3.774  14.085   4.805
  104   1HB   MET  13          1HB       MET  13  -2.293  13.952   7.429
  105   2HB   MET  13          2HB       MET  13  -2.540  15.458   6.557
  106   1HG   MET  13          1HG       MET  13  -4.606  15.661   7.324
  107   2HG   MET  13          2HG       MET  13  -5.017  14.014   6.850
  108   1HE   MET  13          1HE       MET  13  -2.927  16.059   9.288
  109   2HE   MET  13          2HE       MET  13  -3.294  15.378  10.872
  110   3HE   MET  13          3HE       MET  13  -4.511  16.325  10.016
  111    H    ARG  14           H        ARG  14  -0.938  12.154   5.367
  112    HA   ARG  14           HA       ARG  14   0.752  14.027   3.873
  113   1HB   ARG  14          1HB       ARG  14   1.404  11.557   5.485
  114   2HB   ARG  14          2HB       ARG  14   2.594  12.428   4.532
  115   1HG   ARG  14          1HG       ARG  14   2.961  13.394   6.551
  116   2HG   ARG  14          2HG       ARG  14   1.705  14.477   5.948
  117   1HD   ARG  14          1HD       ARG  14   0.498  13.997   7.750
  118   2HD   ARG  14          2HD       ARG  14   0.359  12.337   7.167
  119    HE   ARG  14           HE       ARG  14   2.815  12.647   8.502
  120   1HH1  ARG  14          1HH1      ARG  14  -0.615  12.524   9.185
  121   2HH1  ARG  14          2HH1      ARG  14  -0.398  11.907  10.789
  122   1HH2  ARG  14          1HH2      ARG  14   3.097  11.837  10.614
  123   2HH2  ARG  14          2HH2      ARG  14   1.710  11.517  11.600
  124    H    SER  15           H        SER  15   2.102  13.215   2.138
  125    HA   SER  15           HA       SER  15   0.650  11.310   0.475
  126   1HB   SER  15          1HB       SER  15   1.234  12.615  -1.198
  127   2HB   SER  15          2HB       SER  15   2.020  13.701  -0.057
  128    HG   SER  15           HG       SER  15   3.934  12.901  -0.588
  129    H    ASP  16           H        ASP  16   3.910  11.791   1.804
  130    HA   ASP  16           HA       ASP  16   5.006   9.426   0.670
  131   1HB   ASP  16          1HB       ASP  16   6.064  11.613   1.927
  132   2HB   ASP  16          2HB       ASP  16   6.235  10.374   3.164
  133    H    HIS  17           H        HIS  17   3.796  10.197   3.932
  134    HA   HIS  17           HA       HIS  17   4.255   7.682   5.085
  135   1HB   HIS  17          1HB       HIS  17   2.415   9.959   5.702
  136   2HB   HIS  17          2HB       HIS  17   2.185   8.428   6.534
  137    HD1  HIS  17           HD1      HIS  17   2.800  10.066   8.633
  138    HD2  HIS  17           HD2      HIS  17   5.891   9.051   6.049
  139    HE1  HIS  17           HE1      HIS  17   4.917  10.572   9.886
  140    HE2  HIS  17           HE2      HIS  17   6.776   9.878   8.333
  141    H    LEU  18           H        LEU  18   1.414   8.974   3.384
  142    HA   LEU  18           HA       LEU  18  -0.300   6.797   3.724
  143   1HB   LEU  18          1HB       LEU  18  -0.869   9.043   2.784
  144   2HB   LEU  18          2HB       LEU  18  -0.109   8.563   1.291
  145    HG   LEU  18           HG       LEU  18  -2.317   6.905   2.424
  146   1HD1  LEU  18          1HD1      LEU  18  -3.823   8.307   0.915
  147   2HD1  LEU  18          2HD1      LEU  18  -2.553   9.528   1.009
  148   3HD1  LEU  18          3HD1      LEU  18  -3.365   8.989   2.475
  149   1HD2  LEU  18          1HD2      LEU  18  -0.838   7.122  -0.076
  150   2HD2  LEU  18          2HD2      LEU  18  -2.587   7.044  -0.287
  151   3HD2  LEU  18          3HD2      LEU  18  -1.746   5.767   0.600
  152    H    THR  19           H        THR  19   2.028   7.498   1.127
  153    HA   THR  19           HA       THR  19   1.506   5.217  -0.394
  154    HB   THR  19           HB       THR  19   4.085   6.788  -0.155
  155    HG1  THR  19           HG1      THR  19   2.803   8.219  -1.031
  156   1HG2  THR  19          1HG2      THR  19   4.656   4.786  -1.269
  157   2HG2  THR  19          2HG2      THR  19   4.445   6.016  -2.514
  158   3HG2  THR  19          3HG2      THR  19   3.182   4.819  -2.234
  159    H    LEU  20           H        LEU  20   3.522   5.728   2.439
  160    HA   LEU  20           HA       LEU  20   5.063   3.383   2.338
  161   1HB   LEU  20          1HB       LEU  20   5.314   5.361   3.915
  162   2HB   LEU  20          2HB       LEU  20   4.011   4.667   4.858
  163    HG   LEU  20           HG       LEU  20   5.469   2.560   5.008
  164   1HD1  LEU  20          1HD1      LEU  20   7.879   2.955   4.796
  165   2HD1  LEU  20          2HD1      LEU  20   7.551   4.554   4.130
  166   3HD1  LEU  20          3HD1      LEU  20   7.044   3.111   3.250
  167   1HD2  LEU  20          1HD2      LEU  20   6.399   5.094   6.353
  168   2HD2  LEU  20          2HD2      LEU  20   6.697   3.449   6.912
  169   3HD2  LEU  20          3HD2      LEU  20   5.053   4.085   6.879
  170    H    HIS  21           H        HIS  21   1.789   4.008   3.453
  171    HA   HIS  21           HA       HIS  21   1.281   1.541   4.708
  172   1HB   HIS  21          1HB       HIS  21  -0.672   2.563   5.153
  173   2HB   HIS  21          2HB       HIS  21  -0.111   3.943   4.252
  174    HD1  HIS  21           HD1      HIS  21  -2.004   4.699   2.808
  175    HD2  HIS  21           HD2      HIS  21  -1.669   0.577   2.878
  176    HE1  HIS  21           HE1      HIS  21  -3.843   3.794   1.328
  177    H    ILE  22           H        ILE  22   0.521   2.713   1.473
  178    HA   ILE  22           HA       ILE  22  -0.784   0.493   0.507
  179    HB   ILE  22           HB       ILE  22   0.957   2.228  -1.235
  180   1HG1  ILE  22          1HG1      ILE  22  -1.900   2.888  -0.771
  181   2HG1  ILE  22          2HG1      ILE  22  -0.794   3.298   0.518
  182   1HG2  ILE  22          1HG2      ILE  22  -1.753   1.232  -1.957
  183   2HG2  ILE  22          2HG2      ILE  22  -0.404   0.094  -2.003
  184   3HG2  ILE  22          3HG2      ILE  22  -0.360   1.554  -2.991
  185   1HD1  ILE  22          1HD1      ILE  22  -1.267   4.601  -1.991
  186   2HD1  ILE  22          2HD1      ILE  22   0.441   4.213  -1.782
  187   3HD1  ILE  22          3HD1      ILE  22  -0.402   5.170  -0.564
  188    H    LEU  23           H        LEU  23   2.546   0.668   1.278
  189    HA   LEU  23           HA       LEU  23   3.714  -1.054  -0.553
  190   1HB   LEU  23          1HB       LEU  23   4.244  -0.283   2.244
  191   2HB   LEU  23          2HB       LEU  23   4.923  -1.824   1.759
  192    HG   LEU  23           HG       LEU  23   6.082  -0.698  -0.119
  193   1HD1  LEU  23          1HD1      LEU  23   4.963   1.800   1.140
  194   2HD1  LEU  23          2HD1      LEU  23   4.614   1.178  -0.472
  195   3HD1  LEU  23          3HD1      LEU  23   6.231   1.768  -0.086
  196   1HD2  LEU  23          1HD2      LEU  23   7.195  -1.075   2.044
  197   2HD2  LEU  23          2HD2      LEU  23   6.661   0.518   2.579
  198   3HD2  LEU  23          3HD2      LEU  23   7.786   0.373   1.229
  199    H    LEU  24           H        LEU  24   1.542  -1.743   2.144
  200    HA   LEU  24           HA       LEU  24   1.903  -4.514   2.337
  201   1HB   LEU  24          1HB       LEU  24  -0.547  -4.537   3.071
  202   2HB   LEU  24          2HB       LEU  24   0.587  -3.605   4.024
  203    HG   LEU  24           HG       LEU  24  -0.359  -1.718   2.272
  204   1HD1  LEU  24          1HD1      LEU  24  -2.733  -1.887   2.149
  205   2HD1  LEU  24          2HD1      LEU  24  -2.726  -3.390   3.076
  206   3HD1  LEU  24          3HD1      LEU  24  -2.042  -3.353   1.451
  207   1HD2  LEU  24          1HD2      LEU  24  -1.614  -2.366   4.927
  208   2HD2  LEU  24          2HD2      LEU  24  -1.440  -0.784   4.166
  209   3HD2  LEU  24          3HD2      LEU  24  -0.017  -1.639   4.759
  210    H    HIS  25           H        HIS  25  -0.125  -2.628   0.128
  211    HA   HIS  25           HA       HIS  25  -1.464  -4.807  -1.074
  212   1HB   HIS  25          1HB       HIS  25  -0.834  -2.071  -2.207
  213   2HB   HIS  25          2HB       HIS  25  -1.964  -3.219  -2.913
  214    HD1  HIS  25           HD1      HIS  25  -4.003  -3.904  -1.101
  215    HD2  HIS  25           HD2      HIS  25  -2.001  -0.304  -0.584
  216    HE1  HIS  25           HE1      HIS  25  -5.492  -2.465   0.350
  217    H    GLU  26           H        GLU  26   1.539  -3.105  -1.909
  218    HA   GLU  26           HA       GLU  26   2.061  -4.348  -4.356
  219   1HB   GLU  26          1HB       GLU  26   3.872  -3.161  -2.262
  220   2HB   GLU  26          2HB       GLU  26   4.510  -3.855  -3.745
  221   1HG   GLU  26          1HG       GLU  26   4.113  -1.971  -4.825
  222   2HG   GLU  26          2HG       GLU  26   2.399  -2.078  -4.429
  223    H    ASN  27           H        ASN  27   2.996  -5.332  -1.063
  224    HA   ASN  27           HA       ASN  27   4.305  -7.726  -1.998
  225   1HB   ASN  27          1HB       ASN  27   5.040  -6.509   0.050
  226   2HB   ASN  27          2HB       ASN  27   3.527  -6.964   0.827
  227   1HD2  ASN  27          1HD2      ASN  27   6.446  -8.269  -0.665
  228   2HD2  ASN  27          2HD2      ASN  27   6.473  -9.733   0.252
  229    H    LYS  28           H        LYS  28   3.580  -9.840  -1.820
  230    HA   LYS  28           HA       LYS  28   0.682 -10.126  -1.382
  231   1HB   LYS  28          1HB       LYS  28   0.775 -12.082  -2.842
  232   2HB   LYS  28          2HB       LYS  28   1.403 -10.658  -3.659
  233   1HG   LYS  28          1HG       LYS  28   3.214 -11.818  -4.175
  234   2HG   LYS  28          2HG       LYS  28   3.618 -11.887  -2.459
  235   1HD   LYS  28          1HD       LYS  28   3.602 -14.127  -3.134
  236   2HD   LYS  28          2HD       LYS  28   2.031 -13.899  -2.363
  237   1HE   LYS  28          1HE       LYS  28   1.534 -15.068  -4.323
  238   2HE   LYS  28          2HE       LYS  28   1.161 -13.392  -4.720
  239   1HZ   LYS  28          1HZ       LYS  28   3.700 -14.772  -5.412
  240   2HZ   LYS  28          2HZ       LYS  28   3.257 -13.203  -5.863
  241   3HZ   LYS  28          3HZ       LYS  28   2.409 -14.530  -6.479
  242    H    LYS  29           H        LYS  29  -0.128 -11.793  -0.132
  243    HA   LYS  29           HA       LYS  29   1.798 -13.465   1.319
  244   1HB   LYS  29          1HB       LYS  29   0.458 -13.047   3.423
  245   2HB   LYS  29          2HB       LYS  29   1.441 -11.701   2.864
  246   1HG   LYS  29          1HG       LYS  29  -0.332 -10.379   2.620
  247   2HG   LYS  29          2HG       LYS  29  -1.254 -11.626   1.781
  248   1HD   LYS  29          1HD       LYS  29  -0.852 -11.908   4.716
  249   2HD   LYS  29          2HD       LYS  29  -1.999 -10.695   4.145
  250   1HE   LYS  29          1HE       LYS  29  -3.328 -12.318   3.063
  251   2HE   LYS  29          2HE       LYS  29  -2.074 -13.548   3.199
  252   1HZ   LYS  29          1HZ       LYS  29  -2.403 -13.616   5.568
  253   2HZ   LYS  29          2HZ       LYS  29  -3.887 -13.863   4.797
  254   3HZ   LYS  29          3HZ       LYS  29  -3.539 -12.362   5.496
  Start of MODEL    8
    1    H    TYR   1           H        TYR   1  -7.147  14.017   5.915
    2    HA   TYR   1           HA       TYR   1  -7.051  11.220   5.054
    3   1HB   TYR   1          1HB       TYR   1  -9.472  11.098   5.353
    4   2HB   TYR   1          2HB       TYR   1  -8.689  11.415   6.895
    5    HD1  TYR   1           HD1      TYR   1 -11.144  12.530   4.531
    6    HD2  TYR   1           HD2      TYR   1  -8.700  13.812   7.771
    7    HE1  TYR   1           HE1      TYR   1 -12.610  14.475   4.858
    8    HE2  TYR   1           HE2      TYR   1 -10.160  15.761   8.106
    9    HH   TYR   1           HH       TYR   1 -12.013  17.041   6.112
   10    H    LYS   2           H        LYS   2  -6.090  13.640   3.791
   11    HA   LYS   2           HA       LYS   2  -8.060  14.576   1.940
   12   1HB   LYS   2          1HB       LYS   2  -6.030  15.864   2.734
   13   2HB   LYS   2          2HB       LYS   2  -5.065  14.839   1.682
   14   1HG   LYS   2          1HG       LYS   2  -5.488  16.878   0.536
   15   2HG   LYS   2          2HG       LYS   2  -6.453  15.619  -0.236
   16   1HD   LYS   2          1HD       LYS   2  -8.273  16.858   0.078
   17   2HD   LYS   2          2HD       LYS   2  -8.040  16.723   1.822
   18   1HE   LYS   2          1HE       LYS   2  -6.656  18.704   1.829
   19   2HE   LYS   2          2HE       LYS   2  -6.738  18.805   0.071
   20   1HZ   LYS   2          1HZ       LYS   2  -9.054  19.066   1.914
   21   2HZ   LYS   2          2HZ       LYS   2  -9.108  19.203   0.229
   22   3HZ   LYS   2          3HZ       LYS   2  -8.266  20.351   1.143
   23    H    PHE   3           H        PHE   3  -5.369  12.258   1.755
   24    HA   PHE   3           HA       PHE   3  -6.006  11.647  -1.013
   25   1HB   PHE   3          1HB       PHE   3  -3.761  11.090   0.836
   26   2HB   PHE   3          2HB       PHE   3  -4.098   9.858  -0.363
   27    HD1  PHE   3           HD1      PHE   3  -4.265  10.643  -2.822
   28    HD2  PHE   3           HD2      PHE   3  -2.467  12.926   0.287
   29    HE1  PHE   3           HE1      PHE   3  -3.018  11.942  -4.500
   30    HE2  PHE   3           HE2      PHE   3  -1.218  14.227  -1.383
   31    HZ   PHE   3           HZ       PHE   3  -1.492  13.737  -3.781
   32    H    ALA   4           H        ALA   4  -6.022   9.261  -1.616
   33    HA   ALA   4           HA       ALA   4  -7.206   7.488   0.355
   34   1HB   ALA   4          1HB       ALA   4  -9.222   7.053  -0.936
   35   2HB   ALA   4          2HB       ALA   4  -8.742   8.265  -2.124
   36   3HB   ALA   4          3HB       ALA   4  -9.136   8.753  -0.475
   37    H    CYS   5           H        CYS   5  -6.831   5.358  -0.081
   38    HA   CYS   5           HA       CYS   5  -4.954   4.726  -2.143
   39   1HB   CYS   5          1HB       CYS   5  -5.162   3.643   0.186
   40   2HB   CYS   5          2HB       CYS   5  -6.464   2.692  -0.513
   41    HG   CYS   5           HG       CYS   5  -3.623   2.535  -1.749
   42    HA   PRO   6           HA       PRO   6  -7.844   3.671  -5.347
   43   1HB   PRO   6          1HB       PRO   6  -6.187   2.256  -6.958
   44   2HB   PRO   6          2HB       PRO   6  -6.106   4.015  -6.812
   45   1HG   PRO   6          1HG       PRO   6  -4.408   1.926  -5.507
   46   2HG   PRO   6          2HG       PRO   6  -3.922   3.464  -6.241
   47   1HD   PRO   6          1HD       PRO   6  -4.195   3.125  -3.561
   48   2HD   PRO   6          2HD       PRO   6  -4.482   4.678  -4.372
   49    H    GLU   7           H        GLU   7  -6.209   1.320  -3.395
   50    HA   GLU   7           HA       GLU   7  -7.874  -0.853  -4.455
   51   1HB   GLU   7          1HB       GLU   7  -5.316  -1.049  -4.187
   52   2HB   GLU   7          2HB       GLU   7  -5.641  -1.179  -2.465
   53   1HG   GLU   7          1HG       GLU   7  -6.592  -3.244  -2.656
   54   2HG   GLU   7          2HG       GLU   7  -7.123  -2.969  -4.314
   55    H    CYS   8           H        CYS   8  -6.880   0.637  -1.366
   56    HA   CYS   8           HA       CYS   8  -9.267  -0.556  -0.109
   57   1HB   CYS   8          1HB       CYS   8  -8.115  -0.462   2.003
   58   2HB   CYS   8          2HB       CYS   8  -7.076  -1.260   0.834
   59    HG   CYS   8           HG       CYS   8  -5.417   0.566   1.022
   60    HA   PRO   9           HA       PRO   9 -10.685   3.515   0.876
   61   1HB   PRO   9          1HB       PRO   9 -12.197   3.065   3.030
   62   2HB   PRO   9          2HB       PRO   9 -12.565   2.311   1.476
   63   1HG   PRO   9          1HG       PRO   9 -11.345   1.127   3.915
   64   2HG   PRO   9          2HG       PRO   9 -12.395   0.375   2.704
   65   1HD   PRO   9          1HD       PRO   9  -9.571   0.204   2.851
   66   2HD   PRO   9          2HD       PRO   9 -10.604  -0.359   1.526
   67    H    LYS  10           H        LYS  10  -7.955   3.144   1.965
   68    HA   LYS  10           HA       LYS  10  -8.045   4.263   4.631
   69   1HB   LYS  10          1HB       LYS  10  -5.655   3.790   2.835
   70   2HB   LYS  10          2HB       LYS  10  -5.597   4.236   4.517
   71   1HG   LYS  10          1HG       LYS  10  -7.088   1.780   3.791
   72   2HG   LYS  10          2HG       LYS  10  -5.324   1.741   3.751
   73   1HD   LYS  10          1HD       LYS  10  -5.351   2.654   6.092
   74   2HD   LYS  10          2HD       LYS  10  -7.098   2.401   6.097
   75   1HE   LYS  10          1HE       LYS  10  -6.768   0.021   5.699
   76   2HE   LYS  10          2HE       LYS  10  -5.022   0.260   5.633
   77   1HZ   LYS  10          1HZ       LYS  10  -5.716  -0.571   7.788
   78   2HZ   LYS  10          2HZ       LYS  10  -6.748   0.752   8.002
   79   3HZ   LYS  10          3HZ       LYS  10  -5.074   0.987   7.940
   80    H    ARG  11           H        ARG  11  -7.008   6.267   5.196
   81    HA   ARG  11           HA       ARG  11  -6.722   8.251   3.071
   82   1HB   ARG  11          1HB       ARG  11  -8.173   9.859   4.303
   83   2HB   ARG  11          2HB       ARG  11  -9.049   8.482   3.651
   84   1HG   ARG  11          1HG       ARG  11  -8.457   7.589   6.145
   85   2HG   ARG  11          2HG       ARG  11  -8.646   9.320   6.431
   86   1HD   ARG  11          1HD       ARG  11 -10.827   9.181   5.188
   87   2HD   ARG  11          2HD       ARG  11 -10.642   7.429   5.203
   88    HE   ARG  11           HE       ARG  11 -10.471   8.670   7.803
   89   1HH1  ARG  11          1HH1      ARG  11 -12.614   7.257   5.418
   90   2HH1  ARG  11          2HH1      ARG  11 -13.840   6.866   6.573
   91   1HH2  ARG  11          1HH2      ARG  11 -12.093   8.154   9.318
   92   2HH2  ARG  11          2HH2      ARG  11 -13.546   7.374   8.789
   93    H    PHE  12           H        PHE  12  -5.084   9.642   3.458
   94    HA   PHE  12           HA       PHE  12  -4.091   9.884   6.217
   95   1HB   PHE  12          1HB       PHE  12  -2.307   9.490   3.841
   96   2HB   PHE  12          2HB       PHE  12  -1.813   9.557   5.518
   97    HD1  PHE  12           HD1      PHE  12  -4.241   7.623   3.445
   98    HD2  PHE  12           HD2      PHE  12  -1.222   7.526   6.440
   99    HE1  PHE  12           HE1      PHE  12  -4.443   5.193   3.555
  100    HE2  PHE  12           HE2      PHE  12  -1.426   5.072   6.557
  101    HZ   PHE  12           HZ       PHE  12  -3.042   3.904   5.097
  102    H    MET  13           H        MET  13  -2.724  11.723   6.619
  103    HA   MET  13           HA       MET  13  -3.579  14.054   5.110
  104   1HB   MET  13          1HB       MET  13  -2.068  13.687   7.693
  105   2HB   MET  13          2HB       MET  13  -2.246  15.263   6.935
  106   1HG   MET  13          1HG       MET  13  -4.818  14.161   7.022
  107   2HG   MET  13          2HG       MET  13  -4.086  13.816   8.588
  108   1HE   MET  13          1HE       MET  13  -3.788  17.113  10.338
  109   2HE   MET  13          2HE       MET  13  -2.504  16.070   9.725
  110   3HE   MET  13          3HE       MET  13  -3.952  15.359  10.440
  111    H    ARG  14           H        ARG  14  -0.745  12.063   5.469
  112    HA   ARG  14           HA       ARG  14   0.922  14.028   4.071
  113   1HB   ARG  14          1HB       ARG  14   1.520  11.553   5.663
  114   2HB   ARG  14          2HB       ARG  14   2.704  12.176   4.527
  115   1HG   ARG  14          1HG       ARG  14   3.165  12.971   6.765
  116   2HG   ARG  14          2HG       ARG  14   2.728  14.313   5.708
  117   1HD   ARG  14          1HD       ARG  14   1.669  14.521   7.902
  118   2HD   ARG  14          2HD       ARG  14   0.470  14.318   6.623
  119    HE   ARG  14           HE       ARG  14  -0.143  12.308   7.548
  120   1HH1  ARG  14          1HH1      ARG  14   2.853  13.360   9.029
  121   2HH1  ARG  14          2HH1      ARG  14   2.806  12.151  10.267
  122   1HH2  ARG  14          1HH2      ARG  14  -0.197  10.722   9.183
  123   2HH2  ARG  14          2HH2      ARG  14   1.075  10.654  10.355
  124    H    SER  15           H        SER  15   2.328  13.228   2.325
  125    HA   SER  15           HA       SER  15   0.802  11.507   0.523
  126   1HB   SER  15          1HB       SER  15   1.502  12.809  -1.121
  127   2HB   SER  15          2HB       SER  15   2.112  13.902   0.116
  128    HG   SER  15           HG       SER  15   4.120  13.201  -0.225
  129    H    ASP  16           H        ASP  16   4.027  11.781   1.964
  130    HA   ASP  16           HA       ASP  16   5.022   9.423   0.670
  131   1HB   ASP  16          1HB       ASP  16   7.028   9.752   1.937
  132   2HB   ASP  16          2HB       ASP  16   6.467  11.336   1.423
  133    H    HIS  17           H        HIS  17   3.615  10.159   3.826
  134    HA   HIS  17           HA       HIS  17   4.162   7.635   5.013
  135   1HB   HIS  17          1HB       HIS  17   2.190   9.827   5.628
  136   2HB   HIS  17          2HB       HIS  17   2.199   8.319   6.528
  137    HD1  HIS  17           HD1      HIS  17   2.782   9.886   8.603
  138    HD2  HIS  17           HD2      HIS  17   5.717   9.582   5.682
  139    HE1  HIS  17           HE1      HIS  17   4.877  10.767   9.664
  140    HE2  HIS  17           HE2      HIS  17   6.625  10.652   7.855
  141    H    LEU  18           H        LEU  18   1.338   8.970   3.318
  142    HA   LEU  18           HA       LEU  18  -0.354   6.759   3.591
  143   1HB   LEU  18          1HB       LEU  18  -0.953   9.049   2.755
  144   2HB   LEU  18          2HB       LEU  18  -0.222   8.624   1.230
  145    HG   LEU  18           HG       LEU  18  -2.393   6.914   2.359
  146   1HD1  LEU  18          1HD1      LEU  18  -3.475   8.968   2.485
  147   2HD1  LEU  18          2HD1      LEU  18  -3.927   8.353   0.896
  148   3HD1  LEU  18          3HD1      LEU  18  -2.670   9.583   1.045
  149   1HD2  LEU  18          1HD2      LEU  18  -1.813   5.834   0.498
  150   2HD2  LEU  18          2HD2      LEU  18  -0.978   7.237  -0.175
  151   3HD2  LEU  18          3HD2      LEU  18  -2.729   7.096  -0.330
  152    H    THR  19           H        THR  19   1.949   7.617   1.017
  153    HA   THR  19           HA       THR  19   1.456   5.383  -0.590
  154    HB   THR  19           HB       THR  19   3.972   7.046  -0.318
  155    HG1  THR  19           HG1      THR  19   2.639   8.417  -1.206
  156   1HG2  THR  19          1HG2      THR  19   4.418   6.307  -2.665
  157   2HG2  THR  19          2HG2      THR  19   3.194   5.058  -2.433
  158   3HG2  THR  19          3HG2      THR  19   4.647   5.068  -1.433
  159    H    LEU  20           H        LEU  20   3.469   5.855   2.243
  160    HA   LEU  20           HA       LEU  20   5.067   3.547   2.077
  161   1HB   LEU  20          1HB       LEU  20   5.124   5.564   3.730
  162   2HB   LEU  20          2HB       LEU  20   4.000   4.615   4.678
  163    HG   LEU  20           HG       LEU  20   6.237   4.323   5.527
  164   1HD1  LEU  20          1HD1      LEU  20   6.261   2.015   5.722
  165   2HD1  LEU  20          2HD1      LEU  20   5.681   1.769   4.075
  166   3HD1  LEU  20          3HD1      LEU  20   4.579   2.363   5.318
  167   1HD2  LEU  20          1HD2      LEU  20   7.012   3.232   2.829
  168   2HD2  LEU  20          2HD2      LEU  20   8.054   3.463   4.234
  169   3HD2  LEU  20          3HD2      LEU  20   7.394   4.861   3.387
  170    H    HIS  21           H        HIS  21   1.852   4.120   3.416
  171    HA   HIS  21           HA       HIS  21   1.338   1.638   4.557
  172   1HB   HIS  21          1HB       HIS  21  -0.608   2.648   5.025
  173   2HB   HIS  21          2HB       HIS  21  -0.067   4.030   4.116
  174    HD1  HIS  21           HD1      HIS  21  -1.992   4.776   2.714
  175    HD2  HIS  21           HD2      HIS  21  -1.622   0.657   2.756
  176    HE1  HIS  21           HE1      HIS  21  -3.845   3.863   1.266
  177    H    ILE  22           H        ILE  22   0.565   2.814   1.321
  178    HA   ILE  22           HA       ILE  22  -0.771   0.606   0.367
  179    HB   ILE  22           HB       ILE  22   0.949   2.352  -1.385
  180   1HG1  ILE  22          1HG1      ILE  22  -1.910   2.980  -0.867
  181   2HG1  ILE  22          2HG1      ILE  22  -0.779   3.399   0.397
  182   1HG2  ILE  22          1HG2      ILE  22  -0.346   0.234  -2.209
  183   2HG2  ILE  22          2HG2      ILE  22  -0.445   1.734  -3.129
  184   3HG2  ILE  22          3HG2      ILE  22  -1.761   1.278  -2.044
  185   1HD1  ILE  22          1HD1      ILE  22  -1.334   4.706  -2.090
  186   2HD1  ILE  22          2HD1      ILE  22   0.383   4.335  -1.936
  187   3HD1  ILE  22          3HD1      ILE  22  -0.434   5.277  -0.688
  188    H    LEU  23           H        LEU  23   2.575   0.739   1.081
  189    HA   LEU  23           HA       LEU  23   3.596  -1.085  -0.799
  190   1HB   LEU  23          1HB       LEU  23   4.423  -0.026   1.809
  191   2HB   LEU  23          2HB       LEU  23   5.002  -1.649   1.494
  192    HG   LEU  23           HG       LEU  23   5.821  -0.672  -0.767
  193   1HD1  LEU  23          1HD1      LEU  23   4.632   1.467  -0.550
  194   2HD1  LEU  23          2HD1      LEU  23   6.374   1.687  -0.717
  195   3HD1  LEU  23          3HD1      LEU  23   5.611   1.855   0.864
  196   1HD2  LEU  23          1HD2      LEU  23   7.236  -1.452   1.120
  197   2HD2  LEU  23          2HD2      LEU  23   7.187   0.183   1.780
  198   3HD2  LEU  23          3HD2      LEU  23   7.939  -0.113   0.214
  199    H    LEU  24           H        LEU  24   1.576  -1.517   2.015
  200    HA   LEU  24           HA       LEU  24   1.975  -4.208   2.624
  201   1HB   LEU  24          1HB       LEU  24  -0.719  -2.846   2.614
  202   2HB   LEU  24          2HB       LEU  24  -0.221  -4.204   3.599
  203    HG   LEU  24           HG       LEU  24   1.330  -1.715   3.975
  204   1HD1  LEU  24          1HD1      LEU  24  -0.315  -0.543   5.185
  205   2HD1  LEU  24          2HD1      LEU  24  -1.427  -1.911   5.161
  206   3HD1  LEU  24          3HD1      LEU  24  -1.104  -1.011   3.677
  207   1HD2  LEU  24          1HD2      LEU  24   0.066  -3.686   5.876
  208   2HD2  LEU  24          2HD2      LEU  24   1.202  -2.406   6.303
  209   3HD2  LEU  24          3HD2      LEU  24   1.727  -3.748   5.287
  210    H    HIS  25           H        HIS  25  -0.232  -2.725   0.273
  211    HA   HIS  25           HA       HIS  25  -1.496  -5.018  -0.662
  212   1HB   HIS  25          1HB       HIS  25  -0.820  -2.504  -2.207
  213   2HB   HIS  25          2HB       HIS  25  -2.015  -3.706  -2.684
  214    HD1  HIS  25           HD1      HIS  25  -3.987  -4.029  -0.696
  215    HD2  HIS  25           HD2      HIS  25  -1.886  -0.448  -0.863
  216    HE1  HIS  25           HE1      HIS  25  -5.371  -2.329   0.566
  217    H    GLU  26           H        GLU  26   1.590  -3.586  -1.638
  218    HA   GLU  26           HA       GLU  26   2.044  -5.206  -3.899
  219   1HB   GLU  26          1HB       GLU  26   3.302  -3.068  -2.932
  220   2HB   GLU  26          2HB       GLU  26   4.355  -4.299  -2.248
  221   1HG   GLU  26          1HG       GLU  26   5.342  -3.700  -4.279
  222   2HG   GLU  26          2HG       GLU  26   4.543  -5.239  -4.593
  223    H    ASN  27           H        ASN  27   3.548  -5.484  -0.660
  224    HA   ASN  27           HA       ASN  27   3.113  -8.257  -0.418
  225   1HB   ASN  27          1HB       ASN  27   5.446  -9.061  -0.703
  226   2HB   ASN  27          2HB       ASN  27   4.733  -8.495  -2.210
  227   1HD2  ASN  27          1HD2      ASN  27   5.588  -6.726  -3.233
  228   2HD2  ASN  27          2HD2      ASN  27   7.048  -5.953  -2.727
  229    H    LYS  28           H        LYS  28   4.380  -9.218   1.414
  230    HA   LYS  28           HA       LYS  28   4.844  -7.155   3.455
  231   1HB   LYS  28          1HB       LYS  28   3.859  -9.971   3.535
  232   2HB   LYS  28          2HB       LYS  28   4.718  -9.353   4.939
  233   1HG   LYS  28          1HG       LYS  28   3.110  -7.470   5.033
  234   2HG   LYS  28          2HG       LYS  28   2.212  -8.224   3.715
  235   1HD   LYS  28          1HD       LYS  28   1.656 -10.103   5.040
  236   2HD   LYS  28          2HD       LYS  28   2.827  -9.663   6.284
  237   1HE   LYS  28          1HE       LYS  28   1.497  -7.646   6.780
  238   2HE   LYS  28          2HE       LYS  28   0.308  -8.158   5.584
  239   1HZ   LYS  28          1HZ       LYS  28   1.050  -9.668   8.033
  240   2HZ   LYS  28          2HZ       LYS  28  -0.101 -10.148   6.891
  241   3HZ   LYS  28          3HZ       LYS  28  -0.364  -8.762   7.825
  242    H    LYS  29           H        LYS  29   6.122 -10.372   2.554
  243    HA   LYS  29           HA       LYS  29   8.838  -9.397   2.820
  244   1HB   LYS  29          1HB       LYS  29   9.438 -11.322   4.361
  245   2HB   LYS  29          2HB       LYS  29   8.550  -9.994   5.090
  246   1HG   LYS  29          1HG       LYS  29   6.474 -11.305   4.896
  247   2HG   LYS  29          2HG       LYS  29   7.409 -12.646   4.232
  248   1HD   LYS  29          1HD       LYS  29   7.276 -13.228   6.462
  249   2HD   LYS  29          2HD       LYS  29   8.822 -12.379   6.406
  250   1HE   LYS  29          1HE       LYS  29   7.684 -10.322   7.159
  251   2HE   LYS  29          2HE       LYS  29   6.174 -11.225   7.279
  252   1HZ   LYS  29          1HZ       LYS  29   7.196 -12.646   8.944
  253   2HZ   LYS  29          2HZ       LYS  29   7.267 -11.026   9.425
  254   3HZ   LYS  29          3HZ       LYS  29   8.651 -11.789   8.822
  Start of MODEL    9
    1    H    TYR   1           H        TYR   1  -7.763  14.219   6.550
    2    HA   TYR   1           HA       TYR   1  -6.764  11.848   5.130
    3   1HB   TYR   1          1HB       TYR   1  -9.539  12.862   5.816
    4   2HB   TYR   1          2HB       TYR   1  -9.183  11.372   4.952
    5    HD1  TYR   1           HD1      TYR   1  -6.842  10.448   6.641
    6    HD2  TYR   1           HD2      TYR   1 -10.652  12.009   7.707
    7    HE1  TYR   1           HE1      TYR   1  -6.732   9.237   8.777
    8    HE2  TYR   1           HE2      TYR   1 -10.554  10.805   9.847
    9    HH   TYR   1           HH       TYR   1  -9.023   8.422  10.551
   10    H    LYS   2           H        LYS   2  -5.659  13.373   3.639
   11    HA   LYS   2           HA       LYS   2  -7.439  14.898   1.894
   12   1HB   LYS   2          1HB       LYS   2  -5.406  15.842   0.931
   13   2HB   LYS   2          2HB       LYS   2  -5.394  15.996   2.681
   14   1HG   LYS   2          1HG       LYS   2  -3.795  14.266   2.915
   15   2HG   LYS   2          2HG       LYS   2  -3.976  13.778   1.230
   16   1HD   LYS   2          1HD       LYS   2  -3.203  16.197   0.705
   17   2HD   LYS   2          2HD       LYS   2  -2.608  16.188   2.367
   18   1HE   LYS   2          1HE       LYS   2  -1.633  13.829   1.489
   19   2HE   LYS   2          2HE       LYS   2  -1.625  14.750  -0.014
   20   1HZ   LYS   2          1HZ       LYS   2  -0.315  15.551   2.529
   21   2HZ   LYS   2          2HZ       LYS   2  -0.335  16.474   1.111
   22   3HZ   LYS   2          3HZ       LYS   2   0.467  14.986   1.139
   23    H    PHE   3           H        PHE   3  -5.326  12.071   1.812
   24    HA   PHE   3           HA       PHE   3  -5.993  11.668  -1.018
   25   1HB   PHE   3          1HB       PHE   3  -3.680  11.008   0.674
   26   2HB   PHE   3          2HB       PHE   3  -4.181   9.723  -0.408
   27    HD1  PHE   3           HD1      PHE   3  -4.515  10.379  -2.899
   28    HD2  PHE   3           HD2      PHE   3  -2.296  12.683  -0.092
   29    HE1  PHE   3           HE1      PHE   3  -3.324  11.479  -4.749
   30    HE2  PHE   3           HE2      PHE   3  -1.102  13.788  -1.937
   31    HZ   PHE   3           HZ       PHE   3  -1.616  13.188  -4.270
   32    H    ALA   4           H        ALA   4  -6.082   9.248  -1.613
   33    HA   ALA   4           HA       ALA   4  -7.354   7.549   0.362
   34   1HB   ALA   4          1HB       ALA   4  -9.258   8.818  -0.405
   35   2HB   ALA   4          2HB       ALA   4  -9.363   7.174  -1.033
   36   3HB   ALA   4          3HB       ALA   4  -8.843   8.488  -2.087
   37    H    CYS   5           H        CYS   5  -6.823   5.462   0.011
   38    HA   CYS   5           HA       CYS   5  -5.054   4.761  -2.081
   39   1HB   CYS   5          1HB       CYS   5  -5.361   3.684   0.268
   40   2HB   CYS   5          2HB       CYS   5  -6.600   2.717  -0.515
   41    HG   CYS   5           HG       CYS   5  -4.869   1.374  -1.647
   42    HA   PRO   6           HA       PRO   6  -7.950   3.754  -5.290
   43   1HB   PRO   6          1HB       PRO   6  -6.308   2.362  -6.922
   44   2HB   PRO   6          2HB       PRO   6  -6.191   4.115  -6.730
   45   1HG   PRO   6          1HG       PRO   6  -4.547   1.957  -5.465
   46   2HG   PRO   6          2HG       PRO   6  -4.020   3.499  -6.166
   47   1HD   PRO   6          1HD       PRO   6  -4.323   3.108  -3.492
   48   2HD   PRO   6          2HD       PRO   6  -4.554   4.686  -4.274
   49    H    GLU   7           H        GLU   7  -6.260   1.333  -3.439
   50    HA   GLU   7           HA       GLU   7  -7.985  -0.789  -4.495
   51   1HB   GLU   7          1HB       GLU   7  -5.406  -0.985  -4.260
   52   2HB   GLU   7          2HB       GLU   7  -5.740  -1.232  -2.552
   53   1HG   GLU   7          1HG       GLU   7  -7.415  -2.902  -4.215
   54   2HG   GLU   7          2HG       GLU   7  -5.703  -3.157  -4.546
   55    H    CYS   8           H        CYS   8  -6.930   0.625  -1.386
   56    HA   CYS   8           HA       CYS   8  -9.287  -0.622  -0.127
   57   1HB   CYS   8          1HB       CYS   8  -8.119  -0.583   1.966
   58   2HB   CYS   8          2HB       CYS   8  -7.057  -1.301   0.768
   59    HG   CYS   8           HG       CYS   8  -6.625   1.680   1.459
   60    HA   PRO   9           HA       PRO   9 -10.763   3.396   0.964
   61   1HB   PRO   9          1HB       PRO   9 -12.237   2.876   3.125
   62   2HB   PRO   9          2HB       PRO   9 -12.607   2.132   1.566
   63   1HG   PRO   9          1HG       PRO   9 -11.315   0.948   3.969
   64   2HG   PRO   9          2HG       PRO   9 -12.376   0.189   2.773
   65   1HD   PRO   9          1HD       PRO   9  -9.549   0.070   2.855
   66   2HD   PRO   9          2HD       PRO   9 -10.596  -0.487   1.539
   67    H    LYS  10           H        LYS  10  -8.033   3.196   1.898
   68    HA   LYS  10           HA       LYS  10  -8.085   4.236   4.616
   69   1HB   LYS  10          1HB       LYS  10  -5.736   3.702   2.783
   70   2HB   LYS  10          2HB       LYS  10  -5.621   4.228   4.438
   71   1HG   LYS  10          1HG       LYS  10  -7.120   1.735   3.828
   72   2HG   LYS  10          2HG       LYS  10  -5.356   1.713   3.838
   73   1HD   LYS  10          1HD       LYS  10  -5.232   2.199   6.096
   74   2HD   LYS  10          2HD       LYS  10  -6.837   2.934   6.130
   75   1HE   LYS  10          1HE       LYS  10  -7.650   0.530   5.548
   76   2HE   LYS  10          2HE       LYS  10  -6.070   0.042   6.159
   77   1HZ   LYS  10          1HZ       LYS  10  -7.739  -0.032   7.895
   78   2HZ   LYS  10          2HZ       LYS  10  -8.104   1.603   7.662
   79   3HZ   LYS  10          3HZ       LYS  10  -6.584   1.152   8.250
   80    H    ARG  11           H        ARG  11  -6.989   6.226   5.153
   81    HA   ARG  11           HA       ARG  11  -6.718   8.207   3.028
   82   1HB   ARG  11          1HB       ARG  11  -8.094   9.795   4.611
   83   2HB   ARG  11          2HB       ARG  11  -8.913   8.766   3.447
   84   1HG   ARG  11          1HG       ARG  11  -9.141   7.082   5.353
   85   2HG   ARG  11          2HG       ARG  11  -8.680   8.412   6.416
   86   1HD   ARG  11          1HD       ARG  11 -11.028   8.423   6.405
   87   2HD   ARG  11          2HD       ARG  11 -10.557   9.732   5.321
   88    HE   ARG  11           HE       ARG  11 -10.900   7.414   3.794
   89   1HH1  ARG  11          1HH1      ARG  11 -12.834   9.631   5.692
   90   2HH1  ARG  11          2HH1      ARG  11 -14.270   9.369   4.760
   91   1HH2  ARG  11          1HH2      ARG  11 -12.793   7.074   2.570
   92   2HH2  ARG  11          2HH2      ARG  11 -14.247   7.917   2.988
   93    H    PHE  12           H        PHE  12  -5.090   9.616   3.421
   94    HA   PHE  12           HA       PHE  12  -4.083   9.838   6.174
   95   1HB   PHE  12          1HB       PHE  12  -2.307   9.437   3.793
   96   2HB   PHE  12          2HB       PHE  12  -1.809   9.493   5.471
   97    HD1  PHE  12           HD1      PHE  12  -4.219   7.596   3.347
   98    HD2  PHE  12           HD2      PHE  12  -1.300   7.458   6.438
   99    HE1  PHE  12           HE1      PHE  12  -4.469   5.170   3.458
  100    HE2  PHE  12           HE2      PHE  12  -1.551   5.008   6.556
  101    HZ   PHE  12           HZ       PHE  12  -3.140   3.864   5.051
  102    H    MET  13           H        MET  13  -2.762  11.681   6.608
  103    HA   MET  13           HA       MET  13  -3.638  14.023   5.161
  104   1HB   MET  13          1HB       MET  13  -1.874  13.689   7.593
  105   2HB   MET  13          2HB       MET  13  -2.326  15.246   6.914
  106   1HG   MET  13          1HG       MET  13  -4.132  15.221   8.182
  107   2HG   MET  13          2HG       MET  13  -4.722  13.845   7.253
  108   1HE   MET  13          1HE       MET  13  -3.107  15.140  10.479
  109   2HE   MET  13          2HE       MET  13  -3.727  13.919  11.592
  110   3HE   MET  13          3HE       MET  13  -4.845  14.872  10.615
  111    H    ARG  14           H        ARG  14  -0.716  12.098   5.415
  112    HA   ARG  14           HA       ARG  14   0.778  14.082   3.853
  113   1HB   ARG  14          1HB       ARG  14   1.573  11.771   5.576
  114   2HB   ARG  14          2HB       ARG  14   2.645  12.255   4.274
  115   1HG   ARG  14          1HG       ARG  14   3.290  13.297   6.369
  116   2HG   ARG  14          2HG       ARG  14   2.783  14.505   5.189
  117   1HD   ARG  14          1HD       ARG  14   1.800  15.163   7.223
  118   2HD   ARG  14          2HD       ARG  14   0.499  14.417   6.293
  119    HE   ARG  14           HE       ARG  14   0.419  12.686   7.817
  120   1HH1  ARG  14          1HH1      ARG  14   3.206  14.702   8.484
  121   2HH1  ARG  14          2HH1      ARG  14   3.506  13.987  10.030
  122   1HH2  ARG  14          1HH2      ARG  14   0.822  11.747   9.855
  123   2HH2  ARG  14          2HH2      ARG  14   2.155  12.308  10.810
  124    H    SER  15           H        SER  15   2.182  13.233   2.102
  125    HA   SER  15           HA       SER  15   0.634  11.432   0.406
  126   1HB   SER  15          1HB       SER  15   1.112  12.964  -1.105
  127   2HB   SER  15          2HB       SER  15   2.285  13.750  -0.054
  128    HG   SER  15           HG       SER  15   2.668  11.899  -2.086
  129    H    ASP  16           H        ASP  16   3.903  11.802   1.731
  130    HA   ASP  16           HA       ASP  16   4.919   9.419   0.515
  131   1HB   ASP  16          1HB       ASP  16   6.105  11.580   1.649
  132   2HB   ASP  16          2HB       ASP  16   6.243  10.413   2.958
  133    H    HIS  17           H        HIS  17   3.709  10.262   3.738
  134    HA   HIS  17           HA       HIS  17   4.202   7.798   4.995
  135   1HB   HIS  17          1HB       HIS  17   2.179   9.977   5.498
  136   2HB   HIS  17          2HB       HIS  17   2.261   8.534   6.497
  137    HD1  HIS  17           HD1      HIS  17   2.729  10.905   8.083
  138    HD2  HIS  17           HD2      HIS  17   5.818   9.209   5.883
  139    HE1  HIS  17           HE1      HIS  17   4.848  11.740   9.148
  140    HE2  HIS  17           HE2      HIS  17   6.704  10.636   7.850
  141    H    LEU  18           H        LEU  18   1.347   9.008   3.257
  142    HA   LEU  18           HA       LEU  18  -0.337   6.817   3.654
  143   1HB   LEU  18          1HB       LEU  18  -0.946   9.032   2.680
  144   2HB   LEU  18          2HB       LEU  18  -0.171   8.547   1.194
  145    HG   LEU  18           HG       LEU  18  -2.347   6.853   2.332
  146   1HD1  LEU  18          1HD1      LEU  18  -2.655   9.454   0.879
  147   2HD1  LEU  18          2HD1      LEU  18  -3.410   8.945   2.388
  148   3HD1  LEU  18          3HD1      LEU  18  -3.905   8.210   0.863
  149   1HD2  LEU  18          1HD2      LEU  18  -2.612   7.008  -0.389
  150   2HD2  LEU  18          2HD2      LEU  18  -1.779   5.729   0.500
  151   3HD2  LEU  18          3HD2      LEU  18  -0.865   7.088  -0.159
  152    H    THR  19           H        THR  19   1.982   7.494   1.046
  153    HA   THR  19           HA       THR  19   1.486   5.183  -0.441
  154    HB   THR  19           HB       THR  19   4.066   6.756  -0.228
  155    HG1  THR  19           HG1      THR  19   1.956   6.991  -2.110
  156   1HG2  THR  19          1HG2      THR  19   4.622   4.763  -1.353
  157   2HG2  THR  19          2HG2      THR  19   4.374   5.982  -2.605
  158   3HG2  THR  19          3HG2      THR  19   3.123   4.781  -2.283
  159    H    LEU  20           H        LEU  20   3.490   5.758   2.394
  160    HA   LEU  20           HA       LEU  20   5.055   3.426   2.321
  161   1HB   LEU  20          1HB       LEU  20   5.323   5.397   3.877
  162   2HB   LEU  20          2HB       LEU  20   3.979   4.764   4.807
  163    HG   LEU  20           HG       LEU  20   6.064   2.771   4.370
  164   1HD1  LEU  20          1HD1      LEU  20   6.767   5.269   5.906
  165   2HD1  LEU  20          2HD1      LEU  20   7.526   4.713   4.414
  166   3HD1  LEU  20          3HD1      LEU  20   7.696   3.770   5.895
  167   1HD2  LEU  20          1HD2      LEU  20   4.202   2.556   5.962
  168   2HD2  LEU  20          2HD2      LEU  20   4.836   3.928   6.871
  169   3HD2  LEU  20          3HD2      LEU  20   5.774   2.439   6.755
  170    H    HIS  21           H        HIS  21   1.781   4.049   3.442
  171    HA   HIS  21           HA       HIS  21   1.262   1.602   4.713
  172   1HB   HIS  21          1HB       HIS  21  -0.697   2.634   5.111
  173   2HB   HIS  21          2HB       HIS  21  -0.141   3.985   4.163
  174    HD1  HIS  21           HD1      HIS  21  -2.041   4.669   2.688
  175    HD2  HIS  21           HD2      HIS  21  -1.639   0.557   2.880
  176    HE1  HIS  21           HE1      HIS  21  -3.851   3.692   1.220
  177    H    ILE  22           H        ILE  22   0.549   2.710   1.445
  178    HA   ILE  22           HA       ILE  22  -0.710   0.450   0.495
  179    HB   ILE  22           HB       ILE  22   1.011   2.213  -1.239
  180   1HG1  ILE  22          1HG1      ILE  22  -1.872   2.791  -0.800
  181   2HG1  ILE  22          2HG1      ILE  22  -0.776   3.259   0.479
  182   1HG2  ILE  22          1HG2      ILE  22  -0.183   1.432  -3.008
  183   2HG2  ILE  22          2HG2      ILE  22  -1.652   1.215  -2.053
  184   3HG2  ILE  22          3HG2      ILE  22  -0.356   0.022  -1.962
  185   1HD1  ILE  22          1HD1      ILE  22  -0.403   5.113  -0.635
  186   2HD1  ILE  22          2HD1      ILE  22  -1.317   4.524  -2.022
  187   3HD1  ILE  22          3HD1      ILE  22   0.402   4.155  -1.876
  188    H    LEU  23           H        LEU  23   2.578   0.655   1.358
  189    HA   LEU  23           HA       LEU  23   3.810  -1.054  -0.465
  190   1HB   LEU  23          1HB       LEU  23   4.256  -0.610   2.481
  191   2HB   LEU  23          2HB       LEU  23   5.251  -1.712   1.550
  192    HG   LEU  23           HG       LEU  23   4.939   1.215   0.885
  193   1HD1  LEU  23          1HD1      LEU  23   5.968   0.921   3.097
  194   2HD1  LEU  23          2HD1      LEU  23   7.104   1.559   1.909
  195   3HD1  LEU  23          3HD1      LEU  23   7.180  -0.140   2.378
  196   1HD2  LEU  23          1HD2      LEU  23   7.005   0.796  -0.426
  197   2HD2  LEU  23          2HD2      LEU  23   5.605  -0.100  -1.014
  198   3HD2  LEU  23          3HD2      LEU  23   6.842  -0.922  -0.065
  199    H    LEU  24           H        LEU  24   1.656  -1.735   2.256
  200    HA   LEU  24           HA       LEU  24   2.051  -4.493   2.503
  201   1HB   LEU  24          1HB       LEU  24  -0.398  -4.539   3.238
  202   2HB   LEU  24          2HB       LEU  24   0.721  -3.565   4.169
  203    HG   LEU  24           HG       LEU  24  -0.251  -1.732   2.382
  204   1HD1  LEU  24          1HD1      LEU  24  -2.601  -1.942   2.191
  205   2HD1  LEU  24          2HD1      LEU  24  -2.617  -3.392   3.199
  206   3HD1  LEU  24          3HD1      LEU  24  -1.895  -3.444   1.591
  207   1HD2  LEU  24          1HD2      LEU  24  -1.527  -2.359   5.031
  208   2HD2  LEU  24          2HD2      LEU  24  -1.366  -0.786   4.250
  209   3HD2  LEU  24          3HD2      LEU  24   0.063  -1.612   4.873
  210    H    HIS  25           H        HIS  25  -0.043  -2.701   0.274
  211    HA   HIS  25           HA       HIS  25  -1.374  -4.896  -0.863
  212   1HB   HIS  25          1HB       HIS  25  -0.691  -2.209  -2.074
  213   2HB   HIS  25          2HB       HIS  25  -1.803  -3.370  -2.790
  214    HD1  HIS  25           HD1      HIS  25  -3.770  -4.096  -0.800
  215    HD2  HIS  25           HD2      HIS  25  -2.028  -0.327  -0.748
  216    HE1  HIS  25           HE1      HIS  25  -5.335  -2.606   0.516
  217    H    GLU  26           H        GLU  26   1.656  -3.289  -1.775
  218    HA   GLU  26           HA       GLU  26   2.176  -4.640  -4.154
  219   1HB   GLU  26          1HB       GLU  26   3.635  -2.957  -2.326
  220   2HB   GLU  26          2HB       GLU  26   4.663  -4.275  -2.870
  221   1HG   GLU  26          1HG       GLU  26   3.112  -2.498  -4.734
  222   2HG   GLU  26          2HG       GLU  26   4.776  -2.188  -4.239
  223    H    ASN  27           H        ASN  27   2.926  -5.566  -0.814
  224    HA   ASN  27           HA       ASN  27   4.195  -8.033  -1.645
  225   1HB   ASN  27          1HB       ASN  27   4.612  -6.489   0.500
  226   2HB   ASN  27          2HB       ASN  27   3.415  -7.577   1.195
  227   1HD2  ASN  27          1HD2      ASN  27   6.638  -7.250  -0.004
  228   2HD2  ASN  27          2HD2      ASN  27   7.200  -8.811   0.475
  229    H    LYS  28           H        LYS  28   3.443 -10.142  -1.018
  230    HA   LYS  28           HA       LYS  28   0.522 -10.325  -1.087
  231   1HB   LYS  28          1HB       LYS  28   2.581 -11.746  -2.387
  232   2HB   LYS  28          2HB       LYS  28   1.842 -12.879  -1.262
  233   1HG   LYS  28          1HG       LYS  28   0.719 -13.092  -3.341
  234   2HG   LYS  28          2HG       LYS  28  -0.378 -12.271  -2.230
  235   1HD   LYS  28          1HD       LYS  28  -0.570 -10.590  -3.672
  236   2HD   LYS  28          2HD       LYS  28   1.162 -10.283  -3.539
  237   1HE   LYS  28          1HE       LYS  28   0.950 -10.652  -5.798
  238   2HE   LYS  28          2HE       LYS  28   1.347 -12.272  -5.226
  239   1HZ   LYS  28          1HZ       LYS  28  -0.501 -12.297  -6.787
  240   2HZ   LYS  28          2HZ       LYS  28  -1.394 -11.266  -5.787
  241   3HZ   LYS  28          3HZ       LYS  28  -1.003 -12.825  -5.259
  242    H    LYS  29           H        LYS  29  -0.494 -10.538   0.782
  243    HA   LYS  29           HA       LYS  29   0.890 -11.689   3.080
  244   1HB   LYS  29          1HB       LYS  29  -0.399  -9.513   3.210
  245   2HB   LYS  29          2HB       LYS  29  -1.867 -10.460   3.019
  246   1HG   LYS  29          1HG       LYS  29  -0.578 -11.744   5.078
  247   2HG   LYS  29          2HG       LYS  29  -0.199 -10.044   5.365
  248   1HD   LYS  29          1HD       LYS  29  -2.195 -10.296   6.509
  249   2HD   LYS  29          2HD       LYS  29  -2.741  -9.680   4.948
  250   1HE   LYS  29          1HE       LYS  29  -4.186 -11.436   5.233
  251   2HE   LYS  29          2HE       LYS  29  -2.886 -12.231   4.347
  252   1HZ   LYS  29          1HZ       LYS  29  -3.223 -12.264   7.300
  253   2HZ   LYS  29          2HZ       LYS  29  -2.003 -13.053   6.434
  254   3HZ   LYS  29          3HZ       LYS  29  -3.613 -13.536   6.254
  Start of MODEL   10
    1    H    TYR   1           H        TYR   1 -10.225  14.236   5.428
    2    HA   TYR   1           HA       TYR   1  -8.059  13.671   4.966
    3   1HB   TYR   1          1HB       TYR   1  -9.569  12.212   2.801
    4   2HB   TYR   1          2HB       TYR   1  -8.317  11.593   3.870
    5    HD1  TYR   1           HD1      TYR   1 -11.660  11.355   3.181
    6    HD2  TYR   1           HD2      TYR   1  -9.069  11.931   6.507
    7    HE1  TYR   1           HE1      TYR   1 -13.396  10.472   4.679
    8    HE2  TYR   1           HE2      TYR   1 -10.799  11.048   8.014
    9    HH   TYR   1           HH       TYR   1 -13.338   9.289   7.073
   10    H    LYS   2           H        LYS   2  -6.239  13.618   3.626
   11    HA   LYS   2           HA       LYS   2  -6.295  15.528   1.448
   12   1HB   LYS   2          1HB       LYS   2  -4.281  14.408   3.222
   13   2HB   LYS   2          2HB       LYS   2  -3.733  14.441   1.554
   14   1HG   LYS   2          1HG       LYS   2  -5.008  16.898   2.602
   15   2HG   LYS   2          2HG       LYS   2  -3.406  16.487   3.218
   16   1HD   LYS   2          1HD       LYS   2  -2.598  17.493   1.395
   17   2HD   LYS   2          2HD       LYS   2  -3.168  16.086   0.496
   18   1HE   LYS   2          1HE       LYS   2  -4.165  17.785  -0.685
   19   2HE   LYS   2          2HE       LYS   2  -5.435  17.399   0.476
   20   1HZ   LYS   2          1HZ       LYS   2  -3.460  19.604   0.748
   21   2HZ   LYS   2          2HZ       LYS   2  -4.688  19.239   1.852
   22   3HZ   LYS   2          3HZ       LYS   2  -5.081  19.783   0.300
   23    H    PHE   3           H        PHE   3  -5.232  12.131   1.831
   24    HA   PHE   3           HA       PHE   3  -5.737  11.755  -1.046
   25   1HB   PHE   3          1HB       PHE   3  -3.410  11.084   0.631
   26   2HB   PHE   3          2HB       PHE   3  -3.956   9.799  -0.427
   27    HD1  PHE   3           HD1      PHE   3  -3.896  10.078  -2.864
   28    HD2  PHE   3           HD2      PHE   3  -2.400  13.069  -0.229
   29    HE1  PHE   3           HE1      PHE   3  -2.696  11.127  -4.740
   30    HE2  PHE   3           HE2      PHE   3  -1.201  14.123  -2.099
   31    HZ   PHE   3           HZ       PHE   3  -1.348  13.153  -4.359
   32    H    ALA   4           H        ALA   4  -5.884   9.302  -1.543
   33    HA   ALA   4           HA       ALA   4  -7.126   7.698   0.525
   34   1HB   ALA   4          1HB       ALA   4  -9.021   9.023  -0.221
   35   2HB   ALA   4          2HB       ALA   4  -9.212   7.345  -0.732
   36   3HB   ALA   4          3HB       ALA   4  -8.704   8.570  -1.896
   37    H    CYS   5           H        CYS   5  -6.815   5.545   0.164
   38    HA   CYS   5           HA       CYS   5  -5.069   4.738  -1.916
   39   1HB   CYS   5          1HB       CYS   5  -5.424   3.669   0.419
   40   2HB   CYS   5          2HB       CYS   5  -6.743   2.800  -0.346
   41    HG   CYS   5           HG       CYS   5  -4.249   1.609  -0.358
   42    HA   PRO   6           HA       PRO   6  -8.047   3.931  -5.116
   43   1HB   PRO   6          1HB       PRO   6  -6.435   2.628  -6.839
   44   2HB   PRO   6          2HB       PRO   6  -6.293   4.368  -6.553
   45   1HG   PRO   6          1HG       PRO   6  -4.668   2.124  -5.412
   46   2HG   PRO   6          2HG       PRO   6  -4.121   3.682  -6.059
   47   1HD   PRO   6          1HD       PRO   6  -4.395   3.197  -3.399
   48   2HD   PRO   6          2HD       PRO   6  -4.618   4.807  -4.118
   49    H    GLU   7           H        GLU   7  -6.310   1.456  -3.388
   50    HA   GLU   7           HA       GLU   7  -8.021  -0.650  -4.496
   51   1HB   GLU   7          1HB       GLU   7  -5.533  -0.983  -4.405
   52   2HB   GLU   7          2HB       GLU   7  -5.646  -0.955  -2.651
   53   1HG   GLU   7          1HG       GLU   7  -7.534  -2.833  -3.696
   54   2HG   GLU   7          2HG       GLU   7  -5.940  -3.154  -4.373
   55    H    CYS   8           H        CYS   8  -6.916   0.592  -1.323
   56    HA   CYS   8           HA       CYS   8  -9.261  -0.700  -0.095
   57   1HB   CYS   8          1HB       CYS   8  -8.090  -0.720   1.971
   58   2HB   CYS   8          2HB       CYS   8  -6.958  -1.275   0.752
   59    HG   CYS   8           HG       CYS   8  -5.453   0.502   1.463
   60    HA   PRO   9           HA       PRO   9 -10.886   3.232   1.084
   61   1HB   PRO   9          1HB       PRO   9 -12.259   2.636   3.296
   62   2HB   PRO   9          2HB       PRO   9 -12.651   1.889   1.744
   63   1HG   PRO   9          1HG       PRO   9 -11.229   0.744   4.091
   64   2HG   PRO   9          2HG       PRO   9 -12.295  -0.052   2.923
   65   1HD   PRO   9          1HD       PRO   9  -9.467  -0.053   2.909
   66   2HD   PRO   9          2HD       PRO   9 -10.532  -0.635   1.621
   67    H    LYS  10           H        LYS  10  -8.090   3.029   2.024
   68    HA   LYS  10           HA       LYS  10  -8.167   4.174   4.696
   69   1HB   LYS  10          1HB       LYS  10  -5.802   3.583   2.903
   70   2HB   LYS  10          2HB       LYS  10  -5.701   4.167   4.538
   71   1HG   LYS  10          1HG       LYS  10  -7.217   1.664   4.051
   72   2HG   LYS  10          2HG       LYS  10  -5.454   1.616   3.986
   73   1HD   LYS  10          1HD       LYS  10  -5.931   1.118   6.213
   74   2HD   LYS  10          2HD       LYS  10  -5.548   2.840   6.250
   75   1HE   LYS  10          1HE       LYS  10  -7.758   3.459   6.561
   76   2HE   LYS  10          2HE       LYS  10  -8.381   1.947   5.898
   77   1HZ   LYS  10          1HZ       LYS  10  -8.651   2.094   8.311
   78   2HZ   LYS  10          2HZ       LYS  10  -6.974   2.212   8.502
   79   3HZ   LYS  10          3HZ       LYS  10  -7.655   0.797   7.873
   80    H    ARG  11           H        ARG  11  -7.087   6.184   5.179
   81    HA   ARG  11           HA       ARG  11  -6.824   8.102   2.991
   82   1HB   ARG  11          1HB       ARG  11  -8.230   9.760   4.262
   83   2HB   ARG  11          2HB       ARG  11  -9.121   8.423   3.551
   84   1HG   ARG  11          1HG       ARG  11  -8.311   7.762   6.228
   85   2HG   ARG  11          2HG       ARG  11  -9.180   9.297   6.205
   86   1HD   ARG  11          1HD       ARG  11 -11.022   8.246   4.999
   87   2HD   ARG  11          2HD       ARG  11 -10.149   6.713   4.986
   88    HE   ARG  11           HE       ARG  11 -11.607   7.871   7.183
   89   1HH1  ARG  11          1HH1      ARG  11  -9.104   5.591   6.282
   90   2HH1  ARG  11          2HH1      ARG  11  -9.262   4.659   7.732
   91   1HH2  ARG  11          1HH2      ARG  11 -11.808   6.639   9.089
   92   2HH2  ARG  11          2HH2      ARG  11 -10.797   5.253   9.326
   93    H    PHE  12           H        PHE  12  -5.171   9.498   3.317
   94    HA   PHE  12           HA       PHE  12  -4.171   9.852   6.058
   95   1HB   PHE  12          1HB       PHE  12  -2.360   9.336   3.730
   96   2HB   PHE  12          2HB       PHE  12  -1.902   9.445   5.414
   97    HD1  PHE  12           HD1      PHE  12  -4.306   7.475   3.340
   98    HD2  PHE  12           HD2      PHE  12  -1.364   7.444   6.413
   99    HE1  PHE  12           HE1      PHE  12  -4.535   5.051   3.520
  100    HE2  PHE  12           HE2      PHE  12  -1.594   4.999   6.601
  101    HZ   PHE  12           HZ       PHE  12  -3.183   3.799   5.137
  102    H    MET  13           H        MET  13  -3.200  11.791   6.518
  103    HA   MET  13           HA       MET  13  -3.890  13.998   4.834
  104   1HB   MET  13          1HB       MET  13  -2.644  15.348   6.572
  105   2HB   MET  13          2HB       MET  13  -4.001  14.404   7.167
  106   1HG   MET  13          1HG       MET  13  -2.704  13.087   8.442
  107   2HG   MET  13          2HG       MET  13  -1.388  13.063   7.271
  108   1HE   MET  13          1HE       MET  13   0.161  14.408  10.678
  109   2HE   MET  13          2HE       MET  13   0.138  13.068   9.531
  110   3HE   MET  13          3HE       MET  13  -1.245  13.348  10.590
  111    H    ARG  14           H        ARG  14  -1.022  12.077   5.326
  112    HA   ARG  14           HA       ARG  14   0.598  13.958   3.766
  113   1HB   ARG  14          1HB       ARG  14   1.317  11.540   5.426
  114   2HB   ARG  14          2HB       ARG  14   2.469  12.339   4.368
  115   1HG   ARG  14          1HG       ARG  14   1.487  14.435   5.814
  116   2HG   ARG  14          2HG       ARG  14   1.473  13.125   6.997
  117   1HD   ARG  14          1HD       ARG  14   3.914  12.888   5.653
  118   2HD   ARG  14          2HD       ARG  14   3.699  14.619   5.927
  119    HE   ARG  14           HE       ARG  14   3.127  13.200   8.297
  120   1HH1  ARG  14          1HH1      ARG  14   5.839  14.100   6.273
  121   2HH1  ARG  14          2HH1      ARG  14   6.972  14.105   7.582
  122   1HH2  ARG  14          1HH2      ARG  14   4.627  13.209  10.019
  123   2HH2  ARG  14          2HH2      ARG  14   6.285  13.598   9.707
  124    H    SER  15           H        SER  15   1.943  13.125   2.032
  125    HA   SER  15           HA       SER  15   0.487  11.180   0.413
  126   1HB   SER  15          1HB       SER  15   0.939  12.623  -1.193
  127   2HB   SER  15          2HB       SER  15   2.008  13.554  -0.147
  128    HG   SER  15           HG       SER  15   3.457  12.864  -1.530
  129    H    ASP  16           H        ASP  16   3.742  11.781   1.677
  130    HA   ASP  16           HA       ASP  16   4.920   9.426   0.614
  131   1HB   ASP  16          1HB       ASP  16   6.595   9.896   2.611
  132   2HB   ASP  16          2HB       ASP  16   6.567  10.929   1.192
  133    H    HIS  17           H        HIS  17   3.631  10.213   3.837
  134    HA   HIS  17           HA       HIS  17   4.160   7.717   5.024
  135   1HB   HIS  17          1HB       HIS  17   2.216   9.927   5.632
  136   2HB   HIS  17          2HB       HIS  17   2.190   8.427   6.548
  137    HD1  HIS  17           HD1      HIS  17   2.847   9.911   8.633
  138    HD2  HIS  17           HD2      HIS  17   5.713   9.693   5.630
  139    HE1  HIS  17           HE1      HIS  17   4.967  10.765   9.665
  140    HE2  HIS  17           HE2      HIS  17   6.673  10.697   7.815
  141    H    LEU  18           H        LEU  18   1.348   8.936   3.250
  142    HA   LEU  18           HA       LEU  18  -0.367   6.758   3.657
  143   1HB   LEU  18          1HB       LEU  18  -0.937   8.988   2.662
  144   2HB   LEU  18          2HB       LEU  18  -0.185   8.460   1.179
  145    HG   LEU  18           HG       LEU  18  -2.374   6.819   2.364
  146   1HD1  LEU  18          1HD1      LEU  18  -3.837   8.249   0.739
  147   2HD1  LEU  18          2HD1      LEU  18  -2.622   9.483   1.074
  148   3HD1  LEU  18          3HD1      LEU  18  -3.552   8.783   2.394
  149   1HD2  LEU  18          1HD2      LEU  18  -2.672   6.957  -0.354
  150   2HD2  LEU  18          2HD2      LEU  18  -1.850   5.672   0.537
  151   3HD2  LEU  18          3HD2      LEU  18  -0.921   7.010  -0.144
  152    H    THR  19           H        THR  19   1.990   7.417   1.075
  153    HA   THR  19           HA       THR  19   1.490   5.094  -0.403
  154    HB   THR  19           HB       THR  19   4.067   6.674  -0.189
  155    HG1  THR  19           HG1      THR  19   2.793   8.108  -1.069
  156   1HG2  THR  19          1HG2      THR  19   4.619   4.657  -1.286
  157   2HG2  THR  19          2HG2      THR  19   4.415   5.878  -2.541
  158   3HG2  THR  19          3HG2      THR  19   3.141   4.694  -2.248
  159    H    LEU  20           H        LEU  20   3.455   5.698   2.444
  160    HA   LEU  20           HA       LEU  20   5.040   3.380   2.426
  161   1HB   LEU  20          1HB       LEU  20   5.211   5.401   3.967
  162   2HB   LEU  20          2HB       LEU  20   3.906   4.692   4.895
  163    HG   LEU  20           HG       LEU  20   5.459   2.610   5.041
  164   1HD1  LEU  20          1HD1      LEU  20   7.468   4.775   4.433
  165   2HD1  LEU  20          2HD1      LEU  20   7.105   3.383   3.412
  166   3HD1  LEU  20          3HD1      LEU  20   7.837   3.145   4.999
  167   1HD2  LEU  20          1HD2      LEU  20   4.811   3.991   6.941
  168   2HD2  LEU  20          2HD2      LEU  20   6.076   5.152   6.541
  169   3HD2  LEU  20          3HD2      LEU  20   6.507   3.520   7.053
  170    H    HIS  21           H        HIS  21   1.724   3.970   3.389
  171    HA   HIS  21           HA       HIS  21   1.230   1.504   4.682
  172   1HB   HIS  21          1HB       HIS  21  -0.713   2.537   5.119
  173   2HB   HIS  21          2HB       HIS  21  -0.176   3.900   4.182
  174    HD1  HIS  21           HD1      HIS  21  -2.090   4.597   2.750
  175    HD2  HIS  21           HD2      HIS  21  -1.686   0.478   2.895
  176    HE1  HIS  21           HE1      HIS  21  -3.934   3.639   1.315
  177    H    ILE  22           H        ILE  22   0.586   2.678   1.421
  178    HA   ILE  22           HA       ILE  22  -0.660   0.368   0.465
  179    HB   ILE  22           HB       ILE  22   0.912   2.227  -1.304
  180   1HG1  ILE  22          1HG1      ILE  22  -1.943   2.782  -0.745
  181   2HG1  ILE  22          2HG1      ILE  22  -0.826   3.195   0.534
  182   1HG2  ILE  22          1HG2      ILE  22  -0.533   0.018  -1.930
  183   2HG2  ILE  22          2HG2      ILE  22  -0.301   1.390  -3.011
  184   3HG2  ILE  22          3HG2      ILE  22  -1.770   1.271  -2.039
  185   1HD1  ILE  22          1HD1      ILE  22  -0.398   5.078  -0.506
  186   2HD1  ILE  22          2HD1      ILE  22  -1.437   4.603  -1.849
  187   3HD1  ILE  22          3HD1      ILE  22   0.272   4.169  -1.858
  188    H    LEU  23           H        LEU  23   2.573   0.680   1.347
  189    HA   LEU  23           HA       LEU  23   3.870  -0.865  -0.609
  190   1HB   LEU  23          1HB       LEU  23   4.501   0.245   1.958
  191   2HB   LEU  23          2HB       LEU  23   5.065  -1.412   1.890
  192    HG   LEU  23           HG       LEU  23   6.233  -0.808  -0.274
  193   1HD1  LEU  23          1HD1      LEU  23   5.521   1.971   0.649
  194   2HD1  LEU  23          2HD1      LEU  23   5.018   1.189  -0.850
  195   3HD1  LEU  23          3HD1      LEU  23   6.715   1.594  -0.595
  196   1HD2  LEU  23          1HD2      LEU  23   7.952  -0.835   1.131
  197   2HD2  LEU  23          2HD2      LEU  23   6.943  -0.250   2.454
  198   3HD2  LEU  23          3HD2      LEU  23   7.728   0.898   1.369
  199    H    LEU  24           H        LEU  24   1.949  -1.770   2.231
  200    HA   LEU  24           HA       LEU  24   2.673  -4.514   2.228
  201   1HB   LEU  24          1HB       LEU  24   0.210  -4.680   3.277
  202   2HB   LEU  24          2HB       LEU  24   1.635  -4.233   4.185
  203    HG   LEU  24           HG       LEU  24   0.991  -1.817   3.721
  204   1HD1  LEU  24          1HD1      LEU  24  -0.580  -1.963   1.970
  205   2HD1  LEU  24          2HD1      LEU  24  -1.531  -1.575   3.403
  206   3HD1  LEU  24          3HD1      LEU  24  -1.494  -3.229   2.788
  207   1HD2  LEU  24          1HD2      LEU  24  -0.168  -1.734   5.696
  208   2HD2  LEU  24          2HD2      LEU  24   0.609  -3.314   5.806
  209   3HD2  LEU  24          3HD2      LEU  24  -1.088  -3.196   5.341
  210    H    HIS  25           H        HIS  25   0.282  -2.709   0.406
  211    HA   HIS  25           HA       HIS  25  -1.290  -4.842  -0.511
  212   1HB   HIS  25          1HB       HIS  25  -0.648  -2.162  -1.746
  213   2HB   HIS  25          2HB       HIS  25  -1.791  -3.293  -2.462
  214    HD1  HIS  25           HD1      HIS  25  -3.393  -4.168  -0.004
  215    HD2  HIS  25           HD2      HIS  25  -2.222  -0.248  -0.726
  216    HE1  HIS  25           HE1      HIS  25  -4.999  -2.695   1.281
  217    H    GLU  26           H        GLU  26   1.454  -3.224  -2.141
  218    HA   GLU  26           HA       GLU  26   1.561  -5.146  -4.249
  219   1HB   GLU  26          1HB       GLU  26   2.388  -2.729  -4.317
  220   2HB   GLU  26          2HB       GLU  26   3.803  -3.300  -3.442
  221   1HG   GLU  26          1HG       GLU  26   4.237  -4.899  -5.285
  222   2HG   GLU  26          2HG       GLU  26   2.889  -4.184  -6.170
  223    H    ASN  27           H        ASN  27   3.654  -4.519  -1.430
  224    HA   ASN  27           HA       ASN  27   4.678  -7.271  -1.691
  225   1HB   ASN  27          1HB       ASN  27   6.049  -4.751  -0.755
  226   2HB   ASN  27          2HB       ASN  27   6.683  -6.352  -0.388
  227   1HD2  ASN  27          1HD2      ASN  27   5.882  -4.117  -2.973
  228   2HD2  ASN  27          2HD2      ASN  27   6.923  -4.823  -4.157
  229    H    LYS  28           H        LYS  28   3.457  -8.420  -0.302
  230    HA   LYS  28           HA       LYS  28   2.401  -7.445   2.131
  231   1HB   LYS  28          1HB       LYS  28   1.800  -9.561   0.647
  232   2HB   LYS  28          2HB       LYS  28   2.891 -10.367   1.765
  233   1HG   LYS  28          1HG       LYS  28   0.897 -10.683   2.827
  234   2HG   LYS  28          2HG       LYS  28   1.417  -9.174   3.576
  235   1HD   LYS  28          1HD       LYS  28  -0.591  -8.385   2.972
  236   2HD   LYS  28          2HD       LYS  28   0.084  -8.297   1.344
  237   1HE   LYS  28          1HE       LYS  28  -1.243 -10.781   2.394
  238   2HE   LYS  28          2HE       LYS  28  -2.159  -9.486   1.626
  239   1HZ   LYS  28          1HZ       LYS  28  -1.629 -11.125  -0.005
  240   2HZ   LYS  28          2HZ       LYS  28   0.012 -11.100   0.402
  241   3HZ   LYS  28          3HZ       LYS  28  -0.697  -9.753  -0.337
  242    H    LYS  29           H        LYS  29   3.383  -7.065   3.995
  243    HA   LYS  29           HA       LYS  29   5.992  -8.322   4.507
  244   1HB   LYS  29          1HB       LYS  29   4.756  -5.812   5.653
  245   2HB   LYS  29          2HB       LYS  29   6.305  -6.474   6.157
  246   1HG   LYS  29          1HG       LYS  29   7.031  -6.261   3.744
  247   2HG   LYS  29          2HG       LYS  29   5.566  -5.312   3.488
  248   1HD   LYS  29          1HD       LYS  29   7.571  -4.644   5.630
  249   2HD   LYS  29          2HD       LYS  29   7.698  -4.018   3.986
  250   1HE   LYS  29          1HE       LYS  29   5.236  -3.686   5.686
  251   2HE   LYS  29          2HE       LYS  29   6.552  -2.514   5.663
  252   1HZ   LYS  29          1HZ       LYS  29   4.735  -3.265   3.452
  253   2HZ   LYS  29          2HZ       LYS  29   6.193  -2.456   3.171
  254   3HZ   LYS  29          3HZ       LYS  29   4.997  -1.734   4.123
  Start of MODEL   11
    1    H    TYR   1           H        TYR   1  -6.275  13.850   6.387
    2    HA   TYR   1           HA       TYR   1  -6.666  11.618   5.516
    3   1HB   TYR   1          1HB       TYR   1  -9.486  12.268   6.417
    4   2HB   TYR   1          2HB       TYR   1  -9.062  10.923   5.367
    5    HD1  TYR   1           HD1      TYR   1  -6.522  10.065   6.789
    6    HD2  TYR   1           HD2      TYR   1 -10.376  11.103   8.261
    7    HE1  TYR   1           HE1      TYR   1  -6.143   8.650   8.762
    8    HE2  TYR   1           HE2      TYR   1 -10.006   9.692  10.240
    9    HH   TYR   1           HH       TYR   1  -7.413   8.810  11.413
   10    H    LYS   2           H        LYS   2  -5.805  13.257   4.027
   11    HA   LYS   2           HA       LYS   2  -7.797  14.703   2.455
   12   1HB   LYS   2          1HB       LYS   2  -4.795  14.803   2.610
   13   2HB   LYS   2          2HB       LYS   2  -5.662  15.564   1.283
   14   1HG   LYS   2          1HG       LYS   2  -6.189  16.173   4.181
   15   2HG   LYS   2          2HG       LYS   2  -5.063  17.083   3.172
   16   1HD   LYS   2          1HD       LYS   2  -6.724  18.248   2.245
   17   2HD   LYS   2          2HD       LYS   2  -7.622  16.779   1.864
   18   1HE   LYS   2          1HE       LYS   2  -7.577  17.995   4.616
   19   2HE   LYS   2          2HE       LYS   2  -8.768  18.443   3.396
   20   1HZ   LYS   2          1HZ       LYS   2  -9.326  16.017   3.268
   21   2HZ   LYS   2          2HZ       LYS   2  -9.738  16.771   4.724
   22   3HZ   LYS   2          3HZ       LYS   2  -8.368  15.783   4.642
   23    H    PHE   3           H        PHE   3  -5.235  12.272   1.993
   24    HA   PHE   3           HA       PHE   3  -6.049  11.858  -0.764
   25   1HB   PHE   3          1HB       PHE   3  -3.728  11.107   0.913
   26   2HB   PHE   3          2HB       PHE   3  -4.187   9.957  -0.327
   27    HD1  PHE   3           HD1      PHE   3  -4.340  10.764  -2.724
   28    HD2  PHE   3           HD2      PHE   3  -2.516  13.032   0.382
   29    HE1  PHE   3           HE1      PHE   3  -3.142  12.099  -4.407
   30    HE2  PHE   3           HE2      PHE   3  -1.316  14.372  -1.296
   31    HZ   PHE   3           HZ       PHE   3  -1.628  13.907  -3.694
   32    H    ALA   4           H        ALA   4  -6.180   9.521  -1.509
   33    HA   ALA   4           HA       ALA   4  -7.379   7.692   0.412
   34   1HB   ALA   4          1HB       ALA   4  -9.381   7.340  -0.975
   35   2HB   ALA   4          2HB       ALA   4  -8.874   8.665  -2.023
   36   3HB   ALA   4          3HB       ALA   4  -9.294   8.982  -0.339
   37    H    CYS   5           H        CYS   5  -6.854   5.621  -0.031
   38    HA   CYS   5           HA       CYS   5  -5.039   5.039  -2.128
   39   1HB   CYS   5          1HB       CYS   5  -5.359   3.881   0.189
   40   2HB   CYS   5          2HB       CYS   5  -6.542   2.900  -0.661
   41    HG   CYS   5           HG       CYS   5  -4.730   1.712  -1.877
   42    HA   PRO   6           HA       PRO   6  -7.918   4.090  -5.381
   43   1HB   PRO   6          1HB       PRO   6  -6.225   2.836  -7.074
   44   2HB   PRO   6          2HB       PRO   6  -6.183   4.584  -6.813
   45   1HG   PRO   6          1HG       PRO   6  -4.440   2.452  -5.641
   46   2HG   PRO   6          2HG       PRO   6  -3.985   4.041  -6.281
   47   1HD   PRO   6          1HD       PRO   6  -4.256   3.532  -3.623
   48   2HD   PRO   6          2HD       PRO   6  -4.564   5.128  -4.340
   49    H    GLU   7           H        GLU   7  -6.080   1.667  -3.671
   50    HA   GLU   7           HA       GLU   7  -7.690  -0.502  -4.802
   51   1HB   GLU   7          1HB       GLU   7  -5.034  -0.410  -4.267
   52   2HB   GLU   7          2HB       GLU   7  -5.630  -1.114  -2.772
   53   1HG   GLU   7          1HG       GLU   7  -6.352  -2.210  -5.471
   54   2HG   GLU   7          2HG       GLU   7  -4.915  -2.719  -4.586
   55    H    CYS   8           H        CYS   8  -6.751   0.826  -1.616
   56    HA   CYS   8           HA       CYS   8  -9.086  -0.548  -0.454
   57   1HB   CYS   8          1HB       CYS   8  -7.970  -0.568   1.648
   58   2HB   CYS   8          2HB       CYS   8  -6.810  -1.119   0.454
   59    HG   CYS   8           HG       CYS   8  -5.513   0.551   1.849
   60    HA   PRO   9           HA       PRO   9 -10.755   3.366   0.743
   61   1HB   PRO   9          1HB       PRO   9 -12.224   2.711   2.873
   62   2HB   PRO   9          2HB       PRO   9 -12.551   2.008   1.285
   63   1HG   PRO   9          1HG       PRO   9 -11.238   0.794   3.661
   64   2HG   PRO   9          2HG       PRO   9 -12.245   0.032   2.420
   65   1HD   PRO   9          1HD       PRO   9  -9.414   0.044   2.545
   66   2HD   PRO   9          2HD       PRO   9 -10.415  -0.523   1.199
   67    H    LYS  10           H        LYS  10  -8.004   3.088   1.787
   68    HA   LYS  10           HA       LYS  10  -8.156   4.132   4.497
   69   1HB   LYS  10          1HB       LYS  10  -5.822   3.427   2.724
   70   2HB   LYS  10          2HB       LYS  10  -5.619   4.248   4.240
   71   1HG   LYS  10          1HG       LYS  10  -5.458   1.606   3.990
   72   2HG   LYS  10          2HG       LYS  10  -5.991   2.404   5.469
   73   1HD   LYS  10          1HD       LYS  10  -8.325   2.097   4.795
   74   2HD   LYS  10          2HD       LYS  10  -7.795   1.315   3.305
   75   1HE   LYS  10          1HE       LYS  10  -6.713  -0.446   4.630
   76   2HE   LYS  10          2HE       LYS  10  -7.276   0.330   6.108
   77   1HZ   LYS  10          1HZ       LYS  10  -9.588   0.067   4.998
   78   2HZ   LYS  10          2HZ       LYS  10  -8.873  -1.262   5.760
   79   3HZ   LYS  10          3HZ       LYS  10  -8.822  -1.128   4.075
   80    H    ARG  11           H        ARG  11  -7.005   6.088   5.077
   81    HA   ARG  11           HA       ARG  11  -6.695   8.095   2.989
   82   1HB   ARG  11          1HB       ARG  11  -8.514   8.434   5.371
   83   2HB   ARG  11          2HB       ARG  11  -8.031   9.725   4.293
   84   1HG   ARG  11          1HG       ARG  11  -9.193   8.734   2.458
   85   2HG   ARG  11          2HG       ARG  11  -9.521   7.274   3.395
   86   1HD   ARG  11          1HD       ARG  11 -10.561   9.259   4.982
   87   2HD   ARG  11          2HD       ARG  11 -10.920   9.836   3.356
   88    HE   ARG  11           HE       ARG  11 -12.447   8.147   3.123
   89   1HH1  ARG  11          1HH1      ARG  11 -10.420   7.436   5.891
   90   2HH1  ARG  11          2HH1      ARG  11 -11.390   6.101   6.411
   91   1HH2  ARG  11          1HH2      ARG  11 -13.719   6.386   3.816
   92   2HH2  ARG  11          2HH2      ARG  11 -13.262   5.504   5.235
   93    H    PHE  12           H        PHE  12  -5.188   9.657   3.480
   94    HA   PHE  12           HA       PHE  12  -4.060   9.686   6.183
   95   1HB   PHE  12          1HB       PHE  12  -2.329   9.392   3.753
   96   2HB   PHE  12          2HB       PHE  12  -1.801   9.378   5.421
   97    HD1  PHE  12           HD1      PHE  12  -4.203   7.545   3.229
   98    HD2  PHE  12           HD2      PHE  12  -1.283   7.316   6.315
   99    HE1  PHE  12           HE1      PHE  12  -4.416   5.109   3.235
  100    HE2  PHE  12           HE2      PHE  12  -1.498   4.861   6.328
  101    HZ   PHE  12           HZ       PHE  12  -3.065   3.757   4.772
  102    H    MET  13           H        MET  13  -3.011  11.567   6.778
  103    HA   MET  13           HA       MET  13  -3.798  13.931   5.356
  104   1HB   MET  13          1HB       MET  13  -2.057  13.552   7.800
  105   2HB   MET  13          2HB       MET  13  -2.563  15.116   7.177
  106   1HG   MET  13          1HG       MET  13  -4.741  14.833   7.841
  107   2HG   MET  13          2HG       MET  13  -4.631  13.072   7.823
  108   1HE   MET  13          1HE       MET  13  -3.201  11.727   9.439
  109   2HE   MET  13          2HE       MET  13  -4.783  11.846  10.208
  110   3HE   MET  13          3HE       MET  13  -3.319  12.061  11.167
  111    H    ARG  14           H        ARG  14  -0.914  11.982   5.562
  112    HA   ARG  14           HA       ARG  14   0.664  14.011   4.154
  113   1HB   ARG  14          1HB       ARG  14   1.441  11.424   5.509
  114   2HB   ARG  14          2HB       ARG  14   2.563  12.397   4.570
  115   1HG   ARG  14          1HG       ARG  14   3.001  13.099   6.714
  116   2HG   ARG  14          2HG       ARG  14   1.843  14.313   6.168
  117   1HD   ARG  14          1HD       ARG  14   0.670  13.830   8.004
  118   2HD   ARG  14          2HD       ARG  14   0.245  12.314   7.209
  119    HE   ARG  14           HE       ARG  14   1.618  11.201   8.659
  120   1HH1  ARG  14          1HH1      ARG  14   2.357  14.620   8.843
  121   2HH1  ARG  14          2HH1      ARG  14   3.411  14.444  10.205
  122   1HH2  ARG  14          1HH2      ARG  14   3.009  10.977  10.454
  123   2HH2  ARG  14          2HH2      ARG  14   3.783  12.377  11.117
  124    H    SER  15           H        SER  15   1.960  13.350   2.296
  125    HA   SER  15           HA       SER  15   0.433  11.590   0.545
  126   1HB   SER  15          1HB       SER  15   0.816  13.275  -0.834
  127   2HB   SER  15          2HB       SER  15   2.094  13.947   0.175
  128    HG   SER  15           HG       SER  15   3.553  12.952  -1.006
  129    H    ASP  16           H        ASP  16   3.762  11.995   1.730
  130    HA   ASP  16           HA       ASP  16   4.795   9.716   0.373
  131   1HB   ASP  16          1HB       ASP  16   5.974  11.811   1.567
  132   2HB   ASP  16          2HB       ASP  16   6.114  10.629   2.862
  133    H    HIS  17           H        HIS  17   3.760  10.278   3.731
  134    HA   HIS  17           HA       HIS  17   4.317   7.712   4.720
  135   1HB   HIS  17          1HB       HIS  17   2.361   9.842   5.556
  136   2HB   HIS  17          2HB       HIS  17   2.452   8.300   6.394
  137    HD1  HIS  17           HD1      HIS  17   3.161   9.753   8.494
  138    HD2  HIS  17           HD2      HIS  17   5.880   9.700   5.355
  139    HE1  HIS  17           HE1      HIS  17   5.302  10.644   9.447
  140    HE2  HIS  17           HE2      HIS  17   6.909  10.694   7.509
  141    H    LEU  18           H        LEU  18   1.420   9.029   3.151
  142    HA   LEU  18           HA       LEU  18  -0.280   6.840   3.505
  143   1HB   LEU  18          1HB       LEU  18  -0.912   9.084   2.633
  144   2HB   LEU  18          2HB       LEU  18  -0.154   8.672   1.116
  145    HG   LEU  18           HG       LEU  18  -2.306   6.915   2.200
  146   1HD1  LEU  18          1HD1      LEU  18  -3.852   8.361   0.747
  147   2HD1  LEU  18          2HD1      LEU  18  -2.623   9.610   0.955
  148   3HD1  LEU  18          3HD1      LEU  18  -3.439   8.936   2.362
  149   1HD2  LEU  18          1HD2      LEU  18  -2.601   7.211  -0.509
  150   2HD2  LEU  18          2HD2      LEU  18  -1.770   5.884   0.309
  151   3HD2  LEU  18          3HD2      LEU  18  -0.852   7.268  -0.287
  152    H    THR  19           H        THR  19   1.949   7.613   0.837
  153    HA   THR  19           HA       THR  19   1.413   5.329  -0.682
  154    HB   THR  19           HB       THR  19   4.048   6.815  -0.560
  155    HG1  THR  19           HG1      THR  19   2.857   8.426  -1.190
  156   1HG2  THR  19          1HG2      THR  19   4.275   6.216  -2.901
  157   2HG2  THR  19          2HG2      THR  19   2.763   5.310  -2.827
  158   3HG2  THR  19          3HG2      THR  19   4.157   4.777  -1.889
  159    H    LEU  20           H        LEU  20   3.533   5.893   2.061
  160    HA   LEU  20           HA       LEU  20   5.135   3.602   1.944
  161   1HB   LEU  20          1HB       LEU  20   5.156   5.648   3.566
  162   2HB   LEU  20          2HB       LEU  20   4.068   4.679   4.538
  163    HG   LEU  20           HG       LEU  20   6.320   4.459   5.361
  164   1HD1  LEU  20          1HD1      LEU  20   5.829   1.870   3.951
  165   2HD1  LEU  20          2HD1      LEU  20   4.712   2.450   5.186
  166   3HD1  LEU  20          3HD1      LEU  20   6.404   2.159   5.593
  167   1HD2  LEU  20          1HD2      LEU  20   8.141   3.614   4.050
  168   2HD2  LEU  20          2HD2      LEU  20   7.449   5.007   3.219
  169   3HD2  LEU  20          3HD2      LEU  20   7.086   3.374   2.658
  170    H    HIS  21           H        HIS  21   1.913   4.145   3.272
  171    HA   HIS  21           HA       HIS  21   1.419   1.688   4.469
  172   1HB   HIS  21          1HB       HIS  21  -0.539   2.707   4.863
  173   2HB   HIS  21          2HB       HIS  21  -0.059   4.023   3.830
  174    HD1  HIS  21           HD1      HIS  21  -2.071   4.546   2.441
  175    HD2  HIS  21           HD2      HIS  21  -1.400   0.471   2.728
  176    HE1  HIS  21           HE1      HIS  21  -3.880   3.421   1.088
  177    H    ILE  22           H        ILE  22   0.802   2.725   1.162
  178    HA   ILE  22           HA       ILE  22  -0.405   0.362   0.292
  179    HB   ILE  22           HB       ILE  22   1.079   2.221  -1.548
  180   1HG1  ILE  22          1HG1      ILE  22  -1.784   2.689  -0.946
  181   2HG1  ILE  22          2HG1      ILE  22  -0.661   3.163   0.307
  182   1HG2  ILE  22          1HG2      ILE  22  -0.085   1.251  -3.208
  183   2HG2  ILE  22          2HG2      ILE  22  -1.572   1.209  -2.256
  184   3HG2  ILE  22          3HG2      ILE  22  -0.360  -0.055  -2.055
  185   1HD1  ILE  22          1HD1      ILE  22   0.440   4.191  -1.997
  186   2HD1  ILE  22          2HD1      ILE  22  -0.477   5.070  -0.774
  187   3HD1  ILE  22          3HD1      ILE  22  -1.295   4.430  -2.198
  188    H    LEU  23           H        LEU  23   2.741   0.553   1.284
  189    HA   LEU  23           HA       LEU  23   3.998  -1.037  -0.736
  190   1HB   LEU  23          1HB       LEU  23   4.731   0.038   1.909
  191   2HB   LEU  23          2HB       LEU  23   5.486  -1.488   1.504
  192    HG   LEU  23           HG       LEU  23   6.288  -0.424  -0.634
  193   1HD1  LEU  23          1HD1      LEU  23   5.385   2.102   0.743
  194   2HD1  LEU  23          2HD1      LEU  23   4.680   1.413  -0.719
  195   3HD1  LEU  23          3HD1      LEU  23   6.340   2.011  -0.737
  196   1HD2  LEU  23          1HD2      LEU  23   7.263   0.962   1.854
  197   2HD2  LEU  23          2HD2      LEU  23   8.176   0.588   0.393
  198   3HD2  LEU  23          3HD2      LEU  23   7.648  -0.713   1.459
  199    H    LEU  24           H        LEU  24   2.179  -1.665   2.215
  200    HA   LEU  24           HA       LEU  24   2.824  -4.461   2.300
  201   1HB   LEU  24          1HB       LEU  24   0.706  -4.482   3.836
  202   2HB   LEU  24          2HB       LEU  24   2.236  -3.848   4.395
  203    HG   LEU  24           HG       LEU  24   1.368  -1.549   3.804
  204   1HD1  LEU  24          1HD1      LEU  24  -1.239  -3.060   3.606
  205   2HD1  LEU  24          2HD1      LEU  24  -0.436  -2.187   2.301
  206   3HD1  LEU  24          3HD1      LEU  24  -1.080  -1.304   3.684
  207   1HD2  LEU  24          1HD2      LEU  24   0.604  -1.293   5.923
  208   2HD2  LEU  24          2HD2      LEU  24   1.325  -2.898   6.065
  209   3HD2  LEU  24          3HD2      LEU  24  -0.417  -2.731   5.847
  210    H    HIS  25           H        HIS  25   0.670  -2.618   0.409
  211    HA   HIS  25           HA       HIS  25  -1.509  -4.320   0.088
  212   1HB   HIS  25          1HB       HIS  25  -0.344  -2.074  -1.373
  213   2HB   HIS  25          2HB       HIS  25  -1.156  -3.225  -2.429
  214    HD1  HIS  25           HD1      HIS  25  -3.709  -3.899  -1.305
  215    HD2  HIS  25           HD2      HIS  25  -2.021  -0.184  -0.525
  216    HE1  HIS  25           HE1      HIS  25  -5.608  -2.391  -0.588
  217    H    GLU  26           H        GLU  26   1.697  -4.459  -1.383
  218    HA   GLU  26           HA       GLU  26   1.219  -6.280  -3.430
  219   1HB   GLU  26          1HB       GLU  26   3.595  -6.849  -3.297
  220   2HB   GLU  26          2HB       GLU  26   3.352  -5.113  -3.166
  221   1HG   GLU  26          1HG       GLU  26   4.651  -5.174  -1.374
  222   2HG   GLU  26          2HG       GLU  26   3.331  -5.991  -0.539
  223    H    ASN  27           H        ASN  27   1.592  -6.839   0.023
  224    HA   ASN  27           HA       ASN  27   1.597  -9.727  -0.316
  225   1HB   ASN  27          1HB       ASN  27   2.933  -8.397   1.460
  226   2HB   ASN  27          2HB       ASN  27   1.401  -8.290   2.321
  227   1HD2  ASN  27          1HD2      ASN  27   3.770 -10.523   0.989
  228   2HD2  ASN  27          2HD2      ASN  27   3.393 -11.838   2.044
  229    H    LYS  28           H        LYS  28  -0.068 -11.094   0.233
  230    HA   LYS  28           HA       LYS  28  -2.715  -9.963   0.192
  231   1HB   LYS  28          1HB       LYS  28  -1.689 -12.796   0.322
  232   2HB   LYS  28          2HB       LYS  28  -3.404 -12.406   0.361
  233   1HG   LYS  28          1HG       LYS  28  -2.744 -11.045  -1.825
  234   2HG   LYS  28          2HG       LYS  28  -1.470 -12.266  -1.876
  235   1HD   LYS  28          1HD       LYS  28  -3.478 -13.908  -1.432
  236   2HD   LYS  28          2HD       LYS  28  -4.426 -12.587  -2.116
  237   1HE   LYS  28          1HE       LYS  28  -3.942 -13.748  -4.023
  238   2HE   LYS  28          2HE       LYS  28  -2.555 -12.662  -3.973
  239   1HZ   LYS  28          1HZ       LYS  28  -2.606 -15.473  -3.010
  240   2HZ   LYS  28          2HZ       LYS  28  -1.275 -14.432  -2.909
  241   3HZ   LYS  28          3HZ       LYS  28  -1.858 -14.915  -4.421
  242    H    LYS  29           H        LYS  29  -4.358 -10.316   1.762
  243    HA   LYS  29           HA       LYS  29  -3.500  -9.903   4.438
  244   1HB   LYS  29          1HB       LYS  29  -6.192 -10.354   3.169
  245   2HB   LYS  29          2HB       LYS  29  -6.017 -10.227   4.915
  246   1HG   LYS  29          1HG       LYS  29  -5.041  -8.000   4.654
  247   2HG   LYS  29          2HG       LYS  29  -5.225  -8.128   2.904
  248   1HD   LYS  29          1HD       LYS  29  -7.659  -8.623   4.500
  249   2HD   LYS  29          2HD       LYS  29  -7.044  -6.968   4.522
  250   1HE   LYS  29          1HE       LYS  29  -7.093  -6.902   2.089
  251   2HE   LYS  29          2HE       LYS  29  -7.651  -8.573   2.040
  252   1HZ   LYS  29          1HZ       LYS  29  -9.673  -7.907   3.164
  253   2HZ   LYS  29          2HZ       LYS  29  -9.468  -6.994   1.756
  254   3HZ   LYS  29          3HZ       LYS  29  -9.132  -6.306   3.264
  Start of MODEL   12
    1    H    TYR   1           H        TYR   1 -11.258  14.520   1.840
    2    HA   TYR   1           HA       TYR   1  -9.823  14.234   3.715
    3   1HB   TYR   1          1HB       TYR   1 -10.165  11.438   2.915
    4   2HB   TYR   1          2HB       TYR   1  -8.483  11.863   3.217
    5    HD1  TYR   1           HD1      TYR   1 -11.753  11.304   4.703
    6    HD2  TYR   1           HD2      TYR   1  -7.790  12.660   5.451
    7    HE1  TYR   1           HE1      TYR   1 -12.139  11.081   7.121
    8    HE2  TYR   1           HE2      TYR   1  -8.165  12.441   7.871
    9    HH   TYR   1           HH       TYR   1 -10.746  12.444   9.342
   10    H    LYS   2           H        LYS   2  -7.293  13.721   3.413
   11    HA   LYS   2           HA       LYS   2  -6.423  15.376   1.312
   12   1HB   LYS   2          1HB       LYS   2  -5.286  14.268   3.606
   13   2HB   LYS   2          2HB       LYS   2  -4.338  13.602   2.285
   14   1HG   LYS   2          1HG       LYS   2  -4.899  16.528   2.338
   15   2HG   LYS   2          2HG       LYS   2  -3.666  15.859   3.408
   16   1HD   LYS   2          1HD       LYS   2  -2.368  15.087   1.609
   17   2HD   LYS   2          2HD       LYS   2  -3.701  15.254   0.466
   18   1HE   LYS   2          1HE       LYS   2  -3.599  17.707   0.767
   19   2HE   LYS   2          2HE       LYS   2  -2.205  17.494   1.824
   20   1HZ   LYS   2          1HZ       LYS   2  -0.987  16.526  -0.012
   21   2HZ   LYS   2          2HZ       LYS   2  -1.554  18.061  -0.441
   22   3HZ   LYS   2          3HZ       LYS   2  -2.331  16.679  -1.031
   23    H    PHE   3           H        PHE   3  -5.883  11.857   1.742
   24    HA   PHE   3           HA       PHE   3  -5.851  11.603  -1.186
   25   1HB   PHE   3          1HB       PHE   3  -3.735  10.979   0.720
   26   2HB   PHE   3          2HB       PHE   3  -4.187   9.594  -0.256
   27    HD1  PHE   3           HD1      PHE   3  -4.455  10.163  -2.851
   28    HD2  PHE   3           HD2      PHE   3  -2.085  12.352  -0.076
   29    HE1  PHE   3           HE1      PHE   3  -3.091  11.029  -4.705
   30    HE2  PHE   3           HE2      PHE   3  -0.717  13.223  -1.926
   31    HZ   PHE   3           HZ       PHE   3  -1.220  12.562  -4.244
   32    H    ALA   4           H        ALA   4  -5.970   9.181  -1.798
   33    HA   ALA   4           HA       ALA   4  -7.537   7.557   0.035
   34   1HB   ALA   4          1HB       ALA   4  -8.645   8.492  -2.610
   35   2HB   ALA   4          2HB       ALA   4  -9.275   8.866  -1.007
   36   3HB   ALA   4          3HB       ALA   4  -9.348   7.214  -1.619
   37    H    CYS   5           H        CYS   5  -6.899   5.498  -0.136
   38    HA   CYS   5           HA       CYS   5  -5.000   4.700  -2.096
   39   1HB   CYS   5          1HB       CYS   5  -5.204   3.813   0.280
   40   2HB   CYS   5          2HB       CYS   5  -6.549   2.842  -0.293
   41    HG   CYS   5           HG       CYS   5  -4.769   1.204  -0.737
   42    HA   PRO   6           HA       PRO   6  -7.783   3.344  -5.280
   43   1HB   PRO   6          1HB       PRO   6  -6.033   1.916  -6.769
   44   2HB   PRO   6          2HB       PRO   6  -6.020   3.682  -6.722
   45   1HG   PRO   6          1HG       PRO   6  -4.279   1.735  -5.260
   46   2HG   PRO   6          2HG       PRO   6  -3.831   3.246  -6.072
   47   1HD   PRO   6          1HD       PRO   6  -4.161   3.049  -3.381
   48   2HD   PRO   6          2HD       PRO   6  -4.476   4.543  -4.290
   49    H    GLU   7           H        GLU   7  -6.020   1.166  -3.211
   50    HA   GLU   7           HA       GLU   7  -7.540  -1.145  -4.152
   51   1HB   GLU   7          1HB       GLU   7  -5.033  -0.754  -2.585
   52   2HB   GLU   7          2HB       GLU   7  -5.957  -2.222  -2.328
   53   1HG   GLU   7          1HG       GLU   7  -4.505  -2.897  -3.957
   54   2HG   GLU   7          2HG       GLU   7  -5.883  -2.385  -4.930
   55    H    CYS   8           H        CYS   8  -6.858   0.681  -1.162
   56    HA   CYS   8           HA       CYS   8  -9.254  -0.558   0.034
   57   1HB   CYS   8          1HB       CYS   8  -8.197  -0.506   2.183
   58   2HB   CYS   8          2HB       CYS   8  -7.093  -1.276   1.058
   59    HG   CYS   8           HG       CYS   8  -5.448   0.522   1.410
   60    HA   PRO   9           HA       PRO   9 -10.647   3.537   0.960
   61   1HB   PRO   9          1HB       PRO   9 -12.247   3.120   3.049
   62   2HB   PRO   9          2HB       PRO   9 -12.556   2.336   1.495
   63   1HG   PRO   9          1HG       PRO   9 -11.412   1.198   3.997
   64   2HG   PRO   9          2HG       PRO   9 -12.446   0.430   2.782
   65   1HD   PRO   9          1HD       PRO   9  -9.633   0.223   2.987
   66   2HD   PRO   9          2HD       PRO   9 -10.641  -0.331   1.639
   67    H    LYS  10           H        LYS  10  -7.962   3.146   2.131
   68    HA   LYS  10           HA       LYS  10  -8.107   4.252   4.799
   69   1HB   LYS  10          1HB       LYS  10  -5.710   3.721   3.026
   70   2HB   LYS  10          2HB       LYS  10  -5.627   4.268   4.677
   71   1HG   LYS  10          1HG       LYS  10  -7.119   1.768   4.074
   72   2HG   LYS  10          2HG       LYS  10  -5.354   1.743   4.104
   73   1HD   LYS  10          1HD       LYS  10  -6.931   2.935   6.362
   74   2HD   LYS  10          2HD       LYS  10  -6.630   1.198   6.276
   75   1HE   LYS  10          1HE       LYS  10  -4.149   1.940   5.928
   76   2HE   LYS  10          2HE       LYS  10  -4.699   3.446   6.662
   77   1HZ   LYS  10          1HZ       LYS  10  -5.473   2.173   8.577
   78   2HZ   LYS  10          2HZ       LYS  10  -3.815   1.952   8.326
   79   3HZ   LYS  10          3HZ       LYS  10  -4.906   0.741   7.875
   80    H    ARG  11           H        ARG  11  -6.942   6.240   5.374
   81    HA   ARG  11           HA       ARG  11  -6.717   8.236   3.257
   82   1HB   ARG  11          1HB       ARG  11  -8.246   9.776   4.174
   83   2HB   ARG  11          2HB       ARG  11  -9.091   8.237   4.186
   84   1HG   ARG  11          1HG       ARG  11  -7.707   9.440   6.577
   85   2HG   ARG  11          2HG       ARG  11  -9.428   9.591   6.230
   86   1HD   ARG  11          1HD       ARG  11  -7.900   7.056   6.801
   87   2HD   ARG  11          2HD       ARG  11  -9.108   7.825   7.826
   88    HE   ARG  11           HE       ARG  11  -9.582   6.128   5.552
   89   1HH1  ARG  11          1HH1      ARG  11 -10.950   8.630   7.588
   90   2HH1  ARG  11          2HH1      ARG  11 -12.586   8.209   7.211
   91   1HH2  ARG  11          1HH2      ARG  11 -11.738   5.580   5.064
   92   2HH2  ARG  11          2HH2      ARG  11 -13.034   6.478   5.780
   93    H    PHE  12           H        PHE  12  -5.072   9.617   3.576
   94    HA   PHE  12           HA       PHE  12  -3.988   9.933   6.287
   95   1HB   PHE  12          1HB       PHE  12  -2.232   9.406   3.918
   96   2HB   PHE  12          2HB       PHE  12  -1.741   9.494   5.594
   97    HD1  PHE  12           HD1      PHE  12  -4.192   7.574   3.533
   98    HD2  PHE  12           HD2      PHE  12  -1.221   7.475   6.577
   99    HE1  PHE  12           HE1      PHE  12  -4.445   5.151   3.686
  100    HE2  PHE  12           HE2      PHE  12  -1.478   5.030   6.740
  101    HZ   PHE  12           HZ       PHE  12  -3.093   3.866   5.277
  102    H    MET  13           H        MET  13  -2.962  11.873   6.706
  103    HA   MET  13           HA       MET  13  -3.692  14.068   5.008
  104   1HB   MET  13          1HB       MET  13  -2.342  13.781   7.660
  105   2HB   MET  13          2HB       MET  13  -2.194  15.305   6.796
  106   1HG   MET  13          1HG       MET  13  -4.927  14.485   6.785
  107   2HG   MET  13          2HG       MET  13  -4.304  14.424   8.433
  108   1HE   MET  13          1HE       MET  13  -5.711  16.669   5.646
  109   2HE   MET  13          2HE       MET  13  -4.000  16.653   5.221
  110   3HE   MET  13          3HE       MET  13  -4.755  18.145   5.781
  111    H    ARG  14           H        ARG  14  -0.845  12.126   5.456
  112    HA   ARG  14           HA       ARG  14   0.802  14.022   3.944
  113   1HB   ARG  14          1HB       ARG  14   1.491  11.543   5.524
  114   2HB   ARG  14          2HB       ARG  14   2.657  12.391   4.522
  115   1HG   ARG  14          1HG       ARG  14   3.074  13.256   6.615
  116   2HG   ARG  14          2HG       ARG  14   1.998  14.466   5.915
  117   1HD   ARG  14          1HD       ARG  14   0.565  14.178   7.587
  118   2HD   ARG  14          2HD       ARG  14   0.401  12.472   7.164
  119    HE   ARG  14           HE       ARG  14   2.756  13.030   8.705
  120   1HH1  ARG  14          1HH1      ARG  14  -0.679  12.371   8.907
  121   2HH1  ARG  14          2HH1      ARG  14  -0.587  11.742  10.517
  122   1HH2  ARG  14          1HH2      ARG  14   2.871  12.202  10.822
  123   2HH2  ARG  14          2HH2      ARG  14   1.429  11.647  11.607
  124    H    SER  15           H        SER  15   2.124  13.218   2.176
  125    HA   SER  15           HA       SER  15   0.621  11.367   0.505
  126   1HB   SER  15          1HB       SER  15   1.093  12.982  -0.939
  127   2HB   SER  15          2HB       SER  15   2.416  13.621   0.034
  128    HG   SER  15           HG       SER  15   3.800  12.468  -1.087
  129    H    ASP  16           H        ASP  16   3.917  11.776   1.776
  130    HA   ASP  16           HA       ASP  16   4.943   9.388   0.625
  131   1HB   ASP  16          1HB       ASP  16   6.156  11.507   1.666
  132   2HB   ASP  16          2HB       ASP  16   6.141  10.503   3.109
  133    H    HIS  17           H        HIS  17   3.748  10.196   3.876
  134    HA   HIS  17           HA       HIS  17   4.211   7.707   5.079
  135   1HB   HIS  17          1HB       HIS  17   2.201   9.881   5.626
  136   2HB   HIS  17          2HB       HIS  17   2.257   8.410   6.585
  137    HD1  HIS  17           HD1      HIS  17   2.750  10.404   8.443
  138    HD2  HIS  17           HD2      HIS  17   5.808   9.398   5.816
  139    HE1  HIS  17           HE1      HIS  17   4.855  11.276   9.499
  140    HE2  HIS  17           HE2      HIS  17   6.682  10.736   7.850
  141    H    LEU  18           H        LEU  18   1.340   8.952   3.386
  142    HA   LEU  18           HA       LEU  18  -0.330   6.747   3.738
  143   1HB   LEU  18          1HB       LEU  18  -0.937   8.993   2.800
  144   2HB   LEU  18          2HB       LEU  18  -0.207   8.503   1.293
  145    HG   LEU  18           HG       LEU  18  -2.360   6.821   2.489
  146   1HD1  LEU  18          1HD1      LEU  18  -3.401   8.925   2.579
  147   2HD1  LEU  18          2HD1      LEU  18  -3.953   8.187   1.076
  148   3HD1  LEU  18          3HD1      LEU  18  -2.694   9.424   1.046
  149   1HD2  LEU  18          1HD2      LEU  18  -1.808   5.700   0.645
  150   2HD2  LEU  18          2HD2      LEU  18  -0.967   7.082  -0.061
  151   3HD2  LEU  18          3HD2      LEU  18  -2.720   6.949  -0.206
  152    H    THR  19           H        THR  19   1.972   7.481   1.131
  153    HA   THR  19           HA       THR  19   1.471   5.202  -0.400
  154    HB   THR  19           HB       THR  19   4.041   6.787  -0.159
  155    HG1  THR  19           HG1      THR  19   2.770   8.231  -1.018
  156   1HG2  THR  19          1HG2      THR  19   4.604   4.795  -1.302
  157   2HG2  THR  19          2HG2      THR  19   4.395   6.049  -2.526
  158   3HG2  THR  19          3HG2      THR  19   3.127   4.851  -2.265
  159    H    LEU  20           H        LEU  20   3.489   5.713   2.436
  160    HA   LEU  20           HA       LEU  20   5.043   3.373   2.306
  161   1HB   LEU  20          1HB       LEU  20   5.357   5.309   3.884
  162   2HB   LEU  20          2HB       LEU  20   4.003   4.700   4.813
  163    HG   LEU  20           HG       LEU  20   5.885   2.576   4.451
  164   1HD1  LEU  20          1HD1      LEU  20   7.801   3.511   5.640
  165   2HD1  LEU  20          2HD1      LEU  20   7.057   5.109   5.591
  166   3HD1  LEU  20          3HD1      LEU  20   7.550   4.320   4.093
  167   1HD2  LEU  20          1HD2      LEU  20   5.863   2.570   6.883
  168   2HD2  LEU  20          2HD2      LEU  20   4.230   2.763   6.248
  169   3HD2  LEU  20          3HD2      LEU  20   5.094   4.158   6.896
  170    H    HIS  21           H        HIS  21   1.793   3.999   3.501
  171    HA   HIS  21           HA       HIS  21   1.288   1.523   4.727
  172   1HB   HIS  21          1HB       HIS  21  -0.653   2.554   5.202
  173   2HB   HIS  21          2HB       HIS  21  -0.105   3.931   4.290
  174    HD1  HIS  21           HD1      HIS  21  -2.019   4.687   2.873
  175    HD2  HIS  21           HD2      HIS  21  -1.690   0.565   2.950
  176    HE1  HIS  21           HE1      HIS  21  -3.890   3.781   1.435
  177    H    ILE  22           H        ILE  22   0.511   2.712   1.503
  178    HA   ILE  22           HA       ILE  22  -0.802   0.481   0.553
  179    HB   ILE  22           HB       ILE  22   0.877   2.242  -1.221
  180   1HG1  ILE  22          1HG1      ILE  22  -1.967   2.890  -0.685
  181   2HG1  ILE  22          2HG1      ILE  22  -0.840   3.288   0.588
  182   1HG2  ILE  22          1HG2      ILE  22  -0.527   0.097  -1.935
  183   2HG2  ILE  22          2HG2      ILE  22  -0.444   1.539  -2.945
  184   3HG2  ILE  22          3HG2      ILE  22  -1.843   1.270  -1.902
  185   1HD1  ILE  22          1HD1      ILE  22   0.321   4.217  -1.766
  186   2HD1  ILE  22          2HD1      ILE  22  -0.423   5.159  -0.474
  187   3HD1  ILE  22          3HD1      ILE  22  -1.386   4.646  -1.857
  188    H    LEU  23           H        LEU  23   2.510   0.652   1.325
  189    HA   LEU  23           HA       LEU  23   3.691  -1.012  -0.557
  190   1HB   LEU  23          1HB       LEU  23   5.462  -1.125   0.858
  191   2HB   LEU  23          2HB       LEU  23   4.613   0.199   1.629
  192    HG   LEU  23           HG       LEU  23   3.534  -1.723   3.068
  193   1HD1  LEU  23          1HD1      LEU  23   4.292  -3.741   2.458
  194   2HD1  LEU  23          2HD1      LEU  23   5.737  -3.296   3.366
  195   3HD1  LEU  23          3HD1      LEU  23   5.691  -3.071   1.617
  196   1HD2  LEU  23          1HD2      LEU  23   4.669  -0.347   4.429
  197   2HD2  LEU  23          2HD2      LEU  23   6.024  -0.193   3.311
  198   3HD2  LEU  23          3HD2      LEU  23   5.913  -1.595   4.375
  199    H    LEU  24           H        LEU  24   1.549  -1.770   2.148
  200    HA   LEU  24           HA       LEU  24   1.910  -4.542   2.276
  201   1HB   LEU  24          1HB       LEU  24  -0.540  -4.581   3.021
  202   2HB   LEU  24          2HB       LEU  24   0.605  -3.681   3.991
  203    HG   LEU  24           HG       LEU  24  -0.350  -1.747   2.290
  204   1HD1  LEU  24          1HD1      LEU  24  -2.716  -3.417   3.092
  205   2HD1  LEU  24          2HD1      LEU  24  -2.052  -3.361   1.460
  206   3HD1  LEU  24          3HD1      LEU  24  -2.723  -1.900   2.191
  207   1HD2  LEU  24          1HD2      LEU  24   0.029  -1.710   4.767
  208   2HD2  LEU  24          2HD2      LEU  24  -1.560  -2.452   4.952
  209   3HD2  LEU  24          3HD2      LEU  24  -1.414  -0.855   4.220
  210    H    HIS  25           H        HIS  25  -0.178  -2.636   0.130
  211    HA   HIS  25           HA       HIS  25  -1.494  -4.817  -1.090
  212   1HB   HIS  25          1HB       HIS  25  -0.928  -2.064  -2.216
  213   2HB   HIS  25          2HB       HIS  25  -2.076  -3.219  -2.882
  214    HD1  HIS  25           HD1      HIS  25  -4.062  -3.904  -1.027
  215    HD2  HIS  25           HD2      HIS  25  -2.028  -0.319  -0.522
  216    HE1  HIS  25           HE1      HIS  25  -5.502  -2.474   0.486
  217    H    GLU  26           H        GLU  26   1.414  -2.989  -2.025
  218    HA   GLU  26           HA       GLU  26   1.892  -4.406  -4.430
  219   1HB   GLU  26          1HB       GLU  26   3.765  -2.825  -2.659
  220   2HB   GLU  26          2HB       GLU  26   4.206  -3.457  -4.237
  221   1HG   GLU  26          1HG       GLU  26   3.378  -1.655  -5.205
  222   2HG   GLU  26          2HG       GLU  26   1.789  -2.007  -4.529
  223    H    ASN  27           H        ASN  27   3.694  -4.579  -1.345
  224    HA   ASN  27           HA       ASN  27   4.452  -7.337  -2.037
  225   1HB   ASN  27          1HB       ASN  27   6.261  -5.588  -1.642
  226   2HB   ASN  27          2HB       ASN  27   5.768  -5.593   0.047
  227   1HD2  ASN  27          1HD2      ASN  27   7.658  -6.410   0.850
  228   2HD2  ASN  27          2HD2      ASN  27   8.201  -8.021   0.545
  229    H    LYS  28           H        LYS  28   3.500  -8.928  -0.963
  230    HA   LYS  28           HA       LYS  28   2.830  -8.619   1.850
  231   1HB   LYS  28          1HB       LYS  28   0.510  -9.660   1.299
  232   2HB   LYS  28          2HB       LYS  28   0.743  -7.928   1.114
  233   1HG   LYS  28          1HG       LYS  28   0.636  -8.015  -1.170
  234   2HG   LYS  28          2HG       LYS  28   1.205  -9.685  -1.243
  235   1HD   LYS  28          1HD       LYS  28  -0.933 -10.479  -0.420
  236   2HD   LYS  28          2HD       LYS  28  -1.505  -8.819  -0.233
  237   1HE   LYS  28          1HE       LYS  28  -0.551  -9.795  -2.896
  238   2HE   LYS  28          2HE       LYS  28  -2.177 -10.189  -2.340
  239   1HZ   LYS  28          1HZ       LYS  28  -2.186  -8.187  -3.672
  240   2HZ   LYS  28          2HZ       LYS  28  -1.059  -7.454  -2.645
  241   3HZ   LYS  28          3HZ       LYS  28  -2.610  -7.817  -2.076
  242    H    LYS  29           H        LYS  29   3.702 -10.327   2.792
  243    HA   LYS  29           HA       LYS  29   4.030 -12.813   1.302
  244   1HB   LYS  29          1HB       LYS  29   5.461 -13.506   3.195
  245   2HB   LYS  29          2HB       LYS  29   5.988 -11.997   2.469
  246   1HG   LYS  29          1HG       LYS  29   5.101 -10.728   4.287
  247   2HG   LYS  29          2HG       LYS  29   4.313 -12.154   4.964
  248   1HD   LYS  29          1HD       LYS  29   6.981 -12.887   4.731
  249   2HD   LYS  29          2HD       LYS  29   7.037 -11.212   5.280
  250   1HE   LYS  29          1HE       LYS  29   5.236 -13.216   6.598
  251   2HE   LYS  29          2HE       LYS  29   6.938 -13.094   7.042
  252   1HZ   LYS  29          1HZ       LYS  29   6.580 -10.752   7.574
  253   2HZ   LYS  29          2HZ       LYS  29   5.576 -11.751   8.497
  254   3HZ   LYS  29          3HZ       LYS  29   4.940 -10.899   7.181
  Start of MODEL   13
    1    H    TYR   1           H        TYR   1  -9.400  13.258   6.327
    2    HA   TYR   1           HA       TYR   1  -7.718  12.084   4.877
    3   1HB   TYR   1          1HB       TYR   1  -9.557  11.145   3.538
    4   2HB   TYR   1          2HB       TYR   1 -10.042  11.383   5.209
    5    HD1  TYR   1           HD1      TYR   1 -10.972  11.847   1.852
    6    HD2  TYR   1           HD2      TYR   1 -11.292  13.670   5.685
    7    HE1  TYR   1           HE1      TYR   1 -12.943  13.100   1.087
    8    HE2  TYR   1           HE2      TYR   1 -13.262  14.929   4.927
    9    HH   TYR   1           HH       TYR   1 -14.044  15.591   2.082
   10    H    LYS   2           H        LYS   2  -6.176  13.505   3.949
   11    HA   LYS   2           HA       LYS   2  -6.812  15.255   1.794
   12   1HB   LYS   2          1HB       LYS   2  -4.237  14.148   2.884
   13   2HB   LYS   2          2HB       LYS   2  -4.259  15.134   1.429
   14   1HG   LYS   2          1HG       LYS   2  -5.723  16.289   3.687
   15   2HG   LYS   2          2HG       LYS   2  -3.991  16.084   3.961
   16   1HD   LYS   2          1HD       LYS   2  -3.472  17.367   1.995
   17   2HD   LYS   2          2HD       LYS   2  -5.176  17.444   1.544
   18   1HE   LYS   2          1HE       LYS   2  -5.428  18.545   3.912
   19   2HE   LYS   2          2HE       LYS   2  -3.711  18.888   3.704
   20   1HZ   LYS   2          1HZ       LYS   2  -5.046  20.722   2.916
   21   2HZ   LYS   2          2HZ       LYS   2  -5.889  19.708   1.858
   22   3HZ   LYS   2          3HZ       LYS   2  -4.242  20.005   1.612
   23    H    PHE   3           H        PHE   3  -5.332  12.012   1.929
   24    HA   PHE   3           HA       PHE   3  -5.861  11.746  -0.955
   25   1HB   PHE   3          1HB       PHE   3  -3.546  11.035   0.725
   26   2HB   PHE   3          2HB       PHE   3  -4.042   9.800  -0.414
   27    HD1  PHE   3           HD1      PHE   3  -3.812  10.133  -2.795
   28    HD2  PHE   3           HD2      PHE   3  -2.714  13.182  -0.037
   29    HE1  PHE   3           HE1      PHE   3  -2.616  11.319  -4.588
   30    HE2  PHE   3           HE2      PHE   3  -1.518  14.374  -1.824
   31    HZ   PHE   3           HZ       PHE   3  -1.467  13.443  -4.104
   32    H    ALA   4           H        ALA   4  -5.980   9.335  -1.591
   33    HA   ALA   4           HA       ALA   4  -7.270   7.639   0.391
   34   1HB   ALA   4          1HB       ALA   4  -9.261   7.266  -0.982
   35   2HB   ALA   4          2HB       ALA   4  -8.696   8.476  -2.134
   36   3HB   ALA   4          3HB       ALA   4  -9.127   8.956  -0.492
   37    H    CYS   5           H        CYS   5  -6.919   5.494   0.011
   38    HA   CYS   5           HA       CYS   5  -5.038   4.785  -2.018
   39   1HB   CYS   5          1HB       CYS   5  -5.298   3.747   0.326
   40   2HB   CYS   5          2HB       CYS   5  -6.597   2.800  -0.382
   41    HG   CYS   5           HG       CYS   5  -4.884   1.253  -1.165
   42    HA   PRO   6           HA       PRO   6  -7.914   3.664  -5.210
   43   1HB   PRO   6          1HB       PRO   6  -6.235   2.326  -6.837
   44   2HB   PRO   6          2HB       PRO   6  -6.155   4.081  -6.644
   45   1HG   PRO   6          1HG       PRO   6  -4.461   1.958  -5.386
   46   2HG   PRO   6          2HG       PRO   6  -3.972   3.516  -6.077
   47   1HD   PRO   6          1HD       PRO   6  -4.284   3.087  -3.401
   48   2HD   PRO   6          2HD       PRO   6  -4.509   4.670  -4.173
   49    H    GLU   7           H        GLU   7  -6.163   1.343  -3.307
   50    HA   GLU   7           HA       GLU   7  -7.732  -0.887  -4.366
   51   1HB   GLU   7          1HB       GLU   7  -5.161  -0.620  -2.891
   52   2HB   GLU   7          2HB       GLU   7  -6.099  -2.079  -2.630
   53   1HG   GLU   7          1HG       GLU   7  -4.636  -2.636  -4.349
   54   2HG   GLU   7          2HG       GLU   7  -6.154  -2.287  -5.174
   55    H    CYS   8           H        CYS   8  -6.881   0.656  -1.262
   56    HA   CYS   8           HA       CYS   8  -9.247  -0.631  -0.061
   57   1HB   CYS   8          1HB       CYS   8  -8.133  -0.586   2.059
   58   2HB   CYS   8          2HB       CYS   8  -7.027  -1.286   0.890
   59    HG   CYS   8           HG       CYS   8  -5.463   0.599   1.203
   60    HA   PRO   9           HA       PRO   9 -10.771   3.380   0.984
   61   1HB   PRO   9          1HB       PRO   9 -12.233   2.879   3.167
   62   2HB   PRO   9          2HB       PRO   9 -12.617   2.141   1.609
   63   1HG   PRO   9          1HG       PRO   9 -11.344   0.941   4.009
   64   2HG   PRO   9          2HG       PRO   9 -12.386   0.188   2.790
   65   1HD   PRO   9          1HD       PRO   9  -9.557   0.081   2.920
   66   2HD   PRO   9          2HD       PRO   9 -10.584  -0.488   1.594
   67    H    LYS  10           H        LYS  10  -8.018   3.073   2.029
   68    HA   LYS  10           HA       LYS  10  -8.097   4.209   4.692
   69   1HB   LYS  10          1HB       LYS  10  -5.740   3.699   2.863
   70   2HB   LYS  10          2HB       LYS  10  -5.631   4.250   4.511
   71   1HG   LYS  10          1HG       LYS  10  -7.173   1.782   4.133
   72   2HG   LYS  10          2HG       LYS  10  -5.450   1.674   3.774
   73   1HD   LYS  10          1HD       LYS  10  -6.062   3.105   6.255
   74   2HD   LYS  10          2HD       LYS  10  -6.566   1.414   6.258
   75   1HE   LYS  10          1HE       LYS  10  -3.820   2.222   5.362
   76   2HE   LYS  10          2HE       LYS  10  -4.191   1.989   7.069
   77   1HZ   LYS  10          1HZ       LYS  10  -3.305  -0.027   6.161
   78   2HZ   LYS  10          2HZ       LYS  10  -4.445  -0.036   4.912
   79   3HZ   LYS  10          3HZ       LYS  10  -4.943  -0.275   6.510
   80    H    ARG  11           H        ARG  11  -7.020   6.235   5.205
   81    HA   ARG  11           HA       ARG  11  -6.825   8.190   3.044
   82   1HB   ARG  11          1HB       ARG  11  -8.211   9.792   4.533
   83   2HB   ARG  11          2HB       ARG  11  -9.061   8.613   3.546
   84   1HG   ARG  11          1HG       ARG  11  -9.443   7.201   5.437
   85   2HG   ARG  11          2HG       ARG  11  -8.404   8.202   6.455
   86   1HD   ARG  11          1HD       ARG  11  -9.947   9.945   6.526
   87   2HD   ARG  11          2HD       ARG  11 -10.810   9.366   5.102
   88    HE   ARG  11           HE       ARG  11 -11.030   7.428   7.103
   89   1HH1  ARG  11          1HH1      ARG  11 -12.093  10.704   6.476
   90   2HH1  ARG  11          2HH1      ARG  11 -13.532  10.548   7.425
   91   1HH2  ARG  11          1HH2      ARG  11 -12.923   7.231   8.355
   92   2HH2  ARG  11          2HH2      ARG  11 -14.002   8.579   8.494
   93    H    PHE  12           H        PHE  12  -5.188   9.593   3.353
   94    HA   PHE  12           HA       PHE  12  -4.170   9.987   6.081
   95   1HB   PHE  12          1HB       PHE  12  -2.352   9.470   3.759
   96   2HB   PHE  12          2HB       PHE  12  -1.908   9.572   5.447
   97    HD1  PHE  12           HD1      PHE  12  -4.284   7.604   3.342
   98    HD2  PHE  12           HD2      PHE  12  -1.365   7.568   6.436
   99    HE1  PHE  12           HE1      PHE  12  -4.501   5.177   3.505
  100    HE2  PHE  12           HE2      PHE  12  -1.586   5.120   6.609
  101    HZ   PHE  12           HZ       PHE  12  -3.157   3.923   5.128
  102    H    MET  13           H        MET  13  -3.127  11.935   6.471
  103    HA   MET  13           HA       MET  13  -3.851  14.088   4.699
  104   1HB   MET  13          1HB       MET  13  -2.859  15.549   6.422
  105   2HB   MET  13          2HB       MET  13  -4.036  14.432   7.095
  106   1HG   MET  13          1HG       MET  13  -2.364  13.100   8.078
  107   2HG   MET  13          2HG       MET  13  -1.088  13.875   7.141
  108   1HE   MET  13          1HE       MET  13  -2.915  13.721  10.438
  109   2HE   MET  13          2HE       MET  13  -1.762  14.725  11.319
  110   3HE   MET  13          3HE       MET  13  -1.191  13.357  10.364
  111    H    ARG  14           H        ARG  14  -1.041  12.151   5.272
  112    HA   ARG  14           HA       ARG  14   0.691  14.026   3.832
  113   1HB   ARG  14          1HB       ARG  14   1.311  11.500   5.372
  114   2HB   ARG  14          2HB       ARG  14   2.512  12.440   4.500
  115   1HG   ARG  14          1HG       ARG  14   1.414  14.367   6.039
  116   2HG   ARG  14          2HG       ARG  14   1.216  12.959   7.084
  117   1HD   ARG  14          1HD       ARG  14   3.317  13.954   7.609
  118   2HD   ARG  14          2HD       ARG  14   3.639  12.457   6.732
  119    HE   ARG  14           HE       ARG  14   3.583  14.476   4.843
  120   1HH1  ARG  14          1HH1      ARG  14   5.493  13.663   7.662
  121   2HH1  ARG  14          2HH1      ARG  14   6.926  14.428   7.063
  122   1HH2  ARG  14          1HH2      ARG  14   5.473  15.481   4.058
  123   2HH2  ARG  14          2HH2      ARG  14   6.915  15.460   5.016
  124    H    SER  15           H        SER  15   2.052  13.217   2.100
  125    HA   SER  15           HA       SER  15   0.594  11.346   0.401
  126   1HB   SER  15          1HB       SER  15   1.133  12.755  -1.202
  127   2HB   SER  15          2HB       SER  15   2.069  13.729  -0.072
  128    HG   SER  15           HG       SER  15   3.876  12.825  -0.767
  129    H    ASP  16           H        ASP  16   3.863  11.819   1.719
  130    HA   ASP  16           HA       ASP  16   4.939   9.444   0.583
  131   1HB   ASP  16          1HB       ASP  16   6.070  11.610   1.711
  132   2HB   ASP  16          2HB       ASP  16   6.147  10.495   3.069
  133    H    HIS  17           H        HIS  17   3.754  10.246   3.845
  134    HA   HIS  17           HA       HIS  17   4.229   7.755   5.037
  135   1HB   HIS  17          1HB       HIS  17   2.244   9.944   5.608
  136   2HB   HIS  17          2HB       HIS  17   2.259   8.457   6.546
  137    HD1  HIS  17           HD1      HIS  17   2.778  10.534   8.372
  138    HD2  HIS  17           HD2      HIS  17   5.845   9.248   5.881
  139    HE1  HIS  17           HE1      HIS  17   4.904  11.307   9.469
  140    HE2  HIS  17           HE2      HIS  17   6.750  10.437   7.991
  141    H    LEU  18           H        LEU  18   1.373   8.985   3.317
  142    HA   LEU  18           HA       LEU  18  -0.312   6.788   3.698
  143   1HB   LEU  18          1HB       LEU  18  -0.919   9.015   2.738
  144   2HB   LEU  18          2HB       LEU  18  -0.147   8.538   1.249
  145    HG   LEU  18           HG       LEU  18  -2.343   6.865   2.388
  146   1HD1  LEU  18          1HD1      LEU  18  -3.454   8.900   2.390
  147   2HD1  LEU  18          2HD1      LEU  18  -3.819   8.249   0.794
  148   3HD1  LEU  18          3HD1      LEU  18  -2.575   9.486   0.981
  149   1HD2  LEU  18          1HD2      LEU  18  -1.761   5.706   0.582
  150   2HD2  LEU  18          2HD2      LEU  18  -0.831   7.048  -0.088
  151   3HD2  LEU  18          3HD2      LEU  18  -2.575   6.977  -0.335
  152    H    THR  19           H        THR  19   2.017   7.485   1.102
  153    HA   THR  19           HA       THR  19   1.521   5.203  -0.418
  154    HB   THR  19           HB       THR  19   4.113   6.742  -0.134
  155    HG1  THR  19           HG1      THR  19   2.868   8.201  -1.014
  156   1HG2  THR  19          1HG2      THR  19   4.671   4.741  -1.251
  157   2HG2  THR  19          2HG2      THR  19   4.487   5.977  -2.497
  158   3HG2  THR  19          3HG2      THR  19   3.206   4.795  -2.231
  159    H    LEU  20           H        LEU  20   3.512   5.705   2.443
  160    HA   LEU  20           HA       LEU  20   5.044   3.362   2.373
  161   1HB   LEU  20          1HB       LEU  20   5.357   5.237   3.974
  162   2HB   LEU  20          2HB       LEU  20   3.896   4.750   4.804
  163    HG   LEU  20           HG       LEU  20   6.090   4.062   5.862
  164   1HD1  LEU  20          1HD1      LEU  20   5.050   2.356   6.895
  165   2HD1  LEU  20          2HD1      LEU  20   4.613   1.559   5.384
  166   3HD1  LEU  20          3HD1      LEU  20   3.662   2.925   5.967
  167   1HD2  LEU  20          1HD2      LEU  20   7.120   3.373   3.670
  168   2HD2  LEU  20          2HD2      LEU  20   6.097   1.938   3.731
  169   3HD2  LEU  20          3HD2      LEU  20   7.299   2.218   4.991
  170    H    HIS  21           H        HIS  21   1.787   3.986   3.570
  171    HA   HIS  21           HA       HIS  21   1.224   1.494   4.702
  172   1HB   HIS  21          1HB       HIS  21  -0.717   2.527   5.147
  173   2HB   HIS  21          2HB       HIS  21  -0.131   3.919   4.283
  174    HD1  HIS  21           HD1      HIS  21  -1.961   4.732   2.802
  175    HD2  HIS  21           HD2      HIS  21  -1.769   0.596   2.886
  176    HE1  HIS  21           HE1      HIS  21  -3.815   3.896   1.305
  177    H    ILE  22           H        ILE  22   0.605   2.697   1.444
  178    HA   ILE  22           HA       ILE  22  -0.714   0.430   0.497
  179    HB   ILE  22           HB       ILE  22   0.926   2.200  -1.298
  180   1HG1  ILE  22          1HG1      ILE  22  -1.902   2.885  -0.741
  181   2HG1  ILE  22          2HG1      ILE  22  -0.762   3.273   0.528
  182   1HG2  ILE  22          1HG2      ILE  22  -0.609   0.045  -1.887
  183   2HG2  ILE  22          2HG2      ILE  22  -0.334   1.395  -2.989
  184   3HG2  ILE  22          3HG2      ILE  22  -1.798   1.343  -2.002
  185   1HD1  ILE  22          1HD1      ILE  22  -1.283   4.607  -1.951
  186   2HD1  ILE  22          2HD1      ILE  22   0.422   4.181  -1.810
  187   3HD1  ILE  22          3HD1      ILE  22  -0.354   5.142  -0.553
  188    H    LEU  23           H        LEU  23   2.530   0.582   1.387
  189    HA   LEU  23           HA       LEU  23   3.770  -0.998  -0.571
  190   1HB   LEU  23          1HB       LEU  23   4.342  -0.234   2.212
  191   2HB   LEU  23          2HB       LEU  23   5.045  -1.759   1.719
  192    HG   LEU  23           HG       LEU  23   6.092  -0.572  -0.224
  193   1HD1  LEU  23          1HD1      LEU  23   4.601   1.336  -0.356
  194   2HD1  LEU  23          2HD1      LEU  23   6.263   1.871  -0.106
  195   3HD1  LEU  23          3HD1      LEU  23   5.122   1.878   1.238
  196   1HD2  LEU  23          1HD2      LEU  23   7.371  -1.082   1.775
  197   2HD2  LEU  23          2HD2      LEU  23   6.809   0.407   2.536
  198   3HD2  LEU  23          3HD2      LEU  23   7.855   0.482   1.118
  199    H    LEU  24           H        LEU  24   1.760  -1.874   2.228
  200    HA   LEU  24           HA       LEU  24   2.312  -4.641   2.199
  201   1HB   LEU  24          1HB       LEU  24  -0.242  -4.693   3.038
  202   2HB   LEU  24          2HB       LEU  24   1.130  -4.354   4.066
  203    HG   LEU  24           HG       LEU  24   0.680  -1.901   3.648
  204   1HD1  LEU  24          1HD1      LEU  24  -0.697  -1.782   1.779
  205   2HD1  LEU  24          2HD1      LEU  24  -1.829  -1.543   3.109
  206   3HD1  LEU  24          3HD1      LEU  24  -1.713  -3.117   2.321
  207   1HD2  LEU  24          1HD2      LEU  24  -1.650  -3.192   4.977
  208   2HD2  LEU  24          2HD2      LEU  24  -0.689  -1.803   5.488
  209   3HD2  LEU  24          3HD2      LEU  24  -0.024  -3.433   5.617
  210    H    HIS  25           H        HIS  25   0.083  -2.721   0.267
  211    HA   HIS  25           HA       HIS  25  -1.426  -4.824  -0.834
  212   1HB   HIS  25          1HB       HIS  25  -0.729  -2.101  -1.947
  213   2HB   HIS  25          2HB       HIS  25  -1.866  -3.204  -2.715
  214    HD1  HIS  25           HD1      HIS  25  -3.765  -4.056  -0.667
  215    HD2  HIS  25           HD2      HIS  25  -2.069  -0.267  -0.562
  216    HE1  HIS  25           HE1      HIS  25  -5.298  -2.629   0.750
  217    H    GLU  26           H        GLU  26   1.612  -3.325  -1.870
  218    HA   GLU  26           HA       GLU  26   1.860  -4.789  -4.290
  219   1HB   GLU  26          1HB       GLU  26   4.099  -3.579  -2.660
  220   2HB   GLU  26          2HB       GLU  26   4.123  -3.956  -4.376
  221   1HG   GLU  26          1HG       GLU  26   2.664  -1.755  -2.960
  222   2HG   GLU  26          2HG       GLU  26   3.844  -1.640  -4.263
  223    H    ASN  27           H        ASN  27   3.203  -5.259  -1.030
  224    HA   ASN  27           HA       ASN  27   3.727  -8.066  -1.744
  225   1HB   ASN  27          1HB       ASN  27   5.573  -6.072  -0.509
  226   2HB   ASN  27          2HB       ASN  27   5.662  -7.739   0.052
  227   1HD2  ASN  27          1HD2      ASN  27   6.416  -9.330  -1.321
  228   2HD2  ASN  27          2HD2      ASN  27   7.200  -8.973  -2.818
  229    H    LYS  28           H        LYS  28   2.069  -9.020  -0.693
  230    HA   LYS  28           HA       LYS  28   1.639  -8.335   2.136
  231   1HB   LYS  28          1HB       LYS  28  -0.164  -8.742  -0.010
  232   2HB   LYS  28          2HB       LYS  28  -0.383 -10.092   1.092
  233   1HG   LYS  28          1HG       LYS  28  -0.341  -7.274   2.099
  234   2HG   LYS  28          2HG       LYS  28  -1.809  -7.985   1.426
  235   1HD   LYS  28          1HD       LYS  28  -1.540  -9.866   3.062
  236   2HD   LYS  28          2HD       LYS  28  -0.226  -8.951   3.804
  237   1HE   LYS  28          1HE       LYS  28  -2.985  -7.813   3.434
  238   2HE   LYS  28          2HE       LYS  28  -2.526  -8.731   4.867
  239   1HZ   LYS  28          1HZ       LYS  28  -0.702  -7.105   5.194
  240   2HZ   LYS  28          2HZ       LYS  28  -2.244  -6.424   5.325
  241   3HZ   LYS  28          3HZ       LYS  28  -1.332  -6.183   3.921
  242    H    LYS  29           H        LYS  29   3.779  -9.682   2.172
  243    HA   LYS  29           HA       LYS  29   3.022 -12.438   2.859
  244   1HB   LYS  29          1HB       LYS  29   5.372 -11.547   1.196
  245   2HB   LYS  29          2HB       LYS  29   5.343 -13.103   2.015
  246   1HG   LYS  29          1HG       LYS  29   3.266 -13.657   0.779
  247   2HG   LYS  29          2HG       LYS  29   3.440 -12.144  -0.111
  248   1HD   LYS  29          1HD       LYS  29   5.687 -12.924  -0.860
  249   2HD   LYS  29          2HD       LYS  29   5.350 -14.478  -0.094
  250   1HE   LYS  29          1HE       LYS  29   3.385 -14.750  -1.540
  251   2HE   LYS  29          2HE       LYS  29   3.747 -13.208  -2.313
  252   1HZ   LYS  29          1HZ       LYS  29   5.488 -15.616  -2.339
  253   2HZ   LYS  29          2HZ       LYS  29   5.858 -14.132  -3.065
  254   3HZ   LYS  29          3HZ       LYS  29   4.556 -15.051  -3.633
  Start of MODEL   14
    1    H    TYR   1           H        TYR   1  -9.695  15.573   3.952
    2    HA   TYR   1           HA       TYR   1  -8.350  13.656   4.726
    3   1HB   TYR   1          1HB       TYR   1  -9.848  12.289   2.475
    4   2HB   TYR   1          2HB       TYR   1  -8.551  11.594   3.440
    5    HD1  TYR   1           HD1      TYR   1 -11.835  11.214   2.936
    6    HD2  TYR   1           HD2      TYR   1  -9.222  12.144   6.163
    7    HE1  TYR   1           HE1      TYR   1 -13.499  10.350   4.525
    8    HE2  TYR   1           HE2      TYR   1 -10.879  11.281   7.760
    9    HH   TYR   1           HH       TYR   1 -13.067   9.342   7.276
   10    H    LYS   2           H        LYS   2  -6.349  13.505   3.716
   11    HA   LYS   2           HA       LYS   2  -5.962  15.326   1.505
   12   1HB   LYS   2          1HB       LYS   2  -4.419  15.345   3.417
   13   2HB   LYS   2          2HB       LYS   2  -3.950  13.690   3.059
   14   1HG   LYS   2          1HG       LYS   2  -2.228  14.924   2.142
   15   2HG   LYS   2          2HG       LYS   2  -3.269  14.616   0.752
   16   1HD   LYS   2          1HD       LYS   2  -4.309  16.946   1.709
   17   2HD   LYS   2          2HD       LYS   2  -2.597  17.140   2.088
   18   1HE   LYS   2          1HE       LYS   2  -3.649  16.367  -0.629
   19   2HE   LYS   2          2HE       LYS   2  -3.280  18.023  -0.152
   20   1HZ   LYS   2          1HZ       LYS   2  -1.423  17.112  -1.326
   21   2HZ   LYS   2          2HZ       LYS   2  -1.366  15.758  -0.316
   22   3HZ   LYS   2          3HZ       LYS   2  -0.981  17.287   0.298
   23    H    PHE   3           H        PHE   3  -4.832  11.966   2.082
   24    HA   PHE   3           HA       PHE   3  -5.027  11.535  -0.824
   25   1HB   PHE   3          1HB       PHE   3  -2.950  10.880   1.143
   26   2HB   PHE   3          2HB       PHE   3  -3.384   9.545   0.097
   27    HD1  PHE   3           HD1      PHE   3  -2.207   9.309  -1.858
   28    HD2  PHE   3           HD2      PHE   3  -2.653  13.189  -0.168
   29    HE1  PHE   3           HE1      PHE   3  -0.799  10.246  -3.644
   30    HE2  PHE   3           HE2      PHE   3  -1.248  14.133  -1.952
   31    HZ   PHE   3           HZ       PHE   3  -0.319  12.661  -3.695
   32    H    ALA   4           H        ALA   4  -5.383   9.244  -1.467
   33    HA   ALA   4           HA       ALA   4  -6.765   7.542   0.427
   34   1HB   ALA   4          1HB       ALA   4  -8.571   9.011  -0.243
   35   2HB   ALA   4          2HB       ALA   4  -8.825   7.403  -0.920
   36   3HB   ALA   4          3HB       ALA   4  -8.223   8.706  -1.945
   37    H    CYS   5           H        CYS   5  -6.472   5.435  -0.064
   38    HA   CYS   5           HA       CYS   5  -4.807   4.724  -2.268
   39   1HB   CYS   5          1HB       CYS   5  -4.944   3.584   0.029
   40   2HB   CYS   5          2HB       CYS   5  -6.372   2.770  -0.587
   41    HG   CYS   5           HG       CYS   5  -3.670   2.398  -2.062
   42    HA   PRO   6           HA       PRO   6  -8.016   3.996  -5.261
   43   1HB   PRO   6          1HB       PRO   6  -6.556   2.705  -7.128
   44   2HB   PRO   6          2HB       PRO   6  -6.383   4.438  -6.829
   45   1HG   PRO   6          1HG       PRO   6  -4.675   2.173  -5.874
   46   2HG   PRO   6          2HG       PRO   6  -4.184   3.753  -6.512
   47   1HD   PRO   6          1HD       PRO   6  -4.257   3.168  -3.851
   48   2HD   PRO   6          2HD       PRO   6  -4.504   4.804  -4.498
   49    H    GLU   7           H        GLU   7  -6.299   1.507  -3.596
   50    HA   GLU   7           HA       GLU   7  -8.021  -0.592  -4.701
   51   1HB   GLU   7          1HB       GLU   7  -5.422  -0.747  -4.452
   52   2HB   GLU   7          2HB       GLU   7  -5.784  -1.093  -2.768
   53   1HG   GLU   7          1HG       GLU   7  -7.335  -2.917  -3.668
   54   2HG   GLU   7          2HG       GLU   7  -6.498  -2.685  -5.203
   55    H    CYS   8           H        CYS   8  -6.974   0.799  -1.589
   56    HA   CYS   8           HA       CYS   8  -9.345  -0.438  -0.341
   57   1HB   CYS   8          1HB       CYS   8  -8.132  -0.521   1.748
   58   2HB   CYS   8          2HB       CYS   8  -7.187  -1.311   0.496
   59    HG   CYS   8           HG       CYS   8  -5.412   0.389   0.725
   60    HA   PRO   9           HA       PRO   9 -10.578   3.605   0.951
   61   1HB   PRO   9          1HB       PRO   9 -12.099   3.066   3.067
   62   2HB   PRO   9          2HB       PRO   9 -12.487   2.405   1.474
   63   1HG   PRO   9          1HG       PRO   9 -11.257   1.065   3.834
   64   2HG   PRO   9          2HG       PRO   9 -12.372   0.410   2.623
   65   1HD   PRO   9          1HD       PRO   9  -9.564   0.117   2.666
   66   2HD   PRO   9          2HD       PRO   9 -10.649  -0.300   1.329
   67    H    LYS  10           H        LYS  10  -7.859   3.248   1.901
   68    HA   LYS  10           HA       LYS  10  -7.916   4.165   4.667
   69   1HB   LYS  10          1HB       LYS  10  -5.451   3.853   2.955
   70   2HB   LYS  10          2HB       LYS  10  -5.554   3.907   4.689
   71   1HG   LYS  10          1HG       LYS  10  -7.073   1.726   3.473
   72   2HG   LYS  10          2HG       LYS  10  -5.327   1.644   3.239
   73   1HD   LYS  10          1HD       LYS  10  -6.261   2.291   5.969
   74   2HD   LYS  10          2HD       LYS  10  -6.574   0.650   5.397
   75   1HE   LYS  10          1HE       LYS  10  -4.159   0.482   4.789
   76   2HE   LYS  10          2HE       LYS  10  -3.908   2.045   5.563
   77   1HZ   LYS  10          1HZ       LYS  10  -3.369   0.219   7.049
   78   2HZ   LYS  10          2HZ       LYS  10  -4.937  -0.397   6.904
   79   3HZ   LYS  10          3HZ       LYS  10  -4.683   1.102   7.646
   80    H    ARG  11           H        ARG  11  -7.068   6.152   5.342
   81    HA   ARG  11           HA       ARG  11  -6.604   8.187   3.280
   82   1HB   ARG  11          1HB       ARG  11  -8.025   9.787   4.605
   83   2HB   ARG  11          2HB       ARG  11  -8.914   8.508   3.790
   84   1HG   ARG  11          1HG       ARG  11  -8.289   7.541   6.361
   85   2HG   ARG  11          2HG       ARG  11  -8.868   9.195   6.562
   86   1HD   ARG  11          1HD       ARG  11 -10.965   8.689   5.863
   87   2HD   ARG  11          2HD       ARG  11 -10.404   7.488   4.703
   88    HE   ARG  11           HE       ARG  11 -10.704   5.878   6.290
   89   1HH1  ARG  11          1HH1      ARG  11 -10.617   8.984   7.906
   90   2HH1  ARG  11          2HH1      ARG  11 -11.040   8.329   9.450
   91   1HH2  ARG  11          1HH2      ARG  11 -11.262   5.022   8.329
   92   2HH2  ARG  11          2HH2      ARG  11 -11.405   6.081   9.692
   93    H    PHE  12           H        PHE  12  -4.911   9.471   3.716
   94    HA   PHE  12           HA       PHE  12  -3.954   9.632   6.494
   95   1HB   PHE  12          1HB       PHE  12  -2.180   9.319   4.098
   96   2HB   PHE  12          2HB       PHE  12  -1.664   9.362   5.765
   97    HD1  PHE  12           HD1      PHE  12  -4.169   7.459   3.774
   98    HD2  PHE  12           HD2      PHE  12  -0.984   7.306   6.583
   99    HE1  PHE  12           HE1      PHE  12  -4.379   5.032   3.858
  100    HE2  PHE  12           HE2      PHE  12  -1.194   4.849   6.674
  101    HZ   PHE  12           HZ       PHE  12  -2.904   3.713   5.294
  102    H    MET  13           H        MET  13  -2.924  11.532   7.103
  103    HA   MET  13           HA       MET  13  -3.803  13.893   5.812
  104   1HB   MET  13          1HB       MET  13  -1.808  13.421   8.026
  105   2HB   MET  13          2HB       MET  13  -2.243  15.028   7.462
  106   1HG   MET  13          1HG       MET  13  -4.629  14.461   7.993
  107   2HG   MET  13          2HG       MET  13  -4.029  12.994   8.764
  108   1HE   MET  13          1HE       MET  13  -4.951  14.491  11.844
  109   2HE   MET  13          2HE       MET  13  -3.548  13.423  11.858
  110   3HE   MET  13          3HE       MET  13  -4.866  13.131  10.724
  111    H    ARG  14           H        ARG  14  -0.773  12.101   5.724
  112    HA   ARG  14           HA       ARG  14   0.433  14.159   4.021
  113   1HB   ARG  14          1HB       ARG  14   1.514  11.899   5.650
  114   2HB   ARG  14          2HB       ARG  14   2.442  12.467   4.270
  115   1HG   ARG  14          1HG       ARG  14   3.169  14.245   5.379
  116   2HG   ARG  14          2HG       ARG  14   1.540  14.672   5.905
  117   1HD   ARG  14          1HD       ARG  14   2.058  14.026   7.963
  118   2HD   ARG  14          2HD       ARG  14   2.301  12.382   7.368
  119    HE   ARG  14           HE       ARG  14   4.648  13.566   6.787
  120   1HH1  ARG  14          1HH1      ARG  14   2.764  13.420   9.738
  121   2HH1  ARG  14          2HH1      ARG  14   4.149  13.528  10.770
  122   1HH2  ARG  14          1HH2      ARG  14   6.464  13.706   8.153
  123   2HH2  ARG  14          2HH2      ARG  14   6.251  13.692   9.871
  124    H    SER  15           H        SER  15   1.707  13.395   2.144
  125    HA   SER  15           HA       SER  15   0.095  11.576   0.551
  126   1HB   SER  15          1HB       SER  15   0.846  12.656  -1.258
  127   2HB   SER  15          2HB       SER  15   1.221  13.922  -0.095
  128    HG   SER  15           HG       SER  15   2.905  12.333  -1.577
  129    H    ASP  16           H        ASP  16   3.459  11.892   1.640
  130    HA   ASP  16           HA       ASP  16   4.350   9.480   0.428
  131   1HB   ASP  16          1HB       ASP  16   6.411   9.860   1.513
  132   2HB   ASP  16          2HB       ASP  16   5.775  11.470   1.205
  133    H    HIS  17           H        HIS  17   2.881  10.263   3.505
  134    HA   HIS  17           HA       HIS  17   3.543   7.885   4.875
  135   1HB   HIS  17          1HB       HIS  17   1.484  10.022   5.233
  136   2HB   HIS  17          2HB       HIS  17   1.337   8.529   6.146
  137    HD1  HIS  17           HD1      HIS  17   1.819   9.678   8.378
  138    HD2  HIS  17           HD2      HIS  17   4.858  10.115   5.581
  139    HE1  HIS  17           HE1      HIS  17   3.764  10.615   9.643
  140    HE2  HIS  17           HE2      HIS  17   5.565  10.966   7.918
  141    H    LEU  18           H        LEU  18   0.505   8.831   3.214
  142    HA   LEU  18           HA       LEU  18  -0.781   6.358   3.494
  143   1HB   LEU  18          1HB       LEU  18  -1.847   8.485   2.761
  144   2HB   LEU  18          2HB       LEU  18  -1.076   8.306   1.210
  145    HG   LEU  18           HG       LEU  18  -2.839   6.121   2.235
  146   1HD1  LEU  18          1HD1      LEU  18  -3.745   8.739   1.985
  147   2HD1  LEU  18          2HD1      LEU  18  -4.720   7.271   2.083
  148   3HD1  LEU  18          3HD1      LEU  18  -4.259   7.921   0.511
  149   1HD2  LEU  18          1HD2      LEU  18  -1.927   5.395   0.296
  150   2HD2  LEU  18          2HD2      LEU  18  -1.733   7.026  -0.356
  151   3HD2  LEU  18          3HD2      LEU  18  -3.320   6.256  -0.361
  152    H    THR  19           H        THR  19   1.334   7.620   0.948
  153    HA   THR  19           HA       THR  19   1.117   5.440  -0.785
  154    HB   THR  19           HB       THR  19   3.399   7.390  -0.400
  155    HG1  THR  19           HG1      THR  19   1.877   8.616  -1.202
  156   1HG2  THR  19          1HG2      THR  19   2.900   5.428  -2.618
  157   2HG2  THR  19          2HG2      THR  19   4.345   5.607  -1.622
  158   3HG2  THR  19          3HG2      THR  19   3.923   6.853  -2.795
  159    H    LEU  20           H        LEU  20   3.114   5.997   2.060
  160    HA   LEU  20           HA       LEU  20   4.902   3.825   1.692
  161   1HB   LEU  20          1HB       LEU  20   5.135   5.771   3.311
  162   2HB   LEU  20          2HB       LEU  20   3.984   4.943   4.339
  163    HG   LEU  20           HG       LEU  20   5.637   2.960   4.245
  164   1HD1  LEU  20          1HD1      LEU  20   7.021   3.794   2.430
  165   2HD1  LEU  20          2HD1      LEU  20   7.973   3.616   3.904
  166   3HD1  LEU  20          3HD1      LEU  20   7.442   5.216   3.385
  167   1HD2  LEU  20          1HD2      LEU  20   6.911   3.877   6.116
  168   2HD2  LEU  20          2HD2      LEU  20   5.203   4.296   6.241
  169   3HD2  LEU  20          3HD2      LEU  20   6.369   5.502   5.694
  170    H    HIS  21           H        HIS  21   1.709   4.141   3.106
  171    HA   HIS  21           HA       HIS  21   1.503   1.652   4.369
  172   1HB   HIS  21          1HB       HIS  21  -0.500   2.486   4.929
  173   2HB   HIS  21          2HB       HIS  21  -0.108   3.910   4.006
  174    HD1  HIS  21           HD1      HIS  21  -2.205   4.500   2.784
  175    HD2  HIS  21           HD2      HIS  21  -1.413   0.448   2.606
  176    HE1  HIS  21           HE1      HIS  21  -4.009   3.470   1.360
  177    H    ILE  22           H        ILE  22   0.484   2.717   1.163
  178    HA   ILE  22           HA       ILE  22  -0.754   0.425   0.297
  179    HB   ILE  22           HB       ILE  22   0.829   2.165  -1.587
  180   1HG1  ILE  22          1HG1      ILE  22  -2.017   2.758  -0.975
  181   2HG1  ILE  22          2HG1      ILE  22  -0.848   3.254   0.225
  182   1HG2  ILE  22          1HG2      ILE  22  -0.440  -0.007  -2.269
  183   2HG2  ILE  22          2HG2      ILE  22  -0.661   1.457  -3.225
  184   3HG2  ILE  22          3HG2      ILE  22  -1.884   0.983  -2.041
  185   1HD1  ILE  22          1HD1      ILE  22  -1.419   4.336  -2.418
  186   2HD1  ILE  22          2HD1      ILE  22   0.296   4.174  -2.045
  187   3HD1  ILE  22          3HD1      ILE  22  -0.752   5.114  -0.985
  188    H    LEU  23           H        LEU  23   2.615   0.782   0.850
  189    HA   LEU  23           HA       LEU  23   3.634  -1.099  -0.968
  190   1HB   LEU  23          1HB       LEU  23   5.247   0.180   0.097
  191   2HB   LEU  23          2HB       LEU  23   4.523  -0.055   1.668
  192    HG   LEU  23           HG       LEU  23   5.288  -2.468   1.540
  193   1HD1  LEU  23          1HD1      LEU  23   6.820  -1.357  -0.803
  194   2HD1  LEU  23          2HD1      LEU  23   5.656  -2.683  -0.817
  195   3HD1  LEU  23          3HD1      LEU  23   7.201  -2.876   0.009
  196   1HD2  LEU  23          1HD2      LEU  23   7.624  -1.893   2.130
  197   2HD2  LEU  23          2HD2      LEU  23   6.429  -0.884   2.946
  198   3HD2  LEU  23          3HD2      LEU  23   7.326  -0.249   1.567
  199    H    LEU  24           H        LEU  24   1.791  -1.439   1.962
  200    HA   LEU  24           HA       LEU  24   2.390  -4.065   2.716
  201   1HB   LEU  24          1HB       LEU  24  -0.341  -2.790   2.881
  202   2HB   LEU  24          2HB       LEU  24   0.286  -4.080   3.885
  203    HG   LEU  24           HG       LEU  24   1.774  -1.520   3.979
  204   1HD1  LEU  24          1HD1      LEU  24   0.218  -0.339   5.271
  205   2HD1  LEU  24          2HD1      LEU  24  -0.808  -1.755   5.496
  206   3HD1  LEU  24          3HD1      LEU  24  -0.732  -0.963   3.921
  207   1HD2  LEU  24          1HD2      LEU  24   0.819  -3.463   6.078
  208   2HD2  LEU  24          2HD2      LEU  24   1.900  -2.096   6.347
  209   3HD2  LEU  24          3HD2      LEU  24   2.418  -3.444   5.336
  210    H    HIS  25           H        HIS  25   0.052  -2.805   0.368
  211    HA   HIS  25           HA       HIS  25  -1.318  -5.133  -0.258
  212   1HB   HIS  25          1HB       HIS  25  -0.590  -2.787  -2.020
  213   2HB   HIS  25          2HB       HIS  25  -1.712  -4.055  -2.499
  214    HD1  HIS  25           HD1      HIS  25  -3.770  -4.337  -0.555
  215    HD2  HIS  25           HD2      HIS  25  -1.847  -0.677  -0.957
  216    HE1  HIS  25           HE1      HIS  25  -5.302  -2.607   0.476
  217    H    GLU  26           H        GLU  26   1.854  -4.060  -1.356
  218    HA   GLU  26           HA       GLU  26   2.165  -5.948  -3.442
  219   1HB   GLU  26          1HB       GLU  26   4.213  -4.461  -1.790
  220   2HB   GLU  26          2HB       GLU  26   4.614  -5.453  -3.185
  221   1HG   GLU  26          1HG       GLU  26   3.447  -4.004  -4.658
  222   2HG   GLU  26          2HG       GLU  26   2.726  -3.118  -3.315
  223    H    ASN  27           H        ASN  27   3.432  -5.931  -0.098
  224    HA   ASN  27           HA       ASN  27   3.363  -8.862  -0.126
  225   1HB   ASN  27          1HB       ASN  27   5.716  -7.758  -0.585
  226   2HB   ASN  27          2HB       ASN  27   5.707  -7.520   1.160
  227   1HD2  ASN  27          1HD2      ASN  27   5.625  -9.359   2.524
  228   2HD2  ASN  27          2HD2      ASN  27   6.135 -10.907   1.954
  229    H    LYS  28           H        LYS  28   2.743  -9.784   1.767
  230    HA   LYS  28           HA       LYS  28   1.645  -8.054   3.790
  231   1HB   LYS  28          1HB       LYS  28   1.743 -11.056   3.492
  232   2HB   LYS  28          2HB       LYS  28   1.006 -10.258   4.873
  233   1HG   LYS  28          1HG       LYS  28  -0.879 -10.284   3.698
  234   2HG   LYS  28          2HG       LYS  28  -0.166  -8.993   2.729
  235   1HD   LYS  28          1HD       LYS  28  -0.678 -10.459   1.058
  236   2HD   LYS  28          2HD       LYS  28   0.929 -11.057   1.470
  237   1HE   LYS  28          1HE       LYS  28  -0.263 -13.017   1.470
  238   2HE   LYS  28          2HE       LYS  28  -0.402 -12.553   3.165
  239   1HZ   LYS  28          1HZ       LYS  28  -2.576 -11.627   2.710
  240   2HZ   LYS  28          2HZ       LYS  28  -2.528 -13.248   2.229
  241   3HZ   LYS  28          3HZ       LYS  28  -2.440 -12.021   1.070
  242    H    LYS  29           H        LYS  29   2.293  -7.805   5.897
  243    HA   LYS  29           HA       LYS  29   4.630  -9.244   6.868
  244   1HB   LYS  29          1HB       LYS  29   5.677  -7.037   7.590
  245   2HB   LYS  29          2HB       LYS  29   5.783  -7.441   5.883
  246   1HG   LYS  29          1HG       LYS  29   3.423  -5.859   6.585
  247   2HG   LYS  29          2HG       LYS  29   4.960  -5.048   6.890
  248   1HD   LYS  29          1HD       LYS  29   4.467  -6.436   4.283
  249   2HD   LYS  29          2HD       LYS  29   3.837  -4.812   4.563
  250   1HE   LYS  29          1HE       LYS  29   6.302  -4.340   5.342
  251   2HE   LYS  29          2HE       LYS  29   6.660  -5.750   4.345
  252   1HZ   LYS  29          1HZ       LYS  29   6.883  -3.789   3.025
  253   2HZ   LYS  29          2HZ       LYS  29   5.345  -3.239   3.463
  254   3HZ   LYS  29          3HZ       LYS  29   5.504  -4.616   2.496
  Start of MODEL   15
    1    H    TYR   1           H        TYR   1  -7.182  14.173   6.862
    2    HA   TYR   1           HA       TYR   1  -7.082  11.848   5.891
    3   1HB   TYR   1          1HB       TYR   1 -10.068  12.354   5.834
    4   2HB   TYR   1          2HB       TYR   1  -9.221  10.961   5.173
    5    HD1  TYR   1           HD1      TYR   1 -11.414  11.634   7.565
    6    HD2  TYR   1           HD2      TYR   1  -7.447  10.118   7.295
    7    HE1  TYR   1           HE1      TYR   1 -11.729  10.446   9.693
    8    HE2  TYR   1           HE2      TYR   1  -7.752   8.925   9.423
    9    HH   TYR   1           HH       TYR   1 -10.347   8.096  10.711
   10    H    LYS   2           H        LYS   2  -5.937  13.027   4.404
   11    HA   LYS   2           HA       LYS   2  -7.357  14.949   2.725
   12   1HB   LYS   2          1HB       LYS   2  -5.105  15.460   3.756
   13   2HB   LYS   2          2HB       LYS   2  -4.415  14.271   2.660
   14   1HG   LYS   2          1HG       LYS   2  -4.079  16.406   1.691
   15   2HG   LYS   2          2HG       LYS   2  -5.349  15.609   0.760
   16   1HD   LYS   2          1HD       LYS   2  -6.369  17.173   3.006
   17   2HD   LYS   2          2HD       LYS   2  -5.480  18.142   1.828
   18   1HE   LYS   2          1HE       LYS   2  -6.910  17.462   0.060
   19   2HE   LYS   2          2HE       LYS   2  -7.651  16.208   1.053
   20   1HZ   LYS   2          1HZ       LYS   2  -7.898  19.134   1.503
   21   2HZ   LYS   2          2HZ       LYS   2  -8.618  17.927   2.445
   22   3HZ   LYS   2          3HZ       LYS   2  -9.089  18.135   0.834
   23    H    PHE   3           H        PHE   3  -5.028  12.288   2.137
   24    HA   PHE   3           HA       PHE   3  -6.084  11.973  -0.555
   25   1HB   PHE   3          1HB       PHE   3  -3.632  11.117   0.899
   26   2HB   PHE   3          2HB       PHE   3  -4.174  10.120  -0.435
   27    HD1  PHE   3           HD1      PHE   3  -4.540  11.258  -2.697
   28    HD2  PHE   3           HD2      PHE   3  -2.400  13.046   0.519
   29    HE1  PHE   3           HE1      PHE   3  -3.454  12.799  -4.279
   30    HE2  PHE   3           HE2      PHE   3  -1.312  14.589  -1.057
   31    HZ   PHE   3           HZ       PHE   3  -1.838  14.467  -3.460
   32    H    ALA   4           H        ALA   4  -6.087   9.562  -1.307
   33    HA   ALA   4           HA       ALA   4  -7.168   7.708   0.646
   34   1HB   ALA   4          1HB       ALA   4  -9.168   7.329  -0.979
   35   2HB   ALA   4          2HB       ALA   4  -8.832   8.984  -1.485
   36   3HB   ALA   4          3HB       ALA   4  -9.234   8.641   0.197
   37    H    CYS   5           H        CYS   5  -6.928   5.570   0.031
   38    HA   CYS   5           HA       CYS   5  -5.103   5.061  -2.112
   39   1HB   CYS   5          1HB       CYS   5  -5.367   3.808   0.162
   40   2HB   CYS   5          2HB       CYS   5  -6.595   2.886  -0.688
   41    HG   CYS   5           HG       CYS   5  -4.741   1.495  -1.451
   42    HA   PRO   6           HA       PRO   6  -8.110   4.246  -5.281
   43   1HB   PRO   6          1HB       PRO   6  -6.486   3.138  -7.121
   44   2HB   PRO   6          2HB       PRO   6  -6.418   4.860  -6.727
   45   1HG   PRO   6          1HG       PRO   6  -4.645   2.633  -5.801
   46   2HG   PRO   6          2HG       PRO   6  -4.206   4.269  -6.324
   47   1HD   PRO   6          1HD       PRO   6  -4.401   3.515  -3.703
   48   2HD   PRO   6          2HD       PRO   6  -4.658   5.178  -4.271
   49    H    GLU   7           H        GLU   7  -6.211   1.767  -3.740
   50    HA   GLU   7           HA       GLU   7  -7.807  -0.368  -4.952
   51   1HB   GLU   7          1HB       GLU   7  -5.164  -0.302  -4.547
   52   2HB   GLU   7          2HB       GLU   7  -5.650  -0.963  -2.992
   53   1HG   GLU   7          1HG       GLU   7  -7.069  -2.562  -4.595
   54   2HG   GLU   7          2HG       GLU   7  -5.740  -2.170  -5.685
   55    H    CYS   8           H        CYS   8  -6.812   0.810  -1.725
   56    HA   CYS   8           HA       CYS   8  -9.118  -0.630  -0.581
   57   1HB   CYS   8          1HB       CYS   8  -7.948  -0.754   1.492
   58   2HB   CYS   8          2HB       CYS   8  -6.834  -1.264   0.239
   59    HG   CYS   8           HG       CYS   8  -6.525   1.665   1.048
   60    HA   PRO   9           HA       PRO   9 -10.761   3.214   0.837
   61   1HB   PRO   9          1HB       PRO   9 -12.116   2.492   3.025
   62   2HB   PRO   9          2HB       PRO   9 -12.525   1.844   1.433
   63   1HG   PRO   9          1HG       PRO   9 -11.090   0.552   3.694
   64   2HG   PRO   9          2HG       PRO   9 -12.166  -0.167   2.485
   65   1HD   PRO   9          1HD       PRO   9  -9.338  -0.176   2.459
   66   2HD   PRO   9          2HD       PRO   9 -10.409  -0.675   1.140
   67    H    LYS  10           H        LYS  10  -7.991   3.086   1.648
   68    HA   LYS  10           HA       LYS  10  -7.966   3.983   4.418
   69   1HB   LYS  10          1HB       LYS  10  -5.718   3.574   2.438
   70   2HB   LYS  10          2HB       LYS  10  -5.491   4.158   4.062
   71   1HG   LYS  10          1HG       LYS  10  -6.918   1.582   3.646
   72   2HG   LYS  10          2HG       LYS  10  -5.159   1.640   3.515
   73   1HD   LYS  10          1HD       LYS  10  -4.967   2.494   5.756
   74   2HD   LYS  10          2HD       LYS  10  -6.720   2.645   5.893
   75   1HE   LYS  10          1HE       LYS  10  -5.437  -0.003   5.322
   76   2HE   LYS  10          2HE       LYS  10  -5.557   0.607   6.970
   77   1HZ   LYS  10          1HZ       LYS  10  -7.423  -0.813   6.445
   78   2HZ   LYS  10          2HZ       LYS  10  -7.832   0.148   5.113
   79   3HZ   LYS  10          3HZ       LYS  10  -7.962   0.773   6.680
   80    H    ARG  11           H        ARG  11  -6.838   5.995   4.974
   81    HA   ARG  11           HA       ARG  11  -6.776   8.073   2.944
   82   1HB   ARG  11          1HB       ARG  11  -8.226   9.575   4.383
   83   2HB   ARG  11          2HB       ARG  11  -9.063   8.287   3.531
   84   1HG   ARG  11          1HG       ARG  11  -8.160   7.809   6.329
   85   2HG   ARG  11          2HG       ARG  11  -9.583   8.810   6.041
   86   1HD   ARG  11          1HD       ARG  11 -10.255   6.800   4.472
   87   2HD   ARG  11          2HD       ARG  11  -9.159   5.910   5.529
   88    HE   ARG  11           HE       ARG  11 -11.226   7.511   6.814
   89   1HH1  ARG  11          1HH1      ARG  11 -10.166   4.334   5.782
   90   2HH1  ARG  11          2HH1      ARG  11 -11.254   3.497   6.835
   91   1HH2  ARG  11          1HH2      ARG  11 -12.658   6.400   8.192
   92   2HH2  ARG  11          2HH2      ARG  11 -12.670   4.670   8.202
   93    H    PHE  12           H        PHE  12  -5.149   9.471   3.318
   94    HA   PHE  12           HA       PHE  12  -4.126   9.738   6.060
   95   1HB   PHE  12          1HB       PHE  12  -2.304   9.391   3.712
   96   2HB   PHE  12          2HB       PHE  12  -1.870   9.365   5.406
   97    HD1  PHE  12           HD1      PHE  12  -4.147   7.553   3.071
   98    HD2  PHE  12           HD2      PHE  12  -1.409   7.298   6.317
   99    HE1  PHE  12           HE1      PHE  12  -4.365   5.118   3.050
  100    HE2  PHE  12           HE2      PHE  12  -1.627   4.844   6.302
  101    HZ   PHE  12           HZ       PHE  12  -3.108   3.753   4.654
  102    H    MET  13           H        MET  13  -3.168  11.687   6.574
  103    HA   MET  13           HA       MET  13  -3.937  13.927   4.956
  104   1HB   MET  13          1HB       MET  13  -2.463  13.652   7.567
  105   2HB   MET  13          2HB       MET  13  -2.649  15.211   6.776
  106   1HG   MET  13          1HG       MET  13  -5.168  14.623   6.753
  107   2HG   MET  13          2HG       MET  13  -4.731  13.452   7.996
  108   1HE   MET  13          1HE       MET  13  -6.089  17.461   8.887
  109   2HE   MET  13          2HE       MET  13  -6.843  15.936   8.423
  110   3HE   MET  13          3HE       MET  13  -5.907  16.853   7.242
  111    H    ARG  14           H        ARG  14  -1.042  12.047   5.360
  112    HA   ARG  14           HA       ARG  14   0.575  14.047   3.953
  113   1HB   ARG  14          1HB       ARG  14   1.335  11.486   5.369
  114   2HB   ARG  14          2HB       ARG  14   2.476  12.506   4.506
  115   1HG   ARG  14          1HG       ARG  14   2.807  13.408   6.531
  116   2HG   ARG  14          2HG       ARG  14   1.352  14.328   6.146
  117   1HD   ARG  14          1HD       ARG  14   0.306  13.426   7.883
  118   2HD   ARG  14          2HD       ARG  14   0.556  11.813   7.209
  119    HE   ARG  14           HE       ARG  14   2.917  12.662   8.479
  120   1HH1  ARG  14          1HH1      ARG  14  -0.341  11.656   9.273
  121   2HH1  ARG  14          2HH1      ARG  14   0.097  11.039  10.829
  122   1HH2  ARG  14          1HH2      ARG  14   3.489  11.848  10.528
  123   2HH2  ARG  14          2HH2      ARG  14   2.273  11.148  11.543
  124    H    SER  15           H        SER  15   1.930  13.358   2.158
  125    HA   SER  15           HA       SER  15   0.488  11.534   0.401
  126   1HB   SER  15          1HB       SER  15   0.901  13.227  -0.969
  127   2HB   SER  15          2HB       SER  15   2.199  13.871   0.031
  128    HG   SER  15           HG       SER  15   3.432  13.138  -1.512
  129    H    ASP  16           H        ASP  16   3.779  12.012   1.666
  130    HA   ASP  16           HA       ASP  16   4.881   9.712   0.419
  131   1HB   ASP  16          1HB       ASP  16   6.089  11.776   1.423
  132   2HB   ASP  16          2HB       ASP  16   5.983  10.890   2.938
  133    H    HIS  17           H        HIS  17   3.777  10.322   3.754
  134    HA   HIS  17           HA       HIS  17   4.302   7.769   4.781
  135   1HB   HIS  17          1HB       HIS  17   2.398   9.957   5.546
  136   2HB   HIS  17          2HB       HIS  17   2.308   8.398   6.351
  137    HD1  HIS  17           HD1      HIS  17   2.955   9.859   8.500
  138    HD2  HIS  17           HD2      HIS  17   5.918   9.425   5.621
  139    HE1  HIS  17           HE1      HIS  17   5.095  10.504   9.639
  140    HE2  HIS  17           HE2      HIS  17   6.891  10.139   7.910
  141    H    LEU  18           H        LEU  18   1.406   9.071   3.188
  142    HA   LEU  18           HA       LEU  18  -0.290   6.885   3.497
  143   1HB   LEU  18          1HB       LEU  18  -0.927   9.104   2.619
  144   2HB   LEU  18          2HB       LEU  18  -0.089   8.742   1.132
  145    HG   LEU  18           HG       LEU  18  -2.278   6.943   2.071
  146   1HD1  LEU  18          1HD1      LEU  18  -3.808   8.353   0.651
  147   2HD1  LEU  18          2HD1      LEU  18  -2.568   9.605   0.728
  148   3HD1  LEU  18          3HD1      LEU  18  -3.343   9.043   2.206
  149   1HD2  LEU  18          1HD2      LEU  18  -1.641   5.937   0.198
  150   2HD2  LEU  18          2HD2      LEU  18  -0.684   7.327  -0.322
  151   3HD2  LEU  18          3HD2      LEU  18  -2.418   7.279  -0.650
  152    H    THR  19           H        THR  19   2.027   7.623   0.901
  153    HA   THR  19           HA       THR  19   1.486   5.352  -0.638
  154    HB   THR  19           HB       THR  19   4.102   6.867  -0.454
  155    HG1  THR  19           HG1      THR  19   2.860   8.412  -1.172
  156   1HG2  THR  19          1HG2      THR  19   4.301   6.224  -2.861
  157   2HG2  THR  19          2HG2      THR  19   2.979   5.088  -2.595
  158   3HG2  THR  19          3HG2      THR  19   4.493   4.903  -1.711
  159    H    LEU  20           H        LEU  20   3.561   5.874   2.150
  160    HA   LEU  20           HA       LEU  20   5.117   3.544   2.014
  161   1HB   LEU  20          1HB       LEU  20   5.312   5.557   3.609
  162   2HB   LEU  20          2HB       LEU  20   4.115   4.737   4.591
  163    HG   LEU  20           HG       LEU  20   5.838   2.727   4.388
  164   1HD1  LEU  20          1HD1      LEU  20   8.137   3.508   4.411
  165   2HD1  LEU  20          2HD1      LEU  20   7.596   5.162   4.128
  166   3HD1  LEU  20          3HD1      LEU  20   7.354   3.932   2.889
  167   1HD2  LEU  20          1HD2      LEU  20   6.835   3.480   6.509
  168   2HD2  LEU  20          2HD2      LEU  20   5.085   3.692   6.477
  169   3HD2  LEU  20          3HD2      LEU  20   6.146   5.082   6.248
  170    H    HIS  21           H        HIS  21   1.831   4.120   3.089
  171    HA   HIS  21           HA       HIS  21   1.341   1.692   4.417
  172   1HB   HIS  21          1HB       HIS  21  -0.634   2.699   4.750
  173   2HB   HIS  21          2HB       HIS  21  -0.113   4.021   3.749
  174    HD1  HIS  21           HD1      HIS  21  -2.061   4.576   2.287
  175    HD2  HIS  21           HD2      HIS  21  -1.451   0.490   2.571
  176    HE1  HIS  21           HE1      HIS  21  -3.813   3.481   0.841
  177    H    ILE  22           H        ILE  22   0.813   2.705   1.090
  178    HA   ILE  22           HA       ILE  22  -0.389   0.352   0.188
  179    HB   ILE  22           HB       ILE  22   1.204   2.169  -1.604
  180   1HG1  ILE  22          1HG1      ILE  22  -1.673   2.701  -1.126
  181   2HG1  ILE  22          2HG1      ILE  22  -0.591   3.167   0.166
  182   1HG2  ILE  22          1HG2      ILE  22  -1.438   1.195  -2.403
  183   2HG2  ILE  22          2HG2      ILE  22  -0.249  -0.084  -2.153
  184   3HG2  ILE  22          3HG2      ILE  22   0.082   1.213  -3.301
  185   1HD1  ILE  22          1HD1      ILE  22  -0.419   5.071  -0.951
  186   2HD1  ILE  22          2HD1      ILE  22  -1.034   4.361  -2.445
  187   3HD1  ILE  22          3HD1      ILE  22   0.669   4.181  -2.016
  188    H    LEU  23           H        LEU  23   2.738   0.551   1.277
  189    HA   LEU  23           HA       LEU  23   4.049  -1.082  -0.664
  190   1HB   LEU  23          1HB       LEU  23   4.710   0.153   1.885
  191   2HB   LEU  23          2HB       LEU  23   5.358  -1.471   1.766
  192    HG   LEU  23           HG       LEU  23   5.810   0.326  -0.553
  193   1HD1  LEU  23          1HD1      LEU  23   7.761   1.348   0.533
  194   2HD1  LEU  23          2HD1      LEU  23   7.273   0.627   2.066
  195   3HD1  LEU  23          3HD1      LEU  23   6.247   1.836   1.293
  196   1HD2  LEU  23          1HD2      LEU  23   6.589  -2.027  -0.457
  197   2HD2  LEU  23          2HD2      LEU  23   7.611  -1.597   0.915
  198   3HD2  LEU  23          3HD2      LEU  23   7.899  -0.863  -0.663
  199    H    LEU  24           H        LEU  24   2.131  -1.673   2.237
  200    HA   LEU  24           HA       LEU  24   2.756  -4.469   2.371
  201   1HB   LEU  24          1HB       LEU  24   0.570  -4.467   3.812
  202   2HB   LEU  24          2HB       LEU  24   2.080  -3.841   4.433
  203    HG   LEU  24           HG       LEU  24   1.259  -1.540   3.799
  204   1HD1  LEU  24          1HD1      LEU  24  -1.341  -3.035   3.463
  205   2HD1  LEU  24          2HD1      LEU  24  -0.474  -2.146   2.212
  206   3HD1  LEU  24          3HD1      LEU  24  -1.187  -1.280   3.572
  207   1HD2  LEU  24          1HD2      LEU  24   1.094  -2.883   6.057
  208   2HD2  LEU  24          2HD2      LEU  24  -0.634  -2.703   5.754
  209   3HD2  LEU  24          3HD2      LEU  24   0.393  -1.274   5.879
  210    H    HIS  25           H        HIS  25   0.633  -2.621   0.420
  211    HA   HIS  25           HA       HIS  25  -1.518  -4.314   0.014
  212   1HB   HIS  25          1HB       HIS  25  -0.257  -2.128  -1.462
  213   2HB   HIS  25          2HB       HIS  25  -1.055  -3.296  -2.509
  214    HD1  HIS  25           HD1      HIS  25  -3.636  -3.921  -1.326
  215    HD2  HIS  25           HD2      HIS  25  -1.949  -0.155  -0.849
  216    HE1  HIS  25           HE1      HIS  25  -5.537  -2.357  -0.753
  217    H    GLU  26           H        GLU  26   1.736  -4.496  -1.357
  218    HA   GLU  26           HA       GLU  26   1.234  -6.473  -3.294
  219   1HB   GLU  26          1HB       GLU  26   3.320  -5.078  -3.098
  220   2HB   GLU  26          2HB       GLU  26   3.805  -6.097  -1.749
  221   1HG   GLU  26          1HG       GLU  26   4.942  -6.880  -3.669
  222   2HG   GLU  26          2HG       GLU  26   3.685  -8.058  -3.294
  223    H    ASN  27           H        ASN  27   2.301  -6.750   0.092
  224    HA   ASN  27           HA       ASN  27   1.089  -9.377   0.272
  225   1HB   ASN  27          1HB       ASN  27   3.882  -9.123  -0.209
  226   2HB   ASN  27          2HB       ASN  27   3.681  -9.653   1.458
  227   1HD2  ASN  27          1HD2      ASN  27   2.970 -10.408  -1.891
  228   2HD2  ASN  27          2HD2      ASN  27   2.692 -12.096  -1.646
  229    H    LYS  28           H        LYS  28  -0.294  -8.505   1.798
  230    HA   LYS  28           HA       LYS  28   0.867  -7.311   4.203
  231   1HB   LYS  28          1HB       LYS  28  -1.152  -6.345   2.916
  232   2HB   LYS  28          2HB       LYS  28  -2.075  -7.638   3.668
  233   1HG   LYS  28          1HG       LYS  28  -1.338  -6.793   5.887
  234   2HG   LYS  28          2HG       LYS  28  -0.578  -5.430   5.063
  235   1HD   LYS  28          1HD       LYS  28  -2.610  -4.514   4.431
  236   2HD   LYS  28          2HD       LYS  28  -3.462  -6.053   4.572
  237   1HE   LYS  28          1HE       LYS  28  -3.649  -5.893   6.867
  238   2HE   LYS  28          2HE       LYS  28  -2.266  -4.809   7.007
  239   1HZ   LYS  28          1HZ       LYS  28  -4.907  -4.075   5.860
  240   2HZ   LYS  28          2HZ       LYS  28  -3.584  -3.037   6.052
  241   3HZ   LYS  28          3HZ       LYS  28  -4.367  -3.669   7.411
  242    H    LYS  29           H        LYS  29   0.437  -8.087   6.292
  243    HA   LYS  29           HA       LYS  29   0.293 -10.943   6.488
  244   1HB   LYS  29          1HB       LYS  29   1.703  -9.420   7.944
  245   2HB   LYS  29          2HB       LYS  29   0.219  -8.967   8.768
  246   1HG   LYS  29          1HG       LYS  29  -0.023 -11.585   9.025
  247   2HG   LYS  29          2HG       LYS  29   1.731 -11.520   8.843
  248   1HD   LYS  29          1HD       LYS  29   0.348  -9.696  10.772
  249   2HD   LYS  29          2HD       LYS  29   0.677 -11.372  11.216
  250   1HE   LYS  29          1HE       LYS  29   3.001 -11.078  11.033
  251   2HE   LYS  29          2HE       LYS  29   2.823  -9.569  10.137
  252   1HZ   LYS  29          1HZ       LYS  29   2.096  -9.965  12.991
  253   2HZ   LYS  29          2HZ       LYS  29   1.973  -8.515  12.128
  254   3HZ   LYS  29          3HZ       LYS  29   3.494  -9.190  12.434
  Start of MODEL   16
    1    H    TYR   1           H        TYR   1 -10.060  14.644   5.612
    2    HA   TYR   1           HA       TYR   1  -8.341  12.347   4.988
    3   1HB   TYR   1          1HB       TYR   1 -10.997  13.247   3.847
    4   2HB   TYR   1          2HB       TYR   1 -10.200  11.700   3.589
    5    HD1  TYR   1           HD1      TYR   1 -12.611  13.447   5.504
    6    HD2  TYR   1           HD2      TYR   1  -9.821  10.244   5.719
    7    HE1  TYR   1           HE1      TYR   1 -13.848  12.507   7.408
    8    HE2  TYR   1           HE2      TYR   1 -11.049   9.293   7.624
    9    HH   TYR   1           HH       TYR   1 -12.882  10.694   9.516
   10    H    LYS   2           H        LYS   2  -6.619  13.091   3.863
   11    HA   LYS   2           HA       LYS   2  -6.998  15.198   1.875
   12   1HB   LYS   2          1HB       LYS   2  -4.633  14.013   3.260
   13   2HB   LYS   2          2HB       LYS   2  -4.393  14.779   1.696
   14   1HG   LYS   2          1HG       LYS   2  -5.939  16.302   3.704
   15   2HG   LYS   2          2HG       LYS   2  -4.212  16.096   4.004
   16   1HD   LYS   2          1HD       LYS   2  -3.609  17.273   2.104
   17   2HD   LYS   2          2HD       LYS   2  -5.157  16.982   1.309
   18   1HE   LYS   2          1HE       LYS   2  -5.176  18.563   3.820
   19   2HE   LYS   2          2HE       LYS   2  -4.519  19.335   2.378
   20   1HZ   LYS   2          1HZ       LYS   2  -6.577  18.928   1.227
   21   2HZ   LYS   2          2HZ       LYS   2  -6.905  19.743   2.672
   22   3HZ   LYS   2          3HZ       LYS   2  -7.207  18.084   2.551
   23    H    PHE   3           H        PHE   3  -5.341  12.016   1.972
   24    HA   PHE   3           HA       PHE   3  -5.907  11.748  -0.901
   25   1HB   PHE   3          1HB       PHE   3  -3.611  11.016   0.807
   26   2HB   PHE   3          2HB       PHE   3  -4.068   9.828  -0.398
   27    HD1  PHE   3           HD1      PHE   3  -4.252  10.609  -2.825
   28    HD2  PHE   3           HD2      PHE   3  -2.324  12.860   0.228
   29    HE1  PHE   3           HE1      PHE   3  -3.031  11.883  -4.541
   30    HE2  PHE   3           HE2      PHE   3  -1.099  14.138  -1.481
   31    HZ   PHE   3           HZ       PHE   3  -1.453  13.650  -3.869
   32    H    ALA   4           H        ALA   4  -5.904   9.295  -1.542
   33    HA   ALA   4           HA       ALA   4  -7.222   7.572   0.384
   34   1HB   ALA   4          1HB       ALA   4  -9.203   7.201  -0.988
   35   2HB   ALA   4          2HB       ALA   4  -8.642   8.409  -2.142
   36   3HB   ALA   4          3HB       ALA   4  -9.081   8.892  -0.503
   37    H    CYS   5           H        CYS   5  -6.888   5.429  -0.031
   38    HA   CYS   5           HA       CYS   5  -4.984   4.743  -2.059
   39   1HB   CYS   5          1HB       CYS   5  -5.280   3.691   0.294
   40   2HB   CYS   5          2HB       CYS   5  -6.537   2.725  -0.461
   41    HG   CYS   5           HG       CYS   5  -4.829   1.321  -1.537
   42    HA   PRO   6           HA       PRO   6  -7.878   3.688  -5.262
   43   1HB   PRO   6          1HB       PRO   6  -6.218   2.312  -6.891
   44   2HB   PRO   6          2HB       PRO   6  -6.127   4.068  -6.711
   45   1HG   PRO   6          1HG       PRO   6  -4.447   1.945  -5.433
   46   2HG   PRO   6          2HG       PRO   6  -3.946   3.486  -6.153
   47   1HD   PRO   6          1HD       PRO   6  -4.232   3.124  -3.473
   48   2HD   PRO   6          2HD       PRO   6  -4.496   4.688  -4.273
   49    H    GLU   7           H        GLU   7  -6.169   1.332  -3.361
   50    HA   GLU   7           HA       GLU   7  -7.802  -0.860  -4.420
   51   1HB   GLU   7          1HB       GLU   7  -5.322  -1.140  -4.227
   52   2HB   GLU   7          2HB       GLU   7  -5.486  -0.998  -2.483
   53   1HG   GLU   7          1HG       GLU   7  -5.303  -3.317  -3.137
   54   2HG   GLU   7          2HG       GLU   7  -6.892  -2.993  -2.447
   55    H    CYS   8           H        CYS   8  -6.884   0.642  -1.315
   56    HA   CYS   8           HA       CYS   8  -9.275  -0.593  -0.105
   57   1HB   CYS   8          1HB       CYS   8  -8.151  -0.553   2.017
   58   2HB   CYS   8          2HB       CYS   8  -7.077  -1.293   0.842
   59    HG   CYS   8           HG       CYS   8  -6.619   1.686   1.519
   60    HA   PRO   9           HA       PRO   9 -10.726   3.450   0.954
   61   1HB   PRO   9          1HB       PRO   9 -12.254   2.950   3.081
   62   2HB   PRO   9          2HB       PRO   9 -12.597   2.201   1.518
   63   1HG   PRO   9          1HG       PRO   9 -11.358   1.022   3.954
   64   2HG   PRO   9          2HG       PRO   9 -12.413   0.265   2.748
   65   1HD   PRO   9          1HD       PRO   9  -9.591   0.108   2.868
   66   2HD   PRO   9          2HD       PRO   9 -10.626  -0.434   1.536
   67    H    LYS  10           H        LYS  10  -8.033   3.296   1.889
   68    HA   LYS  10           HA       LYS  10  -8.125   4.338   4.616
   69   1HB   LYS  10          1HB       LYS  10  -5.722   3.741   2.885
   70   2HB   LYS  10          2HB       LYS  10  -5.683   4.213   4.555
   71   1HG   LYS  10          1HG       LYS  10  -7.204   1.776   3.782
   72   2HG   LYS  10          2HG       LYS  10  -5.445   1.711   3.907
   73   1HD   LYS  10          1HD       LYS  10  -7.156   2.816   6.117
   74   2HD   LYS  10          2HD       LYS  10  -6.806   1.093   5.985
   75   1HE   LYS  10          1HE       LYS  10  -4.925   1.482   7.110
   76   2HE   LYS  10          2HE       LYS  10  -4.335   2.337   5.686
   77   1HZ   LYS  10          1HZ       LYS  10  -5.369   4.374   6.607
   78   2HZ   LYS  10          2HZ       LYS  10  -4.126   3.758   7.573
   79   3HZ   LYS  10          3HZ       LYS  10  -5.740   3.519   8.020
   80    H    ARG  11           H        ARG  11  -7.181   6.333   5.164
   81    HA   ARG  11           HA       ARG  11  -6.739   8.243   2.990
   82   1HB   ARG  11          1HB       ARG  11  -8.479   8.821   5.384
   83   2HB   ARG  11          2HB       ARG  11  -8.123   9.911   4.062
   84   1HG   ARG  11          1HG       ARG  11 -10.053   9.225   3.191
   85   2HG   ARG  11          2HG       ARG  11  -9.186   7.750   2.760
   86   1HD   ARG  11          1HD       ARG  11  -9.821   6.940   5.119
   87   2HD   ARG  11          2HD       ARG  11 -10.988   8.261   5.103
   88    HE   ARG  11           HE       ARG  11 -11.172   6.596   2.782
   89   1HH1  ARG  11          1HH1      ARG  11 -12.142   6.883   6.134
   90   2HH1  ARG  11          2HH1      ARG  11 -13.548   5.891   5.941
   91   1HH2  ARG  11          1HH2      ARG  11 -13.024   5.286   2.535
   92   2HH2  ARG  11          2HH2      ARG  11 -14.048   4.984   3.899
   93    H    PHE  12           H        PHE  12  -5.135   9.685   3.372
   94    HA   PHE  12           HA       PHE  12  -4.068   9.915   6.094
   95   1HB   PHE  12          1HB       PHE  12  -2.310   9.424   3.717
   96   2HB   PHE  12          2HB       PHE  12  -1.805   9.525   5.388
   97    HD1  PHE  12           HD1      PHE  12  -4.253   7.567   3.356
   98    HD2  PHE  12           HD2      PHE  12  -1.261   7.520   6.380
   99    HE1  PHE  12           HE1      PHE  12  -4.485   5.141   3.533
  100    HE2  PHE  12           HE2      PHE  12  -1.493   5.073   6.564
  101    HZ   PHE  12           HZ       PHE  12  -3.107   3.883   5.124
  102    H    MET  13           H        MET  13  -3.048  11.835   6.574
  103    HA   MET  13           HA       MET  13  -3.764  14.080   4.941
  104   1HB   MET  13          1HB       MET  13  -1.989  14.028   7.389
  105   2HB   MET  13          2HB       MET  13  -2.768  15.440   6.689
  106   1HG   MET  13          1HG       MET  13  -4.040  13.140   8.135
  107   2HG   MET  13          2HG       MET  13  -4.038  14.846   8.576
  108   1HE   MET  13          1HE       MET  13  -5.578  12.049   7.379
  109   2HE   MET  13          2HE       MET  13  -6.305  12.358   5.803
  110   3HE   MET  13          3HE       MET  13  -7.232  12.652   7.275
  111    H    ARG  14           H        ARG  14  -0.912  12.131   5.380
  112    HA   ARG  14           HA       ARG  14   0.730  14.029   3.866
  113   1HB   ARG  14          1HB       ARG  14   1.433  11.535   5.419
  114   2HB   ARG  14          2HB       ARG  14   2.596  12.444   4.464
  115   1HG   ARG  14          1HG       ARG  14   2.469  14.310   5.884
  116   2HG   ARG  14          2HG       ARG  14   0.994  13.724   6.655
  117   1HD   ARG  14          1HD       ARG  14   2.589  13.224   8.245
  118   2HD   ARG  14          2HD       ARG  14   2.477  11.706   7.353
  119    HE   ARG  14           HE       ARG  14   4.604  12.050   6.523
  120   1HH1  ARG  14          1HH1      ARG  14   3.536  14.921   8.223
  121   2HH1  ARG  14          2HH1      ARG  14   5.111  15.635   8.254
  122   1HH2  ARG  14          1HH2      ARG  14   6.675  13.000   6.566
  123   2HH2  ARG  14          2HH2      ARG  14   6.893  14.547   7.314
  124    H    SER  15           H        SER  15   2.044  13.229   2.087
  125    HA   SER  15           HA       SER  15   0.545  11.345   0.441
  126   1HB   SER  15          1HB       SER  15   1.120  12.616  -1.265
  127   2HB   SER  15          2HB       SER  15   1.827  13.749  -0.118
  128    HG   SER  15           HG       SER  15   3.791  13.038  -0.601
  129    H    ASP  16           H        ASP  16   3.842  11.815   1.682
  130    HA   ASP  16           HA       ASP  16   4.912   9.463   0.498
  131   1HB   ASP  16          1HB       ASP  16   6.061  11.606   1.602
  132   2HB   ASP  16          2HB       ASP  16   6.114  10.530   2.992
  133    H    HIS  17           H        HIS  17   3.799  10.194   3.803
  134    HA   HIS  17           HA       HIS  17   4.294   7.665   4.908
  135   1HB   HIS  17          1HB       HIS  17   2.504   9.949   5.617
  136   2HB   HIS  17          2HB       HIS  17   2.263   8.408   6.429
  137    HD1  HIS  17           HD1      HIS  17   2.975   9.836   8.588
  138    HD2  HIS  17           HD2      HIS  17   5.965   9.128   5.791
  139    HE1  HIS  17           HE1      HIS  17   5.133  10.318   9.773
  140    HE2  HIS  17           HE2      HIS  17   6.923   9.983   8.035
  141    H    LEU  18           H        LEU  18   1.443   8.950   3.232
  142    HA   LEU  18           HA       LEU  18  -0.288   6.792   3.637
  143   1HB   LEU  18          1HB       LEU  18  -0.858   9.026   2.665
  144   2HB   LEU  18          2HB       LEU  18  -0.115   8.513   1.170
  145    HG   LEU  18           HG       LEU  18  -2.314   6.879   2.356
  146   1HD1  LEU  18          1HD1      LEU  18  -3.454   8.874   2.382
  147   2HD1  LEU  18          2HD1      LEU  18  -3.775   8.306   0.744
  148   3HD1  LEU  18          3HD1      LEU  18  -2.538   9.532   1.029
  149   1HD2  LEU  18          1HD2      LEU  18  -0.862   7.060  -0.161
  150   2HD2  LEU  18          2HD2      LEU  18  -2.614   7.000  -0.358
  151   3HD2  LEU  18          3HD2      LEU  18  -1.781   5.721   0.532
  152    H    THR  19           H        THR  19   1.997   7.446   0.987
  153    HA   THR  19           HA       THR  19   1.453   5.123  -0.470
  154    HB   THR  19           HB       THR  19   4.063   6.655  -0.339
  155    HG1  THR  19           HG1      THR  19   1.712   7.049  -1.860
  156   1HG2  THR  19          1HG2      THR  19   4.290   5.917  -2.713
  157   2HG2  THR  19          2HG2      THR  19   2.967   4.788  -2.422
  158   3HG2  THR  19          3HG2      THR  19   4.470   4.637  -1.513
  159    H    LEU  20           H        LEU  20   3.499   5.719   2.316
  160    HA   LEU  20           HA       LEU  20   5.066   3.385   2.245
  161   1HB   LEU  20          1HB       LEU  20   5.245   5.457   3.779
  162   2HB   LEU  20          2HB       LEU  20   4.069   4.643   4.791
  163    HG   LEU  20           HG       LEU  20   6.055   2.728   4.324
  164   1HD1  LEU  20          1HD1      LEU  20   8.115   3.810   4.968
  165   2HD1  LEU  20          2HD1      LEU  20   7.309   5.377   5.032
  166   3HD1  LEU  20          3HD1      LEU  20   7.496   4.544   3.489
  167   1HD2  LEU  20          1HD2      LEU  20   6.523   3.047   6.721
  168   2HD2  LEU  20          2HD2      LEU  20   4.796   2.978   6.376
  169   3HD2  LEU  20          3HD2      LEU  20   5.570   4.530   6.694
  170    H    HIS  21           H        HIS  21   1.790   4.016   3.336
  171    HA   HIS  21           HA       HIS  21   1.318   1.589   4.693
  172   1HB   HIS  21          1HB       HIS  21  -0.632   2.622   5.126
  173   2HB   HIS  21          2HB       HIS  21  -0.107   3.963   4.148
  174    HD1  HIS  21           HD1      HIS  21  -2.069   4.622   2.742
  175    HD2  HIS  21           HD2      HIS  21  -1.605   0.515   2.923
  176    HE1  HIS  21           HE1      HIS  21  -3.915   3.620   1.336
  177    H    ILE  22           H        ILE  22   0.531   2.661   1.433
  178    HA   ILE  22           HA       ILE  22  -0.755   0.398   0.536
  179    HB   ILE  22           HB       ILE  22   0.924   2.129  -1.267
  180   1HG1  ILE  22          1HG1      ILE  22  -1.933   2.754  -0.767
  181   2HG1  ILE  22          2HG1      ILE  22  -0.816   3.200   0.500
  182   1HG2  ILE  22          1HG2      ILE  22  -1.779   1.104  -1.945
  183   2HG2  ILE  22          2HG2      ILE  22  -0.441  -0.047  -1.953
  184   3HG2  ILE  22          3HG2      ILE  22  -0.383   1.379  -2.988
  185   1HD1  ILE  22          1HD1      ILE  22  -1.365   4.481  -1.991
  186   2HD1  ILE  22          2HD1      ILE  22   0.349   4.087  -1.865
  187   3HD1  ILE  22          3HD1      ILE  22  -0.431   5.053  -0.613
  188    H    LEU  23           H        LEU  23   2.549   0.593   1.322
  189    HA   LEU  23           HA       LEU  23   3.724  -1.138  -0.520
  190   1HB   LEU  23          1HB       LEU  23   4.331  -0.161   2.157
  191   2HB   LEU  23          2HB       LEU  23   4.875  -1.809   1.924
  192    HG   LEU  23           HG       LEU  23   6.646  -0.198   1.427
  193   1HD1  LEU  23          1HD1      LEU  23   6.501  -2.367   0.220
  194   2HD1  LEU  23          2HD1      LEU  23   7.344  -1.103  -0.676
  195   3HD1  LEU  23          3HD1      LEU  23   5.685  -1.528  -1.101
  196   1HD2  LEU  23          1HD2      LEU  23   5.147   1.637   0.681
  197   2HD2  LEU  23          2HD2      LEU  23   4.886   0.762  -0.827
  198   3HD2  LEU  23          3HD2      LEU  23   6.499   1.342  -0.412
  199    H    LEU  24           H        LEU  24   1.658  -1.779   2.280
  200    HA   LEU  24           HA       LEU  24   2.031  -4.531   2.545
  201   1HB   LEU  24          1HB       LEU  24  -0.392  -4.560   3.339
  202   2HB   LEU  24          2HB       LEU  24   0.741  -3.558   4.222
  203    HG   LEU  24           HG       LEU  24  -0.281  -1.775   2.411
  204   1HD1  LEU  24          1HD1      LEU  24  -2.618  -3.426   3.329
  205   2HD1  LEU  24          2HD1      LEU  24  -1.937  -3.513   1.704
  206   3HD1  LEU  24          3HD1      LEU  24  -2.636  -2.002   2.286
  207   1HD2  LEU  24          1HD2      LEU  24  -1.495  -2.334   5.103
  208   2HD2  LEU  24          2HD2      LEU  24  -1.347  -0.782   4.278
  209   3HD2  LEU  24          3HD2      LEU  24   0.092  -1.596   4.892
  210    H    HIS  25           H        HIS  25  -0.070  -2.757   0.311
  211    HA   HIS  25           HA       HIS  25  -1.458  -4.952  -0.748
  212   1HB   HIS  25          1HB       HIS  25  -0.739  -2.300  -2.015
  213   2HB   HIS  25          2HB       HIS  25  -1.851  -3.463  -2.729
  214    HD1  HIS  25           HD1      HIS  25  -3.916  -4.108  -0.876
  215    HD2  HIS  25           HD2      HIS  25  -2.015  -0.423  -0.605
  216    HE1  HIS  25           HE1      HIS  25  -5.467  -2.599   0.433
  217    H    GLU  26           H        GLU  26   1.278  -3.195  -2.250
  218    HA   GLU  26           HA       GLU  26   1.847  -5.564  -3.866
  219   1HB   GLU  26          1HB       GLU  26   2.167  -2.706  -4.232
  220   2HB   GLU  26          2HB       GLU  26   3.676  -3.550  -4.545
  221   1HG   GLU  26          1HG       GLU  26   1.032  -4.217  -5.820
  222   2HG   GLU  26          2HG       GLU  26   2.298  -3.238  -6.559
  223    H    ASN  27           H        ASN  27   2.505  -6.555  -1.711
  224    HA   ASN  27           HA       ASN  27   5.281  -5.864  -1.026
  225   1HB   ASN  27          1HB       ASN  27   3.206  -6.107   0.671
  226   2HB   ASN  27          2HB       ASN  27   3.761  -7.778   0.663
  227   1HD2  ASN  27          1HD2      ASN  27   4.732  -4.453   1.269
  228   2HD2  ASN  27          2HD2      ASN  27   6.026  -4.835   2.348
  229    H    LYS  28           H        LYS  28   4.793  -7.289  -3.401
  230    HA   LYS  28           HA       LYS  28   5.911  -9.931  -2.728
  231   1HB   LYS  28          1HB       LYS  28   3.533  -9.858  -3.721
  232   2HB   LYS  28          2HB       LYS  28   4.317  -9.392  -5.224
  233   1HG   LYS  28          1HG       LYS  28   4.062 -11.691  -5.416
  234   2HG   LYS  28          2HG       LYS  28   5.742 -11.500  -4.912
  235   1HD   LYS  28          1HD       LYS  28   5.191 -12.069  -2.647
  236   2HD   LYS  28          2HD       LYS  28   3.465 -12.053  -3.011
  237   1HE   LYS  28          1HE       LYS  28   5.219 -13.877  -4.576
  238   2HE   LYS  28          2HE       LYS  28   4.850 -14.306  -2.906
  239   1HZ   LYS  28          1HZ       LYS  28   2.842 -13.750  -5.024
  240   2HZ   LYS  28          2HZ       LYS  28   2.496 -14.182  -3.426
  241   3HZ   LYS  28          3HZ       LYS  28   3.269 -15.284  -4.450
  242    H    LYS  29           H        LYS  29   5.673  -7.528  -5.358
  243    HA   LYS  29           HA       LYS  29   8.515  -8.003  -5.941
  244   1HB   LYS  29          1HB       LYS  29   7.958  -7.666  -8.377
  245   2HB   LYS  29          2HB       LYS  29   7.388  -9.174  -7.676
  246   1HG   LYS  29          1HG       LYS  29   5.435  -7.012  -7.521
  247   2HG   LYS  29          2HG       LYS  29   5.893  -7.440  -9.171
  248   1HD   LYS  29          1HD       LYS  29   5.300  -9.744  -8.789
  249   2HD   LYS  29          2HD       LYS  29   4.997  -9.423  -7.080
  250   1HE   LYS  29          1HE       LYS  29   2.865  -9.433  -8.005
  251   2HE   LYS  29          2HE       LYS  29   3.265  -7.718  -7.931
  252   1HZ   LYS  29          1HZ       LYS  29   3.586  -9.413 -10.349
  253   2HZ   LYS  29          2HZ       LYS  29   3.807  -7.738 -10.252
  254   3HZ   LYS  29          3HZ       LYS  29   2.262  -8.398 -10.058
  Start of MODEL   17
    1    H    TYR   1           H        TYR   1  -5.970  12.823   5.955
    2    HA   TYR   1           HA       TYR   1  -7.827  11.856   4.960
    3   1HB   TYR   1          1HB       TYR   1  -9.262  14.362   5.876
    4   2HB   TYR   1          2HB       TYR   1  -9.962  13.168   4.789
    5    HD1  TYR   1           HD1      TYR   1 -10.271  10.795   5.653
    6    HD2  TYR   1           HD2      TYR   1  -9.368  14.076   8.207
    7    HE1  TYR   1           HE1      TYR   1 -11.080   9.508   7.585
    8    HE2  TYR   1           HE2      TYR   1 -10.173  12.798  10.145
    9    HH   TYR   1           HH       TYR   1 -10.399   9.865  10.451
   10    H    LYS   2           H        LYS   2  -5.588  13.134   3.992
   11    HA   LYS   2           HA       LYS   2  -6.493  15.045   1.976
   12   1HB   LYS   2          1HB       LYS   2  -3.799  14.209   3.000
   13   2HB   LYS   2          2HB       LYS   2  -3.943  15.045   1.460
   14   1HG   LYS   2          1HG       LYS   2  -5.227  16.187   3.902
   15   2HG   LYS   2          2HG       LYS   2  -3.497  16.396   3.626
   16   1HD   LYS   2          1HD       LYS   2  -4.445  17.088   1.201
   17   2HD   LYS   2          2HD       LYS   2  -5.807  17.576   2.212
   18   1HE   LYS   2          1HE       LYS   2  -4.558  19.494   2.253
   19   2HE   LYS   2          2HE       LYS   2  -3.916  18.670   3.673
   20   1HZ   LYS   2          1HZ       LYS   2  -2.128  19.536   2.335
   21   2HZ   LYS   2          2HZ       LYS   2  -2.690  18.716   0.966
   22   3HZ   LYS   2          3HZ       LYS   2  -2.087  17.844   2.285
   23    H    PHE   3           H        PHE   3  -4.432  12.115   2.012
   24    HA   PHE   3           HA       PHE   3  -5.054  11.681  -0.806
   25   1HB   PHE   3          1HB       PHE   3  -2.889  10.865   1.035
   26   2HB   PHE   3          2HB       PHE   3  -3.363   9.668  -0.149
   27    HD1  PHE   3           HD1      PHE   3  -1.852   9.600  -1.873
   28    HD2  PHE   3           HD2      PHE   3  -2.999  13.377  -0.282
   29    HE1  PHE   3           HE1      PHE   3  -0.476  10.730  -3.571
   30    HE2  PHE   3           HE2      PHE   3  -1.628  14.514  -1.978
   31    HZ   PHE   3           HZ       PHE   3  -0.363  13.188  -3.625
   32    H    ALA   4           H        ALA   4  -5.380   9.359  -1.487
   33    HA   ALA   4           HA       ALA   4  -6.765   7.674   0.438
   34   1HB   ALA   4          1HB       ALA   4  -8.606   9.005  -0.253
   35   2HB   ALA   4          2HB       ALA   4  -8.748   7.463  -1.099
   36   3HB   ALA   4          3HB       ALA   4  -8.142   8.884  -1.950
   37    H    CYS   5           H        CYS   5  -6.681   5.518  -0.074
   38    HA   CYS   5           HA       CYS   5  -4.880   4.758  -2.194
   39   1HB   CYS   5          1HB       CYS   5  -5.100   3.703   0.169
   40   2HB   CYS   5          2HB       CYS   5  -6.443   2.811  -0.522
   41    HG   CYS   5           HG       CYS   5  -4.035   1.567  -0.653
   42    HA   PRO   6           HA       PRO   6  -8.074   3.871  -5.166
   43   1HB   PRO   6          1HB       PRO   6  -6.575   2.625  -7.019
   44   2HB   PRO   6          2HB       PRO   6  -6.442   4.362  -6.725
   45   1HG   PRO   6          1HG       PRO   6  -4.680   2.141  -5.767
   46   2HG   PRO   6          2HG       PRO   6  -4.228   3.733  -6.402
   47   1HD   PRO   6          1HD       PRO   6  -4.310   3.125  -3.734
   48   2HD   PRO   6          2HD       PRO   6  -4.544   4.761  -4.381
   49    H    GLU   7           H        GLU   7  -6.218   1.475  -3.497
   50    HA   GLU   7           HA       GLU   7  -7.833  -0.726  -4.552
   51   1HB   GLU   7          1HB       GLU   7  -5.148  -0.539  -3.886
   52   2HB   GLU   7          2HB       GLU   7  -5.846  -1.407  -2.526
   53   1HG   GLU   7          1HG       GLU   7  -6.775  -3.066  -4.049
   54   2HG   GLU   7          2HG       GLU   7  -6.096  -2.191  -5.421
   55    H    CYS   8           H        CYS   8  -6.894   0.755  -1.446
   56    HA   CYS   8           HA       CYS   8  -9.238  -0.544  -0.211
   57   1HB   CYS   8          1HB       CYS   8  -8.063  -0.567   1.883
   58   2HB   CYS   8          2HB       CYS   8  -7.020  -1.275   0.660
   59    HG   CYS   8           HG       CYS   8  -5.361   0.489   1.044
   60    HA   PRO   9           HA       PRO   9 -10.670   3.458   0.977
   61   1HB   PRO   9          1HB       PRO   9 -12.112   2.922   3.159
   62   2HB   PRO   9          2HB       PRO   9 -12.517   2.214   1.592
   63   1HG   PRO   9          1HG       PRO   9 -11.201   0.968   3.949
   64   2HG   PRO   9          2HG       PRO   9 -12.295   0.245   2.759
   65   1HD   PRO   9          1HD       PRO   9  -9.474   0.076   2.787
   66   2HD   PRO   9          2HD       PRO   9 -10.550  -0.424   1.472
   67    H    LYS  10           H        LYS  10  -7.913   3.188   1.913
   68    HA   LYS  10           HA       LYS  10  -7.963   4.253   4.621
   69   1HB   LYS  10          1HB       LYS  10  -5.567   3.765   2.842
   70   2HB   LYS  10          2HB       LYS  10  -5.539   4.138   4.541
   71   1HG   LYS  10          1HG       LYS  10  -6.969   1.710   3.567
   72   2HG   LYS  10          2HG       LYS  10  -5.222   1.700   3.806
   73   1HD   LYS  10          1HD       LYS  10  -5.440   1.561   6.025
   74   2HD   LYS  10          2HD       LYS  10  -6.622   2.870   6.062
   75   1HE   LYS  10          1HE       LYS  10  -7.253   0.021   5.302
   76   2HE   LYS  10          2HE       LYS  10  -7.483   0.692   6.914
   77   1HZ   LYS  10          1HZ       LYS  10  -8.897   1.416   4.419
   78   2HZ   LYS  10          2HZ       LYS  10  -8.927   2.416   5.782
   79   3HZ   LYS  10          3HZ       LYS  10  -9.555   0.847   5.871
   80    H    ARG  11           H        ARG  11  -6.978   6.255   5.172
   81    HA   ARG  11           HA       ARG  11  -6.565   8.199   3.034
   82   1HB   ARG  11          1HB       ARG  11  -8.047   9.805   4.511
   83   2HB   ARG  11          2HB       ARG  11  -8.780   8.767   3.297
   84   1HG   ARG  11          1HG       ARG  11  -8.527   7.614   6.000
   85   2HG   ARG  11          2HG       ARG  11  -9.653   8.958   5.826
   86   1HD   ARG  11          1HD       ARG  11  -9.652   6.456   4.141
   87   2HD   ARG  11          2HD       ARG  11 -10.730   6.763   5.501
   88    HE   ARG  11           HE       ARG  11 -10.908   7.878   2.845
   89   1HH1  ARG  11          1HH1      ARG  11 -11.897   8.212   6.190
   90   2HH1  ARG  11          2HH1      ARG  11 -13.282   9.176   5.809
   91   1HH2  ARG  11          1HH2      ARG  11 -12.736   9.146   2.355
   92   2HH2  ARG  11          2HH2      ARG  11 -13.760   9.705   3.635
   93    H    PHE  12           H        PHE  12  -4.906   9.522   3.479
   94    HA   PHE  12           HA       PHE  12  -4.098   9.850   6.290
   95   1HB   PHE  12          1HB       PHE  12  -2.159   9.444   4.045
   96   2HB   PHE  12          2HB       PHE  12  -1.794   9.485   5.752
   97    HD1  PHE  12           HD1      PHE  12  -4.122   7.596   3.537
   98    HD2  PHE  12           HD2      PHE  12  -1.223   7.429   6.641
   99    HE1  PHE  12           HE1      PHE  12  -4.354   5.166   3.602
  100    HE2  PHE  12           HE2      PHE  12  -1.454   4.976   6.715
  101    HZ   PHE  12           HZ       PHE  12  -3.027   3.843   5.179
  102    H    MET  13           H        MET  13  -3.208  11.803   6.860
  103    HA   MET  13           HA       MET  13  -3.939  14.066   5.329
  104   1HB   MET  13          1HB       MET  13  -2.511  13.581   7.880
  105   2HB   MET  13          2HB       MET  13  -2.177  15.114   7.087
  106   1HG   MET  13          1HG       MET  13  -4.558  15.635   7.069
  107   2HG   MET  13          2HG       MET  13  -4.904  14.091   7.844
  108   1HE   MET  13          1HE       MET  13  -6.208  16.359   9.584
  109   2HE   MET  13          2HE       MET  13  -5.580  15.708  11.099
  110   3HE   MET  13          3HE       MET  13  -6.048  14.616   9.796
  111    H    ARG  14           H        ARG  14  -0.992  12.194   5.543
  112    HA   ARG  14           HA       ARG  14   0.441  14.150   3.894
  113   1HB   ARG  14          1HB       ARG  14   1.358  11.749   5.465
  114   2HB   ARG  14          2HB       ARG  14   2.404  12.587   4.334
  115   1HG   ARG  14          1HG       ARG  14   3.011  13.789   6.113
  116   2HG   ARG  14          2HG       ARG  14   1.495  14.652   5.847
  117   1HD   ARG  14          1HD       ARG  14   0.660  13.919   7.774
  118   2HD   ARG  14          2HD       ARG  14   1.040  12.244   7.362
  119    HE   ARG  14           HE       ARG  14   3.417  13.444   8.139
  120   1HH1  ARG  14          1HH1      ARG  14   0.324  12.667   9.585
  121   2HH1  ARG  14          2HH1      ARG  14   0.975  12.499  11.180
  122   1HH2  ARG  14          1HH2      ARG  14   4.269  13.219  10.239
  123   2HH2  ARG  14          2HH2      ARG  14   3.215  12.813  11.553
  124    H    SER  15           H        SER  15   1.673  13.375   2.048
  125    HA   SER  15           HA       SER  15   0.109  11.510   0.470
  126   1HB   SER  15          1HB       SER  15   0.581  13.230  -0.893
  127   2HB   SER  15          2HB       SER  15   2.105  13.618  -0.099
  128    HG   SER  15           HG       SER  15   3.118  12.366  -1.467
  129    H    ASP  16           H        ASP  16   3.486  11.875   1.526
  130    HA   ASP  16           HA       ASP  16   4.401   9.446   0.397
  131   1HB   ASP  16          1HB       ASP  16   5.607  11.611   1.586
  132   2HB   ASP  16          2HB       ASP  16   5.834  10.347   2.790
  133    H    HIS  17           H        HIS  17   3.064  10.276   3.557
  134    HA   HIS  17           HA       HIS  17   3.662   7.881   4.896
  135   1HB   HIS  17          1HB       HIS  17   1.703  10.084   5.277
  136   2HB   HIS  17          2HB       HIS  17   1.390   8.573   6.116
  137    HD1  HIS  17           HD1      HIS  17   1.780  10.026   8.311
  138    HD2  HIS  17           HD2      HIS  17   5.122   9.447   5.911
  139    HE1  HIS  17           HE1      HIS  17   3.750  10.624   9.743
  140    HE2  HIS  17           HE2      HIS  17   5.757  10.351   8.249
  141    H    LEU  18           H        LEU  18   0.645   8.845   3.209
  142    HA   LEU  18           HA       LEU  18  -0.698   6.413   3.543
  143   1HB   LEU  18          1HB       LEU  18  -1.765   8.482   2.771
  144   2HB   LEU  18          2HB       LEU  18  -0.904   8.378   1.262
  145    HG   LEU  18           HG       LEU  18  -2.742   6.172   2.128
  146   1HD1  LEU  18          1HD1      LEU  18  -3.568   8.811   1.743
  147   2HD1  LEU  18          2HD1      LEU  18  -4.576   7.363   1.805
  148   3HD1  LEU  18          3HD1      LEU  18  -3.977   7.952   0.257
  149   1HD2  LEU  18          1HD2      LEU  18  -1.681   5.404   0.291
  150   2HD2  LEU  18          2HD2      LEU  18  -1.368   7.023  -0.345
  151   3HD2  LEU  18          3HD2      LEU  18  -2.971   6.304  -0.510
  152    H    THR  19           H        THR  19   1.434   7.554   0.948
  153    HA   THR  19           HA       THR  19   1.190   5.314  -0.698
  154    HB   THR  19           HB       THR  19   3.545   7.193  -0.389
  155    HG1  THR  19           HG1      THR  19   2.083   8.488  -1.185
  156   1HG2  THR  19          1HG2      THR  19   3.999   6.598  -2.777
  157   2HG2  THR  19          2HG2      THR  19   2.887   5.244  -2.578
  158   3HG2  THR  19          3HG2      THR  19   4.354   5.329  -1.604
  159    H    LEU  20           H        LEU  20   3.173   5.923   2.141
  160    HA   LEU  20           HA       LEU  20   4.939   3.725   1.859
  161   1HB   LEU  20          1HB       LEU  20   5.151   5.716   3.439
  162   2HB   LEU  20          2HB       LEU  20   3.994   4.899   4.472
  163    HG   LEU  20           HG       LEU  20   5.645   2.924   4.442
  164   1HD1  LEU  20          1HD1      LEU  20   7.478   5.134   3.524
  165   2HD1  LEU  20          2HD1      LEU  20   7.027   3.706   2.593
  166   3HD1  LEU  20          3HD1      LEU  20   7.978   3.533   4.067
  167   1HD2  LEU  20          1HD2      LEU  20   5.217   4.351   6.388
  168   2HD2  LEU  20          2HD2      LEU  20   6.426   5.496   5.808
  169   3HD2  LEU  20          3HD2      LEU  20   6.912   3.870   6.288
  170    H    HIS  21           H        HIS  21   1.732   4.109   3.244
  171    HA   HIS  21           HA       HIS  21   1.472   1.651   4.548
  172   1HB   HIS  21          1HB       HIS  21  -0.549   2.510   5.031
  173   2HB   HIS  21          2HB       HIS  21  -0.120   3.909   4.087
  174    HD1  HIS  21           HD1      HIS  21  -2.159   4.486   2.760
  175    HD2  HIS  21           HD2      HIS  21  -1.417   0.419   2.753
  176    HE1  HIS  21           HE1      HIS  21  -3.924   3.428   1.295
  177    H    ILE  22           H        ILE  22   0.509   2.633   1.304
  178    HA   ILE  22           HA       ILE  22  -0.700   0.332   0.452
  179    HB   ILE  22           HB       ILE  22   0.951   2.034  -1.407
  180   1HG1  ILE  22          1HG1      ILE  22  -1.925   2.607  -0.889
  181   2HG1  ILE  22          2HG1      ILE  22  -0.779   3.168   0.305
  182   1HG2  ILE  22          1HG2      ILE  22  -0.380   1.232  -3.098
  183   2HG2  ILE  22          2HG2      ILE  22  -1.737   0.911  -2.016
  184   3HG2  ILE  22          3HG2      ILE  22  -0.350  -0.179  -2.040
  185   1HD1  ILE  22          1HD1      ILE  22   0.332   3.964  -2.075
  186   2HD1  ILE  22          2HD1      ILE  22  -0.588   4.968  -0.957
  187   3HD1  ILE  22          3HD1      ILE  22  -1.398   4.196  -2.317
  188    H    LEU  23           H        LEU  23   2.646   0.660   1.121
  189    HA   LEU  23           HA       LEU  23   3.818  -1.142  -0.636
  190   1HB   LEU  23          1HB       LEU  23   4.375  -0.318   2.178
  191   2HB   LEU  23          2HB       LEU  23   5.225  -1.712   1.541
  192    HG   LEU  23           HG       LEU  23   5.246   0.864   0.013
  193   1HD1  LEU  23          1HD1      LEU  23   6.745   0.229   2.519
  194   2HD1  LEU  23          2HD1      LEU  23   5.992   1.741   2.014
  195   3HD1  LEU  23          3HD1      LEU  23   7.495   1.213   1.261
  196   1HD2  LEU  23          1HD2      LEU  23   7.384   0.011  -0.770
  197   2HD2  LEU  23          2HD2      LEU  23   6.110  -1.181  -1.032
  198   3HD2  LEU  23          3HD2      LEU  23   7.242  -1.380   0.306
  199    H    LEU  24           H        LEU  24   1.776  -1.720   2.192
  200    HA   LEU  24           HA       LEU  24   2.245  -4.456   2.557
  201   1HB   LEU  24          1HB       LEU  24  -0.116  -4.515   3.474
  202   2HB   LEU  24          2HB       LEU  24   1.007  -3.412   4.242
  203    HG   LEU  24           HG       LEU  24  -0.173  -1.781   2.392
  204   1HD1  LEU  24          1HD1      LEU  24  -2.513  -2.128   2.356
  205   2HD1  LEU  24          2HD1      LEU  24  -2.397  -3.479   3.489
  206   3HD1  LEU  24          3HD1      LEU  24  -1.765  -3.645   1.849
  207   1HD2  LEU  24          1HD2      LEU  24   0.278  -1.515   4.878
  208   2HD2  LEU  24          2HD2      LEU  24  -1.314  -2.231   5.130
  209   3HD2  LEU  24          3HD2      LEU  24  -1.159  -0.718   4.239
  210    H    HIS  25           H        HIS  25   0.020  -2.804   0.349
  211    HA   HIS  25           HA       HIS  25  -1.420  -5.001  -0.572
  212   1HB   HIS  25          1HB       HIS  25  -0.617  -2.442  -1.961
  213   2HB   HIS  25          2HB       HIS  25  -1.687  -3.630  -2.698
  214    HD1  HIS  25           HD1      HIS  25  -3.852  -4.219  -0.944
  215    HD2  HIS  25           HD2      HIS  25  -1.973  -0.524  -0.691
  216    HE1  HIS  25           HE1      HIS  25  -5.477  -2.672   0.223
  217    H    GLU  26           H        GLU  26   1.706  -3.729  -1.670
  218    HA   GLU  26           HA       GLU  26   1.974  -5.688  -3.760
  219   1HB   GLU  26          1HB       GLU  26   4.003  -3.789  -2.566
  220   2HB   GLU  26          2HB       GLU  26   4.264  -4.773  -3.999
  221   1HG   GLU  26          1HG       GLU  26   3.259  -3.290  -5.302
  222   2HG   GLU  26          2HG       GLU  26   1.855  -3.203  -4.239
  223    H    ASN  27           H        ASN  27   3.865  -5.063  -0.786
  224    HA   ASN  27           HA       ASN  27   4.940  -7.756  -0.859
  225   1HB   ASN  27          1HB       ASN  27   5.702  -5.240   0.330
  226   2HB   ASN  27          2HB       ASN  27   5.691  -6.506   1.554
  227   1HD2  ASN  27          1HD2      ASN  27   6.936  -5.669  -1.640
  228   2HD2  ASN  27          2HD2      ASN  27   8.369  -6.628  -1.526
  229    H    LYS  28           H        LYS  28   3.765  -9.380  -0.096
  230    HA   LYS  28           HA       LYS  28   2.432  -9.063   2.495
  231   1HB   LYS  28          1HB       LYS  28   0.465 -10.318   1.673
  232   2HB   LYS  28          2HB       LYS  28   0.663  -8.769   0.868
  233   1HG   LYS  28          1HG       LYS  28   2.026 -10.418  -0.810
  234   2HG   LYS  28          2HG       LYS  28   0.753 -11.488  -0.218
  235   1HD   LYS  28          1HD       LYS  28   0.023  -8.736  -1.106
  236   2HD   LYS  28          2HD       LYS  28   0.376  -9.958  -2.328
  237   1HE   LYS  28          1HE       LYS  28  -1.343 -11.071  -0.326
  238   2HE   LYS  28          2HE       LYS  28  -2.029  -9.557  -0.915
  239   1HZ   LYS  28          1HZ       LYS  28  -2.771 -11.455  -2.222
  240   2HZ   LYS  28          2HZ       LYS  28  -1.172 -11.834  -2.621
  241   3HZ   LYS  28          3HZ       LYS  28  -1.860 -10.389  -3.171
  242    H    LYS  29           H        LYS  29   2.593 -10.797   3.828
  243    HA   LYS  29           HA       LYS  29   3.324 -13.405   2.804
  244   1HB   LYS  29          1HB       LYS  29   5.393 -13.627   3.987
  245   2HB   LYS  29          2HB       LYS  29   5.488 -12.168   3.014
  246   1HG   LYS  29          1HG       LYS  29   4.705 -12.070   5.908
  247   2HG   LYS  29          2HG       LYS  29   6.394 -12.087   5.401
  248   1HD   LYS  29          1HD       LYS  29   5.888 -10.098   3.962
  249   2HD   LYS  29          2HD       LYS  29   4.292 -10.039   4.711
  250   1HE   LYS  29          1HE       LYS  29   6.825  -9.997   6.326
  251   2HE   LYS  29          2HE       LYS  29   6.095  -8.525   5.688
  252   1HZ   LYS  29          1HZ       LYS  29   4.847 -10.448   7.575
  253   2HZ   LYS  29          2HZ       LYS  29   4.039  -9.133   6.882
  254   3HZ   LYS  29          3HZ       LYS  29   5.348  -8.869   7.920
  Start of MODEL   18
    1    H    TYR   1           H        TYR   1  -9.005  13.926   6.762
    2    HA   TYR   1           HA       TYR   1  -7.260  11.877   5.578
    3   1HB   TYR   1          1HB       TYR   1 -10.238  12.408   5.407
    4   2HB   TYR   1          2HB       TYR   1  -9.386  11.067   4.653
    5    HD1  TYR   1           HD1      TYR   1 -11.576  11.667   7.124
    6    HD2  TYR   1           HD2      TYR   1  -7.714   9.940   6.659
    7    HE1  TYR   1           HE1      TYR   1 -11.943  10.317   9.144
    8    HE2  TYR   1           HE2      TYR   1  -8.072   8.584   8.679
    9    HH   TYR   1           HH       TYR   1 -10.711   7.810   9.933
   10    H    LYS   2           H        LYS   2  -6.018  13.014   4.145
   11    HA   LYS   2           HA       LYS   2  -7.300  14.972   2.393
   12   1HB   LYS   2          1HB       LYS   2  -4.513  14.390   3.219
   13   2HB   LYS   2          2HB       LYS   2  -4.729  14.981   1.579
   14   1HG   LYS   2          1HG       LYS   2  -4.690  17.023   2.445
   15   2HG   LYS   2          2HG       LYS   2  -6.297  16.680   3.087
   16   1HD   LYS   2          1HD       LYS   2  -5.423  16.035   5.188
   17   2HD   LYS   2          2HD       LYS   2  -3.775  15.959   4.561
   18   1HE   LYS   2          1HE       LYS   2  -4.589  18.558   4.031
   19   2HE   LYS   2          2HE       LYS   2  -5.256  18.214   5.627
   20   1HZ   LYS   2          1HZ       LYS   2  -3.044  17.552   6.361
   21   2HZ   LYS   2          2HZ       LYS   2  -3.041  19.144   5.791
   22   3HZ   LYS   2          3HZ       LYS   2  -2.409  17.903   4.831
   23    H    PHE   3           H        PHE   3  -5.138  12.143   2.033
   24    HA   PHE   3           HA       PHE   3  -6.057  11.844  -0.729
   25   1HB   PHE   3          1HB       PHE   3  -3.617  11.118   0.769
   26   2HB   PHE   3          2HB       PHE   3  -4.152   9.940  -0.415
   27    HD1  PHE   3           HD1      PHE   3  -4.340  10.587  -2.805
   28    HD2  PHE   3           HD2      PHE   3  -2.627  13.165   0.117
   29    HE1  PHE   3           HE1      PHE   3  -3.289  11.910  -4.593
   30    HE2  PHE   3           HE2      PHE   3  -1.574  14.493  -1.666
   31    HZ   PHE   3           HZ       PHE   3  -1.905  13.866  -4.025
   32    H    ALA   4           H        ALA   4  -6.057   9.409  -1.423
   33    HA   ALA   4           HA       ALA   4  -7.175   7.608   0.550
   34   1HB   ALA   4          1HB       ALA   4  -9.165   8.814  -0.048
   35   2HB   ALA   4          2HB       ALA   4  -9.241   7.208  -0.773
   36   3HB   ALA   4          3HB       ALA   4  -8.827   8.605  -1.766
   37    H    CYS   5           H        CYS   5  -6.770   5.504   0.052
   38    HA   CYS   5           HA       CYS   5  -5.015   4.918  -2.100
   39   1HB   CYS   5          1HB       CYS   5  -5.283   3.721   0.197
   40   2HB   CYS   5          2HB       CYS   5  -6.535   2.796  -0.618
   41    HG   CYS   5           HG       CYS   5  -4.073   1.683  -0.704
   42    HA   PRO   6           HA       PRO   6  -8.004   4.128  -5.293
   43   1HB   PRO   6          1HB       PRO   6  -6.393   2.841  -7.047
   44   2HB   PRO   6          2HB       PRO   6  -6.301   4.584  -6.773
   45   1HG   PRO   6          1HG       PRO   6  -4.579   2.399  -5.670
   46   2HG   PRO   6          2HG       PRO   6  -4.105   3.985  -6.305
   47   1HD   PRO   6          1HD       PRO   6  -4.308   3.456  -3.649
   48   2HD   PRO   6          2HD       PRO   6  -4.612   5.064  -4.339
   49    H    GLU   7           H        GLU   7  -6.205   1.612  -3.674
   50    HA   GLU   7           HA       GLU   7  -7.944  -0.467  -4.788
   51   1HB   GLU   7          1HB       GLU   7  -5.436  -0.755  -4.750
   52   2HB   GLU   7          2HB       GLU   7  -5.542  -0.839  -2.997
   53   1HG   GLU   7          1HG       GLU   7  -7.412  -2.661  -4.186
   54   2HG   GLU   7          2HG       GLU   7  -5.797  -2.930  -4.838
   55    H    CYS   8           H        CYS   8  -6.801   0.745  -1.622
   56    HA   CYS   8           HA       CYS   8  -9.090  -0.621  -0.364
   57   1HB   CYS   8          1HB       CYS   8  -7.878  -0.690   1.664
   58   2HB   CYS   8          2HB       CYS   8  -6.739  -1.154   0.415
   59    HG   CYS   8           HG       CYS   8  -5.300   0.679   1.133
   60    HA   PRO   9           HA       PRO   9 -10.728   3.261   0.962
   61   1HB   PRO   9          1HB       PRO   9 -12.053   2.582   3.176
   62   2HB   PRO   9          2HB       PRO   9 -12.463   1.871   1.610
   63   1HG   PRO   9          1HG       PRO   9 -10.976   0.686   3.899
   64   2HG   PRO   9          2HG       PRO   9 -12.057  -0.096   2.733
   65   1HD   PRO   9          1HD       PRO   9  -9.228  -0.050   2.660
   66   2HD   PRO   9          2HD       PRO   9 -10.311  -0.620   1.381
   67    H    LYS  10           H        LYS  10  -7.907   3.027   1.849
   68    HA   LYS  10           HA       LYS  10  -7.943   4.109   4.551
   69   1HB   LYS  10          1HB       LYS  10  -5.608   3.568   2.714
   70   2HB   LYS  10          2HB       LYS  10  -5.484   4.102   4.362
   71   1HG   LYS  10          1HG       LYS  10  -7.068   1.666   4.002
   72   2HG   LYS  10          2HG       LYS  10  -5.361   1.522   3.579
   73   1HD   LYS  10          1HD       LYS  10  -5.062   2.789   5.888
   74   2HD   LYS  10          2HD       LYS  10  -6.633   2.054   6.214
   75   1HE   LYS  10          1HE       LYS  10  -5.044   0.516   7.018
   76   2HE   LYS  10          2HE       LYS  10  -5.595  -0.142   5.479
   77   1HZ   LYS  10          1HZ       LYS  10  -3.132  -0.189   5.869
   78   2HZ   LYS  10          2HZ       LYS  10  -3.138   1.497   5.735
   79   3HZ   LYS  10          3HZ       LYS  10  -3.616   0.543   4.423
   80    H    ARG  11           H        ARG  11  -7.013   6.120   5.080
   81    HA   ARG  11           HA       ARG  11  -6.667   8.059   2.923
   82   1HB   ARG  11          1HB       ARG  11  -8.552   8.411   5.247
   83   2HB   ARG  11          2HB       ARG  11  -8.061   9.701   4.173
   84   1HG   ARG  11          1HG       ARG  11 -10.001   9.160   3.155
   85   2HG   ARG  11          2HG       ARG  11  -8.959   7.988   2.345
   86   1HD   ARG  11          1HD       ARG  11  -9.663   6.239   3.796
   87   2HD   ARG  11          2HD       ARG  11 -10.478   7.373   4.870
   88    HE   ARG  11           HE       ARG  11 -12.299   7.302   3.498
   89   1HH1  ARG  11          1HH1      ARG  11  -9.550   6.063   1.712
   90   2HH1  ARG  11          2HH1      ARG  11 -10.506   5.541   0.367
   91   1HH2  ARG  11          1HH2      ARG  11 -13.549   6.610   1.722
   92   2HH2  ARG  11          2HH2      ARG  11 -12.775   5.852   0.372
   93    H    PHE  12           H        PHE  12  -5.185   9.626   3.361
   94    HA   PHE  12           HA       PHE  12  -4.120   9.838   6.080
   95   1HB   PHE  12          1HB       PHE  12  -2.318   9.444   3.718
   96   2HB   PHE  12          2HB       PHE  12  -1.846   9.504   5.401
   97    HD1  PHE  12           HD1      PHE  12  -4.172   7.553   3.227
   98    HD2  PHE  12           HD2      PHE  12  -1.311   7.487   6.376
   99    HE1  PHE  12           HE1      PHE  12  -4.355   5.117   3.329
  100    HE2  PHE  12           HE2      PHE  12  -1.492   5.031   6.483
  101    HZ   PHE  12           HZ       PHE  12  -3.016   3.845   4.944
  102    H    MET  13           H        MET  13  -3.152  11.781   6.590
  103    HA   MET  13           HA       MET  13  -3.905  14.022   4.962
  104   1HB   MET  13          1HB       MET  13  -2.362  13.813   7.548
  105   2HB   MET  13          2HB       MET  13  -2.732  15.343   6.767
  106   1HG   MET  13          1HG       MET  13  -5.159  13.944   6.938
  107   2HG   MET  13          2HG       MET  13  -4.357  13.746   8.495
  108   1HE   MET  13          1HE       MET  13  -3.193  15.524   9.636
  109   2HE   MET  13          2HE       MET  13  -4.656  16.092  10.438
  110   3HE   MET  13          3HE       MET  13  -3.593  17.242   9.628
  111    H    ARG  14           H        ARG  14  -1.049  12.104   5.382
  112    HA   ARG  14           HA       ARG  14   0.618  14.070   3.985
  113   1HB   ARG  14          1HB       ARG  14   1.356  11.468   5.341
  114   2HB   ARG  14          2HB       ARG  14   2.496  12.569   4.580
  115   1HG   ARG  14          1HG       ARG  14   2.434  14.042   6.296
  116   2HG   ARG  14          2HG       ARG  14   0.738  13.718   6.659
  117   1HD   ARG  14          1HD       ARG  14   1.489  12.562   8.416
  118   2HD   ARG  14          2HD       ARG  14   1.963  11.327   7.248
  119    HE   ARG  14           HE       ARG  14   4.185  12.085   7.375
  120   1HH1  ARG  14          1HH1      ARG  14   2.081  13.889   9.525
  121   2HH1  ARG  14          2HH1      ARG  14   3.387  14.496  10.483
  122   1HH2  ARG  14          1HH2      ARG  14   5.893  12.892   8.644
  123   2HH2  ARG  14          2HH2      ARG  14   5.548  13.934   9.985
  124    H    SER  15           H        SER  15   1.967  13.345   2.196
  125    HA   SER  15           HA       SER  15   0.496  11.528   0.450
  126   1HB   SER  15          1HB       SER  15   0.928  13.135  -1.000
  127   2HB   SER  15          2HB       SER  15   2.110  13.896   0.059
  128    HG   SER  15           HG       SER  15   3.679  12.919  -0.987
  129    H    ASP  16           H        ASP  16   3.809  12.011   1.662
  130    HA   ASP  16           HA       ASP  16   4.885   9.697   0.425
  131   1HB   ASP  16          1HB       ASP  16   5.992  11.845   1.626
  132   2HB   ASP  16          2HB       ASP  16   6.154  10.658   2.914
  133    H    HIS  17           H        HIS  17   3.807  10.322   3.771
  134    HA   HIS  17           HA       HIS  17   4.367   7.765   4.783
  135   1HB   HIS  17          1HB       HIS  17   2.599  10.014   5.615
  136   2HB   HIS  17          2HB       HIS  17   2.309   8.436   6.337
  137    HD1  HIS  17           HD1      HIS  17   3.042   9.562   8.609
  138    HD2  HIS  17           HD2      HIS  17   6.026   9.248   5.735
  139    HE1  HIS  17           HE1      HIS  17   5.196   9.957   9.830
  140    HE2  HIS  17           HE2      HIS  17   6.981   9.864   8.058
  141    H    LEU  18           H        LEU  18   1.462   9.060   3.213
  142    HA   LEU  18           HA       LEU  18  -0.240   6.881   3.569
  143   1HB   LEU  18          1HB       LEU  18  -0.866   9.109   2.668
  144   2HB   LEU  18          2HB       LEU  18  -0.077   8.694   1.166
  145    HG   LEU  18           HG       LEU  18  -2.261   6.953   2.224
  146   1HD1  LEU  18          1HD1      LEU  18  -2.516   9.641   0.963
  147   2HD1  LEU  18          2HD1      LEU  18  -3.426   8.942   2.300
  148   3HD1  LEU  18          3HD1      LEU  18  -3.727   8.397   0.651
  149   1HD2  LEU  18          1HD2      LEU  18  -1.641   5.879   0.374
  150   2HD2  LEU  18          2HD2      LEU  18  -0.750   7.271  -0.247
  151   3HD2  LEU  18          3HD2      LEU  18  -2.494   7.163  -0.487
  152    H    THR  19           H        THR  19   2.026   7.603   0.919
  153    HA   THR  19           HA       THR  19   1.471   5.321  -0.593
  154    HB   THR  19           HB       THR  19   4.101   6.815  -0.443
  155    HG1  THR  19           HG1      THR  19   2.891   8.382  -1.153
  156   1HG2  THR  19          1HG2      THR  19   4.272   6.182  -2.846
  157   2HG2  THR  19          2HG2      THR  19   2.914   5.084  -2.593
  158   3HG2  THR  19          3HG2      THR  19   4.424   4.835  -1.716
  159    H    LEU  20           H        LEU  20   3.586   5.847   2.168
  160    HA   LEU  20           HA       LEU  20   5.124   3.503   2.018
  161   1HB   LEU  20          1HB       LEU  20   5.397   5.512   3.584
  162   2HB   LEU  20          2HB       LEU  20   4.178   4.755   4.590
  163    HG   LEU  20           HG       LEU  20   6.017   2.724   4.178
  164   1HD1  LEU  20          1HD1      LEU  20   8.179   3.678   4.737
  165   2HD1  LEU  20          2HD1      LEU  20   7.496   5.302   4.681
  166   3HD1  LEU  20          3HD1      LEU  20   7.589   4.334   3.210
  167   1HD2  LEU  20          1HD2      LEU  20   4.830   3.220   6.249
  168   2HD2  LEU  20          2HD2      LEU  20   5.814   4.665   6.476
  169   3HD2  LEU  20          3HD2      LEU  20   6.565   3.071   6.534
  170    H    HIS  21           H        HIS  21   1.882   4.129   3.224
  171    HA   HIS  21           HA       HIS  21   1.403   1.716   4.564
  172   1HB   HIS  21          1HB       HIS  21  -0.567   2.728   4.951
  173   2HB   HIS  21          2HB       HIS  21  -0.039   4.059   3.960
  174    HD1  HIS  21           HD1      HIS  21  -1.996   4.677   2.524
  175    HD2  HIS  21           HD2      HIS  21  -1.482   0.579   2.748
  176    HE1  HIS  21           HE1      HIS  21  -3.801   3.638   1.093
  177    H    ILE  22           H        ILE  22   0.630   2.710   1.279
  178    HA   ILE  22           HA       ILE  22  -0.650   0.452   0.400
  179    HB   ILE  22           HB       ILE  22   1.101   2.128  -1.389
  180   1HG1  ILE  22          1HG1      ILE  22  -1.772   2.768  -0.971
  181   2HG1  ILE  22          2HG1      ILE  22  -0.674   3.246   0.300
  182   1HG2  ILE  22          1HG2      ILE  22  -0.083   1.292  -3.132
  183   2HG2  ILE  22          2HG2      ILE  22  -1.575   1.180  -2.195
  184   3HG2  ILE  22          3HG2      ILE  22  -0.333  -0.062  -2.029
  185   1HD1  ILE  22          1HD1      ILE  22   0.605   4.130  -1.935
  186   2HD1  ILE  22          2HD1      ILE  22  -0.425   5.098  -0.879
  187   3HD1  ILE  22          3HD1      ILE  22  -1.095   4.369  -2.337
  188    H    LEU  23           H        LEU  23   2.666   0.614   1.205
  189    HA   LEU  23           HA       LEU  23   3.773  -1.239  -0.579
  190   1HB   LEU  23          1HB       LEU  23   4.432  -0.250   2.134
  191   2HB   LEU  23          2HB       LEU  23   5.129  -1.796   1.690
  192    HG   LEU  23           HG       LEU  23   6.090  -0.703  -0.349
  193   1HD1  LEU  23          1HD1      LEU  23   4.653   1.180  -0.615
  194   2HD1  LEU  23          2HD1      LEU  23   6.269   1.789  -0.257
  195   3HD1  LEU  23          3HD1      LEU  23   5.034   1.772   1.001
  196   1HD2  LEU  23          1HD2      LEU  23   7.942   0.267   0.806
  197   2HD2  LEU  23          2HD2      LEU  23   7.343  -1.078   1.778
  198   3HD2  LEU  23          3HD2      LEU  23   6.956   0.581   2.234
  199    H    LEU  24           H        LEU  24   1.691  -1.664   2.228
  200    HA   LEU  24           HA       LEU  24   2.101  -4.398   2.703
  201   1HB   LEU  24          1HB       LEU  24  -0.269  -4.366   3.602
  202   2HB   LEU  24          2HB       LEU  24   0.880  -3.273   4.346
  203    HG   LEU  24           HG       LEU  24  -0.238  -1.663   2.444
  204   1HD1  LEU  24          1HD1      LEU  24  -1.874  -3.488   1.922
  205   2HD1  LEU  24          2HD1      LEU  24  -2.585  -1.940   2.388
  206   3HD1  LEU  24          3HD1      LEU  24  -2.522  -3.270   3.548
  207   1HD2  LEU  24          1HD2      LEU  24  -1.419  -2.013   5.180
  208   2HD2  LEU  24          2HD2      LEU  24  -1.223  -0.527   4.250
  209   3HD2  LEU  24          3HD2      LEU  24   0.190  -1.339   4.925
  210    H    HIS  25           H        HIS  25   0.007  -2.765   0.375
  211    HA   HIS  25           HA       HIS  25  -1.522  -4.956  -0.446
  212   1HB   HIS  25          1HB       HIS  25  -0.671  -2.470  -1.930
  213   2HB   HIS  25          2HB       HIS  25  -1.808  -3.643  -2.587
  214    HD1  HIS  25           HD1      HIS  25  -3.607  -4.169  -0.182
  215    HD2  HIS  25           HD2      HIS  25  -2.226  -0.394  -1.229
  216    HE1  HIS  25           HE1      HIS  25  -5.217  -2.513   0.843
  217    H    GLU  26           H        GLU  26   1.765  -4.092  -1.246
  218    HA   GLU  26           HA       GLU  26   2.170  -5.411  -3.637
  219   1HB   GLU  26          1HB       GLU  26   3.797  -4.013  -2.170
  220   2HB   GLU  26          2HB       GLU  26   4.211  -5.558  -1.439
  221   1HG   GLU  26          1HG       GLU  26   5.016  -6.415  -3.496
  222   2HG   GLU  26          2HG       GLU  26   4.349  -5.054  -4.398
  223    H    ASN  27           H        ASN  27   2.203  -6.775  -0.353
  224    HA   ASN  27           HA       ASN  27   1.976  -9.456  -1.548
  225   1HB   ASN  27          1HB       ASN  27   4.195  -8.508  -0.114
  226   2HB   ASN  27          2HB       ASN  27   3.319  -9.534   1.018
  227   1HD2  ASN  27          1HD2      ASN  27   4.827  -9.428  -2.155
  228   2HD2  ASN  27          2HD2      ASN  27   5.120 -11.126  -2.274
  229    H    LYS  28           H        LYS  28   1.683 -10.937   0.767
  230    HA   LYS  28           HA       LYS  28  -0.406  -9.711   2.372
  231   1HB   LYS  28          1HB       LYS  28  -1.971 -11.626   1.934
  232   2HB   LYS  28          2HB       LYS  28  -1.756 -10.525   0.582
  233   1HG   LYS  28          1HG       LYS  28   0.032 -12.227  -0.204
  234   2HG   LYS  28          2HG       LYS  28  -0.782 -13.331   0.906
  235   1HD   LYS  28          1HD       LYS  28  -2.261 -11.771  -1.202
  236   2HD   LYS  28          2HD       LYS  28  -1.560 -13.361  -1.515
  237   1HE   LYS  28          1HE       LYS  28  -3.530 -14.160  -0.809
  238   2HE   LYS  28          2HE       LYS  28  -2.934 -13.793   0.808
  239   1HZ   LYS  28          1HZ       LYS  28  -4.029 -11.649   0.699
  240   2HZ   LYS  28          2HZ       LYS  28  -5.148 -12.889   0.432
  241   3HZ   LYS  28          3HZ       LYS  28  -4.577 -11.972  -0.869
  242    H    LYS  29           H        LYS  29   0.024 -10.208   4.404
  243    HA   LYS  29           HA       LYS  29   1.200 -12.845   5.002
  244   1HB   LYS  29          1HB       LYS  29   2.306 -11.721   6.963
  245   2HB   LYS  29          2HB       LYS  29   2.914 -11.237   5.388
  246   1HG   LYS  29          1HG       LYS  29   2.196  -9.109   5.612
  247   2HG   LYS  29          2HG       LYS  29   0.751  -9.573   6.510
  248   1HD   LYS  29          1HD       LYS  29   3.495  -9.763   7.718
  249   2HD   LYS  29          2HD       LYS  29   2.562  -8.266   7.761
  250   1HE   LYS  29          1HE       LYS  29   1.511  -9.020   9.567
  251   2HE   LYS  29          2HE       LYS  29   0.814 -10.308   8.586
  252   1HZ   LYS  29          1HZ       LYS  29   1.975 -11.185  10.514
  253   2HZ   LYS  29          2HZ       LYS  29   3.414 -10.447  10.019
  254   3HZ   LYS  29          3HZ       LYS  29   2.735 -11.684   9.087
  Start of MODEL   19
    1    H    TYR   1           H        TYR   1 -10.520  14.219   4.989
    2    HA   TYR   1           HA       TYR   1  -7.774  13.198   5.183
    3   1HB   TYR   1          1HB       TYR   1 -10.150  12.152   3.636
    4   2HB   TYR   1          2HB       TYR   1  -8.666  11.300   4.046
    5    HD1  TYR   1           HD1      TYR   1  -8.256  11.361   6.774
    6    HD2  TYR   1           HD2      TYR   1 -12.011  11.438   4.772
    7    HE1  TYR   1           HE1      TYR   1  -9.341  10.453   8.784
    8    HE2  TYR   1           HE2      TYR   1 -13.105  10.531   6.777
    9    HH   TYR   1           HH       TYR   1 -12.287  10.649   9.533
   10    H    LYS   2           H        LYS   2  -6.377  13.557   3.561
   11    HA   LYS   2           HA       LYS   2  -7.248  15.291   1.377
   12   1HB   LYS   2          1HB       LYS   2  -4.655  14.703   2.699
   13   2HB   LYS   2          2HB       LYS   2  -4.602  15.144   0.998
   14   1HG   LYS   2          1HG       LYS   2  -4.956  17.289   1.449
   15   2HG   LYS   2          2HG       LYS   2  -6.314  16.920   2.512
   16   1HD   LYS   2          1HD       LYS   2  -3.756  16.196   3.690
   17   2HD   LYS   2          2HD       LYS   2  -3.846  17.910   3.281
   18   1HE   LYS   2          1HE       LYS   2  -4.634  17.651   5.520
   19   2HE   LYS   2          2HE       LYS   2  -6.022  18.012   4.497
   20   1HZ   LYS   2          1HZ       LYS   2  -5.390  15.195   4.953
   21   2HZ   LYS   2          2HZ       LYS   2  -6.892  15.955   4.791
   22   3HZ   LYS   2          3HZ       LYS   2  -6.045  16.061   6.252
   23    H    PHE   3           H        PHE   3  -5.231  12.357   1.751
   24    HA   PHE   3           HA       PHE   3  -5.761  11.711  -1.058
   25   1HB   PHE   3          1HB       PHE   3  -3.555  11.164   0.840
   26   2HB   PHE   3          2HB       PHE   3  -3.931   9.891  -0.305
   27    HD1  PHE   3           HD1      PHE   3  -2.708  13.311   0.094
   28    HD2  PHE   3           HD2      PHE   3  -3.513  10.173  -2.666
   29    HE1  PHE   3           HE1      PHE   3  -1.393  14.486  -1.620
   30    HE2  PHE   3           HE2      PHE   3  -2.198  11.343  -4.386
   31    HZ   PHE   3           HZ       PHE   3  -1.136  13.503  -3.863
   32    H    ALA   4           H        ALA   4  -5.854   9.291  -1.508
   33    HA   ALA   4           HA       ALA   4  -7.075   7.650   0.538
   34   1HB   ALA   4          1HB       ALA   4  -9.145   7.246  -0.720
   35   2HB   ALA   4          2HB       ALA   4  -8.666   8.472  -1.893
   36   3HB   ALA   4          3HB       ALA   4  -9.000   8.932  -0.223
   37    H    CYS   5           H        CYS   5  -6.899   5.464   0.096
   38    HA   CYS   5           HA       CYS   5  -5.065   4.731  -1.974
   39   1HB   CYS   5          1HB       CYS   5  -5.318   3.647   0.349
   40   2HB   CYS   5          2HB       CYS   5  -6.671   2.770  -0.349
   41    HG   CYS   5           HG       CYS   5  -3.829   2.480  -1.571
   42    HA   PRO   6           HA       PRO   6  -8.071   3.815  -5.114
   43   1HB   PRO   6          1HB       PRO   6  -6.453   2.571  -6.871
   44   2HB   PRO   6          2HB       PRO   6  -6.362   4.311  -6.581
   45   1HG   PRO   6          1HG       PRO   6  -4.625   2.120  -5.520
   46   2HG   PRO   6          2HG       PRO   6  -4.164   3.722  -6.122
   47   1HD   PRO   6          1HD       PRO   6  -4.394   3.099  -3.466
   48   2HD   PRO   6          2HD       PRO   6  -4.609   4.736  -4.120
   49    H    GLU   7           H        GLU   7  -6.269   1.405  -3.384
   50    HA   GLU   7           HA       GLU   7  -7.893  -0.765  -4.497
   51   1HB   GLU   7          1HB       GLU   7  -5.314  -0.853  -4.238
   52   2HB   GLU   7          2HB       GLU   7  -5.647  -1.126  -2.533
   53   1HG   GLU   7          1HG       GLU   7  -6.739  -3.163  -2.965
   54   2HG   GLU   7          2HG       GLU   7  -6.852  -2.826  -4.692
   55    H    CYS   8           H        CYS   8  -6.933   0.640  -1.357
   56    HA   CYS   8           HA       CYS   8  -9.265  -0.695  -0.142
   57   1HB   CYS   8          1HB       CYS   8  -8.113  -0.682   1.960
   58   2HB   CYS   8          2HB       CYS   8  -7.028  -1.350   0.753
   59    HG   CYS   8           HG       CYS   8  -5.412   0.378   1.340
   60    HA   PRO   9           HA       PRO   9 -10.834   3.267   1.009
   61   1HB   PRO   9          1HB       PRO   9 -12.267   2.702   3.190
   62   2HB   PRO   9          2HB       PRO   9 -12.643   1.965   1.629
   63   1HG   PRO   9          1HG       PRO   9 -11.293   0.788   4.003
   64   2HG   PRO   9          2HG       PRO   9 -12.357   0.017   2.817
   65   1HD   PRO   9          1HD       PRO   9  -9.532  -0.054   2.855
   66   2HD   PRO   9          2HD       PRO   9 -10.585  -0.605   1.543
   67    H    LYS  10           H        LYS  10  -8.078   3.126   1.932
   68    HA   LYS  10           HA       LYS  10  -8.154   4.173   4.649
   69   1HB   LYS  10          1HB       LYS  10  -5.829   3.623   2.797
   70   2HB   LYS  10          2HB       LYS  10  -5.661   4.340   4.371
   71   1HG   LYS  10          1HG       LYS  10  -5.541   1.660   3.782
   72   2HG   LYS  10          2HG       LYS  10  -5.701   2.375   5.384
   73   1HD   LYS  10          1HD       LYS  10  -8.180   2.273   5.107
   74   2HD   LYS  10          2HD       LYS  10  -7.926   1.401   3.593
   75   1HE   LYS  10          1HE       LYS  10  -6.648  -0.312   4.884
   76   2HE   LYS  10          2HE       LYS  10  -7.119   0.524   6.363
   77   1HZ   LYS  10          1HZ       LYS  10  -8.789  -1.012   4.489
   78   2HZ   LYS  10          2HZ       LYS  10  -9.494   0.211   5.420
   79   3HZ   LYS  10          3HZ       LYS  10  -8.725  -1.090   6.178
   80    H    ARG  11           H        ARG  11  -7.037   6.198   5.154
   81    HA   ARG  11           HA       ARG  11  -6.842   8.165   3.027
   82   1HB   ARG  11          1HB       ARG  11  -8.309   9.558   4.944
   83   2HB   ARG  11          2HB       ARG  11  -8.865   9.041   3.363
   84   1HG   ARG  11          1HG       ARG  11 -10.494   8.306   4.876
   85   2HG   ARG  11          2HG       ARG  11  -9.560   6.869   4.464
   86   1HD   ARG  11          1HD       ARG  11  -8.645   6.700   6.545
   87   2HD   ARG  11          2HD       ARG  11  -8.684   8.441   6.823
   88    HE   ARG  11           HE       ARG  11 -11.308   7.716   6.809
   89   1HH1  ARG  11          1HH1      ARG  11  -8.505   6.646   8.617
   90   2HH1  ARG  11          2HH1      ARG  11  -9.424   6.211  10.017
   91   1HH2  ARG  11          1HH2      ARG  11 -12.510   7.142   8.661
   92   2HH2  ARG  11          2HH2      ARG  11 -11.695   6.491  10.043
   93    H    PHE  12           H        PHE  12  -5.208   9.543   3.398
   94    HA   PHE  12           HA       PHE  12  -4.318   9.977   6.165
   95   1HB   PHE  12          1HB       PHE  12  -2.359   9.501   3.956
   96   2HB   PHE  12          2HB       PHE  12  -2.045   9.531   5.675
   97    HD1  PHE  12           HD1      PHE  12  -4.265   7.650   3.332
   98    HD2  PHE  12           HD2      PHE  12  -1.549   7.487   6.601
   99    HE1  PHE  12           HE1      PHE  12  -4.475   5.215   3.372
  100    HE2  PHE  12           HE2      PHE  12  -1.760   5.033   6.650
  101    HZ   PHE  12           HZ       PHE  12  -3.223   3.895   5.019
  102    H    MET  13           H        MET  13  -3.043  11.873   6.496
  103    HA   MET  13           HA       MET  13  -3.761  14.024   4.674
  104   1HB   MET  13          1HB       MET  13  -2.963  15.529   6.419
  105   2HB   MET  13          2HB       MET  13  -4.084  14.352   7.087
  106   1HG   MET  13          1HG       MET  13  -1.966  13.025   7.714
  107   2HG   MET  13          2HG       MET  13  -1.122  14.548   7.443
  108   1HE   MET  13          1HE       MET  13  -2.502  12.407  10.176
  109   2HE   MET  13          2HE       MET  13  -3.998  12.776   9.319
  110   3HE   MET  13          3HE       MET  13  -3.751  13.374  10.960
  111    H    ARG  14           H        ARG  14  -1.069  12.001   5.298
  112    HA   ARG  14           HA       ARG  14   0.823  13.880   4.078
  113   1HB   ARG  14          1HB       ARG  14   1.454  11.150   5.206
  114   2HB   ARG  14          2HB       ARG  14   2.575  12.458   4.860
  115   1HG   ARG  14          1HG       ARG  14   2.436  12.733   7.096
  116   2HG   ARG  14          2HG       ARG  14   1.034  13.705   6.643
  117   1HD   ARG  14          1HD       ARG  14  -0.247  12.385   7.887
  118   2HD   ARG  14          2HD       ARG  14   0.147  11.037   6.818
  119    HE   ARG  14           HE       ARG  14   2.088  11.592   8.893
  120   1HH1  ARG  14          1HH1      ARG  14  -0.736   9.736   7.964
  121   2HH1  ARG  14          2HH1      ARG  14  -0.452   8.493   9.134
  122   1HH2  ARG  14          1HH2      ARG  14   2.455   9.950  10.428
  123   2HH2  ARG  14          2HH2      ARG  14   1.358   8.613  10.533
  124    H    SER  15           H        SER  15   2.229  13.116   2.352
  125    HA   SER  15           HA       SER  15   0.758  11.419   0.487
  126   1HB   SER  15          1HB       SER  15   1.286  13.137  -0.813
  127   2HB   SER  15          2HB       SER  15   2.602  13.675   0.228
  128    HG   SER  15           HG       SER  15   3.976  12.610  -0.977
  129    H    ASP  16           H        ASP  16   4.106  11.775   1.684
  130    HA   ASP  16           HA       ASP  16   5.006   9.360   0.487
  131   1HB   ASP  16          1HB       ASP  16   7.068   9.705   1.688
  132   2HB   ASP  16          2HB       ASP  16   6.506  11.254   1.079
  133    H    HIS  17           H        HIS  17   3.903  10.163   3.768
  134    HA   HIS  17           HA       HIS  17   4.479   7.617   4.888
  135   1HB   HIS  17          1HB       HIS  17   2.629   9.846   5.726
  136   2HB   HIS  17          2HB       HIS  17   2.771   8.350   6.639
  137    HD1  HIS  17           HD1      HIS  17   3.597  10.146   8.518
  138    HD2  HIS  17           HD2      HIS  17   6.179   9.405   5.353
  139    HE1  HIS  17           HE1      HIS  17   5.837  10.978   9.275
  140    HE2  HIS  17           HE2      HIS  17   7.375  10.585   7.319
  141    H    LEU  18           H        LEU  18   1.600   8.999   3.349
  142    HA   LEU  18           HA       LEU  18  -0.171   6.885   3.873
  143   1HB   LEU  18          1HB       LEU  18  -0.858   9.073   3.030
  144   2HB   LEU  18          2HB       LEU  18  -0.048   8.765   1.517
  145    HG   LEU  18           HG       LEU  18  -2.258   6.982   2.470
  146   1HD1  LEU  18          1HD1      LEU  18  -3.686   8.432   0.917
  147   2HD1  LEU  18          2HD1      LEU  18  -2.439   9.660   1.155
  148   3HD1  LEU  18          3HD1      LEU  18  -3.342   9.042   2.534
  149   1HD2  LEU  18          1HD2      LEU  18  -0.632   7.254   0.085
  150   2HD2  LEU  18          2HD2      LEU  18  -2.361   7.266  -0.265
  151   3HD2  LEU  18          3HD2      LEU  18  -1.649   5.916   0.623
  152    H    THR  19           H        THR  19   2.025   7.507   1.151
  153    HA   THR  19           HA       THR  19   1.321   5.256  -0.345
  154    HB   THR  19           HB       THR  19   3.985   6.695  -0.260
  155    HG1  THR  19           HG1      THR  19   2.747   8.220  -1.029
  156   1HG2  THR  19          1HG2      THR  19   2.821   4.830  -2.307
  157   2HG2  THR  19          2HG2      THR  19   4.350   4.679  -1.439
  158   3HG2  THR  19          3HG2      THR  19   4.142   5.948  -2.647
  159    H    LEU  20           H        LEU  20   3.494   5.686   2.379
  160    HA   LEU  20           HA       LEU  20   4.963   3.305   2.217
  161   1HB   LEU  20          1HB       LEU  20   5.322   5.239   3.810
  162   2HB   LEU  20          2HB       LEU  20   4.000   4.605   4.768
  163    HG   LEU  20           HG       LEU  20   6.155   2.680   4.154
  164   1HD1  LEU  20          1HD1      LEU  20   7.643   3.559   5.871
  165   2HD1  LEU  20          2HD1      LEU  20   6.606   4.973   6.058
  166   3HD1  LEU  20          3HD1      LEU  20   7.464   4.704   4.541
  167   1HD2  LEU  20          1HD2      LEU  20   4.423   1.936   5.570
  168   2HD2  LEU  20          2HD2      LEU  20   4.475   3.410   6.537
  169   3HD2  LEU  20          3HD2      LEU  20   5.800   2.250   6.627
  170    H    HIS  21           H        HIS  21   1.732   3.994   3.409
  171    HA   HIS  21           HA       HIS  21   1.184   1.544   4.661
  172   1HB   HIS  21          1HB       HIS  21  -0.758   2.586   5.098
  173   2HB   HIS  21          2HB       HIS  21  -0.168   3.962   4.211
  174    HD1  HIS  21           HD1      HIS  21  -1.973   4.765   2.693
  175    HD2  HIS  21           HD2      HIS  21  -1.855   0.633   2.898
  176    HE1  HIS  21           HE1      HIS  21  -3.840   3.915   1.217
  177    H    ILE  22           H        ILE  22   0.487   2.717   1.413
  178    HA   ILE  22           HA       ILE  22  -0.823   0.464   0.438
  179    HB   ILE  22           HB       ILE  22   0.831   2.297  -1.290
  180   1HG1  ILE  22          1HG1      ILE  22  -2.034   2.872  -0.752
  181   2HG1  ILE  22          2HG1      ILE  22  -0.899   3.297   0.509
  182   1HG2  ILE  22          1HG2      ILE  22  -0.530   0.133  -2.051
  183   2HG2  ILE  22          2HG2      ILE  22  -0.433   1.586  -3.045
  184   3HG2  ILE  22          3HG2      ILE  22  -1.855   1.296  -2.041
  185   1HD1  ILE  22          1HD1      ILE  22  -0.516   5.173  -0.561
  186   2HD1  ILE  22          2HD1      ILE  22  -1.518   4.656  -1.913
  187   3HD1  ILE  22          3HD1      ILE  22   0.197   4.246  -1.878
  188    H    LEU  23           H        LEU  23   2.536   0.838   1.081
  189    HA   LEU  23           HA       LEU  23   3.662  -0.865  -0.828
  190   1HB   LEU  23          1HB       LEU  23   4.498   0.401   1.573
  191   2HB   LEU  23          2HB       LEU  23   4.948  -1.289   1.680
  192    HG   LEU  23           HG       LEU  23   5.623   0.186  -0.820
  193   1HD1  LEU  23          1HD1      LEU  23   6.302   1.728   0.947
  194   2HD1  LEU  23          2HD1      LEU  23   7.701   1.000   0.158
  195   3HD1  LEU  23          3HD1      LEU  23   7.189   0.429   1.746
  196   1HD2  LEU  23          1HD2      LEU  23   6.053  -2.211  -0.641
  197   2HD2  LEU  23          2HD2      LEU  23   7.030  -1.936   0.801
  198   3HD2  LEU  23          3HD2      LEU  23   7.560  -1.302  -0.757
  199    H    LEU  24           H        LEU  24   1.798  -1.572   2.069
  200    HA   LEU  24           HA       LEU  24   2.490  -4.304   2.290
  201   1HB   LEU  24          1HB       LEU  24   0.976  -4.417   3.990
  202   2HB   LEU  24          2HB       LEU  24   1.302  -2.701   3.960
  203    HG   LEU  24           HG       LEU  24  -0.985  -2.777   4.237
  204   1HD1  LEU  24          1HD1      LEU  24  -1.566  -2.755   1.431
  205   2HD1  LEU  24          2HD1      LEU  24  -0.082  -1.870   1.765
  206   3HD1  LEU  24          3HD1      LEU  24  -1.573  -1.430   2.592
  207   1HD2  LEU  24          1HD2      LEU  24  -0.859  -5.353   3.513
  208   2HD2  LEU  24          2HD2      LEU  24  -1.657  -4.681   2.091
  209   3HD2  LEU  24          3HD2      LEU  24  -2.372  -4.464   3.687
  210    H    HIS  25           H        HIS  25   0.438  -2.674   0.051
  211    HA   HIS  25           HA       HIS  25  -1.257  -4.905  -0.556
  212   1HB   HIS  25          1HB       HIS  25  -0.690  -2.324  -2.028
  213   2HB   HIS  25          2HB       HIS  25  -1.837  -3.531  -2.597
  214    HD1  HIS  25           HD1      HIS  25  -3.588  -4.175  -0.334
  215    HD2  HIS  25           HD2      HIS  25  -2.021  -0.358  -0.815
  216    HE1  HIS  25           HE1      HIS  25  -5.087  -2.619   0.982
  217    H    GLU  26           H        GLU  26   1.674  -3.497  -1.969
  218    HA   GLU  26           HA       GLU  26   1.826  -5.276  -4.179
  219   1HB   GLU  26          1HB       GLU  26   3.684  -3.340  -2.869
  220   2HB   GLU  26          2HB       GLU  26   4.365  -4.531  -3.968
  221   1HG   GLU  26          1HG       GLU  26   2.872  -3.749  -5.738
  222   2HG   GLU  26          2HG       GLU  26   2.198  -2.551  -4.635
  223    H    ASN  27           H        ASN  27   3.176  -5.312  -0.910
  224    HA   ASN  27           HA       ASN  27   4.871  -7.540  -1.216
  225   1HB   ASN  27          1HB       ASN  27   3.474  -6.491   1.255
  226   2HB   ASN  27          2HB       ASN  27   4.757  -7.695   1.268
  227   1HD2  ASN  27          1HD2      ASN  27   4.537  -4.921   2.370
  228   2HD2  ASN  27          2HD2      ASN  27   5.934  -4.102   1.771
  229    H    LYS  28           H        LYS  28   1.482  -7.288  -0.172
  230    HA   LYS  28           HA       LYS  28   1.207 -10.114   0.250
  231   1HB   LYS  28          1HB       LYS  28  -0.131  -8.277   1.406
  232   2HB   LYS  28          2HB       LYS  28  -1.043  -8.134  -0.090
  233   1HG   LYS  28          1HG       LYS  28  -1.774 -10.435   0.100
  234   2HG   LYS  28          2HG       LYS  28  -0.795 -10.646   1.553
  235   1HD   LYS  28          1HD       LYS  28  -2.180  -8.628   2.446
  236   2HD   LYS  28          2HD       LYS  28  -3.313  -9.076   1.169
  237   1HE   LYS  28          1HE       LYS  28  -3.175 -11.443   2.130
  238   2HE   LYS  28          2HE       LYS  28  -2.412 -10.698   3.533
  239   1HZ   LYS  28          1HZ       LYS  28  -5.119 -10.086   2.475
  240   2HZ   LYS  28          2HZ       LYS  28  -4.387  -9.287   3.774
  241   3HZ   LYS  28          3HZ       LYS  28  -4.765 -10.931   3.897
  242    H    LYS  29           H        LYS  29   0.792 -11.628  -1.219
  243    HA   LYS  29           HA       LYS  29   0.182 -10.819  -3.956
  244   1HB   LYS  29          1HB       LYS  29   2.042 -12.428  -3.432
  245   2HB   LYS  29          2HB       LYS  29   0.822 -13.585  -2.920
  246   1HG   LYS  29          1HG       LYS  29   0.383 -12.467  -5.591
  247   2HG   LYS  29          2HG       LYS  29   1.859 -13.418  -5.422
  248   1HD   LYS  29          1HD       LYS  29   0.606 -15.307  -4.607
  249   2HD   LYS  29          2HD       LYS  29  -0.882 -14.359  -4.584
  250   1HE   LYS  29          1HE       LYS  29  -1.263 -15.158  -6.631
  251   2HE   LYS  29          2HE       LYS  29   0.016 -14.074  -7.176
  252   1HZ   LYS  29          1HZ       LYS  29   1.612 -15.867  -6.868
  253   2HZ   LYS  29          2HZ       LYS  29   0.391 -16.329  -7.942
  254   3HZ   LYS  29          3HZ       LYS  29   0.379 -16.906  -6.352
  Start of MODEL   20
    1    H    TYR   1           H        TYR   1  -9.344  13.930   5.853
    2    HA   TYR   1           HA       TYR   1  -6.492  13.549   5.269
    3   1HB   TYR   1          1HB       TYR   1  -8.943  11.817   4.863
    4   2HB   TYR   1          2HB       TYR   1  -7.280  11.351   4.522
    5    HD1  TYR   1           HD1      TYR   1  -9.873  11.333   6.938
    6    HD2  TYR   1           HD2      TYR   1  -5.639  11.399   6.537
    7    HE1  TYR   1           HE1      TYR   1  -9.650  10.487   9.235
    8    HE2  TYR   1           HE2      TYR   1  -5.403  10.551   8.832
    9    HH   TYR   1           HH       TYR   1  -7.389  10.729  11.075
   10    H    LYS   2           H        LYS   2  -5.761  14.044   3.305
   11    HA   LYS   2           HA       LYS   2  -7.653  15.052   1.320
   12   1HB   LYS   2          1HB       LYS   2  -4.724  15.387   1.797
   13   2HB   LYS   2          2HB       LYS   2  -5.347  15.630   0.171
   14   1HG   LYS   2          1HG       LYS   2  -7.065  17.059   1.858
   15   2HG   LYS   2          2HG       LYS   2  -5.431  17.384   2.441
   16   1HD   LYS   2          1HD       LYS   2  -5.387  17.492  -0.399
   17   2HD   LYS   2          2HD       LYS   2  -6.753  18.458   0.162
   18   1HE   LYS   2          1HE       LYS   2  -5.328  19.779   1.560
   19   2HE   LYS   2          2HE       LYS   2  -3.955  18.717   1.250
   20   1HZ   LYS   2          1HZ       LYS   2  -5.318  20.405  -0.782
   21   2HZ   LYS   2          2HZ       LYS   2  -3.981  19.405  -1.062
   22   3HZ   LYS   2          3HZ       LYS   2  -3.831  20.753  -0.052
   23    H    PHE   3           H        PHE   3  -5.048  12.639   1.596
   24    HA   PHE   3           HA       PHE   3  -5.562  11.680  -1.089
   25   1HB   PHE   3          1HB       PHE   3  -3.526  11.065   1.028
   26   2HB   PHE   3          2HB       PHE   3  -3.735  10.008  -0.349
   27    HD1  PHE   3           HD1      PHE   3  -2.887  13.457   0.648
   28    HD2  PHE   3           HD2      PHE   3  -2.816  10.542  -2.453
   29    HE1  PHE   3           HE1      PHE   3  -1.411  14.910  -0.679
   30    HE2  PHE   3           HE2      PHE   3  -1.340  11.991  -3.785
   31    HZ   PHE   3           HZ       PHE   3  -0.635  14.177  -2.898
   32    H    ALA   4           H        ALA   4  -5.765   9.333  -1.467
   33    HA   ALA   4           HA       ALA   4  -6.954   7.723   0.626
   34   1HB   ALA   4          1HB       ALA   4  -9.035   7.299  -0.604
   35   2HB   ALA   4          2HB       ALA   4  -8.565   8.500  -1.807
   36   3HB   ALA   4          3HB       ALA   4  -8.885   8.995  -0.145
   37    H    CYS   5           H        CYS   5  -6.957   5.497   0.133
   38    HA   CYS   5           HA       CYS   5  -5.065   4.739  -1.899
   39   1HB   CYS   5          1HB       CYS   5  -5.329   3.684   0.436
   40   2HB   CYS   5          2HB       CYS   5  -6.681   2.806  -0.258
   41    HG   CYS   5           HG       CYS   5  -3.803   2.487  -1.391
   42    HA   PRO   6           HA       PRO   6  -8.072   3.764  -5.024
   43   1HB   PRO   6          1HB       PRO   6  -6.452   2.527  -6.775
   44   2HB   PRO   6          2HB       PRO   6  -6.350   4.268  -6.483
   45   1HG   PRO   6          1HG       PRO   6  -4.633   2.063  -5.409
   46   2HG   PRO   6          2HG       PRO   6  -4.155   3.655  -6.026
   47   1HD   PRO   6          1HD       PRO   6  -4.397   3.060  -3.365
   48   2HD   PRO   6          2HD       PRO   6  -4.594   4.693  -4.033
   49    H    GLU   7           H        GLU   7  -6.224   1.386  -3.285
   50    HA   GLU   7           HA       GLU   7  -7.803  -0.828  -4.369
   51   1HB   GLU   7          1HB       GLU   7  -5.172  -0.557  -3.068
   52   2HB   GLU   7          2HB       GLU   7  -6.102  -1.961  -2.565
   53   1HG   GLU   7          1HG       GLU   7  -6.233  -2.764  -4.809
   54   2HG   GLU   7          2HG       GLU   7  -5.518  -1.278  -5.434
   55    H    CYS   8           H        CYS   8  -6.876   0.590  -1.223
   56    HA   CYS   8           HA       CYS   8  -9.214  -0.742  -0.018
   57   1HB   CYS   8          1HB       CYS   8  -8.065  -0.691   2.086
   58   2HB   CYS   8          2HB       CYS   8  -6.968  -1.351   0.886
   59    HG   CYS   8           HG       CYS   8  -5.396   0.467   1.337
   60    HA   PRO   9           HA       PRO   9 -10.847   3.207   1.087
   61   1HB   PRO   9          1HB       PRO   9 -12.215   2.673   3.322
   62   2HB   PRO   9          2HB       PRO   9 -12.629   1.916   1.781
   63   1HG   PRO   9          1HG       PRO   9 -11.225   0.771   4.136
   64   2HG   PRO   9          2HG       PRO   9 -12.300  -0.020   2.972
   65   1HD   PRO   9          1HD       PRO   9  -9.475  -0.065   2.976
   66   2HD   PRO   9          2HD       PRO   9 -10.539  -0.645   1.685
   67    H    LYS  10           H        LYS  10  -8.050   2.964   2.046
   68    HA   LYS  10           HA       LYS  10  -8.086   4.158   4.688
   69   1HB   LYS  10          1HB       LYS  10  -5.756   3.600   2.838
   70   2HB   LYS  10          2HB       LYS  10  -5.624   4.198   4.466
   71   1HG   LYS  10          1HG       LYS  10  -7.048   1.632   3.945
   72   2HG   LYS  10          2HG       LYS  10  -5.286   1.683   4.015
   73   1HD   LYS  10          1HD       LYS  10  -5.701   1.277   6.213
   74   2HD   LYS  10          2HD       LYS  10  -5.813   3.037   6.248
   75   1HE   LYS  10          1HE       LYS  10  -8.080   3.026   6.504
   76   2HE   LYS  10          2HE       LYS  10  -8.282   1.517   5.617
   77   1HZ   LYS  10          1HZ       LYS  10  -7.437   0.312   7.524
   78   2HZ   LYS  10          2HZ       LYS  10  -8.766   1.256   7.975
   79   3HZ   LYS  10          3HZ       LYS  10  -7.201   1.756   8.374
   80    H    ARG  11           H        ARG  11  -7.026   6.190   5.129
   81    HA   ARG  11           HA       ARG  11  -6.807   8.091   2.934
   82   1HB   ARG  11          1HB       ARG  11  -8.291   9.722   4.170
   83   2HB   ARG  11          2HB       ARG  11  -9.119   8.369   3.417
   84   1HG   ARG  11          1HG       ARG  11  -8.920   7.257   5.744
   85   2HG   ARG  11          2HG       ARG  11  -8.619   8.898   6.316
   86   1HD   ARG  11          1HD       ARG  11 -10.792   9.350   6.257
   87   2HD   ARG  11          2HD       ARG  11 -10.860   8.928   4.547
   88    HE   ARG  11           HE       ARG  11 -10.867   6.566   6.067
   89   1HH1  ARG  11          1HH1      ARG  11 -12.940   9.303   5.373
   90   2HH1  ARG  11          2HH1      ARG  11 -14.403   8.414   5.626
   91   1HH2  ARG  11          1HH2      ARG  11 -12.798   5.402   6.403
   92   2HH2  ARG  11          2HH2      ARG  11 -14.325   6.199   6.211
   93    H    PHE  12           H        PHE  12  -5.183   9.506   3.280
   94    HA   PHE  12           HA       PHE  12  -4.269   9.939   6.039
   95   1HB   PHE  12          1HB       PHE  12  -2.365   9.439   3.783
   96   2HB   PHE  12          2HB       PHE  12  -1.987   9.534   5.488
   97    HD1  PHE  12           HD1      PHE  12  -4.294   7.554   3.311
   98    HD2  PHE  12           HD2      PHE  12  -1.429   7.525   6.456
   99    HE1  PHE  12           HE1      PHE  12  -4.483   5.122   3.447
  100    HE2  PHE  12           HE2      PHE  12  -1.621   5.074   6.600
  101    HZ   PHE  12           HZ       PHE  12  -3.150   3.869   5.079
  102    H    MET  13           H        MET  13  -3.150  11.871   6.426
  103    HA   MET  13           HA       MET  13  -3.885  14.037   4.665
  104   1HB   MET  13          1HB       MET  13  -2.477  13.921   7.330
  105   2HB   MET  13          2HB       MET  13  -2.685  15.423   6.441
  106   1HG   MET  13          1HG       MET  13  -5.045  13.701   7.061
  107   2HG   MET  13          2HG       MET  13  -4.377  14.778   8.284
  108   1HE   MET  13          1HE       MET  13  -7.293  15.849   7.933
  109   2HE   MET  13          2HE       MET  13  -6.717  17.509   7.770
  110   3HE   MET  13          3HE       MET  13  -5.855  16.373   8.808
  111    H    ARG  14           H        ARG  14  -1.078  12.098   5.265
  112    HA   ARG  14           HA       ARG  14   0.670  13.972   3.842
  113   1HB   ARG  14          1HB       ARG  14   1.307  11.419   5.334
  114   2HB   ARG  14          2HB       ARG  14   2.496  12.451   4.554
  115   1HG   ARG  14          1HG       ARG  14   2.435  13.999   6.199
  116   2HG   ARG  14          2HG       ARG  14   0.716  13.756   6.516
  117   1HD   ARG  14          1HD       ARG  14   1.333  12.633   8.339
  118   2HD   ARG  14          2HD       ARG  14   1.872  11.353   7.251
  119    HE   ARG  14           HE       ARG  14   4.090  12.165   7.440
  120   1HH1  ARG  14          1HH1      ARG  14   1.852  13.844   9.558
  121   2HH1  ARG  14          2HH1      ARG  14   3.100  14.439  10.596
  122   1HH2  ARG  14          1HH2      ARG  14   5.719  12.957   8.816
  123   2HH2  ARG  14          2HH2      ARG  14   5.292  13.939  10.177
  124    H    SER  15           H        SER  15   2.074  13.138   2.142
  125    HA   SER  15           HA       SER  15   0.630  11.266   0.428
  126   1HB   SER  15          1HB       SER  15   1.093  12.876  -1.023
  127   2HB   SER  15          2HB       SER  15   2.362  13.572  -0.019
  128    HG   SER  15           HG       SER  15   2.523  11.695  -2.066
  129    H    ASP  16           H        ASP  16   3.902  11.782   1.732
  130    HA   ASP  16           HA       ASP  16   5.004   9.413   0.626
  131   1HB   ASP  16          1HB       ASP  16   6.113  11.590   1.719
  132   2HB   ASP  16          2HB       ASP  16   6.170  10.521   3.115
  133    H    HIS  17           H        HIS  17   3.835  10.187   3.911
  134    HA   HIS  17           HA       HIS  17   4.337   7.659   5.033
  135   1HB   HIS  17          1HB       HIS  17   2.584   9.964   5.745
  136   2HB   HIS  17          2HB       HIS  17   2.283   8.424   6.535
  137    HD1  HIS  17           HD1      HIS  17   3.000   9.673   8.755
  138    HD2  HIS  17           HD2      HIS  17   6.010   9.177   5.935
  139    HE1  HIS  17           HE1      HIS  17   5.145  10.119   9.975
  140    HE2  HIS  17           HE2      HIS  17   6.961   9.726   8.276
  141    H    LEU  18           H        LEU  18   1.493   8.956   3.362
  142    HA   LEU  18           HA       LEU  18  -0.246   6.799   3.767
  143   1HB   LEU  18          1HB       LEU  18  -0.848   9.020   2.837
  144   2HB   LEU  18          2HB       LEU  18  -0.055   8.584   1.345
  145    HG   LEU  18           HG       LEU  18  -2.271   6.884   2.411
  146   1HD1  LEU  18          1HD1      LEU  18  -2.453   9.580   1.192
  147   2HD1  LEU  18          2HD1      LEU  18  -3.472   8.824   2.413
  148   3HD1  LEU  18          3HD1      LEU  18  -3.639   8.363   0.720
  149   1HD2  LEU  18          1HD2      LEU  18  -2.439   7.102  -0.326
  150   2HD2  LEU  18          2HD2      LEU  18  -1.712   5.768   0.577
  151   3HD2  LEU  18          3HD2      LEU  18  -0.703   7.090  -0.017
  152    H    THR  19           H        THR  19   2.053   7.463   1.133
  153    HA   THR  19           HA       THR  19   1.492   5.170  -0.361
  154    HB   THR  19           HB       THR  19   4.090   6.718  -0.177
  155    HG1  THR  19           HG1      THR  19   2.822   8.164  -1.043
  156   1HG2  THR  19          1HG2      THR  19   4.612   4.699  -1.288
  157   2HG2  THR  19          2HG2      THR  19   4.404   5.929  -2.535
  158   3HG2  THR  19          3HG2      THR  19   3.123   4.754  -2.232
  159    H    LEU  20           H        LEU  20   3.540   5.701   2.442
  160    HA   LEU  20           HA       LEU  20   5.083   3.362   2.360
  161   1HB   LEU  20          1HB       LEU  20   5.308   5.352   3.934
  162   2HB   LEU  20          2HB       LEU  20   4.015   4.640   4.876
  163    HG   LEU  20           HG       LEU  20   6.230   2.796   4.320
  164   1HD1  LEU  20          1HD1      LEU  20   7.761   3.801   5.924
  165   2HD1  LEU  20          2HD1      LEU  20   6.698   5.200   6.078
  166   3HD1  LEU  20          3HD1      LEU  20   7.504   4.869   4.544
  167   1HD2  LEU  20          1HD2      LEU  20   4.391   2.276   5.840
  168   2HD2  LEU  20          2HD2      LEU  20   4.824   3.660   6.846
  169   3HD2  LEU  20          3HD2      LEU  20   5.935   2.299   6.691
  170    H    HIS  21           H        HIS  21   1.796   3.977   3.444
  171    HA   HIS  21           HA       HIS  21   1.286   1.513   4.707
  172   1HB   HIS  21          1HB       HIS  21  -0.669   2.542   5.131
  173   2HB   HIS  21          2HB       HIS  21  -0.118   3.908   4.203
  174    HD1  HIS  21           HD1      HIS  21  -2.022   4.616   2.748
  175    HD2  HIS  21           HD2      HIS  21  -1.630   0.501   2.883
  176    HE1  HIS  21           HE1      HIS  21  -3.839   3.666   1.272
  177    H    ILE  22           H        ILE  22   0.587   2.666   1.453
  178    HA   ILE  22           HA       ILE  22  -0.689   0.414   0.492
  179    HB   ILE  22           HB       ILE  22   1.007   2.193  -1.249
  180   1HG1  ILE  22          1HG1      ILE  22  -1.864   2.784  -0.771
  181   2HG1  ILE  22          2HG1      ILE  22  -0.758   3.220   0.511
  182   1HG2  ILE  22          1HG2      ILE  22  -1.672   1.231  -2.040
  183   2HG2  ILE  22          2HG2      ILE  22  -0.403   0.010  -1.950
  184   3HG2  ILE  22          3HG2      ILE  22  -0.204   1.411  -3.002
  185   1HD1  ILE  22          1HD1      ILE  22  -0.388   5.094  -0.571
  186   2HD1  ILE  22          2HD1      ILE  22  -1.296   4.530  -1.972
  187   3HD1  ILE  22          3HD1      ILE  22   0.421   4.156  -1.824
  188    H    LEU  23           H        LEU  23   2.585   0.581   1.373
  189    HA   LEU  23           HA       LEU  23   3.829  -1.079  -0.488
  190   1HB   LEU  23          1HB       LEU  23   4.293  -0.319   2.317
  191   2HB   LEU  23          2HB       LEU  23   4.948  -1.884   1.879
  192    HG   LEU  23           HG       LEU  23   5.991  -0.589  -0.137
  193   1HD1  LEU  23          1HD1      LEU  23   5.811   1.671   1.832
  194   2HD1  LEU  23          2HD1      LEU  23   4.684   1.495   0.486
  195   3HD1  LEU  23          3HD1      LEU  23   6.408   1.702   0.173
  196   1HD2  LEU  23          1HD2      LEU  23   7.016  -0.287   2.683
  197   2HD2  LEU  23          2HD2      LEU  23   7.976  -0.113   1.213
  198   3HD2  LEU  23          3HD2      LEU  23   7.270  -1.675   1.625
  199    H    LEU  24           H        LEU  24   1.635  -1.818   2.185
  200    HA   LEU  24           HA       LEU  24   1.987  -4.592   2.327
  201   1HB   LEU  24          1HB       LEU  24  -0.461  -4.627   3.054
  202   2HB   LEU  24          2HB       LEU  24   0.665  -3.700   4.023
  203    HG   LEU  24           HG       LEU  24  -0.283  -1.801   2.284
  204   1HD1  LEU  24          1HD1      LEU  24  -1.959  -3.469   1.464
  205   2HD1  LEU  24          2HD1      LEU  24  -2.642  -1.978   2.117
  206   3HD1  LEU  24          3HD1      LEU  24  -2.661  -3.457   3.082
  207   1HD2  LEU  24          1HD2      LEU  24   0.053  -1.753   4.776
  208   2HD2  LEU  24          2HD2      LEU  24  -1.550  -2.472   4.926
  209   3HD2  LEU  24          3HD2      LEU  24  -1.362  -0.883   4.184
  210    H    HIS  25           H        HIS  25  -0.081  -2.676   0.175
  211    HA   HIS  25           HA       HIS  25  -1.438  -4.795  -1.066
  212   1HB   HIS  25          1HB       HIS  25  -0.704  -2.057  -2.123
  213   2HB   HIS  25          2HB       HIS  25  -1.786  -3.170  -2.949
  214    HD1  HIS  25           HD1      HIS  25  -3.928  -3.931  -1.274
  215    HD2  HIS  25           HD2      HIS  25  -1.996  -0.326  -0.557
  216    HE1  HIS  25           HE1      HIS  25  -5.516  -2.539   0.119
  217    H    GLU  26           H        GLU  26   1.546  -3.102  -2.030
  218    HA   GLU  26           HA       GLU  26   2.028  -4.579  -4.374
  219   1HB   GLU  26          1HB       GLU  26   3.142  -2.393  -3.451
  220   2HB   GLU  26          2HB       GLU  26   4.277  -3.508  -2.703
  221   1HG   GLU  26          1HG       GLU  26   3.665  -3.447  -5.649
  222   2HG   GLU  26          2HG       GLU  26   5.008  -2.589  -4.896
  223    H    ASN  27           H        ASN  27   3.420  -4.960  -1.108
  224    HA   ASN  27           HA       ASN  27   3.734  -7.824  -1.635
  225   1HB   ASN  27          1HB       ASN  27   5.905  -6.464  -2.026
  226   2HB   ASN  27          2HB       ASN  27   5.942  -6.301  -0.273
  227   1HD2  ASN  27          1HD2      ASN  27   6.289  -8.454  -2.963
  228   2HD2  ASN  27          2HD2      ASN  27   6.923  -9.793  -2.075
  229    H    LYS  28           H        LYS  28   2.651  -8.854  -0.099
  230    HA   LYS  28           HA       LYS  28   2.201  -7.576   2.482
  231   1HB   LYS  28          1HB       LYS  28   0.719  -9.360   0.827
  232   2HB   LYS  28          2HB       LYS  28   1.024 -10.175   2.354
  233   1HG   LYS  28          1HG       LYS  28   0.173  -8.030   3.459
  234   2HG   LYS  28          2HG       LYS  28  -0.448  -7.614   1.861
  235   1HD   LYS  28          1HD       LYS  28  -1.671  -9.777   1.833
  236   2HD   LYS  28          2HD       LYS  28  -1.132 -10.059   3.489
  237   1HE   LYS  28          1HE       LYS  28  -2.221  -7.497   3.524
  238   2HE   LYS  28          2HE       LYS  28  -3.313  -8.432   2.503
  239   1HZ   LYS  28          1HZ       LYS  28  -3.482 -10.076   4.287
  240   2HZ   LYS  28          2HZ       LYS  28  -3.996  -8.548   4.800
  241   3HZ   LYS  28          3HZ       LYS  28  -2.478  -9.130   5.268
  242    H    LYS  29           H        LYS  29   3.965  -7.777   3.753
  243    HA   LYS  29           HA       LYS  29   4.711 -10.475   4.576
  244   1HB   LYS  29          1HB       LYS  29   6.291  -9.107   2.761
  245   2HB   LYS  29          2HB       LYS  29   7.070  -8.773   4.302
  246   1HG   LYS  29          1HG       LYS  29   6.329 -11.569   3.530
  247   2HG   LYS  29          2HG       LYS  29   7.821 -10.825   2.950
  248   1HD   LYS  29          1HD       LYS  29   8.208 -10.255   5.456
  249   2HD   LYS  29          2HD       LYS  29   7.014 -11.522   5.749
  250   1HE   LYS  29          1HE       LYS  29   9.360 -12.020   3.956
  251   2HE   LYS  29          2HE       LYS  29   9.533 -12.133   5.706
  252   1HZ   LYS  29          1HZ       LYS  29   7.612 -13.683   4.049
  253   2HZ   LYS  29          2HZ       LYS  29   7.763 -13.787   5.731
  254   3HZ   LYS  29          3HZ       LYS  29   9.038 -14.283   4.736
  Start of MODEL   21
    1    H    TYR   1           H        TYR   1  -8.554  12.707   6.885
    2    HA   TYR   1           HA       TYR   1  -7.673  11.341   4.950
    3   1HB   TYR   1          1HB       TYR   1  -9.951  10.921   4.276
    4   2HB   TYR   1          2HB       TYR   1  -9.950  11.294   5.995
    5    HD1  TYR   1           HD1      TYR   1 -11.519  11.941   2.925
    6    HD2  TYR   1           HD2      TYR   1 -10.401  13.850   6.560
    7    HE1  TYR   1           HE1      TYR   1 -13.219  13.670   2.532
    8    HE2  TYR   1           HE2      TYR   1 -12.099  15.584   6.177
    9    HH   TYR   1           HH       TYR   1 -13.361  16.372   3.521
   10    H    LYS   2           H        LYS   2  -6.374  13.673   4.248
   11    HA   LYS   2           HA       LYS   2  -7.404  15.108   2.092
   12   1HB   LYS   2          1HB       LYS   2  -4.623  14.468   3.005
   13   2HB   LYS   2          2HB       LYS   2  -4.870  15.309   1.481
   14   1HG   LYS   2          1HG       LYS   2  -6.187  17.024   2.722
   15   2HG   LYS   2          2HG       LYS   2  -5.712  16.221   4.220
   16   1HD   LYS   2          1HD       LYS   2  -3.408  16.691   3.833
   17   2HD   LYS   2          2HD       LYS   2  -3.733  17.238   2.188
   18   1HE   LYS   2          1HE       LYS   2  -5.044  18.609   4.498
   19   2HE   LYS   2          2HE       LYS   2  -3.367  18.976   4.103
   20   1HZ   LYS   2          1HZ       LYS   2  -4.883  20.506   3.018
   21   2HZ   LYS   2          2HZ       LYS   2  -5.674  19.226   2.248
   22   3HZ   LYS   2          3HZ       LYS   2  -4.065  19.577   1.866
   23    H    PHE   3           H        PHE   3  -5.315  12.206   2.018
   24    HA   PHE   3           HA       PHE   3  -5.949  11.889  -0.827
   25   1HB   PHE   3          1HB       PHE   3  -3.670  11.126   0.907
   26   2HB   PHE   3          2HB       PHE   3  -4.099   9.995  -0.362
   27    HD1  PHE   3           HD1      PHE   3  -4.076  10.751  -2.743
   28    HD2  PHE   3           HD2      PHE   3  -2.548  13.141   0.431
   29    HE1  PHE   3           HE1      PHE   3  -2.829  12.110  -4.370
   30    HE2  PHE   3           HE2      PHE   3  -1.299  14.503  -1.192
   31    HZ   PHE   3           HZ       PHE   3  -1.438  13.989  -3.597
   32    H    ALA   4           H        ALA   4  -6.020   9.496  -1.521
   33    HA   ALA   4           HA       ALA   4  -7.282   7.719   0.402
   34   1HB   ALA   4          1HB       ALA   4  -8.736   8.664  -2.067
   35   2HB   ALA   4          2HB       ALA   4  -9.181   8.997  -0.394
   36   3HB   ALA   4          3HB       ALA   4  -9.263   7.350  -1.015
   37    H    CYS   5           H        CYS   5  -6.971   5.579  -0.076
   38    HA   CYS   5           HA       CYS   5  -5.084   4.955  -2.144
   39   1HB   CYS   5          1HB       CYS   5  -5.361   3.855   0.204
   40   2HB   CYS   5          2HB       CYS   5  -6.579   2.867  -0.589
   41    HG   CYS   5           HG       CYS   5  -4.820   1.561  -1.703
   42    HA   PRO   6           HA       PRO   6  -8.041   3.908  -5.293
   43   1HB   PRO   6          1HB       PRO   6  -6.384   2.682  -7.029
   44   2HB   PRO   6          2HB       PRO   6  -6.334   4.429  -6.761
   45   1HG   PRO   6          1HG       PRO   6  -4.562   2.289  -5.648
   46   2HG   PRO   6          2HG       PRO   6  -4.123   3.883  -6.286
   47   1HD   PRO   6          1HD       PRO   6  -4.345   3.335  -3.621
   48   2HD   PRO   6          2HD       PRO   6  -4.622   4.946  -4.317
   49    H    GLU   7           H        GLU   7  -6.163   1.561  -3.547
   50    HA   GLU   7           HA       GLU   7  -7.697  -0.670  -4.645
   51   1HB   GLU   7          1HB       GLU   7  -5.103  -0.373  -3.225
   52   2HB   GLU   7          2HB       GLU   7  -6.000  -1.856  -2.946
   53   1HG   GLU   7          1HG       GLU   7  -4.497  -2.285  -4.714
   54   2HG   GLU   7          2HG       GLU   7  -6.100  -2.151  -5.434
   55    H    CYS   8           H        CYS   8  -6.821   0.764  -1.493
   56    HA   CYS   8           HA       CYS   8  -9.148  -0.609  -0.310
   57   1HB   CYS   8          1HB       CYS   8  -8.010  -0.611   1.793
   58   2HB   CYS   8          2HB       CYS   8  -6.894  -1.227   0.586
   59    HG   CYS   8           HG       CYS   8  -5.398   0.714   0.933
   60    HA   PRO   9           HA       PRO   9 -10.759   3.332   0.882
   61   1HB   PRO   9          1HB       PRO   9 -12.185   2.733   3.057
   62   2HB   PRO   9          2HB       PRO   9 -12.556   2.004   1.491
   63   1HG   PRO   9          1HG       PRO   9 -11.189   0.822   3.853
   64   2HG   PRO   9          2HG       PRO   9 -12.250   0.050   2.665
   65   1HD   PRO   9          1HD       PRO   9  -9.423   0.005   2.694
   66   2HD   PRO   9          2HD       PRO   9 -10.474  -0.547   1.381
   67    H    LYS  10           H        LYS  10  -7.992   3.100   1.839
   68    HA   LYS  10           HA       LYS  10  -8.051   4.137   4.549
   69   1HB   LYS  10          1HB       LYS  10  -5.714   3.673   2.686
   70   2HB   LYS  10          2HB       LYS  10  -5.583   4.197   4.340
   71   1HG   LYS  10          1HG       LYS  10  -6.974   1.644   3.651
   72   2HG   LYS  10          2HG       LYS  10  -5.220   1.721   3.828
   73   1HD   LYS  10          1HD       LYS  10  -5.663   1.275   5.990
   74   2HD   LYS  10          2HD       LYS  10  -6.015   3.002   6.080
   75   1HE   LYS  10          1HE       LYS  10  -7.840   1.883   7.098
   76   2HE   LYS  10          2HE       LYS  10  -8.403   2.432   5.522
   77   1HZ   LYS  10          1HZ       LYS  10  -9.039   0.113   6.126
   78   2HZ   LYS  10          2HZ       LYS  10  -7.406  -0.317   6.027
   79   3HZ   LYS  10          3HZ       LYS  10  -8.215   0.249   4.653
   80    H    ARG  11           H        ARG  11  -6.996   6.143   5.111
   81    HA   ARG  11           HA       ARG  11  -6.795   8.160   3.013
   82   1HB   ARG  11          1HB       ARG  11  -8.285   9.717   4.158
   83   2HB   ARG  11          2HB       ARG  11  -9.146   8.247   3.727
   84   1HG   ARG  11          1HG       ARG  11  -8.467   7.553   6.187
   85   2HG   ARG  11          2HG       ARG  11  -8.406   9.303   6.401
   86   1HD   ARG  11          1HD       ARG  11 -10.742   9.172   5.166
   87   2HD   ARG  11          2HD       ARG  11 -10.724   7.532   5.814
   88    HE   ARG  11           HE       ARG  11 -10.073   9.281   7.889
   89   1HH1  ARG  11          1HH1      ARG  11 -12.817   8.543   5.846
   90   2HH1  ARG  11          2HH1      ARG  11 -13.985   9.023   7.030
   91   1HH2  ARG  11          1HH2      ARG  11 -11.613   9.907   9.448
   92   2HH2  ARG  11          2HH2      ARG  11 -13.301   9.798   9.076
   93    H    PHE  12           H        PHE  12  -5.169   9.570   3.390
   94    HA   PHE  12           HA       PHE  12  -4.147   9.824   6.133
   95   1HB   PHE  12          1HB       PHE  12  -2.336   9.450   3.776
   96   2HB   PHE  12          2HB       PHE  12  -1.883   9.472   5.466
   97    HD1  PHE  12           HD1      PHE  12  -4.256   7.583   3.284
   98    HD2  PHE  12           HD2      PHE  12  -1.302   7.427   6.342
   99    HE1  PHE  12           HE1      PHE  12  -4.441   5.145   3.326
  100    HE2  PHE  12           HE2      PHE  12  -1.488   4.971   6.390
  101    HZ   PHE  12           HZ       PHE  12  -3.059   3.829   4.866
  102    H    MET  13           H        MET  13  -3.129  11.746   6.639
  103    HA   MET  13           HA       MET  13  -3.854  14.001   4.998
  104   1HB   MET  13          1HB       MET  13  -2.424  13.759   7.646
  105   2HB   MET  13          2HB       MET  13  -2.704  15.302   6.851
  106   1HG   MET  13          1HG       MET  13  -5.109  14.928   6.949
  107   2HG   MET  13          2HG       MET  13  -4.839  13.367   7.722
  108   1HE   MET  13          1HE       MET  13  -6.134  15.024  10.884
  109   2HE   MET  13          2HE       MET  13  -6.015  13.540   9.937
  110   3HE   MET  13          3HE       MET  13  -6.810  14.959   9.256
  111    H    ARG  14           H        ARG  14  -1.056  12.027   5.467
  112    HA   ARG  14           HA       ARG  14   0.697  13.982   4.163
  113   1HB   ARG  14          1HB       ARG  14   1.307  11.351   5.529
  114   2HB   ARG  14          2HB       ARG  14   2.511  12.360   4.742
  115   1HG   ARG  14          1HG       ARG  14   2.774  13.031   6.902
  116   2HG   ARG  14          2HG       ARG  14   1.566  14.198   6.364
  117   1HD   ARG  14          1HD       ARG  14   0.354  13.539   8.119
  118   2HD   ARG  14          2HD       ARG  14   0.043  12.061   7.207
  119    HE   ARG  14           HE       ARG  14   1.408  10.923   8.646
  120   1HH1  ARG  14          1HH1      ARG  14   1.955  14.355   9.090
  121   2HH1  ARG  14          2HH1      ARG  14   2.949  14.139  10.489
  122   1HH2  ARG  14          1HH2      ARG  14   2.718  10.647  10.492
  123   2HH2  ARG  14          2HH2      ARG  14   3.383  12.036  11.285
  124    H    SER  15           H        SER  15   2.040  13.289   2.368
  125    HA   SER  15           HA       SER  15   0.571  11.525   0.567
  126   1HB   SER  15          1HB       SER  15   1.286  12.800  -1.101
  127   2HB   SER  15          2HB       SER  15   1.728  13.957   0.150
  128    HG   SER  15           HG       SER  15   3.805  13.438  -0.075
  129    H    ASP  16           H        ASP  16   3.849  11.897   1.893
  130    HA   ASP  16           HA       ASP  16   4.917   9.625   0.582
  131   1HB   ASP  16          1HB       ASP  16   5.911  10.999   3.051
  132   2HB   ASP  16          2HB       ASP  16   6.837   9.929   2.022
  133    H    HIS  17           H        HIS  17   3.777  10.173   3.908
  134    HA   HIS  17           HA       HIS  17   4.279   7.584   4.877
  135   1HB   HIS  17          1HB       HIS  17   2.449   9.805   5.704
  136   2HB   HIS  17          2HB       HIS  17   2.271   8.223   6.448
  137    HD1  HIS  17           HD1      HIS  17   2.972   9.453   8.685
  138    HD2  HIS  17           HD2      HIS  17   5.924   9.219   5.775
  139    HE1  HIS  17           HE1      HIS  17   5.118   9.996   9.862
  140    HE2  HIS  17           HE2      HIS  17   6.880   9.941   8.066
  141    H    LEU  18           H        LEU  18   1.431   8.971   3.278
  142    HA   LEU  18           HA       LEU  18  -0.293   6.788   3.553
  143   1HB   LEU  18          1HB       LEU  18  -0.893   9.063   2.737
  144   2HB   LEU  18          2HB       LEU  18  -0.121   8.686   1.217
  145    HG   LEU  18           HG       LEU  18  -2.322   6.945   2.247
  146   1HD1  LEU  18          1HD1      LEU  18  -2.548   9.649   1.007
  147   2HD1  LEU  18          2HD1      LEU  18  -3.428   8.976   2.376
  148   3HD1  LEU  18          3HD1      LEU  18  -3.792   8.427   0.740
  149   1HD2  LEU  18          1HD2      LEU  18  -2.562   7.214  -0.458
  150   2HD2  LEU  18          2HD2      LEU  18  -1.724   5.901   0.375
  151   3HD2  LEU  18          3HD2      LEU  18  -0.816   7.291  -0.222
  152    H    THR  19           H        THR  19   1.971   7.618   0.926
  153    HA   THR  19           HA       THR  19   1.431   5.369  -0.648
  154    HB   THR  19           HB       THR  19   4.031   6.915  -0.466
  155    HG1  THR  19           HG1      THR  19   2.760   8.444  -1.165
  156   1HG2  THR  19          1HG2      THR  19   4.444   4.964  -1.745
  157   2HG2  THR  19          2HG2      THR  19   4.235   6.299  -2.877
  158   3HG2  THR  19          3HG2      THR  19   2.926   5.145  -2.627
  159    H    LEU  20           H        LEU  20   3.508   5.860   2.133
  160    HA   LEU  20           HA       LEU  20   5.107   3.562   1.977
  161   1HB   LEU  20          1HB       LEU  20   5.066   5.614   3.644
  162   2HB   LEU  20          2HB       LEU  20   4.067   4.548   4.607
  163    HG   LEU  20           HG       LEU  20   6.270   4.328   5.423
  164   1HD1  LEU  20          1HD1      LEU  20   6.718   2.024   5.192
  165   2HD1  LEU  20          2HD1      LEU  20   5.978   1.965   3.592
  166   3HD1  LEU  20          3HD1      LEU  20   4.972   2.206   5.022
  167   1HD2  LEU  20          1HD2      LEU  20   7.429   5.329   3.513
  168   2HD2  LEU  20          2HD2      LEU  20   7.179   3.847   2.589
  169   3HD2  LEU  20          3HD2      LEU  20   8.199   3.828   4.028
  170    H    HIS  21           H        HIS  21   1.885   4.117   3.299
  171    HA   HIS  21           HA       HIS  21   1.375   1.643   4.464
  172   1HB   HIS  21          1HB       HIS  21  -0.574   2.666   4.885
  173   2HB   HIS  21          2HB       HIS  21  -0.072   4.009   3.897
  174    HD1  HIS  21           HD1      HIS  21  -2.063   4.611   2.512
  175    HD2  HIS  21           HD2      HIS  21  -1.475   0.515   2.687
  176    HE1  HIS  21           HE1      HIS  21  -3.879   3.559   1.109
  177    H    ILE  22           H        ILE  22   0.756   2.752   1.178
  178    HA   ILE  22           HA       ILE  22  -0.477   0.414   0.264
  179    HB   ILE  22           HB       ILE  22   1.036   2.278  -1.550
  180   1HG1  ILE  22          1HG1      ILE  22  -1.818   2.797  -0.938
  181   2HG1  ILE  22          2HG1      ILE  22  -0.679   3.243   0.312
  182   1HG2  ILE  22          1HG2      ILE  22  -0.176   1.381  -3.223
  183   2HG2  ILE  22          2HG2      ILE  22  -1.641   1.297  -2.241
  184   3HG2  ILE  22          3HG2      ILE  22  -0.413   0.038  -2.104
  185   1HD1  ILE  22          1HD1      ILE  22  -1.308   4.541  -2.173
  186   2HD1  ILE  22          2HD1      ILE  22   0.424   4.253  -2.006
  187   3HD1  ILE  22          3HD1      ILE  22  -0.448   5.149  -0.761
  188    H    LEU  23           H        LEU  23   2.672   0.600   1.257
  189    HA   LEU  23           HA       LEU  23   3.957  -0.956  -0.753
  190   1HB   LEU  23          1HB       LEU  23   4.845   0.483   1.367
  191   2HB   LEU  23          2HB       LEU  23   4.961  -1.146   1.995
  192    HG   LEU  23           HG       LEU  23   6.306  -1.722  -0.079
  193   1HD1  LEU  23          1HD1      LEU  23   7.386   0.134  -1.234
  194   2HD1  LEU  23          2HD1      LEU  23   6.432   1.284  -0.295
  195   3HD1  LEU  23          3HD1      LEU  23   5.635   0.197  -1.433
  196   1HD2  LEU  23          1HD2      LEU  23   7.491   0.349   1.765
  197   2HD2  LEU  23          2HD2      LEU  23   8.359  -0.898   0.869
  198   3HD2  LEU  23          3HD2      LEU  23   7.267  -1.352   2.177
  199    H    LEU  24           H        LEU  24   2.102  -1.675   2.158
  200    HA   LEU  24           HA       LEU  24   2.775  -4.453   2.219
  201   1HB   LEU  24          1HB       LEU  24   0.535  -4.521   3.612
  202   2HB   LEU  24          2HB       LEU  24   2.043  -3.941   4.283
  203    HG   LEU  24           HG       LEU  24   1.245  -1.603   3.717
  204   1HD1  LEU  24          1HD1      LEU  24  -1.357  -3.083   3.339
  205   2HD1  LEU  24          2HD1      LEU  24  -0.501  -2.134   2.125
  206   3HD1  LEU  24          3HD1      LEU  24  -1.209  -1.335   3.527
  207   1HD2  LEU  24          1HD2      LEU  24   0.360  -1.399   5.805
  208   2HD2  LEU  24          2HD2      LEU  24   1.110  -2.990   5.935
  209   3HD2  LEU  24          3HD2      LEU  24  -0.625  -2.854   5.649
  210    H    HIS  25           H        HIS  25   0.512  -2.606   0.376
  211    HA   HIS  25           HA       HIS  25  -1.511  -4.427  -0.136
  212   1HB   HIS  25          1HB       HIS  25  -0.374  -2.096  -1.544
  213   2HB   HIS  25          2HB       HIS  25  -1.254  -3.227  -2.565
  214    HD1  HIS  25           HD1      HIS  25  -3.724  -3.919  -1.191
  215    HD2  HIS  25           HD2      HIS  25  -2.013  -0.164  -0.715
  216    HE1  HIS  25           HE1      HIS  25  -5.573  -2.391  -0.393
  217    H    GLU  26           H        GLU  26   1.724  -4.252  -1.540
  218    HA   GLU  26           HA       GLU  26   1.427  -6.039  -3.655
  219   1HB   GLU  26          1HB       GLU  26   3.435  -4.778  -3.522
  220   2HB   GLU  26          2HB       GLU  26   3.786  -5.363  -1.904
  221   1HG   GLU  26          1HG       GLU  26   3.626  -7.389  -4.053
  222   2HG   GLU  26          2HG       GLU  26   5.002  -6.288  -4.085
  223    H    ASN  27           H        ASN  27   2.331  -6.695  -0.271
  224    HA   ASN  27           HA       ASN  27   2.507  -9.521  -0.644
  225   1HB   ASN  27          1HB       ASN  27   2.793  -7.625   1.587
  226   2HB   ASN  27          2HB       ASN  27   2.151  -9.196   2.055
  227   1HD2  ASN  27          1HD2      ASN  27   3.436 -11.018   1.869
  228   2HD2  ASN  27          2HD2      ASN  27   5.140 -10.926   1.599
  229    H    LYS  28           H        LYS  28   1.083 -11.138   0.016
  230    HA   LYS  28           HA       LYS  28  -1.703 -10.465  -0.209
  231   1HB   LYS  28          1HB       LYS  28  -0.274 -13.085   0.248
  232   2HB   LYS  28          2HB       LYS  28  -2.021 -12.950   0.111
  233   1HG   LYS  28          1HG       LYS  28  -1.956 -12.748  -2.116
  234   2HG   LYS  28          2HG       LYS  28  -0.547 -11.687  -2.080
  235   1HD   LYS  28          1HD       LYS  28   0.170 -14.353  -1.255
  236   2HD   LYS  28          2HD       LYS  28  -0.629 -14.385  -2.828
  237   1HE   LYS  28          1HE       LYS  28   1.472 -12.331  -2.360
  238   2HE   LYS  28          2HE       LYS  28   1.982 -14.003  -2.590
  239   1HZ   LYS  28          1HZ       LYS  28   0.780 -14.037  -4.691
  240   2HZ   LYS  28          2HZ       LYS  28   1.939 -12.805  -4.682
  241   3HZ   LYS  28          3HZ       LYS  28   0.303 -12.429  -4.470
  242    H    LYS  29           H        LYS  29  -3.318 -10.695   1.326
  243    HA   LYS  29           HA       LYS  29  -2.512 -11.295   4.080
  244   1HB   LYS  29          1HB       LYS  29  -3.788  -9.331   4.906
  245   2HB   LYS  29          2HB       LYS  29  -2.372  -8.892   3.962
  246   1HG   LYS  29          1HG       LYS  29  -3.746  -7.508   2.884
  247   2HG   LYS  29          2HG       LYS  29  -4.330  -8.952   2.055
  248   1HD   LYS  29          1HD       LYS  29  -5.848  -9.080   4.257
  249   2HD   LYS  29          2HD       LYS  29  -5.601  -7.334   4.187
  250   1HE   LYS  29          1HE       LYS  29  -6.413  -7.332   1.866
  251   2HE   LYS  29          2HE       LYS  29  -6.695  -9.069   1.974
  252   1HZ   LYS  29          1HZ       LYS  29  -8.295  -8.659   3.742
  253   2HZ   LYS  29          2HZ       LYS  29  -8.729  -7.823   2.337
  254   3HZ   LYS  29          3HZ       LYS  29  -8.025  -6.992   3.631
  Start of MODEL   22
    1    H    TYR   1           H        TYR   1  -8.382  14.714   6.122
    2    HA   TYR   1           HA       TYR   1  -6.571  12.636   5.087
    3   1HB   TYR   1          1HB       TYR   1  -9.566  12.773   5.525
    4   2HB   TYR   1          2HB       TYR   1  -8.741  11.453   4.708
    5    HD1  TYR   1           HD1      TYR   1 -10.388  11.963   7.527
    6    HD2  TYR   1           HD2      TYR   1  -6.424  10.936   6.373
    7    HE1  TYR   1           HE1      TYR   1 -10.053  10.846   9.691
    8    HE2  TYR   1           HE2      TYR   1  -6.078   9.816   8.534
    9    HH   TYR   1           HH       TYR   1  -7.561  10.280  11.105
   10    H    LYS   2           H        LYS   2  -5.769  13.873   3.368
   11    HA   LYS   2           HA       LYS   2  -7.690  15.028   1.494
   12   1HB   LYS   2          1HB       LYS   2  -5.484  16.148   2.300
   13   2HB   LYS   2          2HB       LYS   2  -4.711  15.087   1.132
   14   1HG   LYS   2          1HG       LYS   2  -5.017  16.972  -0.125
   15   2HG   LYS   2          2HG       LYS   2  -6.490  16.077  -0.507
   16   1HD   LYS   2          1HD       LYS   2  -7.622  17.362   1.338
   17   2HD   LYS   2          2HD       LYS   2  -6.171  18.362   1.435
   18   1HE   LYS   2          1HE       LYS   2  -7.548  17.970  -1.192
   19   2HE   LYS   2          2HE       LYS   2  -8.186  19.130  -0.029
   20   1HZ   LYS   2          1HZ       LYS   2  -5.432  19.132  -1.146
   21   2HZ   LYS   2          2HZ       LYS   2  -6.033  20.240  -0.018
   22   3HZ   LYS   2          3HZ       LYS   2  -6.678  20.190  -1.581
   23    H    PHE   3           H        PHE   3  -5.161  12.539   1.610
   24    HA   PHE   3           HA       PHE   3  -5.714  11.738  -1.127
   25   1HB   PHE   3          1HB       PHE   3  -3.600  11.210   0.869
   26   2HB   PHE   3          2HB       PHE   3  -3.976   9.884  -0.215
   27    HD1  PHE   3           HD1      PHE   3  -3.525  10.041  -2.589
   28    HD2  PHE   3           HD2      PHE   3  -2.610  13.255   0.047
   29    HE1  PHE   3           HE1      PHE   3  -2.115  11.061  -4.328
   30    HE2  PHE   3           HE2      PHE   3  -1.199  14.281  -1.686
   31    HZ   PHE   3           HZ       PHE   3  -0.950  13.184  -3.877
   32    H    ALA   4           H        ALA   4  -5.922   9.381  -1.590
   33    HA   ALA   4           HA       ALA   4  -7.208   7.740   0.420
   34   1HB   ALA   4          1HB       ALA   4  -9.095   9.057  -0.350
   35   2HB   ALA   4          2HB       ALA   4  -9.254   7.390  -0.906
   36   3HB   ALA   4          3HB       ALA   4  -8.727   8.645  -2.026
   37    H    CYS   5           H        CYS   5  -6.816   5.609   0.047
   38    HA   CYS   5           HA       CYS   5  -5.045   4.870  -2.040
   39   1HB   CYS   5          1HB       CYS   5  -5.387   3.797   0.311
   40   2HB   CYS   5          2HB       CYS   5  -6.633   2.854  -0.490
   41    HG   CYS   5           HG       CYS   5  -4.798   1.350  -1.084
   42    HA   PRO   6           HA       PRO   6  -8.009   3.925  -5.212
   43   1HB   PRO   6          1HB       PRO   6  -6.368   2.674  -6.941
   44   2HB   PRO   6          2HB       PRO   6  -6.282   4.417  -6.662
   45   1HG   PRO   6          1HG       PRO   6  -4.562   2.235  -5.550
   46   2HG   PRO   6          2HG       PRO   6  -4.086   3.823  -6.178
   47   1HD   PRO   6          1HD       PRO   6  -4.339   3.265  -3.516
   48   2HD   PRO   6          2HD       PRO   6  -4.576   4.885  -4.205
   49    H    GLU   7           H        GLU   7  -6.174   1.520  -3.487
   50    HA   GLU   7           HA       GLU   7  -7.785  -0.659  -4.594
   51   1HB   GLU   7          1HB       GLU   7  -5.126  -0.558  -4.050
   52   2HB   GLU   7          2HB       GLU   7  -5.733  -1.266  -2.560
   53   1HG   GLU   7          1HG       GLU   7  -6.557  -2.378  -5.208
   54   2HG   GLU   7          2HG       GLU   7  -5.001  -2.804  -4.500
   55    H    CYS   8           H        CYS   8  -6.844   0.712  -1.431
   56    HA   CYS   8           HA       CYS   8  -9.193  -0.626  -0.248
   57   1HB   CYS   8          1HB       CYS   8  -8.057  -0.664   1.846
   58   2HB   CYS   8          2HB       CYS   8  -6.929  -1.256   0.641
   59    HG   CYS   8           HG       CYS   8  -5.407   0.599   1.146
   60    HA   PRO   9           HA       PRO   9 -10.765   3.326   0.954
   61   1HB   PRO   9          1HB       PRO   9 -12.196   2.732   3.125
   62   2HB   PRO   9          2HB       PRO   9 -12.568   2.005   1.558
   63   1HG   PRO   9          1HG       PRO   9 -11.209   0.815   3.922
   64   2HG   PRO   9          2HG       PRO   9 -12.273   0.048   2.732
   65   1HD   PRO   9          1HD       PRO   9  -9.446  -0.008   2.762
   66   2HD   PRO   9          2HD       PRO   9 -10.502  -0.556   1.450
   67    H    LYS  10           H        LYS  10  -7.991   3.038   1.947
   68    HA   LYS  10           HA       LYS  10  -8.066   4.092   4.645
   69   1HB   LYS  10          1HB       LYS  10  -5.705   3.639   2.811
   70   2HB   LYS  10          2HB       LYS  10  -5.607   4.128   4.479
   71   1HG   LYS  10          1HG       LYS  10  -7.020   1.606   3.746
   72   2HG   LYS  10          2HG       LYS  10  -5.261   1.650   3.880
   73   1HD   LYS  10          1HD       LYS  10  -5.361   2.274   6.165
   74   2HD   LYS  10          2HD       LYS  10  -7.087   2.623   6.066
   75   1HE   LYS  10          1HE       LYS  10  -5.935  -0.120   5.606
   76   2HE   LYS  10          2HE       LYS  10  -6.451   0.450   7.193
   77   1HZ   LYS  10          1HZ       LYS  10  -8.238  -0.757   6.238
   78   2HZ   LYS  10          2HZ       LYS  10  -8.137   0.091   4.778
   79   3HZ   LYS  10          3HZ       LYS  10  -8.670   0.878   6.177
   80    H    ARG  11           H        ARG  11  -7.045   6.093   5.225
   81    HA   ARG  11           HA       ARG  11  -6.794   8.107   3.128
   82   1HB   ARG  11          1HB       ARG  11  -8.267   9.683   4.364
   83   2HB   ARG  11          2HB       ARG  11  -9.127   8.295   3.719
   84   1HG   ARG  11          1HG       ARG  11  -8.160   7.984   6.475
   85   2HG   ARG  11          2HG       ARG  11  -9.388   9.227   6.242
   86   1HD   ARG  11          1HD       ARG  11 -11.006   7.727   5.741
   87   2HD   ARG  11          2HD       ARG  11  -9.891   6.642   4.910
   88    HE   ARG  11           HE       ARG  11  -9.656   5.473   6.854
   89   1HH1  ARG  11          1HH1      ARG  11 -10.937   8.637   7.647
   90   2HH1  ARG  11          2HH1      ARG  11 -11.180   8.253   9.317
   91   1HH2  ARG  11          1HH2      ARG  11  -9.981   4.977   9.055
   92   2HH2  ARG  11          2HH2      ARG  11 -10.639   6.177  10.116
   93    H    PHE  12           H        PHE  12  -5.170   9.502   3.522
   94    HA   PHE  12           HA       PHE  12  -4.190   9.776   6.280
   95   1HB   PHE  12          1HB       PHE  12  -2.345   9.406   3.947
   96   2HB   PHE  12          2HB       PHE  12  -1.916   9.424   5.641
   97    HD1  PHE  12           HD1      PHE  12  -4.290   7.531   3.458
   98    HD2  PHE  12           HD2      PHE  12  -1.304   7.376   6.487
   99    HE1  PHE  12           HE1      PHE  12  -4.463   5.094   3.490
  100    HE2  PHE  12           HE2      PHE  12  -1.480   4.919   6.525
  101    HZ   PHE  12           HZ       PHE  12  -3.062   3.777   5.011
  102    H    MET  13           H        MET  13  -3.059  11.695   6.743
  103    HA   MET  13           HA       MET  13  -3.866  13.943   5.117
  104   1HB   MET  13          1HB       MET  13  -2.264  13.822   7.680
  105   2HB   MET  13          2HB       MET  13  -2.821  15.303   6.911
  106   1HG   MET  13          1HG       MET  13  -5.155  14.019   7.110
  107   2HG   MET  13          2HG       MET  13  -4.313  13.295   8.478
  108   1HE   MET  13          1HE       MET  13  -6.663  14.276   9.039
  109   2HE   MET  13          2HE       MET  13  -7.012  15.987   9.289
  110   3HE   MET  13          3HE       MET  13  -6.225  15.052  10.561
  111    H    ARG  14           H        ARG  14  -1.036  11.997   5.509
  112    HA   ARG  14           HA       ARG  14   0.656  13.976   4.159
  113   1HB   ARG  14          1HB       ARG  14   1.380  11.327   5.430
  114   2HB   ARG  14          2HB       ARG  14   2.520  12.454   4.713
  115   1HG   ARG  14          1HG       ARG  14   2.733  12.968   6.929
  116   2HG   ARG  14          2HG       ARG  14   1.499  14.130   6.441
  117   1HD   ARG  14          1HD       ARG  14   0.122  13.296   7.971
  118   2HD   ARG  14          2HD       ARG  14   0.172  11.733   7.152
  119    HE   ARG  14           HE       ARG  14   2.402  12.230   8.915
  120   1HH1  ARG  14          1HH1      ARG  14  -0.847  10.948   8.662
  121   2HH1  ARG  14          2HH1      ARG  14  -0.683   9.926  10.049
  122   1HH2  ARG  14          1HH2      ARG  14   2.610  10.879  10.744
  123   2HH2  ARG  14          2HH2      ARG  14   1.277   9.887  11.231
  124    H    SER  15           H        SER  15   2.004  13.251   2.354
  125    HA   SER  15           HA       SER  15   0.489  11.495   0.580
  126   1HB   SER  15          1HB       SER  15   0.906  13.199  -0.776
  127   2HB   SER  15          2HB       SER  15   2.225  13.814   0.216
  128    HG   SER  15           HG       SER  15   3.619  12.766  -0.992
  129    H    ASP  16           H        ASP  16   3.828  11.931   1.741
  130    HA   ASP  16           HA       ASP  16   4.845   9.604   0.473
  131   1HB   ASP  16          1HB       ASP  16   6.047  11.718   1.558
  132   2HB   ASP  16          2HB       ASP  16   6.144  10.632   2.938
  133    H    HIS  17           H        HIS  17   3.854  10.262   3.834
  134    HA   HIS  17           HA       HIS  17   4.397   7.713   4.871
  135   1HB   HIS  17          1HB       HIS  17   2.483   9.887   5.688
  136   2HB   HIS  17          2HB       HIS  17   2.538   8.353   6.546
  137    HD1  HIS  17           HD1      HIS  17   3.247  10.001   8.568
  138    HD2  HIS  17           HD2      HIS  17   6.039   9.467   5.540
  139    HE1  HIS  17           HE1      HIS  17   5.430  10.781   9.526
  140    HE2  HIS  17           HE2      HIS  17   7.091  10.535   7.647
  141    H    LEU  18           H        LEU  18   1.470   9.026   3.350
  142    HA   LEU  18           HA       LEU  18  -0.231   6.849   3.762
  143   1HB   LEU  18          1HB       LEU  18  -0.891   9.075   2.901
  144   2HB   LEU  18          2HB       LEU  18  -0.137   8.689   1.376
  145    HG   LEU  18           HG       LEU  18  -2.285   6.918   2.454
  146   1HD1  LEU  18          1HD1      LEU  18  -3.804   8.385   0.958
  147   2HD1  LEU  18          2HD1      LEU  18  -2.587   9.630   1.258
  148   3HD1  LEU  18          3HD1      LEU  18  -3.453   8.901   2.607
  149   1HD2  LEU  18          1HD2      LEU  18  -1.781   5.886   0.556
  150   2HD2  LEU  18          2HD2      LEU  18  -0.812   7.245  -0.019
  151   3HD2  LEU  18          3HD2      LEU  18  -2.558   7.241  -0.269
  152    H    THR  19           H        THR  19   1.988   7.567   1.078
  153    HA   THR  19           HA       THR  19   1.377   5.303  -0.443
  154    HB   THR  19           HB       THR  19   4.000   6.815  -0.337
  155    HG1  THR  19           HG1      THR  19   2.736   8.340  -1.058
  156   1HG2  THR  19          1HG2      THR  19   4.148   6.134  -2.745
  157   2HG2  THR  19          2HG2      THR  19   2.850   4.985  -2.422
  158   3HG2  THR  19          3HG2      THR  19   4.388   4.837  -1.573
  159    H    LEU  20           H        LEU  20   3.534   5.799   2.285
  160    HA   LEU  20           HA       LEU  20   5.080   3.467   2.106
  161   1HB   LEU  20          1HB       LEU  20   5.361   5.426   3.705
  162   2HB   LEU  20          2HB       LEU  20   4.098   4.702   4.678
  163    HG   LEU  20           HG       LEU  20   5.548   2.633   4.830
  164   1HD1  LEU  20          1HD1      LEU  20   7.969   3.000   4.435
  165   2HD1  LEU  20          2HD1      LEU  20   7.572   4.523   3.639
  166   3HD1  LEU  20          3HD1      LEU  20   7.007   2.999   2.957
  167   1HD2  LEU  20          1HD2      LEU  20   6.656   5.193   5.975
  168   2HD2  LEU  20          2HD2      LEU  20   6.954   3.565   6.584
  169   3HD2  LEU  20          3HD2      LEU  20   5.330   4.249   6.656
  170    H    HIS  21           H        HIS  21   1.829   4.050   3.284
  171    HA   HIS  21           HA       HIS  21   1.356   1.580   4.545
  172   1HB   HIS  21          1HB       HIS  21  -0.586   2.608   5.005
  173   2HB   HIS  21          2HB       HIS  21  -0.086   3.959   4.028
  174    HD1  HIS  21           HD1      HIS  21  -2.073   4.595   2.653
  175    HD2  HIS  21           HD2      HIS  21  -1.547   0.490   2.806
  176    HE1  HIS  21           HE1      HIS  21  -3.909   3.581   1.250
  177    H    ILE  22           H        ILE  22   0.688   2.728   1.285
  178    HA   ILE  22           HA       ILE  22  -0.555   0.398   0.364
  179    HB   ILE  22           HB       ILE  22   0.942   2.275  -1.450
  180   1HG1  ILE  22          1HG1      ILE  22  -1.903   2.804  -0.815
  181   2HG1  ILE  22          2HG1      ILE  22  -0.761   3.219   0.443
  182   1HG2  ILE  22          1HG2      ILE  22  -1.748   1.287  -2.103
  183   2HG2  ILE  22          2HG2      ILE  22  -0.498   0.045  -2.020
  184   3HG2  ILE  22          3HG2      ILE  22  -0.310   1.413  -3.117
  185   1HD1  ILE  22          1HD1      ILE  22   0.374   4.271  -1.825
  186   2HD1  ILE  22          2HD1      ILE  22  -0.546   5.147  -0.603
  187   3HD1  ILE  22          3HD1      ILE  22  -1.352   4.546  -2.049
  188    H    LEU  23           H        LEU  23   2.638   0.642   1.279
  189    HA   LEU  23           HA       LEU  23   3.914  -0.882  -0.741
  190   1HB   LEU  23          1HB       LEU  23   4.703   0.405   1.599
  191   2HB   LEU  23          2HB       LEU  23   5.015  -1.290   1.901
  192    HG   LEU  23           HG       LEU  23   5.998  -0.668  -0.700
  193   1HD1  LEU  23          1HD1      LEU  23   7.690   1.001  -0.137
  194   2HD1  LEU  23          2HD1      LEU  23   6.968   1.198   1.460
  195   3HD1  LEU  23          3HD1      LEU  23   6.060   1.658   0.019
  196   1HD2  LEU  23          1HD2      LEU  23   8.085  -1.455   0.227
  197   2HD2  LEU  23          2HD2      LEU  23   6.762  -2.463   0.815
  198   3HD2  LEU  23          3HD2      LEU  23   7.475  -1.240   1.867
  199    H    LEU  24           H        LEU  24   2.036  -1.710   2.129
  200    HA   LEU  24           HA       LEU  24   2.728  -4.480   2.119
  201   1HB   LEU  24          1HB       LEU  24   0.442  -4.612   3.434
  202   2HB   LEU  24          2HB       LEU  24   1.923  -4.044   4.170
  203    HG   LEU  24           HG       LEU  24   1.143  -1.700   3.676
  204   1HD1  LEU  24          1HD1      LEU  24  -1.395  -3.184   3.008
  205   2HD1  LEU  24          2HD1      LEU  24  -0.501  -2.064   1.978
  206   3HD1  LEU  24          3HD1      LEU  24  -1.342  -1.465   3.408
  207   1HD2  LEU  24          1HD2      LEU  24  -0.848  -3.003   5.439
  208   2HD2  LEU  24          2HD2      LEU  24   0.157  -1.582   5.719
  209   3HD2  LEU  24          3HD2      LEU  24   0.863  -3.195   5.817
  210    H    HIS  25           H        HIS  25   0.503  -2.615   0.251
  211    HA   HIS  25           HA       HIS  25  -1.441  -4.523  -0.362
  212   1HB   HIS  25          1HB       HIS  25  -0.441  -2.045  -1.654
  213   2HB   HIS  25          2HB       HIS  25  -1.372  -3.145  -2.663
  214    HD1  HIS  25           HD1      HIS  25  -3.739  -3.939  -1.218
  215    HD2  HIS  25           HD2      HIS  25  -2.027  -0.216  -0.543
  216    HE1  HIS  25           HE1      HIS  25  -5.550  -2.498  -0.195
  217    H    GLU  26           H        GLU  26   1.848  -4.236  -1.498
  218    HA   GLU  26           HA       GLU  26   1.788  -5.599  -3.895
  219   1HB   GLU  26          1HB       GLU  26   3.801  -4.532  -2.929
  220   2HB   GLU  26          2HB       GLU  26   3.912  -5.832  -1.752
  221   1HG   GLU  26          1HG       GLU  26   5.483  -6.165  -3.565
  222   2HG   GLU  26          2HG       GLU  26   4.266  -7.441  -3.550
  223    H    ASN  27           H        ASN  27   1.975  -6.976  -0.617
  224    HA   ASN  27           HA       ASN  27   1.375  -9.621  -1.774
  225   1HB   ASN  27          1HB       ASN  27   3.066  -8.775   0.540
  226   2HB   ASN  27          2HB       ASN  27   2.254 -10.335   0.623
  227   1HD2  ASN  27          1HD2      ASN  27   4.430  -8.382  -1.355
  228   2HD2  ASN  27          2HD2      ASN  27   5.280  -9.715  -2.051
  229    H    LYS  28           H        LYS  28   0.109 -11.074  -0.299
  230    HA   LYS  28           HA       LYS  28  -1.967  -9.524   1.111
  231   1HB   LYS  28          1HB       LYS  28  -3.605 -11.109   0.415
  232   2HB   LYS  28          2HB       LYS  28  -2.684 -10.663  -1.013
  233   1HG   LYS  28          1HG       LYS  28  -2.416 -12.827  -1.404
  234   2HG   LYS  28          2HG       LYS  28  -1.358 -12.886   0.006
  235   1HD   LYS  28          1HD       LYS  28  -4.129 -12.953   0.806
  236   2HD   LYS  28          2HD       LYS  28  -3.785 -14.233  -0.358
  237   1HE   LYS  28          1HE       LYS  28  -1.849 -14.913   1.039
  238   2HE   LYS  28          2HE       LYS  28  -2.330 -13.706   2.229
  239   1HZ   LYS  28          1HZ       LYS  28  -3.152 -15.871   2.847
  240   2HZ   LYS  28          2HZ       LYS  28  -3.946 -16.042   1.363
  241   3HZ   LYS  28          3HZ       LYS  28  -4.456 -14.863   2.463
  242    H    LYS  29           H        LYS  29  -3.020 -10.588   2.919
  243    HA   LYS  29           HA       LYS  29  -1.419 -12.707   4.179
  244   1HB   LYS  29          1HB       LYS  29  -0.887 -10.361   5.051
  245   2HB   LYS  29          2HB       LYS  29  -2.503 -10.371   5.746
  246   1HG   LYS  29          1HG       LYS  29  -1.978 -12.015   7.281
  247   2HG   LYS  29          2HG       LYS  29  -0.618 -12.613   6.329
  248   1HD   LYS  29          1HD       LYS  29   0.754 -11.369   7.557
  249   2HD   LYS  29          2HD       LYS  29  -0.053  -9.920   6.953
  250   1HE   LYS  29          1HE       LYS  29  -1.435  -9.759   8.804
  251   2HE   LYS  29          2HE       LYS  29  -1.258 -11.464   9.211
  252   1HZ   LYS  29          1HZ       LYS  29   0.870  -9.409   9.489
  253   2HZ   LYS  29          2HZ       LYS  29   0.999 -11.038   9.925
  254   3HZ   LYS  29          3HZ       LYS  29  -0.068 -10.024  10.757
  Start of MODEL   23
    1    H    TYR   1           H        TYR   1 -11.609  14.735   2.178
    2    HA   TYR   1           HA       TYR   1  -9.361  14.743   2.811
    3   1HB   TYR   1          1HB       TYR   1 -10.326  12.382   1.206
    4   2HB   TYR   1          2HB       TYR   1  -8.813  12.324   2.104
    5    HD1  TYR   1           HD1      TYR   1 -12.400  12.087   2.296
    6    HD2  TYR   1           HD2      TYR   1  -8.871  12.659   4.603
    7    HE1  TYR   1           HE1      TYR   1 -13.642  11.493   4.333
    8    HE2  TYR   1           HE2      TYR   1 -10.102  12.065   6.646
    9    HH   TYR   1           HH       TYR   1 -13.044  12.199   7.126
   10    H    LYS   2           H        LYS   2  -7.121  14.336   2.287
   11    HA   LYS   2           HA       LYS   2  -6.334  15.652  -0.136
   12   1HB   LYS   2          1HB       LYS   2  -5.172  15.888   2.087
   13   2HB   LYS   2          2HB       LYS   2  -4.551  14.258   1.865
   14   1HG   LYS   2          1HG       LYS   2  -2.931  14.956   0.513
   15   2HG   LYS   2          2HG       LYS   2  -4.039  15.945  -0.439
   16   1HD   LYS   2          1HD       LYS   2  -3.901  17.726   1.211
   17   2HD   LYS   2          2HD       LYS   2  -2.854  16.731   2.223
   18   1HE   LYS   2          1HE       LYS   2  -1.331  18.082   1.129
   19   2HE   LYS   2          2HE       LYS   2  -1.338  16.636   0.120
   20   1HZ   LYS   2          1HZ       LYS   2  -2.898  19.107  -0.422
   21   2HZ   LYS   2          2HZ       LYS   2  -2.837  17.732  -1.407
   22   3HZ   LYS   2          3HZ       LYS   2  -1.452  18.677  -1.189
   23    H    PHE   3           H        PHE   3  -5.771  12.371   1.177
   24    HA   PHE   3           HA       PHE   3  -5.318  11.455  -1.585
   25   1HB   PHE   3          1HB       PHE   3  -3.700  11.137   0.830
   26   2HB   PHE   3          2HB       PHE   3  -4.038   9.621   0.016
   27    HD1  PHE   3           HD1      PHE   3  -3.260   9.245  -2.286
   28    HD2  PHE   3           HD2      PHE   3  -2.263  12.773  -0.126
   29    HE1  PHE   3           HE1      PHE   3  -1.462   9.720  -3.898
   30    HE2  PHE   3           HE2      PHE   3  -0.465  13.255  -1.732
   31    HZ   PHE   3           HZ       PHE   3  -0.062  11.727  -3.623
   32    H    ALA   4           H        ALA   4  -5.472   8.946  -1.640
   33    HA   ALA   4           HA       ALA   4  -7.247   7.617   0.127
   34   1HB   ALA   4          1HB       ALA   4  -9.112   7.335  -1.572
   35   2HB   ALA   4          2HB       ALA   4  -8.411   8.709  -2.425
   36   3HB   ALA   4          3HB       ALA   4  -9.009   8.906  -0.777
   37    H    CYS   5           H        CYS   5  -6.622   5.543   0.002
   38    HA   CYS   5           HA       CYS   5  -4.904   4.585  -2.013
   39   1HB   CYS   5          1HB       CYS   5  -5.186   3.691   0.377
   40   2HB   CYS   5          2HB       CYS   5  -6.558   2.791  -0.246
   41    HG   CYS   5           HG       CYS   5  -3.767   2.327  -1.508
   42    HA   PRO   6           HA       PRO   6  -7.865   3.503  -5.147
   43   1HB   PRO   6          1HB       PRO   6  -6.221   2.117  -6.779
   44   2HB   PRO   6          2HB       PRO   6  -6.134   3.875  -6.624
   45   1HG   PRO   6          1HG       PRO   6  -4.427   1.775  -5.343
   46   2HG   PRO   6          2HG       PRO   6  -3.941   3.309  -6.085
   47   1HD   PRO   6          1HD       PRO   6  -4.198   2.967  -3.397
   48   2HD   PRO   6          2HD       PRO   6  -4.458   4.525  -4.208
   49    H    GLU   7           H        GLU   7  -6.169   1.224  -3.173
   50    HA   GLU   7           HA       GLU   7  -7.760  -1.015  -4.191
   51   1HB   GLU   7          1HB       GLU   7  -5.151  -0.750  -2.820
   52   2HB   GLU   7          2HB       GLU   7  -6.119  -2.143  -2.369
   53   1HG   GLU   7          1HG       GLU   7  -6.065  -3.033  -4.523
   54   2HG   GLU   7          2HG       GLU   7  -5.581  -1.496  -5.241
   55    H    CYS   8           H        CYS   8  -6.883   0.602  -1.127
   56    HA   CYS   8           HA       CYS   8  -9.283  -0.612   0.090
   57   1HB   CYS   8          1HB       CYS   8  -8.158  -0.602   2.212
   58   2HB   CYS   8          2HB       CYS   8  -7.107  -1.369   1.037
   59    HG   CYS   8           HG       CYS   8  -5.418   0.384   1.374
   60    HA   PRO   9           HA       PRO   9 -10.655   3.460   1.120
   61   1HB   PRO   9          1HB       PRO   9 -12.173   3.025   3.265
   62   2HB   PRO   9          2HB       PRO   9 -12.535   2.249   1.719
   63   1HG   PRO   9          1HG       PRO   9 -11.280   1.104   4.167
   64   2HG   PRO   9          2HG       PRO   9 -12.373   0.340   3.001
   65   1HD   PRO   9          1HD       PRO   9  -9.561   0.117   3.069
   66   2HD   PRO   9          2HD       PRO   9 -10.628  -0.405   1.755
   67    H    LYS  10           H        LYS  10  -7.920   2.908   2.342
   68    HA   LYS  10           HA       LYS  10  -8.042   4.131   4.950
   69   1HB   LYS  10          1HB       LYS  10  -5.582   3.654   3.266
   70   2HB   LYS  10          2HB       LYS  10  -5.634   3.978   4.974
   71   1HG   LYS  10          1HG       LYS  10  -7.146   1.617   4.071
   72   2HG   LYS  10          2HG       LYS  10  -5.388   1.524   3.956
   73   1HD   LYS  10          1HD       LYS  10  -5.967   2.650   6.472
   74   2HD   LYS  10          2HD       LYS  10  -7.068   1.285   6.267
   75   1HE   LYS  10          1HE       LYS  10  -5.144   0.375   7.263
   76   2HE   LYS  10          2HE       LYS  10  -5.026  -0.054   5.559
   77   1HZ   LYS  10          1HZ       LYS  10  -2.917   0.747   6.435
   78   2HZ   LYS  10          2HZ       LYS  10  -3.627   2.222   6.859
   79   3HZ   LYS  10          3HZ       LYS  10  -3.500   1.784   5.230
   80    H    ARG  11           H        ARG  11  -7.198   6.146   5.521
   81    HA   ARG  11           HA       ARG  11  -6.729   8.073   3.366
   82   1HB   ARG  11          1HB       ARG  11  -8.532   8.648   5.712
   83   2HB   ARG  11          2HB       ARG  11  -8.227   9.674   4.326
   84   1HG   ARG  11          1HG       ARG  11  -9.324   8.015   2.876
   85   2HG   ARG  11          2HG       ARG  11  -9.685   7.044   4.303
   86   1HD   ARG  11          1HD       ARG  11 -10.532   9.905   4.206
   87   2HD   ARG  11          2HD       ARG  11 -11.469   8.692   3.338
   88    HE   ARG  11           HE       ARG  11 -11.319   9.066   6.190
   89   1HH1  ARG  11          1HH1      ARG  11 -12.063   6.792   3.632
   90   2HH1  ARG  11          2HH1      ARG  11 -13.101   5.827   4.626
   91   1HH2  ARG  11          1HH2      ARG  11 -12.685   7.791   7.494
   92   2HH2  ARG  11          2HH2      ARG  11 -13.456   6.394   6.819
   93    H    PHE  12           H        PHE  12  -5.151   9.522   3.786
   94    HA   PHE  12           HA       PHE  12  -4.167   9.785   6.542
   95   1HB   PHE  12          1HB       PHE  12  -2.341   9.368   4.200
   96   2HB   PHE  12          2HB       PHE  12  -1.878   9.462   5.883
   97    HD1  PHE  12           HD1      PHE  12  -4.308   7.458   3.864
   98    HD2  PHE  12           HD2      PHE  12  -1.198   7.451   6.766
   99    HE1  PHE  12           HE1      PHE  12  -4.456   5.023   4.002
  100    HE2  PHE  12           HE2      PHE  12  -1.345   4.996   6.909
  101    HZ   PHE  12           HZ       PHE  12  -2.976   3.781   5.509
  102    H    MET  13           H        MET  13  -2.965  11.694   6.978
  103    HA   MET  13           HA       MET  13  -3.804  13.950   5.382
  104   1HB   MET  13          1HB       MET  13  -2.351  13.635   7.990
  105   2HB   MET  13          2HB       MET  13  -2.385  15.194   7.178
  106   1HG   MET  13          1HG       MET  13  -4.591  15.522   7.592
  107   2HG   MET  13          2HG       MET  13  -4.971  13.802   7.554
  108   1HE   MET  13          1HE       MET  13  -3.881  12.152   9.599
  109   2HE   MET  13          2HE       MET  13  -5.599  12.547   9.551
  110   3HE   MET  13          3HE       MET  13  -4.721  12.611  11.080
  111    H    ARG  14           H        ARG  14  -0.955  12.003   5.703
  112    HA   ARG  14           HA       ARG  14   0.682  13.974   4.275
  113   1HB   ARG  14          1HB       ARG  14   1.462  11.347   5.558
  114   2HB   ARG  14          2HB       ARG  14   2.573  12.475   4.797
  115   1HG   ARG  14          1HG       ARG  14   2.856  13.094   6.958
  116   2HG   ARG  14          2HG       ARG  14   1.498  14.145   6.551
  117   1HD   ARG  14          1HD       ARG  14   0.247  13.185   8.114
  118   2HD   ARG  14          2HD       ARG  14   0.490  11.602   7.371
  119    HE   ARG  14           HE       ARG  14   2.750  12.337   8.916
  120   1HH1  ARG  14          1HH1      ARG  14  -0.546  11.203   9.241
  121   2HH1  ARG  14          2HH1      ARG  14  -0.259  10.428  10.762
  122   1HH2  ARG  14          1HH2      ARG  14   3.123  11.313  10.919
  123   2HH2  ARG  14          2HH2      ARG  14   1.824  10.490  11.717
  124    H    SER  15           H        SER  15   2.040  13.195   2.484
  125    HA   SER  15           HA       SER  15   0.483  11.465   0.727
  126   1HB   SER  15          1HB       SER  15   0.928  13.282  -0.512
  127   2HB   SER  15          2HB       SER  15   2.437  13.648   0.320
  128    HG   SER  15           HG       SER  15   1.950  11.990  -1.870
  129    H    ASP  16           H        ASP  16   3.854  11.851   1.821
  130    HA   ASP  16           HA       ASP  16   4.797   9.481   0.583
  131   1HB   ASP  16          1HB       ASP  16   6.037  11.604   1.669
  132   2HB   ASP  16          2HB       ASP  16   6.193  10.462   2.999
  133    H    HIS  17           H        HIS  17   3.814  10.207   3.928
  134    HA   HIS  17           HA       HIS  17   4.364   7.680   5.013
  135   1HB   HIS  17          1HB       HIS  17   2.537   9.919   5.795
  136   2HB   HIS  17          2HB       HIS  17   2.428   8.376   6.630
  137    HD1  HIS  17           HD1      HIS  17   3.190   9.787   8.753
  138    HD2  HIS  17           HD2      HIS  17   6.033   9.362   5.754
  139    HE1  HIS  17           HE1      HIS  17   5.375  10.422   9.806
  140    HE2  HIS  17           HE2      HIS  17   7.099  10.054   8.008
  141    H    LEU  18           H        LEU  18   1.409   8.971   3.508
  142    HA   LEU  18           HA       LEU  18  -0.249   6.758   3.957
  143   1HB   LEU  18          1HB       LEU  18  -0.952   9.006   3.131
  144   2HB   LEU  18          2HB       LEU  18  -0.285   8.601   1.572
  145    HG   LEU  18           HG       LEU  18  -2.366   6.845   2.799
  146   1HD1  LEU  18          1HD1      LEU  18  -2.740   9.525   1.547
  147   2HD1  LEU  18          2HD1      LEU  18  -3.520   8.838   2.968
  148   3HD1  LEU  18          3HD1      LEU  18  -3.969   8.272   1.362
  149   1HD2  LEU  18          1HD2      LEU  18  -1.065   7.175   0.210
  150   2HD2  LEU  18          2HD2      LEU  18  -2.820   7.031   0.118
  151   3HD2  LEU  18          3HD2      LEU  18  -1.870   5.770   0.911
  152    H    THR  19           H        THR  19   1.848   7.569   1.201
  153    HA   THR  19           HA       THR  19   1.243   5.323  -0.339
  154    HB   THR  19           HB       THR  19   3.836   6.886  -0.255
  155    HG1  THR  19           HG1      THR  19   1.473   7.238  -1.783
  156   1HG2  THR  19          1HG2      THR  19   3.974   6.228  -2.670
  157   2HG2  THR  19          2HG2      THR  19   2.717   5.036  -2.339
  158   3HG2  THR  19          3HG2      THR  19   4.271   4.932  -1.510
  159    H    LEU  20           H        LEU  20   3.441   5.775   2.365
  160    HA   LEU  20           HA       LEU  20   5.015   3.471   2.087
  161   1HB   LEU  20          1HB       LEU  20   5.383   5.331   3.730
  162   2HB   LEU  20          2HB       LEU  20   4.046   4.705   4.671
  163    HG   LEU  20           HG       LEU  20   6.358   4.104   5.480
  164   1HD1  LEU  20          1HD1      LEU  20   4.982   1.548   4.926
  165   2HD1  LEU  20          2HD1      LEU  20   4.050   2.800   5.747
  166   3HD1  LEU  20          3HD1      LEU  20   5.561   2.223   6.448
  167   1HD2  LEU  20          1HD2      LEU  20   7.622   2.440   4.376
  168   2HD2  LEU  20          2HD2      LEU  20   7.213   3.638   3.148
  169   3HD2  LEU  20          3HD2      LEU  20   6.326   2.116   3.224
  170    H    HIS  21           H        HIS  21   1.870   3.999   3.609
  171    HA   HIS  21           HA       HIS  21   1.429   1.487   4.711
  172   1HB   HIS  21          1HB       HIS  21  -0.509   2.475   5.283
  173   2HB   HIS  21          2HB       HIS  21  -0.053   3.867   4.338
  174    HD1  HIS  21           HD1      HIS  21  -2.126   4.536   3.089
  175    HD2  HIS  21           HD2      HIS  21  -1.511   0.448   2.994
  176    HE1  HIS  21           HE1      HIS  21  -3.990   3.551   1.692
  177    H    ILE  22           H        ILE  22   0.457   2.715   1.552
  178    HA   ILE  22           HA       ILE  22  -0.838   0.495   0.593
  179    HB   ILE  22           HB       ILE  22   0.762   2.328  -1.183
  180   1HG1  ILE  22          1HG1      ILE  22  -2.088   2.871  -0.532
  181   2HG1  ILE  22          2HG1      ILE  22  -0.910   3.303   0.684
  182   1HG2  ILE  22          1HG2      ILE  22  -0.471   0.217  -2.042
  183   2HG2  ILE  22          2HG2      ILE  22  -0.728   1.748  -2.876
  184   3HG2  ILE  22          3HG2      ILE  22  -1.937   1.151  -1.736
  185   1HD1  ILE  22          1HD1      ILE  22   0.124   4.298  -1.682
  186   2HD1  ILE  22          2HD1      ILE  22  -0.664   5.204  -0.391
  187   3HD1  ILE  22          3HD1      ILE  22  -1.607   4.625  -1.763
  188    H    LEU  23           H        LEU  23   2.528   0.685   1.179
  189    HA   LEU  23           HA       LEU  23   3.530  -0.988  -0.819
  190   1HB   LEU  23          1HB       LEU  23   5.443  -0.754   0.299
  191   2HB   LEU  23          2HB       LEU  23   4.560   0.231   1.441
  192    HG   LEU  23           HG       LEU  23   4.633  -2.727   1.861
  193   1HD1  LEU  23          1HD1      LEU  23   6.868  -0.849   2.609
  194   2HD1  LEU  23          2HD1      LEU  23   6.954  -2.119   1.390
  195   3HD1  LEU  23          3HD1      LEU  23   6.723  -2.540   3.086
  196   1HD2  LEU  23          1HD2      LEU  23   4.876  -0.555   3.910
  197   2HD2  LEU  23          2HD2      LEU  23   4.251  -2.194   4.091
  198   3HD2  LEU  23          3HD2      LEU  23   3.309  -0.981   3.224
  199    H    LEU  24           H        LEU  24   1.734  -1.732   2.136
  200    HA   LEU  24           HA       LEU  24   2.186  -4.473   2.306
  201   1HB   LEU  24          1HB       LEU  24  -0.150  -4.581   3.305
  202   2HB   LEU  24          2HB       LEU  24   1.017  -3.542   4.094
  203    HG   LEU  24           HG       LEU  24  -0.194  -1.775   2.410
  204   1HD1  LEU  24          1HD1      LEU  24  -2.545  -2.087   2.416
  205   2HD1  LEU  24          2HD1      LEU  24  -2.409  -3.546   3.402
  206   3HD1  LEU  24          3HD1      LEU  24  -1.820  -3.548   1.740
  207   1HD2  LEU  24          1HD2      LEU  24   0.308  -1.679   4.888
  208   2HD2  LEU  24          2HD2      LEU  24  -1.268  -2.432   5.137
  209   3HD2  LEU  24          3HD2      LEU  24  -1.157  -0.854   4.355
  210    H    HIS  25           H        HIS  25   0.094  -2.715   0.106
  211    HA   HIS  25           HA       HIS  25  -1.447  -4.909  -0.776
  212   1HB   HIS  25          1HB       HIS  25  -0.796  -2.276  -2.102
  213   2HB   HIS  25          2HB       HIS  25  -1.933  -3.444  -2.762
  214    HD1  HIS  25           HD1      HIS  25  -3.976  -4.052  -0.932
  215    HD2  HIS  25           HD2      HIS  25  -1.948  -0.452  -0.520
  216    HE1  HIS  25           HE1      HIS  25  -5.452  -2.558   0.486
  217    H    GLU  26           H        GLU  26   1.030  -3.199  -2.726
  218    HA   GLU  26           HA       GLU  26   1.455  -5.672  -4.219
  219   1HB   GLU  26          1HB       GLU  26   1.855  -2.790  -4.761
  220   2HB   GLU  26          2HB       GLU  26   2.995  -3.891  -5.520
  221   1HG   GLU  26          1HG       GLU  26   1.170  -3.433  -7.020
  222   2HG   GLU  26          2HG       GLU  26   1.124  -5.123  -6.520
  223    H    ASN  27           H        ASN  27   3.384  -3.287  -2.400
  224    HA   ASN  27           HA       ASN  27   5.883  -4.510  -2.844
  225   1HB   ASN  27          1HB       ASN  27   5.121  -2.171  -1.731
  226   2HB   ASN  27          2HB       ASN  27   5.499  -3.085  -0.274
  227   1HD2  ASN  27          1HD2      ASN  27   6.739  -1.165  -2.701
  228   2HD2  ASN  27          2HD2      ASN  27   8.417  -1.502  -2.473
  229    H    LYS  28           H        LYS  28   6.066  -6.645  -2.440
  230    HA   LYS  28           HA       LYS  28   5.993  -7.480   0.349
  231   1HB   LYS  28          1HB       LYS  28   4.120  -8.437  -1.734
  232   2HB   LYS  28          2HB       LYS  28   4.842  -9.682  -0.726
  233   1HG   LYS  28          1HG       LYS  28   3.842  -8.892   1.201
  234   2HG   LYS  28          2HG       LYS  28   3.594  -7.278   0.532
  235   1HD   LYS  28          1HD       LYS  28   1.799  -8.007  -0.819
  236   2HD   LYS  28          2HD       LYS  28   2.194  -9.707  -0.558
  237   1HE   LYS  28          1HE       LYS  28   1.472  -7.955   1.757
  238   2HE   LYS  28          2HE       LYS  28   0.208  -8.629   0.730
  239   1HZ   LYS  28          1HZ       LYS  28   0.625 -10.052   2.620
  240   2HZ   LYS  28          2HZ       LYS  28   2.262 -10.183   2.212
  241   3HZ   LYS  28          3HZ       LYS  28   1.081 -10.846   1.197
  242    H    LYS  29           H        LYS  29   8.188  -6.979  -1.310
  243    HA   LYS  29           HA       LYS  29   9.566  -9.487  -1.120
  244   1HB   LYS  29          1HB       LYS  29  10.315  -9.478  -3.520
  245   2HB   LYS  29          2HB       LYS  29   8.632  -9.913  -3.272
  246   1HG   LYS  29          1HG       LYS  29   8.291  -7.314  -3.688
  247   2HG   LYS  29          2HG       LYS  29   9.807  -7.522  -4.568
  248   1HD   LYS  29          1HD       LYS  29   8.728  -9.424  -5.794
  249   2HD   LYS  29          2HD       LYS  29   7.205  -8.977  -5.024
  250   1HE   LYS  29          1HE       LYS  29   8.799  -6.951  -6.551
  251   2HE   LYS  29          2HE       LYS  29   7.738  -8.078  -7.395
  252   1HZ   LYS  29          1HZ       LYS  29   6.594  -6.020  -6.926
  253   2HZ   LYS  29          2HZ       LYS  29   6.917  -6.168  -5.273
  254   3HZ   LYS  29          3HZ       LYS  29   5.891  -7.276  -6.037
  Start of MODEL   24
    1    H    TYR   1           H        TYR   1  -7.064  11.715   7.598
    2    HA   TYR   1           HA       TYR   1  -8.426  11.091   5.628
    3   1HB   TYR   1          1HB       TYR   1  -9.066  12.251   7.882
    4   2HB   TYR   1          2HB       TYR   1  -9.308  13.674   6.877
    5    HD1  TYR   1           HD1      TYR   1 -10.331  10.099   7.167
    6    HD2  TYR   1           HD2      TYR   1 -11.359  14.005   5.827
    7    HE1  TYR   1           HE1      TYR   1 -12.591   9.307   6.607
    8    HE2  TYR   1           HE2      TYR   1 -13.621  13.223   5.264
    9    HH   TYR   1           HH       TYR   1 -15.096  10.936   6.331
   10    H    LYS   2           H        LYS   2  -6.185  12.751   4.509
   11    HA   LYS   2           HA       LYS   2  -7.642  14.674   2.864
   12   1HB   LYS   2          1HB       LYS   2  -5.168  14.810   4.024
   13   2HB   LYS   2          2HB       LYS   2  -4.761  14.350   2.378
   14   1HG   LYS   2          1HG       LYS   2  -6.534  16.683   3.053
   15   2HG   LYS   2          2HG       LYS   2  -4.788  16.811   2.837
   16   1HD   LYS   2          1HD       LYS   2  -5.285  17.195   0.681
   17   2HD   LYS   2          2HD       LYS   2  -5.531  15.451   0.588
   18   1HE   LYS   2          1HE       LYS   2  -7.581  15.969  -0.154
   19   2HE   LYS   2          2HE       LYS   2  -7.945  16.319   1.535
   20   1HZ   LYS   2          1HZ       LYS   2  -8.616  18.149   0.147
   21   2HZ   LYS   2          2HZ       LYS   2  -7.066  18.282  -0.514
   22   3HZ   LYS   2          3HZ       LYS   2  -7.322  18.641   1.119
   23    H    PHE   3           H        PHE   3  -5.200  12.121   2.289
   24    HA   PHE   3           HA       PHE   3  -6.060  11.886  -0.467
   25   1HB   PHE   3          1HB       PHE   3  -3.795  10.738   1.148
   26   2HB   PHE   3          2HB       PHE   3  -4.159  10.168  -0.462
   27    HD1  PHE   3           HD1      PHE   3  -3.642  11.482  -2.402
   28    HD2  PHE   3           HD2      PHE   3  -3.016  13.033   1.513
   29    HE1  PHE   3           HE1      PHE   3  -2.310  13.322  -3.347
   30    HE2  PHE   3           HE2      PHE   3  -1.684  14.875   0.574
   31    HZ   PHE   3           HZ       PHE   3  -1.330  15.022  -1.860
   32    H    ALA   4           H        ALA   4  -5.945   9.459  -1.273
   33    HA   ALA   4           HA       ALA   4  -7.209   7.573   0.528
   34   1HB   ALA   4          1HB       ALA   4  -9.123   8.859  -0.256
   35   2HB   ALA   4          2HB       ALA   4  -9.168   7.218  -0.900
   36   3HB   ALA   4          3HB       ALA   4  -8.657   8.555  -1.929
   37    H    CYS   5           H        CYS   5  -6.828   5.470  -0.042
   38    HA   CYS   5           HA       CYS   5  -4.882   4.975  -2.082
   39   1HB   CYS   5          1HB       CYS   5  -5.145   3.752   0.165
   40   2HB   CYS   5          2HB       CYS   5  -6.434   2.849  -0.615
   41    HG   CYS   5           HG       CYS   5  -4.703   1.367  -1.479
   42    HA   PRO   6           HA       PRO   6  -7.666   4.101  -5.428
   43   1HB   PRO   6          1HB       PRO   6  -5.994   2.710  -7.040
   44   2HB   PRO   6          2HB       PRO   6  -5.863   4.458  -6.811
   45   1HG   PRO   6          1HG       PRO   6  -4.287   2.256  -5.532
   46   2HG   PRO   6          2HG       PRO   6  -3.719   3.799  -6.194
   47   1HD   PRO   6          1HD       PRO   6  -4.097   3.385  -3.539
   48   2HD   PRO   6          2HD       PRO   6  -4.316   4.973  -4.307
   49    H    GLU   7           H        GLU   7  -6.098   1.607  -3.580
   50    HA   GLU   7           HA       GLU   7  -7.801  -0.467  -4.753
   51   1HB   GLU   7          1HB       GLU   7  -5.191  -0.433  -3.339
   52   2HB   GLU   7          2HB       GLU   7  -6.217  -1.830  -3.072
   53   1HG   GLU   7          1HG       GLU   7  -4.755  -2.357  -4.858
   54   2HG   GLU   7          2HG       GLU   7  -6.356  -2.102  -5.552
   55    H    CYS   8           H        CYS   8  -6.818   0.834  -1.577
   56    HA   CYS   8           HA       CYS   8  -9.226  -0.393  -0.396
   57   1HB   CYS   8          1HB       CYS   8  -8.079  -0.367   1.727
   58   2HB   CYS   8          2HB       CYS   8  -7.044  -1.129   0.531
   59    HG   CYS   8           HG       CYS   8  -5.350   0.603   0.889
   60    HA   PRO   9           HA       PRO   9 -10.683   3.629   0.725
   61   1HB   PRO   9          1HB       PRO   9 -12.139   3.136   2.903
   62   2HB   PRO   9          2HB       PRO   9 -12.530   2.388   1.351
   63   1HG   PRO   9          1HG       PRO   9 -11.211   1.210   3.745
   64   2HG   PRO   9          2HG       PRO   9 -12.309   0.453   2.580
   65   1HD   PRO   9          1HD       PRO   9  -9.495   0.277   2.601
   66   2HD   PRO   9          2HD       PRO   9 -10.572  -0.239   1.294
   67    H    LYS  10           H        LYS  10  -7.931   2.944   2.036
   68    HA   LYS  10           HA       LYS  10  -8.034   4.208   4.599
   69   1HB   LYS  10          1HB       LYS  10  -5.606   3.728   2.859
   70   2HB   LYS  10          2HB       LYS  10  -5.599   4.128   4.555
   71   1HG   LYS  10          1HG       LYS  10  -6.731   2.022   5.068
   72   2HG   LYS  10          2HG       LYS  10  -6.700   1.608   3.355
   73   1HD   LYS  10          1HD       LYS  10  -4.593   0.892   3.485
   74   2HD   LYS  10          2HD       LYS  10  -4.078   2.370   4.300
   75   1HE   LYS  10          1HE       LYS  10  -4.779   1.478   6.435
   76   2HE   LYS  10          2HE       LYS  10  -5.427   0.037   5.651
   77   1HZ   LYS  10          1HZ       LYS  10  -2.568   0.845   5.702
   78   2HZ   LYS  10          2HZ       LYS  10  -3.184  -0.534   4.939
   79   3HZ   LYS  10          3HZ       LYS  10  -3.263  -0.393   6.623
   80    H    ARG  11           H        ARG  11  -7.052   6.223   5.162
   81    HA   ARG  11           HA       ARG  11  -6.729   8.165   3.000
   82   1HB   ARG  11          1HB       ARG  11  -8.102   9.574   4.994
   83   2HB   ARG  11          2HB       ARG  11  -8.695   9.142   3.401
   84   1HG   ARG  11          1HG       ARG  11  -9.203   6.852   4.735
   85   2HG   ARG  11          2HG       ARG  11  -9.362   8.027   6.040
   86   1HD   ARG  11          1HD       ARG  11 -11.491   8.083   5.249
   87   2HD   ARG  11          2HD       ARG  11 -10.780   9.309   4.200
   88    HE   ARG  11           HE       ARG  11 -10.444   7.036   2.783
   89   1HH1  ARG  11          1HH1      ARG  11 -13.241   8.466   4.332
   90   2HH1  ARG  11          2HH1      ARG  11 -14.365   7.792   3.200
   91   1HH2  ARG  11          1HH2      ARG  11 -11.929   6.149   1.297
   92   2HH2  ARG  11          2HH2      ARG  11 -13.620   6.476   1.477
   93    H    PHE  12           H        PHE  12  -5.101   9.579   3.339
   94    HA   PHE  12           HA       PHE  12  -4.057   9.869   6.072
   95   1HB   PHE  12          1HB       PHE  12  -2.309   9.417   3.681
   96   2HB   PHE  12          2HB       PHE  12  -1.790   9.528   5.347
   97    HD1  PHE  12           HD1      PHE  12  -4.247   7.536   3.366
   98    HD2  PHE  12           HD2      PHE  12  -1.175   7.529   6.307
   99    HE1  PHE  12           HE1      PHE  12  -4.439   5.106   3.546
  100    HE2  PHE  12           HE2      PHE  12  -1.366   5.080   6.495
  101    HZ   PHE  12           HZ       PHE  12  -3.002   3.867   5.098
  102    H    MET  13           H        MET  13  -3.041  11.797   6.552
  103    HA   MET  13           HA       MET  13  -3.808  14.042   4.944
  104   1HB   MET  13          1HB       MET  13  -2.154  13.816   7.461
  105   2HB   MET  13          2HB       MET  13  -2.533  15.350   6.690
  106   1HG   MET  13          1HG       MET  13  -4.987  14.593   6.902
  107   2HG   MET  13          2HG       MET  13  -4.362  13.434   8.072
  108   1HE   MET  13          1HE       MET  13  -6.162  16.824   9.600
  109   2HE   MET  13          2HE       MET  13  -6.559  15.470   8.543
  110   3HE   MET  13          3HE       MET  13  -5.924  16.966   7.857
  111    H    ARG  14           H        ARG  14  -0.921  12.122   5.337
  112    HA   ARG  14           HA       ARG  14   0.655  14.031   3.765
  113   1HB   ARG  14          1HB       ARG  14   1.425  11.603   5.381
  114   2HB   ARG  14          2HB       ARG  14   2.550  12.420   4.312
  115   1HG   ARG  14          1HG       ARG  14   2.303  14.476   5.595
  116   2HG   ARG  14          2HG       ARG  14   1.146  13.678   6.661
  117   1HD   ARG  14          1HD       ARG  14   3.214  13.636   7.797
  118   2HD   ARG  14          2HD       ARG  14   2.965  12.003   7.177
  119    HE   ARG  14           HE       ARG  14   4.441  13.050   5.232
  120   1HH1  ARG  14          1HH1      ARG  14   4.866  13.243   8.706
  121   2HH1  ARG  14          2HH1      ARG  14   6.589  13.372   8.608
  122   1HH2  ARG  14          1HH2      ARG  14   6.713  13.218   5.117
  123   2HH2  ARG  14          2HH2      ARG  14   7.637  13.359   6.575
  124    H    SER  15           H        SER  15   1.936  13.239   1.971
  125    HA   SER  15           HA       SER  15   0.437  11.315   0.372
  126   1HB   SER  15          1HB       SER  15   0.798  12.914  -1.118
  127   2HB   SER  15          2HB       SER  15   2.106  13.640  -0.187
  128    HG   SER  15           HG       SER  15   3.120  12.887  -1.945
  129    H    ASP  16           H        ASP  16   3.739  11.850   1.561
  130    HA   ASP  16           HA       ASP  16   4.820   9.502   0.373
  131   1HB   ASP  16          1HB       ASP  16   6.811   9.959   1.637
  132   2HB   ASP  16          2HB       ASP  16   6.168  11.495   1.077
  133    H    HIS  17           H        HIS  17   3.441  10.218   3.549
  134    HA   HIS  17           HA       HIS  17   4.120   7.727   4.739
  135   1HB   HIS  17          1HB       HIS  17   2.186   9.919   5.407
  136   2HB   HIS  17          2HB       HIS  17   2.121   8.395   6.279
  137    HD1  HIS  17           HD1      HIS  17   2.830   9.670   8.441
  138    HD2  HIS  17           HD2      HIS  17   5.640   9.733   5.384
  139    HE1  HIS  17           HE1      HIS  17   4.950  10.488   9.497
  140    HE2  HIS  17           HE2      HIS  17   6.619  10.603   7.615
  141    H    LEU  18           H        LEU  18   1.218   8.922   3.070
  142    HA   LEU  18           HA       LEU  18  -0.391   6.658   3.446
  143   1HB   LEU  18          1HB       LEU  18  -1.104   8.887   2.544
  144   2HB   LEU  18          2HB       LEU  18  -0.362   8.451   1.026
  145    HG   LEU  18           HG       LEU  18  -2.439   6.662   2.210
  146   1HD1  LEU  18          1HD1      LEU  18  -3.220   8.843   0.342
  147   2HD1  LEU  18          2HD1      LEU  18  -3.141   9.166   2.073
  148   3HD1  LEU  18          3HD1      LEU  18  -4.216   7.910   1.458
  149   1HD2  LEU  18          1HD2      LEU  18  -2.787   6.818  -0.494
  150   2HD2  LEU  18          2HD2      LEU  18  -1.864   5.578   0.359
  151   3HD2  LEU  18          3HD2      LEU  18  -1.040   6.985  -0.319
  152    H    THR  19           H        THR  19   1.860   7.524   0.831
  153    HA   THR  19           HA       THR  19   1.451   5.238  -0.722
  154    HB   THR  19           HB       THR  19   3.967   6.907  -0.469
  155    HG1  THR  19           HG1      THR  19   1.693   7.156  -2.139
  156   1HG2  THR  19          1HG2      THR  19   4.352   6.225  -2.835
  157   2HG2  THR  19          2HG2      THR  19   3.086   5.014  -2.630
  158   3HG2  THR  19          3HG2      THR  19   4.551   4.932  -1.650
  159    H    LEU  20           H        LEU  20   3.455   5.854   2.091
  160    HA   LEU  20           HA       LEU  20   5.106   3.584   2.007
  161   1HB   LEU  20          1HB       LEU  20   5.065   5.677   3.596
  162   2HB   LEU  20          2HB       LEU  20   4.036   4.670   4.591
  163    HG   LEU  20           HG       LEU  20   6.295   4.537   5.392
  164   1HD1  LEU  20          1HD1      LEU  20   4.808   2.451   5.229
  165   2HD1  LEU  20          2HD1      LEU  20   6.525   2.233   5.568
  166   3HD1  LEU  20          3HD1      LEU  20   5.904   1.948   3.943
  167   1HD2  LEU  20          1HD2      LEU  20   7.399   5.176   3.278
  168   2HD2  LEU  20          2HD2      LEU  20   7.084   3.557   2.654
  169   3HD2  LEU  20          3HD2      LEU  20   8.144   3.775   4.046
  170    H    HIS  21           H        HIS  21   1.885   4.123   3.362
  171    HA   HIS  21           HA       HIS  21   1.435   1.667   4.582
  172   1HB   HIS  21          1HB       HIS  21  -0.529   2.663   5.021
  173   2HB   HIS  21          2HB       HIS  21  -0.069   3.991   3.992
  174    HD1  HIS  21           HD1      HIS  21  -2.163   4.517   2.702
  175    HD2  HIS  21           HD2      HIS  21  -1.367   0.462   2.787
  176    HE1  HIS  21           HE1      HIS  21  -3.962   3.393   1.333
  177    H    ILE  22           H        ILE  22   0.625   2.709   1.319
  178    HA   ILE  22           HA       ILE  22  -0.628   0.430   0.430
  179    HB   ILE  22           HB       ILE  22   1.020   2.189  -1.377
  180   1HG1  ILE  22          1HG1      ILE  22  -1.854   2.735  -0.855
  181   2HG1  ILE  22          2HG1      ILE  22  -0.731   3.227   0.388
  182   1HG2  ILE  22          1HG2      ILE  22  -0.310  -0.017  -2.057
  183   2HG2  ILE  22          2HG2      ILE  22  -0.263   1.406  -3.097
  184   3HG2  ILE  22          3HG2      ILE  22  -1.662   1.117  -2.059
  185   1HD1  ILE  22          1HD1      ILE  22   0.355   4.118  -2.021
  186   2HD1  ILE  22          2HD1      ILE  22  -0.399   5.074  -0.746
  187   3HD1  ILE  22          3HD1      ILE  22  -1.369   4.478  -2.089
  188    H    LEU  23           H        LEU  23   2.697   0.681   1.159
  189    HA   LEU  23           HA       LEU  23   3.783  -1.159  -0.674
  190   1HB   LEU  23          1HB       LEU  23   4.538  -0.229   2.064
  191   2HB   LEU  23          2HB       LEU  23   5.354  -1.627   1.393
  192    HG   LEU  23           HG       LEU  23   5.219   0.883  -0.224
  193   1HD1  LEU  23          1HD1      LEU  23   7.404   1.539   0.834
  194   2HD1  LEU  23          2HD1      LEU  23   7.035   0.392   2.123
  195   3HD1  LEU  23          3HD1      LEU  23   5.972   1.769   1.837
  196   1HD2  LEU  23          1HD2      LEU  23   7.332   0.064  -1.087
  197   2HD2  LEU  23          2HD2      LEU  23   6.102  -1.195  -1.199
  198   3HD2  LEU  23          3HD2      LEU  23   7.319  -1.262   0.075
  199    H    LEU  24           H        LEU  24   1.745  -1.550   2.123
  200    HA   LEU  24           HA       LEU  24   2.237  -4.246   2.758
  201   1HB   LEU  24          1HB       LEU  24  -0.469  -2.932   2.928
  202   2HB   LEU  24          2HB       LEU  24   0.153  -4.239   3.913
  203    HG   LEU  24           HG       LEU  24   1.641  -1.691   4.093
  204   1HD1  LEU  24          1HD1      LEU  24  -1.008  -1.918   5.494
  205   2HD1  LEU  24          2HD1      LEU  24  -0.841  -1.089   3.946
  206   3HD1  LEU  24          3HD1      LEU  24   0.051  -0.515   5.355
  207   1HD2  LEU  24          1HD2      LEU  24   1.705  -2.300   6.443
  208   2HD2  LEU  24          2HD2      LEU  24   2.184  -3.671   5.443
  209   3HD2  LEU  24          3HD2      LEU  24   0.570  -3.619   6.151
  210    H    HIS  25           H        HIS  25   0.003  -2.739   0.456
  211    HA   HIS  25           HA       HIS  25  -1.459  -4.935  -0.361
  212   1HB   HIS  25          1HB       HIS  25  -0.566  -2.482  -1.870
  213   2HB   HIS  25          2HB       HIS  25  -1.628  -3.687  -2.588
  214    HD1  HIS  25           HD1      HIS  25  -3.763  -4.209  -0.658
  215    HD2  HIS  25           HD2      HIS  25  -2.037  -0.444  -0.958
  216    HE1  HIS  25           HE1      HIS  25  -5.426  -2.581   0.332
  217    H    GLU  26           H        GLU  26   1.852  -4.124  -1.152
  218    HA   GLU  26           HA       GLU  26   2.346  -5.493  -3.470
  219   1HB   GLU  26          1HB       GLU  26   4.088  -4.232  -2.381
  220   2HB   GLU  26          2HB       GLU  26   4.063  -5.306  -0.990
  221   1HG   GLU  26          1HG       GLU  26   4.625  -6.576  -3.590
  222   2HG   GLU  26          2HG       GLU  26   5.854  -5.469  -2.983
  223    H    ASN  27           H        ASN  27   2.239  -6.877  -0.187
  224    HA   ASN  27           HA       ASN  27   2.887  -9.518  -0.906
  225   1HB   ASN  27          1HB       ASN  27   1.352  -8.375   1.429
  226   2HB   ASN  27          2HB       ASN  27   1.677 -10.098   1.270
  227   1HD2  ASN  27          1HD2      ASN  27   2.673  -9.401   3.434
  228   2HD2  ASN  27          2HD2      ASN  27   4.353  -9.003   3.388
  229    H    LYS  28           H        LYS  28   1.803 -10.871  -2.171
  230    HA   LYS  28           HA       LYS  28  -0.956 -10.396  -2.853
  231   1HB   LYS  28          1HB       LYS  28   1.014 -11.342  -4.329
  232   2HB   LYS  28          2HB       LYS  28   0.497 -12.884  -3.662
  233   1HG   LYS  28          1HG       LYS  28  -1.702 -12.612  -4.581
  234   2HG   LYS  28          2HG       LYS  28  -1.322 -10.971  -5.110
  235   1HD   LYS  28          1HD       LYS  28   0.538 -12.032  -6.500
  236   2HD   LYS  28          2HD       LYS  28  -0.254 -13.575  -6.169
  237   1HE   LYS  28          1HE       LYS  28  -2.362 -12.585  -7.097
  238   2HE   LYS  28          2HE       LYS  28  -1.411 -11.187  -7.597
  239   1HZ   LYS  28          1HZ       LYS  28  -1.668 -12.738  -9.412
  240   2HZ   LYS  28          2HZ       LYS  28  -0.996 -13.989  -8.493
  241   3HZ   LYS  28          3HZ       LYS  28  -0.040 -12.669  -8.949
  242    H    LYS  29           H        LYS  29  -2.276 -10.788  -1.132
  243    HA   LYS  29           HA       LYS  29  -3.566 -11.966   0.317
  244   1HB   LYS  29          1HB       LYS  29  -2.878 -13.828  -1.765
  245   2HB   LYS  29          2HB       LYS  29  -2.981 -14.675  -0.229
  246   1HG   LYS  29          1HG       LYS  29  -5.212 -14.397  -0.070
  247   2HG   LYS  29          2HG       LYS  29  -5.173 -12.792  -0.805
  248   1HD   LYS  29          1HD       LYS  29  -6.068 -13.797  -2.597
  249   2HD   LYS  29          2HD       LYS  29  -4.436 -14.398  -2.893
  250   1HE   LYS  29          1HE       LYS  29  -5.177 -16.312  -1.263
  251   2HE   LYS  29          2HE       LYS  29  -6.799 -15.804  -1.730
  252   1HZ   LYS  29          1HZ       LYS  29  -6.170 -16.146  -4.057
  253   2HZ   LYS  29          2HZ       LYS  29  -6.033 -17.570  -3.155
  254   3HZ   LYS  29          3HZ       LYS  29  -4.644 -16.697  -3.570
  Start of MODEL   25
    1    H    TYR   1           H        TYR   1  -7.851  15.342   4.734
    2    HA   TYR   1           HA       TYR   1  -5.934  13.182   4.192
    3   1HB   TYR   1          1HB       TYR   1  -8.053  11.740   4.439
    4   2HB   TYR   1          2HB       TYR   1  -7.268  12.290   5.912
    5    HD1  TYR   1           HD1      TYR   1 -10.267  12.454   3.862
    6    HD2  TYR   1           HD2      TYR   1  -8.306  14.086   7.267
    7    HE1  TYR   1           HE1      TYR   1 -12.399  13.413   4.623
    8    HE2  TYR   1           HE2      TYR   1 -10.432  15.049   8.037
    9    HH   TYR   1           HH       TYR   1 -12.845  15.704   6.431
   10    H    LYS   2           H        LYS   2  -5.817  14.677   2.233
   11    HA   LYS   2           HA       LYS   2  -8.104  14.598   0.461
   12   1HB   LYS   2          1HB       LYS   2  -5.401  15.854   0.395
   13   2HB   LYS   2          2HB       LYS   2  -6.234  15.595  -1.131
   14   1HG   LYS   2          1HG       LYS   2  -7.192  17.568  -0.762
   15   2HG   LYS   2          2HG       LYS   2  -8.183  16.729   0.433
   16   1HD   LYS   2          1HD       LYS   2  -7.355  18.447   1.709
   17   2HD   LYS   2          2HD       LYS   2  -6.129  17.213   2.003
   18   1HE   LYS   2          1HE       LYS   2  -4.601  18.228   0.539
   19   2HE   LYS   2          2HE       LYS   2  -5.850  19.214  -0.218
   20   1HZ   LYS   2          1HZ       LYS   2  -6.050  20.477   1.826
   21   2HZ   LYS   2          2HZ       LYS   2  -4.454  20.515   1.269
   22   3HZ   LYS   2          3HZ       LYS   2  -4.871  19.519   2.571
   23    H    PHE   3           H        PHE   3  -5.523  12.494   1.149
   24    HA   PHE   3           HA       PHE   3  -5.381  11.380  -1.532
   25   1HB   PHE   3          1HB       PHE   3  -3.804  11.168   0.943
   26   2HB   PHE   3          2HB       PHE   3  -3.976   9.662   0.060
   27    HD1  PHE   3           HD1      PHE   3  -2.874   9.310  -2.024
   28    HD2  PHE   3           HD2      PHE   3  -2.712  13.106  -0.105
   29    HE1  PHE   3           HE1      PHE   3  -1.081  10.007  -3.558
   30    HE2  PHE   3           HE2      PHE   3  -0.919  13.808  -1.636
   31    HZ   PHE   3           HZ       PHE   3  -0.101  12.258  -3.365
   32    H    ALA   4           H        ALA   4  -5.678   9.063  -1.885
   33    HA   ALA   4           HA       ALA   4  -7.303   7.575  -0.016
   34   1HB   ALA   4          1HB       ALA   4  -9.027   8.912  -1.055
   35   2HB   ALA   4          2HB       ALA   4  -9.171   7.240  -1.600
   36   3HB   ALA   4          3HB       ALA   4  -8.457   8.455  -2.661
   37    H    CYS   5           H        CYS   5  -6.674   5.513  -0.127
   38    HA   CYS   5           HA       CYS   5  -4.858   4.591  -2.091
   39   1HB   CYS   5          1HB       CYS   5  -5.128   3.744   0.306
   40   2HB   CYS   5          2HB       CYS   5  -6.489   2.809  -0.286
   41    HG   CYS   5           HG       CYS   5  -4.812   1.103  -0.785
   42    HA   PRO   6           HA       PRO   6  -7.748   3.351  -5.232
   43   1HB   PRO   6          1HB       PRO   6  -6.069   1.928  -6.796
   44   2HB   PRO   6          2HB       PRO   6  -6.008   3.692  -6.701
   45   1HG   PRO   6          1HG       PRO   6  -4.285   1.661  -5.337
   46   2HG   PRO   6          2HG       PRO   6  -3.817   3.182  -6.119
   47   1HD   PRO   6          1HD       PRO   6  -4.099   2.910  -3.421
   48   2HD   PRO   6          2HD       PRO   6  -4.367   4.442  -4.281
   49    H    GLU   7           H        GLU   7  -6.022   1.132  -3.199
   50    HA   GLU   7           HA       GLU   7  -7.605  -1.137  -4.165
   51   1HB   GLU   7          1HB       GLU   7  -4.947  -0.964  -3.489
   52   2HB   GLU   7          2HB       GLU   7  -5.657  -1.656  -2.037
   53   1HG   GLU   7          1HG       GLU   7  -6.739  -2.997  -4.300
   54   2HG   GLU   7          2HG       GLU   7  -4.985  -2.943  -4.462
   55    H    CYS   8           H        CYS   8  -6.951   0.754  -1.227
   56    HA   CYS   8           HA       CYS   8  -9.339  -0.485  -0.021
   57   1HB   CYS   8          1HB       CYS   8  -8.293  -0.518   2.141
   58   2HB   CYS   8          2HB       CYS   8  -7.238  -1.342   1.006
   59    HG   CYS   8           HG       CYS   8  -6.537   1.593   1.581
   60    HA   PRO   9           HA       PRO   9 -10.541   3.653   0.974
   61   1HB   PRO   9          1HB       PRO   9 -12.226   3.258   2.996
   62   2HB   PRO   9          2HB       PRO   9 -12.518   2.526   1.414
   63   1HG   PRO   9          1HG       PRO   9 -11.505   1.278   3.922
   64   2HG   PRO   9          2HG       PRO   9 -12.539   0.587   2.660
   65   1HD   PRO   9          1HD       PRO   9  -9.744   0.242   2.936
   66   2HD   PRO   9          2HD       PRO   9 -10.739  -0.232   1.549
   67    H    LYS  10           H        LYS  10  -7.917   3.342   2.087
   68    HA   LYS  10           HA       LYS  10  -8.130   4.335   4.822
   69   1HB   LYS  10          1HB       LYS  10  -5.613   3.809   3.240
   70   2HB   LYS  10          2HB       LYS  10  -5.734   4.098   4.947
   71   1HG   LYS  10          1HG       LYS  10  -7.220   1.794   3.823
   72   2HG   LYS  10          2HG       LYS  10  -5.469   1.674   4.001
   73   1HD   LYS  10          1HD       LYS  10  -5.698   1.266   6.174
   74   2HD   LYS  10          2HD       LYS  10  -6.554   2.793   6.389
   75   1HE   LYS  10          1HE       LYS  10  -7.959   0.366   5.330
   76   2HE   LYS  10          2HE       LYS  10  -7.737   0.601   7.061
   77   1HZ   LYS  10          1HZ       LYS  10  -9.279   2.269   5.170
   78   2HZ   LYS  10          2HZ       LYS  10  -8.794   2.863   6.677
   79   3HZ   LYS  10          3HZ       LYS  10  -9.814   1.517   6.588
   80    H    ARG  11           H        ARG  11  -7.255   6.297   5.493
   81    HA   ARG  11           HA       ARG  11  -6.657   8.276   3.408
   82   1HB   ARG  11          1HB       ARG  11  -8.445   8.776   5.786
   83   2HB   ARG  11          2HB       ARG  11  -8.015   9.935   4.546
   84   1HG   ARG  11          1HG       ARG  11  -9.732   9.306   3.305
   85   2HG   ARG  11          2HG       ARG  11  -9.155   7.638   3.299
   86   1HD   ARG  11          1HD       ARG  11 -10.620   8.740   5.667
   87   2HD   ARG  11          2HD       ARG  11 -11.505   8.165   4.256
   88    HE   ARG  11           HE       ARG  11  -9.881   6.093   4.789
   89   1HH1  ARG  11          1HH1      ARG  11 -12.026   7.957   6.836
   90   2HH1  ARG  11          2HH1      ARG  11 -12.343   6.638   7.911
   91   1HH2  ARG  11          1HH2      ARG  11 -10.309   4.360   6.202
   92   2HH2  ARG  11          2HH2      ARG  11 -11.369   4.595   7.552
   93    H    PHE  12           H        PHE  12  -5.030   9.672   3.890
   94    HA   PHE  12           HA       PHE  12  -3.982   9.693   6.636
   95   1HB   PHE  12          1HB       PHE  12  -2.274   9.338   4.195
   96   2HB   PHE  12          2HB       PHE  12  -1.700   9.405   5.846
   97    HD1  PHE  12           HD1      PHE  12  -4.278   7.485   3.940
   98    HD2  PHE  12           HD2      PHE  12  -1.046   7.370   6.702
   99    HE1  PHE  12           HE1      PHE  12  -4.490   5.059   4.069
  100    HE2  PHE  12           HE2      PHE  12  -1.260   4.918   6.837
  101    HZ   PHE  12           HZ       PHE  12  -2.988   3.762   5.502
  102    H    MET  13           H        MET  13  -2.607  11.486   7.151
  103    HA   MET  13           HA       MET  13  -3.481  13.924   5.898
  104   1HB   MET  13          1HB       MET  13  -1.518  13.428   8.144
  105   2HB   MET  13          2HB       MET  13  -2.057  15.019   7.624
  106   1HG   MET  13          1HG       MET  13  -4.325  14.508   8.264
  107   2HG   MET  13          2HG       MET  13  -3.868  12.856   8.676
  108   1HE   MET  13          1HE       MET  13  -2.019  13.086  11.956
  109   2HE   MET  13          2HE       MET  13  -1.152  13.101  10.419
  110   3HE   MET  13          3HE       MET  13  -2.598  12.109  10.606
  111    H    ARG  14           H        ARG  14  -0.571  11.953   5.857
  112    HA   ARG  14           HA       ARG  14   0.835  13.981   4.273
  113   1HB   ARG  14          1HB       ARG  14   1.698  11.599   5.853
  114   2HB   ARG  14          2HB       ARG  14   2.697  12.110   4.501
  115   1HG   ARG  14          1HG       ARG  14   2.913  14.333   5.489
  116   2HG   ARG  14          2HG       ARG  14   1.908  13.824   6.848
  117   1HD   ARG  14          1HD       ARG  14   4.234  13.716   7.483
  118   2HD   ARG  14          2HD       ARG  14   3.571  12.082   7.387
  119    HE   ARG  14           HE       ARG  14   4.656  12.422   4.942
  120   1HH1  ARG  14          1HH1      ARG  14   5.940  12.920   8.163
  121   2HH1  ARG  14          2HH1      ARG  14   7.567  12.544   7.703
  122   1HH2  ARG  14          1HH2      ARG  14   6.798  11.927   4.346
  123   2HH2  ARG  14          2HH2      ARG  14   8.054  11.982   5.538
  124    H    SER  15           H        SER  15   2.111  13.194   2.403
  125    HA   SER  15           HA       SER  15   0.447  11.469   0.728
  126   1HB   SER  15          1HB       SER  15   1.112  12.668  -1.032
  127   2HB   SER  15          2HB       SER  15   1.538  13.871   0.180
  128    HG   SER  15           HG       SER  15   3.640  13.361  -0.028
  129    H    ASP  16           H        ASP  16   3.766  11.760   1.910
  130    HA   ASP  16           HA       ASP  16   4.730   9.457   0.523
  131   1HB   ASP  16          1HB       ASP  16   6.137  10.360   2.949
  132   2HB   ASP  16          2HB       ASP  16   6.776   9.963   1.369
  133    H    HIS  17           H        HIS  17   3.753  10.117   3.869
  134    HA   HIS  17           HA       HIS  17   4.282   7.560   4.909
  135   1HB   HIS  17          1HB       HIS  17   2.554   9.856   5.732
  136   2HB   HIS  17          2HB       HIS  17   2.326   8.306   6.528
  137    HD1  HIS  17           HD1      HIS  17   3.158   9.870   8.622
  138    HD2  HIS  17           HD2      HIS  17   6.008   8.793   5.796
  139    HE1  HIS  17           HE1      HIS  17   5.379  10.251   9.730
  140    HE2  HIS  17           HE2      HIS  17   7.091   9.663   7.978
  141    H    LEU  18           H        LEU  18   1.351   8.917   3.418
  142    HA   LEU  18           HA       LEU  18  -0.334   6.716   3.843
  143   1HB   LEU  18          1HB       LEU  18  -0.982   9.002   3.017
  144   2HB   LEU  18          2HB       LEU  18  -0.379   8.540   1.446
  145    HG   LEU  18           HG       LEU  18  -2.434   6.834   2.767
  146   1HD1  LEU  18          1HD1      LEU  18  -3.587   8.799   3.021
  147   2HD1  LEU  18          2HD1      LEU  18  -4.075   8.318   1.400
  148   3HD1  LEU  18          3HD1      LEU  18  -2.828   9.550   1.623
  149   1HD2  LEU  18          1HD2      LEU  18  -3.039   7.041   0.128
  150   2HD2  LEU  18          2HD2      LEU  18  -2.028   5.782   0.842
  151   3HD2  LEU  18          3HD2      LEU  18  -1.282   7.203   0.107
  152    H    THR  19           H        THR  19   1.776   7.545   1.100
  153    HA   THR  19           HA       THR  19   1.181   5.297  -0.451
  154    HB   THR  19           HB       THR  19   3.750   6.901  -0.351
  155    HG1  THR  19           HG1      THR  19   2.389   8.343  -1.077
  156   1HG2  THR  19          1HG2      THR  19   2.713   4.994  -2.426
  157   2HG2  THR  19          2HG2      THR  19   4.252   4.938  -1.567
  158   3HG2  THR  19          3HG2      THR  19   3.950   6.209  -2.750
  159    H    LEU  20           H        LEU  20   3.380   5.794   2.238
  160    HA   LEU  20           HA       LEU  20   4.964   3.492   2.016
  161   1HB   LEU  20          1HB       LEU  20   5.052   5.530   3.666
  162   2HB   LEU  20          2HB       LEU  20   4.031   4.528   4.675
  163    HG   LEU  20           HG       LEU  20   6.319   4.310   5.377
  164   1HD1  LEU  20          1HD1      LEU  20   5.790   1.764   3.899
  165   2HD1  LEU  20          2HD1      LEU  20   4.748   2.278   5.227
  166   3HD1  LEU  20          3HD1      LEU  20   6.466   2.000   5.511
  167   1HD2  LEU  20          1HD2      LEU  20   8.090   3.548   3.951
  168   2HD2  LEU  20          2HD2      LEU  20   7.329   4.951   3.199
  169   3HD2  LEU  20          3HD2      LEU  20   6.972   3.330   2.604
  170    H    HIS  21           H        HIS  21   1.814   4.052   3.516
  171    HA   HIS  21           HA       HIS  21   1.378   1.553   4.668
  172   1HB   HIS  21          1HB       HIS  21  -0.549   2.557   5.250
  173   2HB   HIS  21          2HB       HIS  21  -0.083   3.941   4.302
  174    HD1  HIS  21           HD1      HIS  21  -2.128   4.643   3.032
  175    HD2  HIS  21           HD2      HIS  21  -1.632   0.535   3.022
  176    HE1  HIS  21           HE1      HIS  21  -4.035   3.683   1.678
  177    H    ILE  22           H        ILE  22   0.396   2.758   1.505
  178    HA   ILE  22           HA       ILE  22  -0.925   0.527   0.589
  179    HB   ILE  22           HB       ILE  22   0.649   2.348  -1.223
  180   1HG1  ILE  22          1HG1      ILE  22  -2.191   2.900  -0.544
  181   2HG1  ILE  22          2HG1      ILE  22  -1.006   3.325   0.667
  182   1HG2  ILE  22          1HG2      ILE  22  -0.622   0.219  -2.026
  183   2HG2  ILE  22          2HG2      ILE  22  -0.835   1.737  -2.896
  184   3HG2  ILE  22          3HG2      ILE  22  -2.062   1.201  -1.746
  185   1HD1  ILE  22          1HD1      ILE  22  -1.736   4.688  -1.726
  186   2HD1  ILE  22          2HD1      ILE  22  -0.014   4.311  -1.742
  187   3HD1  ILE  22          3HD1      ILE  22  -0.709   5.218  -0.398
  188    H    LEU  23           H        LEU  23   2.444   0.733   1.139
  189    HA   LEU  23           HA       LEU  23   3.473  -0.949  -0.831
  190   1HB   LEU  23          1HB       LEU  23   4.443   0.237   1.484
  191   2HB   LEU  23          2HB       LEU  23   4.619  -1.479   1.774
  192    HG   LEU  23           HG       LEU  23   5.623  -0.285  -0.782
  193   1HD1  LEU  23          1HD1      LEU  23   7.801   0.063   0.258
  194   2HD1  LEU  23          2HD1      LEU  23   7.129  -0.372   1.830
  195   3HD1  LEU  23          3HD1      LEU  23   6.571   1.084   1.005
  196   1HD2  LEU  23          1HD2      LEU  23   5.555  -2.688  -0.671
  197   2HD2  LEU  23          2HD2      LEU  23   6.394  -2.679   0.881
  198   3HD2  LEU  23          3HD2      LEU  23   7.234  -2.157  -0.578
  199    H    LEU  24           H        LEU  24   1.613  -1.699   2.082
  200    HA   LEU  24           HA       LEU  24   2.097  -4.433   2.291
  201   1HB   LEU  24          1HB       LEU  24  -0.328  -4.557   3.143
  202   2HB   LEU  24          2HB       LEU  24   0.831  -3.599   4.037
  203    HG   LEU  24           HG       LEU  24  -0.269  -1.736   2.344
  204   1HD1  LEU  24          1HD1      LEU  24  -2.643  -1.968   2.384
  205   2HD1  LEU  24          2HD1      LEU  24  -2.529  -3.480   3.289
  206   3HD1  LEU  24          3HD1      LEU  24  -1.957  -3.405   1.622
  207   1HD2  LEU  24          1HD2      LEU  24   0.229  -1.604   4.785
  208   2HD2  LEU  24          2HD2      LEU  24  -1.298  -2.435   5.085
  209   3HD2  LEU  24          3HD2      LEU  24  -1.293  -0.851   4.310
  210    H    HIS  25           H        HIS  25  -0.226  -2.744   0.204
  211    HA   HIS  25           HA       HIS  25  -1.488  -5.019  -0.863
  212   1HB   HIS  25          1HB       HIS  25  -1.042  -2.345  -2.209
  213   2HB   HIS  25          2HB       HIS  25  -2.230  -3.554  -2.681
  214    HD1  HIS  25           HD1      HIS  25  -4.059  -4.078  -0.624
  215    HD2  HIS  25           HD2      HIS  25  -2.015  -0.464  -0.587
  216    HE1  HIS  25           HE1      HIS  25  -5.394  -2.521   0.859
  217    H    GLU  26           H        GLU  26   1.281  -3.126  -2.055
  218    HA   GLU  26           HA       GLU  26   1.778  -5.114  -4.134
  219   1HB   GLU  26          1HB       GLU  26   2.950  -2.398  -3.546
  220   2HB   GLU  26          2HB       GLU  26   3.647  -3.475  -4.748
  221   1HG   GLU  26          1HG       GLU  26   0.752  -2.727  -4.849
  222   2HG   GLU  26          2HG       GLU  26   1.992  -1.663  -5.509
  223    H    ASN  27           H        ASN  27   2.178  -6.602  -2.175
  224    HA   ASN  27           HA       ASN  27   5.011  -7.016  -1.993
  225   1HB   ASN  27          1HB       ASN  27   4.448  -5.318  -0.158
  226   2HB   ASN  27          2HB       ASN  27   3.586  -6.631   0.637
  227   1HD2  ASN  27          1HD2      ASN  27   6.660  -5.297  -0.167
  228   2HD2  ASN  27          2HD2      ASN  27   7.621  -6.413   0.737
  229    H    LYS  28           H        LYS  28   5.299  -9.132  -2.165
  230    HA   LYS  28           HA       LYS  28   3.556 -10.971  -0.724
  231   1HB   LYS  28          1HB       LYS  28   3.421 -10.538  -3.585
  232   2HB   LYS  28          2HB       LYS  28   3.874 -12.199  -3.228
  233   1HG   LYS  28          1HG       LYS  28   1.836 -12.722  -2.479
  234   2HG   LYS  28          2HG       LYS  28   1.661 -11.201  -1.600
  235   1HD   LYS  28          1HD       LYS  28   0.908 -10.059  -3.515
  236   2HD   LYS  28          2HD       LYS  28   1.457 -11.342  -4.596
  237   1HE   LYS  28          1HE       LYS  28  -0.852 -11.647  -4.506
  238   2HE   LYS  28          2HE       LYS  28  -0.229 -12.832  -3.360
  239   1HZ   LYS  28          1HZ       LYS  28  -1.300 -10.157  -2.635
  240   2HZ   LYS  28          2HZ       LYS  28  -0.757 -11.338  -1.553
  241   3HZ   LYS  28          3HZ       LYS  28  -2.141 -11.618  -2.484
  242    H    LYS  29           H        LYS  29   5.846 -10.701   0.298
  243    HA   LYS  29           HA       LYS  29   7.311 -13.102  -0.376
  244   1HB   LYS  29          1HB       LYS  29   9.513 -11.846  -0.414
  245   2HB   LYS  29          2HB       LYS  29   8.498 -11.668  -1.837
  246   1HG   LYS  29          1HG       LYS  29   7.648  -9.527  -0.580
  247   2HG   LYS  29          2HG       LYS  29   9.191  -9.676   0.263
  248   1HD   LYS  29          1HD       LYS  29   9.403  -9.983  -2.638
  249   2HD   LYS  29          2HD       LYS  29   8.800  -8.403  -2.136
  250   1HE   LYS  29          1HE       LYS  29  11.201  -9.579  -0.797
  251   2HE   LYS  29          2HE       LYS  29  11.365  -8.807  -2.374
  252   1HZ   LYS  29          1HZ       LYS  29  11.786  -7.264  -0.553
  253   2HZ   LYS  29          2HZ       LYS  29  10.229  -7.522   0.053
  254   3HZ   LYS  29          3HZ       LYS  29  10.437  -6.784  -1.455
  Start of MODEL   26
    1    H    TYR   1           H        TYR   1  -6.255  12.585   6.202
    2    HA   TYR   1           HA       TYR   1  -7.641  11.275   5.020
    3   1HB   TYR   1          1HB       TYR   1 -10.016  11.623   4.817
    4   2HB   TYR   1          2HB       TYR   1  -9.588  11.814   6.511
    5    HD1  TYR   1           HD1      TYR   1 -11.339  13.230   3.795
    6    HD2  TYR   1           HD2      TYR   1  -9.155  14.288   7.291
    7    HE1  TYR   1           HE1      TYR   1 -12.439  15.428   3.812
    8    HE2  TYR   1           HE2      TYR   1 -10.250  16.489   7.316
    9    HH   TYR   1           HH       TYR   1 -11.546  17.926   5.001
   10    H    LYS   2           H        LYS   2  -5.889  13.434   4.293
   11    HA   LYS   2           HA       LYS   2  -6.999  15.095   2.297
   12   1HB   LYS   2          1HB       LYS   2  -4.188  14.195   2.883
   13   2HB   LYS   2          2HB       LYS   2  -4.555  15.242   1.520
   14   1HG   LYS   2          1HG       LYS   2  -5.755  16.220   3.962
   15   2HG   LYS   2          2HG       LYS   2  -4.010  16.020   4.124
   16   1HD   LYS   2          1HD       LYS   2  -3.585  17.764   2.789
   17   2HD   LYS   2          2HD       LYS   2  -4.771  17.239   1.593
   18   1HE   LYS   2          1HE       LYS   2  -5.615  19.281   2.320
   19   2HE   LYS   2          2HE       LYS   2  -6.525  18.106   3.268
   20   1HZ   LYS   2          1HZ       LYS   2  -5.066  18.497   5.132
   21   2HZ   LYS   2          2HZ       LYS   2  -5.720  19.967   4.611
   22   3HZ   LYS   2          3HZ       LYS   2  -4.123  19.570   4.224
   23    H    PHE   3           H        PHE   3  -5.146  12.051   2.020
   24    HA   PHE   3           HA       PHE   3  -6.030  11.842  -0.771
   25   1HB   PHE   3          1HB       PHE   3  -3.618  10.982   0.719
   26   2HB   PHE   3          2HB       PHE   3  -4.195   9.890  -0.523
   27    HD1  PHE   3           HD1      PHE   3  -2.175  12.674   0.146
   28    HD2  PHE   3           HD2      PHE   3  -4.698  11.005  -2.848
   29    HE1  PHE   3           HE1      PHE   3  -1.052  14.046  -1.560
   30    HE2  PHE   3           HE2      PHE   3  -3.578  12.373  -4.559
   31    HZ   PHE   3           HZ       PHE   3  -1.753  13.896  -3.916
   32    H    ALA   4           H        ALA   4  -6.063   9.380  -1.441
   33    HA   ALA   4           HA       ALA   4  -7.269   7.637   0.535
   34   1HB   ALA   4          1HB       ALA   4  -8.841   8.537  -1.879
   35   2HB   ALA   4          2HB       ALA   4  -9.187   8.958  -0.201
   36   3HB   ALA   4          3HB       ALA   4  -9.329   7.284  -0.739
   37    H    CYS   5           H        CYS   5  -6.799   5.539   0.106
   38    HA   CYS   5           HA       CYS   5  -5.050   4.905  -2.032
   39   1HB   CYS   5          1HB       CYS   5  -5.259   3.755   0.272
   40   2HB   CYS   5          2HB       CYS   5  -6.560   2.831  -0.465
   41    HG   CYS   5           HG       CYS   5  -4.665   1.341  -1.020
   42    HA   PRO   6           HA       PRO   6  -8.020   3.957  -5.192
   43   1HB   PRO   6          1HB       PRO   6  -6.377   2.732  -6.944
   44   2HB   PRO   6          2HB       PRO   6  -6.312   4.474  -6.655
   45   1HG   PRO   6          1HG       PRO   6  -4.559   2.307  -5.565
   46   2HG   PRO   6          2HG       PRO   6  -4.105   3.904  -6.189
   47   1HD   PRO   6          1HD       PRO   6  -4.326   3.339  -3.532
   48   2HD   PRO   6          2HD       PRO   6  -4.606   4.956  -4.212
   49    H    GLU   7           H        GLU   7  -6.175   1.549  -3.487
   50    HA   GLU   7           HA       GLU   7  -7.781  -0.627  -4.615
   51   1HB   GLU   7          1HB       GLU   7  -5.118  -0.527  -4.142
   52   2HB   GLU   7          2HB       GLU   7  -5.671  -1.231  -2.630
   53   1HG   GLU   7          1HG       GLU   7  -6.856  -2.466  -4.993
   54   2HG   GLU   7          2HG       GLU   7  -5.101  -2.605  -4.921
   55    H    CYS   8           H        CYS   8  -6.801   0.708  -1.443
   56    HA   CYS   8           HA       CYS   8  -9.108  -0.687  -0.246
   57   1HB   CYS   8          1HB       CYS   8  -7.949  -0.709   1.842
   58   2HB   CYS   8          2HB       CYS   8  -6.833  -1.288   0.619
   59    HG   CYS   8           HG       CYS   8  -6.570   1.675   1.415
   60    HA   PRO   9           HA       PRO   9 -10.765   3.211   1.003
   61   1HB   PRO   9          1HB       PRO   9 -12.153   2.566   3.193
   62   2HB   PRO   9          2HB       PRO   9 -12.537   1.859   1.621
   63   1HG   PRO   9          1HG       PRO   9 -11.136   0.651   3.947
   64   2HG   PRO   9          2HG       PRO   9 -12.192  -0.113   2.748
   65   1HD   PRO   9          1HD       PRO   9  -9.364  -0.114   2.766
   66   2HD   PRO   9          2HD       PRO   9 -10.414  -0.667   1.452
   67    H    LYS  10           H        LYS  10  -8.023   3.171   1.821
   68    HA   LYS  10           HA       LYS  10  -8.036   4.147   4.571
   69   1HB   LYS  10          1HB       LYS  10  -5.757   3.624   2.656
   70   2HB   LYS  10          2HB       LYS  10  -5.552   4.280   4.255
   71   1HG   LYS  10          1HG       LYS  10  -7.038   1.731   4.000
   72   2HG   LYS  10          2HG       LYS  10  -5.288   1.710   3.771
   73   1HD   LYS  10          1HD       LYS  10  -4.999   2.785   5.959
   74   2HD   LYS  10          2HD       LYS  10  -6.750   2.779   6.186
   75   1HE   LYS  10          1HE       LYS  10  -6.827   0.423   6.301
   76   2HE   LYS  10          2HE       LYS  10  -5.185   0.263   5.678
   77   1HZ   LYS  10          1HZ       LYS  10  -5.299  -0.125   8.068
   78   2HZ   LYS  10          2HZ       LYS  10  -5.909   1.433   8.311
   79   3HZ   LYS  10          3HZ       LYS  10  -4.340   1.223   7.716
   80    H    ARG  11           H        ARG  11  -6.883   6.164   5.066
   81    HA   ARG  11           HA       ARG  11  -6.769   8.160   2.954
   82   1HB   ARG  11          1HB       ARG  11  -8.203   9.743   4.268
   83   2HB   ARG  11          2HB       ARG  11  -9.070   8.386   3.567
   84   1HG   ARG  11          1HG       ARG  11  -9.075   7.258   5.730
   85   2HG   ARG  11          2HG       ARG  11  -8.189   8.611   6.439
   86   1HD   ARG  11          1HD       ARG  11 -10.014   9.933   6.525
   87   2HD   ARG  11          2HD       ARG  11 -10.655   9.328   4.999
   88    HE   ARG  11           HE       ARG  11 -10.916   7.286   6.866
   89   1HH1  ARG  11          1HH1      ARG  11 -12.154  10.522   6.370
   90   2HH1  ARG  11          2HH1      ARG  11 -13.647  10.211   7.188
   91   1HH2  ARG  11          1HH2      ARG  11 -12.887   6.879   7.943
   92   2HH2  ARG  11          2HH2      ARG  11 -14.064   8.143   8.082
   93    H    PHE  12           H        PHE  12  -5.143   9.577   3.289
   94    HA   PHE  12           HA       PHE  12  -4.112   9.909   6.019
   95   1HB   PHE  12          1HB       PHE  12  -2.301   9.444   3.681
   96   2HB   PHE  12          2HB       PHE  12  -1.855   9.498   5.371
   97    HD1  PHE  12           HD1      PHE  12  -4.169   7.606   3.147
   98    HD2  PHE  12           HD2      PHE  12  -1.405   7.467   6.376
   99    HE1  PHE  12           HE1      PHE  12  -4.412   5.176   3.236
  100    HE2  PHE  12           HE2      PHE  12  -1.650   5.017   6.476
  101    HZ   PHE  12           HZ       PHE  12  -3.157   3.869   4.891
  102    H    MET  13           H        MET  13  -3.141  11.858   6.475
  103    HA   MET  13           HA       MET  13  -3.860  14.055   4.778
  104   1HB   MET  13          1HB       MET  13  -2.421  13.832   7.412
  105   2HB   MET  13          2HB       MET  13  -2.545  15.368   6.565
  106   1HG   MET  13          1HG       MET  13  -5.127  14.580   6.536
  107   2HG   MET  13          2HG       MET  13  -4.578  13.850   8.042
  108   1HE   MET  13          1HE       MET  13  -3.561  16.820  10.237
  109   2HE   MET  13          2HE       MET  13  -2.564  15.660   9.360
  110   3HE   MET  13          3HE       MET  13  -4.023  15.119  10.190
  111    H    ARG  14           H        ARG  14  -0.999  12.144   5.295
  112    HA   ARG  14           HA       ARG  14   0.657  14.046   3.800
  113   1HB   ARG  14          1HB       ARG  14   1.361  11.564   5.371
  114   2HB   ARG  14          2HB       ARG  14   2.528  12.488   4.442
  115   1HG   ARG  14          1HG       ARG  14   2.848  13.351   6.536
  116   2HG   ARG  14          2HG       ARG  14   1.665  14.486   5.884
  117   1HD   ARG  14          1HD       ARG  14   0.136  13.911   7.403
  118   2HD   ARG  14          2HD       ARG  14   0.405  12.188   7.131
  119    HE   ARG  14           HE       ARG  14   2.562  12.999   8.600
  120   1HH1  ARG  14          1HH1      ARG  14  -0.908  13.129   9.048
  121   2HH1  ARG  14          2HH1      ARG  14  -0.811  13.043  10.774
  122   1HH2  ARG  14          1HH2      ARG  14   2.684  12.885  10.872
  123   2HH2  ARG  14          2HH2      ARG  14   1.228  12.904  11.811
  124    H    SER  15           H        SER  15   1.963  13.293   2.031
  125    HA   SER  15           HA       SER  15   0.542  11.364   0.373
  126   1HB   SER  15          1HB       SER  15   1.134  12.656  -1.315
  127   2HB   SER  15          2HB       SER  15   1.837  13.781  -0.159
  128    HG   SER  15           HG       SER  15   3.798  13.071  -0.636
  129    H    ASP  16           H        ASP  16   3.801  11.923   1.648
  130    HA   ASP  16           HA       ASP  16   4.953   9.570   0.556
  131   1HB   ASP  16          1HB       ASP  16   6.607  10.018   2.610
  132   2HB   ASP  16          2HB       ASP  16   6.651  10.988   1.146
  133    H    HIS  17           H        HIS  17   3.649  10.329   3.776
  134    HA   HIS  17           HA       HIS  17   4.167   7.833   4.961
  135   1HB   HIS  17          1HB       HIS  17   2.081   9.938   5.534
  136   2HB   HIS  17          2HB       HIS  17   2.265   8.488   6.509
  137    HD1  HIS  17           HD1      HIS  17   2.715  10.472   8.357
  138    HD2  HIS  17           HD2      HIS  17   5.697   9.757   5.552
  139    HE1  HIS  17           HE1      HIS  17   4.796  11.503   9.312
  140    HE2  HIS  17           HE2      HIS  17   6.571  11.126   7.564
  141    H    LEU  18           H        LEU  18   1.327   9.048   3.205
  142    HA   LEU  18           HA       LEU  18  -0.345   6.840   3.546
  143   1HB   LEU  18          1HB       LEU  18  -0.961   9.052   2.574
  144   2HB   LEU  18          2HB       LEU  18  -0.140   8.594   1.105
  145    HG   LEU  18           HG       LEU  18  -2.333   6.875   2.177
  146   1HD1  LEU  18          1HD1      LEU  18  -3.933   8.160   0.833
  147   2HD1  LEU  18          2HD1      LEU  18  -2.675   9.355   0.516
  148   3HD1  LEU  18          3HD1      LEU  18  -3.260   9.109   2.160
  149   1HD2  LEU  18          1HD2      LEU  18  -1.694   5.741   0.377
  150   2HD2  LEU  18          2HD2      LEU  18  -0.767   7.102  -0.260
  151   3HD2  LEU  18          3HD2      LEU  18  -2.505   7.008  -0.550
  152    H    THR  19           H        THR  19   2.019   7.557   0.980
  153    HA   THR  19           HA       THR  19   1.570   5.245  -0.519
  154    HB   THR  19           HB       THR  19   4.138   6.829  -0.258
  155    HG1  THR  19           HG1      THR  19   1.893   7.120  -1.960
  156   1HG2  THR  19          1HG2      THR  19   4.675   4.813  -1.383
  157   2HG2  THR  19          2HG2      THR  19   4.524   6.074  -2.606
  158   3HG2  THR  19          3HG2      THR  19   3.222   4.908  -2.378
  159    H    LEU  20           H        LEU  20   3.510   5.830   2.351
  160    HA   LEU  20           HA       LEU  20   5.115   3.534   2.336
  161   1HB   LEU  20          1HB       LEU  20   5.213   5.527   3.916
  162   2HB   LEU  20          2HB       LEU  20   3.885   4.796   4.792
  163    HG   LEU  20           HG       LEU  20   6.097   4.398   5.825
  164   1HD1  LEU  20          1HD1      LEU  20   5.536   2.337   6.580
  165   2HD1  LEU  20          2HD1      LEU  20   5.208   1.708   4.965
  166   3HD1  LEU  20          3HD1      LEU  20   4.028   2.746   5.764
  167   1HD2  LEU  20          1HD2      LEU  20   7.319   4.235   3.635
  168   2HD2  LEU  20          2HD2      LEU  20   6.663   2.606   3.477
  169   3HD2  LEU  20          3HD2      LEU  20   7.731   3.000   4.824
  170    H    HIS  21           H        HIS  21   1.828   4.090   3.501
  171    HA   HIS  21           HA       HIS  21   1.291   1.617   4.663
  172   1HB   HIS  21          1HB       HIS  21  -0.691   2.616   5.015
  173   2HB   HIS  21          2HB       HIS  21  -0.125   3.985   4.100
  174    HD1  HIS  21           HD1      HIS  21  -1.983   4.665   2.573
  175    HD2  HIS  21           HD2      HIS  21  -1.563   0.555   2.752
  176    HE1  HIS  21           HE1      HIS  21  -3.752   3.688   1.056
  177    H    ILE  22           H        ILE  22   0.635   2.726   1.380
  178    HA   ILE  22           HA       ILE  22  -0.609   0.483   0.404
  179    HB   ILE  22           HB       ILE  22   1.166   2.235  -1.287
  180   1HG1  ILE  22          1HG1      ILE  22  -1.734   2.790  -0.922
  181   2HG1  ILE  22          2HG1      ILE  22  -0.667   3.277   0.375
  182   1HG2  ILE  22          1HG2      ILE  22  -0.201   0.036  -2.038
  183   2HG2  ILE  22          2HG2      ILE  22   0.053   1.426  -3.091
  184   3HG2  ILE  22          3HG2      ILE  22  -1.464   1.256  -2.204
  185   1HD1  ILE  22          1HD1      ILE  22   0.545   4.170  -1.965
  186   2HD1  ILE  22          2HD1      ILE  22  -0.295   5.129  -0.746
  187   3HD1  ILE  22          3HD1      ILE  22  -1.173   4.519  -2.147
  188    H    LEU  23           H        LEU  23   2.667   0.609   1.336
  189    HA   LEU  23           HA       LEU  23   3.863  -1.142  -0.482
  190   1HB   LEU  23          1HB       LEU  23   4.388  -0.266   2.275
  191   2HB   LEU  23          2HB       LEU  23   5.010  -1.860   1.898
  192    HG   LEU  23           HG       LEU  23   5.719  -0.117  -0.242
  193   1HD1  LEU  23          1HD1      LEU  23   5.447   1.754   1.243
  194   2HD1  LEU  23          2HD1      LEU  23   7.169   1.454   1.006
  195   3HD1  LEU  23          3HD1      LEU  23   6.382   0.944   2.499
  196   1HD2  LEU  23          1HD2      LEU  23   6.796  -2.241   0.874
  197   2HD2  LEU  23          2HD2      LEU  23   7.666  -1.031   1.816
  198   3HD2  LEU  23          3HD2      LEU  23   7.794  -1.037   0.058
  199    H    LEU  24           H        LEU  24   1.688  -1.736   2.239
  200    HA   LEU  24           HA       LEU  24   2.009  -4.504   2.503
  201   1HB   LEU  24          1HB       LEU  24  -0.398  -4.483   3.301
  202   2HB   LEU  24          2HB       LEU  24   0.738  -3.470   4.168
  203    HG   LEU  24           HG       LEU  24  -0.259  -1.706   2.338
  204   1HD1  LEU  24          1HD1      LEU  24  -2.605  -1.928   2.152
  205   2HD1  LEU  24          2HD1      LEU  24  -2.624  -3.330   3.226
  206   3HD1  LEU  24          3HD1      LEU  24  -1.906  -3.459   1.621
  207   1HD2  LEU  24          1HD2      LEU  24  -1.571  -2.216   4.988
  208   2HD2  LEU  24          2HD2      LEU  24  -1.298  -0.675   4.175
  209   3HD2  LEU  24          3HD2      LEU  24   0.064  -1.569   4.852
  210    H    HIS  25           H        HIS  25   0.068  -2.655   0.206
  211    HA   HIS  25           HA       HIS  25  -1.479  -4.729  -0.846
  212   1HB   HIS  25          1HB       HIS  25  -0.499  -2.144  -2.040
  213   2HB   HIS  25          2HB       HIS  25  -1.546  -3.245  -2.928
  214    HD1  HIS  25           HD1      HIS  25  -3.819  -3.906  -1.317
  215    HD2  HIS  25           HD2      HIS  25  -1.911  -0.252  -0.787
  216    HE1  HIS  25           HE1      HIS  25  -5.482  -2.395  -0.159
  217    H    GLU  26           H        GLU  26   1.892  -4.007  -1.351
  218    HA   GLU  26           HA       GLU  26   2.371  -5.116  -3.838
  219   1HB   GLU  26          1HB       GLU  26   4.621  -5.178  -3.275
  220   2HB   GLU  26          2HB       GLU  26   3.992  -3.958  -2.179
  221   1HG   GLU  26          1HG       GLU  26   3.868  -5.683  -0.406
  222   2HG   GLU  26          2HG       GLU  26   4.619  -6.827  -1.515
  223    H    ASN  27           H        ASN  27   1.853  -6.764  -0.760
  224    HA   ASN  27           HA       ASN  27   2.618  -9.350  -1.675
  225   1HB   ASN  27          1HB       ASN  27   2.416  -8.525   0.755
  226   2HB   ASN  27          2HB       ASN  27   0.690  -8.829   0.584
  227   1HD2  ASN  27          1HD2      ASN  27  -0.034 -10.968   0.289
  228   2HD2  ASN  27          2HD2      ASN  27   0.953 -12.316   0.726
  229    H    LYS  28           H        LYS  28   1.474 -10.889  -2.708
  230    HA   LYS  28           HA       LYS  28  -1.426 -10.557  -2.991
  231   1HB   LYS  28          1HB       LYS  28   0.314  -9.856  -5.015
  232   2HB   LYS  28          2HB       LYS  28  -0.149 -11.496  -5.449
  233   1HG   LYS  28          1HG       LYS  28  -1.719 -10.196  -6.538
  234   2HG   LYS  28          2HG       LYS  28  -2.563 -10.686  -5.068
  235   1HD   LYS  28          1HD       LYS  28  -1.061  -8.230  -4.693
  236   2HD   LYS  28          2HD       LYS  28  -2.232  -8.094  -6.007
  237   1HE   LYS  28          1HE       LYS  28  -3.977  -8.965  -4.466
  238   2HE   LYS  28          2HE       LYS  28  -2.789  -8.937  -3.164
  239   1HZ   LYS  28          1HZ       LYS  28  -3.712  -6.577  -4.716
  240   2HZ   LYS  28          2HZ       LYS  28  -2.568  -6.546  -3.469
  241   3HZ   LYS  28          3HZ       LYS  28  -4.173  -6.963  -3.134
  242    H    LYS  29           H        LYS  29  -2.559 -12.478  -3.617
  243    HA   LYS  29           HA       LYS  29  -1.118 -14.927  -2.854
  244   1HB   LYS  29          1HB       LYS  29  -3.326 -15.860  -2.290
  245   2HB   LYS  29          2HB       LYS  29  -2.978 -14.397  -1.382
  246   1HG   LYS  29          1HG       LYS  29  -5.056 -13.814  -1.974
  247   2HG   LYS  29          2HG       LYS  29  -4.305 -13.366  -3.506
  248   1HD   LYS  29          1HD       LYS  29  -5.174 -15.156  -4.613
  249   2HD   LYS  29          2HD       LYS  29  -5.134 -16.194  -3.187
  250   1HE   LYS  29          1HE       LYS  29  -6.982 -13.961  -2.908
  251   2HE   LYS  29          2HE       LYS  29  -7.372 -15.000  -4.278
  252   1HZ   LYS  29          1HZ       LYS  29  -8.463 -15.709  -2.221
  253   2HZ   LYS  29          2HZ       LYS  29  -6.956 -15.946  -1.493
  254   3HZ   LYS  29          3HZ       LYS  29  -7.415 -16.898  -2.813
  Start of MODEL   27
    1    H    TYR   1           H        TYR   1  -8.756  16.314   4.086
    2    HA   TYR   1           HA       TYR   1  -6.204  14.917   3.678
    3   1HB   TYR   1          1HB       TYR   1  -8.823  14.004   4.891
    4   2HB   TYR   1          2HB       TYR   1  -7.280  13.160   4.938
    5    HD1  TYR   1           HD1      TYR   1  -5.397  14.147   6.298
    6    HD2  TYR   1           HD2      TYR   1  -9.387  15.608   6.527
    7    HE1  TYR   1           HE1      TYR   1  -4.872  15.232   8.441
    8    HE2  TYR   1           HE2      TYR   1  -8.872  16.697   8.670
    9    HH   TYR   1           HH       TYR   1  -6.901  16.113  10.606
   10    H    LYS   2           H        LYS   2  -6.496  15.292   1.324
   11    HA   LYS   2           HA       LYS   2  -8.660  13.756   0.095
   12   1HB   LYS   2          1HB       LYS   2  -6.562  15.529  -1.171
   13   2HB   LYS   2          2HB       LYS   2  -7.895  14.760  -2.020
   14   1HG   LYS   2          1HG       LYS   2  -8.163  16.818   0.165
   15   2HG   LYS   2          2HG       LYS   2  -8.338  17.117  -1.565
   16   1HD   LYS   2          1HD       LYS   2 -10.164  15.327  -1.509
   17   2HD   LYS   2          2HD       LYS   2 -10.110  15.500   0.246
   18   1HE   LYS   2          1HE       LYS   2 -11.698  17.059  -0.153
   19   2HE   LYS   2          2HE       LYS   2 -10.294  18.083  -0.448
   20   1HZ   LYS   2          1HZ       LYS   2 -11.871  16.647  -2.516
   21   2HZ   LYS   2          2HZ       LYS   2 -10.495  17.583  -2.818
   22   3HZ   LYS   2          3HZ       LYS   2 -11.899  18.313  -2.218
   23    H    PHE   3           H        PHE   3  -6.174  12.586   1.471
   24    HA   PHE   3           HA       PHE   3  -4.857  11.230  -0.721
   25   1HB   PHE   3          1HB       PHE   3  -4.391  10.640   2.186
   26   2HB   PHE   3          2HB       PHE   3  -3.282  10.530   0.845
   27    HD1  PHE   3           HD1      PHE   3  -4.885  12.819   3.207
   28    HD2  PHE   3           HD2      PHE   3  -2.021  12.418   0.087
   29    HE1  PHE   3           HE1      PHE   3  -3.974  15.034   3.764
   30    HE2  PHE   3           HE2      PHE   3  -1.105  14.633   0.638
   31    HZ   PHE   3           HZ       PHE   3  -2.081  15.945   2.479
   32    H    ALA   4           H        ALA   4  -5.817   9.498  -1.575
   33    HA   ALA   4           HA       ALA   4  -7.082   7.554   0.234
   34   1HB   ALA   4          1HB       ALA   4  -8.236   8.472  -2.397
   35   2HB   ALA   4          2HB       ALA   4  -8.860   8.870  -0.796
   36   3HB   ALA   4          3HB       ALA   4  -8.892   7.201  -1.365
   37    H    CYS   5           H        CYS   5  -6.854   5.410  -0.307
   38    HA   CYS   5           HA       CYS   5  -4.720   4.805  -2.172
   39   1HB   CYS   5          1HB       CYS   5  -4.837   3.757   0.083
   40   2HB   CYS   5          2HB       CYS   5  -6.306   2.931  -0.404
   41    HG   CYS   5           HG       CYS   5  -4.753   1.150  -1.058
   42    HA   PRO   6           HA       PRO   6  -7.438   3.686  -5.503
   43   1HB   PRO   6          1HB       PRO   6  -5.701   2.221  -6.987
   44   2HB   PRO   6          2HB       PRO   6  -5.631   3.984  -6.891
   45   1HG   PRO   6          1HG       PRO   6  -4.004   1.941  -5.424
   46   2HG   PRO   6          2HG       PRO   6  -3.476   3.448  -6.196
   47   1HD   PRO   6          1HD       PRO   6  -3.872   3.238  -3.526
   48   2HD   PRO   6          2HD       PRO   6  -4.161   4.748  -4.420
   49    H    GLU   7           H        GLU   7  -5.881   1.365  -3.444
   50    HA   GLU   7           HA       GLU   7  -7.480  -0.832  -4.523
   51   1HB   GLU   7          1HB       GLU   7  -4.975  -0.634  -2.926
   52   2HB   GLU   7          2HB       GLU   7  -5.984  -2.051  -2.699
   53   1HG   GLU   7          1HG       GLU   7  -4.423  -2.662  -4.325
   54   2HG   GLU   7          2HG       GLU   7  -5.909  -2.335  -5.215
   55    H    CYS   8           H        CYS   8  -6.881   0.971  -1.520
   56    HA   CYS   8           HA       CYS   8  -9.360  -0.191  -0.432
   57   1HB   CYS   8          1HB       CYS   8  -8.359  -0.356   1.762
   58   2HB   CYS   8          2HB       CYS   8  -7.366  -1.229   0.610
   59    HG   CYS   8           HG       CYS   8  -5.493   0.347   0.981
   60    HA   PRO   9           HA       PRO   9 -10.344   3.963   0.744
   61   1HB   PRO   9          1HB       PRO   9 -12.167   3.555   2.635
   62   2HB   PRO   9          2HB       PRO   9 -12.405   2.927   1.000
   63   1HG   PRO   9          1HG       PRO   9 -11.607   1.488   3.485
   64   2HG   PRO   9          2HG       PRO   9 -12.610   0.930   2.136
   65   1HD   PRO   9          1HD       PRO   9  -9.857   0.404   2.531
   66   2HD   PRO   9          2HD       PRO   9 -10.803   0.065   1.071
   67    H    LYS  10           H        LYS  10  -7.832   3.683   1.847
   68    HA   LYS  10           HA       LYS  10  -8.076   4.322   4.686
   69   1HB   LYS  10          1HB       LYS  10  -5.527   4.022   3.091
   70   2HB   LYS  10          2HB       LYS  10  -5.691   4.067   4.821
   71   1HG   LYS  10          1HG       LYS  10  -7.057   1.935   3.254
   72   2HG   LYS  10          2HG       LYS  10  -5.347   1.799   3.667
   73   1HD   LYS  10          1HD       LYS  10  -6.095   0.854   5.562
   74   2HD   LYS  10          2HD       LYS  10  -6.444   2.510   6.062
   75   1HE   LYS  10          1HE       LYS  10  -8.442   1.383   6.466
   76   2HE   LYS  10          2HE       LYS  10  -8.714   2.162   4.908
   77   1HZ   LYS  10          1HZ       LYS  10  -7.994  -0.683   5.359
   78   2HZ   LYS  10          2HZ       LYS  10  -8.116   0.043   3.837
   79   3HZ   LYS  10          3HZ       LYS  10  -9.485  -0.091   4.821
   80    H    ARG  11           H        ARG  11  -7.144   6.196   5.593
   81    HA   ARG  11           HA       ARG  11  -6.619   8.419   3.742
   82   1HB   ARG  11          1HB       ARG  11  -7.963   9.921   5.202
   83   2HB   ARG  11          2HB       ARG  11  -8.925   8.694   4.391
   84   1HG   ARG  11          1HG       ARG  11  -8.052   7.743   6.961
   85   2HG   ARG  11          2HG       ARG  11  -8.873   9.297   7.117
   86   1HD   ARG  11          1HD       ARG  11 -10.671   7.891   7.225
   87   2HD   ARG  11          2HD       ARG  11 -10.603   8.162   5.485
   88    HE   ARG  11           HE       ARG  11 -10.083   5.957   5.200
   89   1HH1  ARG  11          1HH1      ARG  11  -9.501   6.789   8.553
   90   2HH1  ARG  11          2HH1      ARG  11  -9.199   5.154   9.033
   91   1HH2  ARG  11          1HH2      ARG  11  -9.687   3.805   5.842
   92   2HH2  ARG  11          2HH2      ARG  11  -9.303   3.462   7.496
   93    H    PHE  12           H        PHE  12  -4.932   9.691   4.304
   94    HA   PHE  12           HA       PHE  12  -3.841   9.413   7.024
   95   1HB   PHE  12          1HB       PHE  12  -2.254   9.385   4.479
   96   2HB   PHE  12          2HB       PHE  12  -1.576   9.302   6.091
   97    HD1  PHE  12           HD1      PHE  12  -4.216   7.545   4.132
   98    HD2  PHE  12           HD2      PHE  12  -0.876   7.193   6.739
   99    HE1  PHE  12           HE1      PHE  12  -4.413   5.116   4.037
  100    HE2  PHE  12           HE2      PHE  12  -1.074   4.737   6.648
  101    HZ   PHE  12           HZ       PHE  12  -2.855   3.700   5.280
  102    H    MET  13           H        MET  13  -2.112  11.105   7.466
  103    HA   MET  13           HA       MET  13  -3.226  13.697   6.834
  104   1HB   MET  13          1HB       MET  13  -1.001  12.763   8.638
  105   2HB   MET  13          2HB       MET  13  -1.288  14.472   8.337
  106   1HG   MET  13          1HG       MET  13  -2.663  14.389  10.077
  107   2HG   MET  13          2HG       MET  13  -3.784  13.556   9.000
  108   1HE   MET  13          1HE       MET  13  -1.947  13.596  12.154
  109   2HE   MET  13          2HE       MET  13  -0.626  12.684  11.420
  110   3HE   MET  13          3HE       MET  13  -1.654  11.925  12.636
  111    H    ARG  14           H        ARG  14  -0.250  11.904   6.152
  112    HA   ARG  14           HA       ARG  14   0.687  14.099   4.445
  113   1HB   ARG  14          1HB       ARG  14   2.028  11.792   5.792
  114   2HB   ARG  14          2HB       ARG  14   2.755  12.463   4.342
  115   1HG   ARG  14          1HG       ARG  14   3.825  13.646   5.990
  116   2HG   ARG  14          2HG       ARG  14   2.498  14.733   5.579
  117   1HD   ARG  14          1HD       ARG  14   1.949  14.733   7.736
  118   2HD   ARG  14          2HD       ARG  14   1.452  13.051   7.535
  119    HE   ARG  14           HE       ARG  14   3.276  12.416   8.745
  120   1HH1  ARG  14          1HH1      ARG  14   3.818  15.688   7.614
  121   2HH1  ARG  14          2HH1      ARG  14   5.281  15.887   8.518
  122   1HH2  ARG  14          1HH2      ARG  14   5.200  12.689   9.936
  123   2HH2  ARG  14          2HH2      ARG  14   6.066  14.186   9.835
  124    H    SER  15           H        SER  15   1.749  13.447   2.378
  125    HA   SER  15           HA       SER  15  -0.024  11.662   0.920
  126   1HB   SER  15          1HB       SER  15   0.181  13.334  -0.519
  127   2HB   SER  15          2HB       SER  15   1.631  13.966   0.256
  128    HG   SER  15           HG       SER  15   1.366  12.184  -1.872
  129    H    ASP  16           H        ASP  16   3.452  12.037   1.564
  130    HA   ASP  16           HA       ASP  16   4.250   9.718   0.133
  131   1HB   ASP  16          1HB       ASP  16   5.605  11.813   1.142
  132   2HB   ASP  16          2HB       ASP  16   5.920  10.623   2.400
  133    H    HIS  17           H        HIS  17   3.429  10.332   3.520
  134    HA   HIS  17           HA       HIS  17   4.195   7.829   4.558
  135   1HB   HIS  17          1HB       HIS  17   2.317   9.985   5.444
  136   2HB   HIS  17          2HB       HIS  17   2.290   8.433   6.270
  137    HD1  HIS  17           HD1      HIS  17   3.074  10.048   8.314
  138    HD2  HIS  17           HD2      HIS  17   5.854   9.333   5.310
  139    HE1  HIS  17           HE1      HIS  17   5.298  10.671   9.296
  140    HE2  HIS  17           HE2      HIS  17   6.957  10.310   7.435
  141    H    LEU  18           H        LEU  18   1.041   8.990   3.351
  142    HA   LEU  18           HA       LEU  18  -0.430   6.659   3.796
  143   1HB   LEU  18          1HB       LEU  18  -1.375   8.841   3.123
  144   2HB   LEU  18          2HB       LEU  18  -0.724   8.620   1.523
  145    HG   LEU  18           HG       LEU  18  -2.584   6.565   2.631
  146   1HD1  LEU  18          1HD1      LEU  18  -3.786   8.749   1.070
  147   2HD1  LEU  18          2HD1      LEU  18  -3.371   9.122   2.742
  148   3HD1  LEU  18          3HD1      LEU  18  -4.460   7.782   2.380
  149   1HD2  LEU  18          1HD2      LEU  18  -1.354   7.173   0.114
  150   2HD2  LEU  18          2HD2      LEU  18  -3.111   7.165  -0.040
  151   3HD2  LEU  18          3HD2      LEU  18  -2.273   5.748   0.602
  152    H    THR  19           H        THR  19   1.548   7.657   1.031
  153    HA   THR  19           HA       THR  19   0.957   5.475  -0.611
  154    HB   THR  19           HB       THR  19   3.514   7.096  -0.530
  155    HG1  THR  19           HG1      THR  19   2.175   8.616  -1.088
  156   1HG2  THR  19          1HG2      THR  19   3.585   6.601  -2.972
  157   2HG2  THR  19          2HG2      THR  19   2.318   5.403  -2.706
  158   3HG2  THR  19          3HG2      THR  19   3.889   5.213  -1.928
  159    H    LEU  20           H        LEU  20   3.305   5.915   1.980
  160    HA   LEU  20           HA       LEU  20   4.877   3.624   1.552
  161   1HB   LEU  20          1HB       LEU  20   5.337   5.513   3.164
  162   2HB   LEU  20          2HB       LEU  20   4.142   4.807   4.233
  163    HG   LEU  20           HG       LEU  20   5.652   2.658   3.993
  164   1HD1  LEU  20          1HD1      LEU  20   7.625   4.878   3.481
  165   2HD1  LEU  20          2HD1      LEU  20   7.134   3.658   2.306
  166   3HD1  LEU  20          3HD1      LEU  20   8.005   3.180   3.763
  167   1HD2  LEU  20          1HD2      LEU  20   6.376   5.041   5.697
  168   2HD2  LEU  20          2HD2      LEU  20   6.900   3.381   5.983
  169   3HD2  LEU  20          3HD2      LEU  20   5.189   3.795   6.085
  170    H    HIS  21           H        HIS  21   1.794   4.115   3.162
  171    HA   HIS  21           HA       HIS  21   1.471   1.639   4.409
  172   1HB   HIS  21          1HB       HIS  21  -0.458   2.612   5.019
  173   2HB   HIS  21          2HB       HIS  21  -0.043   3.981   4.028
  174    HD1  HIS  21           HD1      HIS  21  -2.152   4.619   2.838
  175    HD2  HIS  21           HD2      HIS  21  -1.560   0.520   2.857
  176    HE1  HIS  21           HE1      HIS  21  -4.063   3.606   1.535
  177    H    ILE  22           H        ILE  22   0.504   2.735   1.212
  178    HA   ILE  22           HA       ILE  22  -0.825   0.431   0.406
  179    HB   ILE  22           HB       ILE  22   0.608   2.258  -1.513
  180   1HG1  ILE  22          1HG1      ILE  22  -2.198   2.803  -0.710
  181   2HG1  ILE  22          2HG1      ILE  22  -0.962   3.261   0.439
  182   1HG2  ILE  22          1HG2      ILE  22  -0.928   1.573  -3.095
  183   2HG2  ILE  22          2HG2      ILE  22  -2.115   1.091  -1.880
  184   3HG2  ILE  22          3HG2      ILE  22  -0.695   0.087  -2.175
  185   1HD1  ILE  22          1HD1      ILE  22  -0.951   5.167  -0.696
  186   2HD1  ILE  22          2HD1      ILE  22  -1.703   4.443  -2.116
  187   3HD1  ILE  22          3HD1      ILE  22   0.034   4.281  -1.860
  188    H    LEU  23           H        LEU  23   2.449   0.628   1.054
  189    HA   LEU  23           HA       LEU  23   3.521  -0.993  -1.000
  190   1HB   LEU  23          1HB       LEU  23   4.710   0.495   0.756
  191   2HB   LEU  23          2HB       LEU  23   4.610  -0.927   1.767
  192    HG   LEU  23           HG       LEU  23   5.712  -1.496  -0.875
  193   1HD1  LEU  23          1HD1      LEU  23   6.617   0.731  -0.686
  194   2HD1  LEU  23          2HD1      LEU  23   7.897  -0.449  -0.402
  195   3HD1  LEU  23          3HD1      LEU  23   7.166   0.404   0.958
  196   1HD2  LEU  23          1HD2      LEU  23   7.359  -2.697   0.450
  197   2HD2  LEU  23          2HD2      LEU  23   5.729  -3.064   1.013
  198   3HD2  LEU  23          3HD2      LEU  23   6.745  -1.947   1.924
  199    H    LEU  24           H        LEU  24   1.943  -1.729   2.084
  200    HA   LEU  24           HA       LEU  24   2.691  -4.451   2.193
  201   1HB   LEU  24          1HB       LEU  24   0.395  -4.584   3.530
  202   2HB   LEU  24          2HB       LEU  24   1.884  -3.982   4.221
  203    HG   LEU  24           HG       LEU  24   1.090  -1.663   3.660
  204   1HD1  LEU  24          1HD1      LEU  24  -1.453  -3.168   3.067
  205   2HD1  LEU  24          2HD1      LEU  24  -0.563  -2.100   1.984
  206   3HD1  LEU  24          3HD1      LEU  24  -1.389  -1.435   3.391
  207   1HD2  LEU  24          1HD2      LEU  24   0.086  -1.477   5.697
  208   2HD2  LEU  24          2HD2      LEU  24   0.840  -3.063   5.855
  209   3HD2  LEU  24          3HD2      LEU  24  -0.878  -2.937   5.479
  210    H    HIS  25           H        HIS  25   0.241  -2.852   0.309
  211    HA   HIS  25           HA       HIS  25  -1.565  -4.909  -0.137
  212   1HB   HIS  25          1HB       HIS  25  -0.637  -2.626  -1.856
  213   2HB   HIS  25          2HB       HIS  25  -1.783  -3.806  -2.483
  214    HD1  HIS  25           HD1      HIS  25  -3.994  -4.098  -0.741
  215    HD2  HIS  25           HD2      HIS  25  -1.826  -0.560  -0.672
  216    HE1  HIS  25           HE1      HIS  25  -5.494  -2.363   0.337
  217    H    GLU  26           H        GLU  26   1.474  -4.231  -1.864
  218    HA   GLU  26           HA       GLU  26   1.210  -6.748  -3.329
  219   1HB   GLU  26          1HB       GLU  26   3.152  -4.447  -3.587
  220   2HB   GLU  26          2HB       GLU  26   3.276  -5.928  -4.525
  221   1HG   GLU  26          1HG       GLU  26   0.997  -3.963  -4.569
  222   2HG   GLU  26          2HG       GLU  26   2.208  -4.203  -5.827
  223    H    ASN  27           H        ASN  27   1.603  -6.999  -0.556
  224    HA   ASN  27           HA       ASN  27   3.892  -8.705  -0.511
  225   1HB   ASN  27          1HB       ASN  27   4.734  -6.265  -0.092
  226   2HB   ASN  27          2HB       ASN  27   4.035  -6.484   1.508
  227   1HD2  ASN  27          1HD2      ASN  27   5.232  -7.448   3.011
  228   2HD2  ASN  27          2HD2      ASN  27   6.698  -8.314   2.719
  229    H    LYS  28           H        LYS  28   1.314  -9.378  -0.150
  230    HA   LYS  28           HA       LYS  28   1.298 -10.315   2.595
  231   1HB   LYS  28          1HB       LYS  28  -0.039  -8.030   2.220
  232   2HB   LYS  28          2HB       LYS  28  -1.290  -9.147   1.697
  233   1HG   LYS  28          1HG       LYS  28  -0.204 -10.130   4.127
  234   2HG   LYS  28          2HG       LYS  28  -0.553  -8.413   4.333
  235   1HD   LYS  28          1HD       LYS  28  -2.584  -9.329   4.889
  236   2HD   LYS  28          2HD       LYS  28  -2.814  -9.054   3.162
  237   1HE   LYS  28          1HE       LYS  28  -2.780 -11.271   2.665
  238   2HE   LYS  28          2HE       LYS  28  -1.646 -11.656   3.959
  239   1HZ   LYS  28          1HZ       LYS  28  -3.849 -12.582   4.369
  240   2HZ   LYS  28          2HZ       LYS  28  -4.527 -11.033   4.333
  241   3HZ   LYS  28          3HZ       LYS  28  -3.436 -11.449   5.556
  242    H    LYS  29           H        LYS  29   1.575 -12.367   1.716
  243    HA   LYS  29           HA       LYS  29  -0.829 -13.726   0.990
  244   1HB   LYS  29          1HB       LYS  29   0.163 -14.633  -1.192
  245   2HB   LYS  29          2HB       LYS  29  -0.502 -13.007  -1.221
  246   1HG   LYS  29          1HG       LYS  29   2.036 -12.399  -0.663
  247   2HG   LYS  29          2HG       LYS  29   2.294 -13.923  -1.514
  248   1HD   LYS  29          1HD       LYS  29   2.393 -12.262  -3.178
  249   2HD   LYS  29          2HD       LYS  29   0.789 -12.980  -3.338
  250   1HE   LYS  29          1HE       LYS  29  -0.041 -10.919  -3.198
  251   2HE   LYS  29          2HE       LYS  29   0.451 -10.917  -1.506
  252   1HZ   LYS  29          1HZ       LYS  29   2.137  -9.995  -3.772
  253   2HZ   LYS  29          2HZ       LYS  29   2.552  -9.937  -2.133
  254   3HZ   LYS  29          3HZ       LYS  29   1.283  -8.984  -2.718
  Start of MODEL   28
    1    H    TYR   1           H        TYR   1  -7.211  14.482   6.424
    2    HA   TYR   1           HA       TYR   1  -7.530  12.249   5.433
    3   1HB   TYR   1          1HB       TYR   1 -10.335  13.279   4.958
    4   2HB   TYR   1          2HB       TYR   1  -9.689  11.693   4.554
    5    HD1  TYR   1           HD1      TYR   1 -11.862  13.250   6.668
    6    HD2  TYR   1           HD2      TYR   1  -8.579  10.549   6.829
    7    HE1  TYR   1           HE1      TYR   1 -12.688  12.382   8.816
    8    HE2  TYR   1           HE2      TYR   1  -9.396   9.674   8.976
    9    HH   TYR   1           HH       TYR   1 -11.219  11.034  10.944
   10    H    LYS   2           H        LYS   2  -6.023  13.184   4.086
   11    HA   LYS   2           HA       LYS   2  -6.895  15.253   2.216
   12   1HB   LYS   2          1HB       LYS   2  -4.745  15.508   3.443
   13   2HB   LYS   2          2HB       LYS   2  -4.136  14.083   2.613
   14   1HG   LYS   2          1HG       LYS   2  -3.416  15.393   0.985
   15   2HG   LYS   2          2HG       LYS   2  -5.091  15.797   0.608
   16   1HD   LYS   2          1HD       LYS   2  -3.774  17.231   2.857
   17   2HD   LYS   2          2HD       LYS   2  -3.305  17.658   1.210
   18   1HE   LYS   2          1HE       LYS   2  -5.931  17.708   0.868
   19   2HE   LYS   2          2HE       LYS   2  -5.908  18.013   2.605
   20   1HZ   LYS   2          1HZ       LYS   2  -4.449  19.902   2.214
   21   2HZ   LYS   2          2HZ       LYS   2  -5.890  20.071   1.346
   22   3HZ   LYS   2          3HZ       LYS   2  -4.473  19.606   0.548
   23    H    PHE   3           H        PHE   3  -5.116  12.152   2.030
   24    HA   PHE   3           HA       PHE   3  -6.043  11.872  -0.739
   25   1HB   PHE   3          1HB       PHE   3  -3.602  11.038   0.734
   26   2HB   PHE   3          2HB       PHE   3  -4.184   9.968  -0.525
   27    HD1  PHE   3           HD1      PHE   3  -4.355  10.793  -2.866
   28    HD2  PHE   3           HD2      PHE   3  -2.524  13.076   0.224
   29    HE1  PHE   3           HE1      PHE   3  -3.253  12.195  -4.560
   30    HE2  PHE   3           HE2      PHE   3  -1.420  14.484  -1.464
   31    HZ   PHE   3           HZ       PHE   3  -1.784  14.044  -3.860
   32    H    ALA   4           H        ALA   4  -6.076   9.410  -1.364
   33    HA   ALA   4           HA       ALA   4  -7.173   7.668   0.669
   34   1HB   ALA   4          1HB       ALA   4  -9.156   8.921   0.081
   35   2HB   ALA   4          2HB       ALA   4  -9.289   7.279  -0.549
   36   3HB   ALA   4          3HB       ALA   4  -8.882   8.610  -1.633
   37    H    CYS   5           H        CYS   5  -6.838   5.541   0.181
   38    HA   CYS   5           HA       CYS   5  -5.119   4.897  -1.977
   39   1HB   CYS   5          1HB       CYS   5  -5.367   3.700   0.296
   40   2HB   CYS   5          2HB       CYS   5  -6.708   2.849  -0.454
   41    HG   CYS   5           HG       CYS   5  -3.816   2.633  -1.578
   42    HA   PRO   6           HA       PRO   6  -8.147   4.169  -5.149
   43   1HB   PRO   6          1HB       PRO   6  -6.546   2.964  -6.959
   44   2HB   PRO   6          2HB       PRO   6  -6.447   4.695  -6.618
   45   1HG   PRO   6          1HG       PRO   6  -4.719   2.466  -5.615
   46   2HG   PRO   6          2HG       PRO   6  -4.247   4.075  -6.193
   47   1HD   PRO   6          1HD       PRO   6  -4.444   3.432  -3.553
   48   2HD   PRO   6          2HD       PRO   6  -4.714   5.071  -4.178
   49    H    GLU   7           H        GLU   7  -6.295   1.655  -3.600
   50    HA   GLU   7           HA       GLU   7  -7.979  -0.446  -4.747
   51   1HB   GLU   7          1HB       GLU   7  -5.477  -0.695  -4.679
   52   2HB   GLU   7          2HB       GLU   7  -5.588  -0.755  -2.925
   53   1HG   GLU   7          1HG       GLU   7  -7.414  -2.641  -4.061
   54   2HG   GLU   7          2HG       GLU   7  -5.810  -2.874  -4.753
   55    H    CYS   8           H        CYS   8  -6.862   0.695  -1.543
   56    HA   CYS   8           HA       CYS   8  -9.157  -0.691  -0.326
   57   1HB   CYS   8          1HB       CYS   8  -7.952  -0.750   1.715
   58   2HB   CYS   8          2HB       CYS   8  -6.817  -1.216   0.463
   59    HG   CYS   8           HG       CYS   8  -5.370   0.597   1.208
   60    HA   PRO   9           HA       PRO   9 -10.869   3.157   1.008
   61   1HB   PRO   9          1HB       PRO   9 -12.150   2.477   3.249
   62   2HB   PRO   9          2HB       PRO   9 -12.567   1.742   1.699
   63   1HG   PRO   9          1HG       PRO   9 -11.018   0.611   3.973
   64   2HG   PRO   9          2HG       PRO   9 -12.110  -0.202   2.842
   65   1HD   PRO   9          1HD       PRO   9  -9.292  -0.126   2.707
   66   2HD   PRO   9          2HD       PRO   9 -10.390  -0.706   1.448
   67    H    LYS  10           H        LYS  10  -8.050   3.047   1.811
   68    HA   LYS  10           HA       LYS  10  -8.014   4.079   4.528
   69   1HB   LYS  10          1HB       LYS  10  -5.791   3.578   2.547
   70   2HB   LYS  10          2HB       LYS  10  -5.539   4.269   4.126
   71   1HG   LYS  10          1HG       LYS  10  -7.021   1.725   4.059
   72   2HG   LYS  10          2HG       LYS  10  -5.315   1.661   3.613
   73   1HD   LYS  10          1HD       LYS  10  -5.028   3.116   5.786
   74   2HD   LYS  10          2HD       LYS  10  -6.577   2.387   6.216
   75   1HE   LYS  10          1HE       LYS  10  -4.920   0.981   7.138
   76   2HE   LYS  10          2HE       LYS  10  -5.518   0.148   5.705
   77   1HZ   LYS  10          1HZ       LYS  10  -3.018   0.232   6.052
   78   2HZ   LYS  10          2HZ       LYS  10  -3.106   1.860   5.607
   79   3HZ   LYS  10          3HZ       LYS  10  -3.590   0.658   4.519
   80    H    ARG  11           H        ARG  11  -6.885   6.105   5.004
   81    HA   ARG  11           HA       ARG  11  -6.820   8.118   2.913
   82   1HB   ARG  11          1HB       ARG  11  -8.241   9.668   4.387
   83   2HB   ARG  11          2HB       ARG  11  -9.080   8.437   3.454
   84   1HG   ARG  11          1HG       ARG  11  -8.759   7.063   5.707
   85   2HG   ARG  11          2HG       ARG  11  -8.725   8.690   6.383
   86   1HD   ARG  11          1HD       ARG  11 -10.919   8.985   6.063
   87   2HD   ARG  11          2HD       ARG  11 -10.857   8.312   4.435
   88    HE   ARG  11           HE       ARG  11 -10.657   6.315   6.483
   89   1HH1  ARG  11          1HH1      ARG  11 -12.905   8.257   4.626
   90   2HH1  ARG  11          2HH1      ARG  11 -14.213   7.139   4.812
   91   1HH2  ARG  11          1HH2      ARG  11 -12.385   4.847   6.721
   92   2HH2  ARG  11          2HH2      ARG  11 -13.918   5.204   6.001
   93    H    PHE  12           H        PHE  12  -5.182   9.518   3.246
   94    HA   PHE  12           HA       PHE  12  -4.190   9.906   5.983
   95   1HB   PHE  12          1HB       PHE  12  -2.299   9.434   3.718
   96   2HB   PHE  12          2HB       PHE  12  -1.940   9.444   5.428
   97    HD1  PHE  12           HD1      PHE  12  -4.165   7.605   3.066
   98    HD2  PHE  12           HD2      PHE  12  -1.509   7.397   6.382
   99    HE1  PHE  12           HE1      PHE  12  -4.401   5.171   3.091
  100    HE2  PHE  12           HE2      PHE  12  -1.746   4.946   6.415
  101    HZ   PHE  12           HZ       PHE  12  -3.193   3.832   4.754
  102    H    MET  13           H        MET  13  -3.358  11.892   6.427
  103    HA   MET  13           HA       MET  13  -3.935  14.001   4.567
  104   1HB   MET  13          1HB       MET  13  -3.105  15.506   6.335
  105   2HB   MET  13          2HB       MET  13  -4.311  14.378   6.935
  106   1HG   MET  13          1HG       MET  13  -2.054  13.007   7.474
  107   2HG   MET  13          2HG       MET  13  -1.469  14.661   7.624
  108   1HE   MET  13          1HE       MET  13  -3.567  11.850   8.847
  109   2HE   MET  13          2HE       MET  13  -5.011  12.858   8.761
  110   3HE   MET  13          3HE       MET  13  -4.344  12.403  10.329
  111    H    ARG  14           H        ARG  14  -1.219  12.020   5.187
  112    HA   ARG  14           HA       ARG  14   0.650  13.937   3.993
  113   1HB   ARG  14          1HB       ARG  14   1.230  11.223   5.204
  114   2HB   ARG  14          2HB       ARG  14   2.416  12.416   4.697
  115   1HG   ARG  14          1HG       ARG  14   2.407  12.812   6.934
  116   2HG   ARG  14          2HG       ARG  14   1.138  13.930   6.436
  117   1HD   ARG  14          1HD       ARG  14   0.429  12.678   8.387
  118   2HD   ARG  14          2HD       ARG  14  -0.551  12.236   6.988
  119    HE   ARG  14           HE       ARG  14   1.734  10.543   7.649
  120   1HH1  ARG  14          1HH1      ARG  14  -1.744  10.981   7.643
  121   2HH1  ARG  14          2HH1      ARG  14  -2.075   9.303   7.898
  122   1HH2  ARG  14          1HH2      ARG  14   1.285   8.336   7.990
  123   2HH2  ARG  14          2HH2      ARG  14  -0.359   7.802   8.097
  124    H    SER  15           H        SER  15   2.036  13.237   2.241
  125    HA   SER  15           HA       SER  15   0.601  11.500   0.384
  126   1HB   SER  15          1HB       SER  15   1.072  13.204  -0.949
  127   2HB   SER  15          2HB       SER  15   2.322  13.836   0.119
  128    HG   SER  15           HG       SER  15   3.800  12.830  -1.019
  129    H    ASP  16           H        ASP  16   3.891  11.925   1.683
  130    HA   ASP  16           HA       ASP  16   4.939   9.600   0.423
  131   1HB   ASP  16          1HB       ASP  16   6.088  11.738   1.594
  132   2HB   ASP  16          2HB       ASP  16   6.234  10.566   2.898
  133    H    HIS  17           H        HIS  17   3.911  10.260   3.774
  134    HA   HIS  17           HA       HIS  17   4.432   7.694   4.788
  135   1HB   HIS  17          1HB       HIS  17   2.607   9.920   5.645
  136   2HB   HIS  17          2HB       HIS  17   2.569   8.368   6.471
  137    HD1  HIS  17           HD1      HIS  17   3.397   9.727   8.590
  138    HD2  HIS  17           HD2      HIS  17   6.098   9.503   5.441
  139    HE1  HIS  17           HE1      HIS  17   5.605  10.430   9.548
  140    HE2  HIS  17           HE2      HIS  17   7.209  10.370   7.609
  141    H    LEU  18           H        LEU  18   1.574   9.036   3.183
  142    HA   LEU  18           HA       LEU  18  -0.192   6.907   3.631
  143   1HB   LEU  18          1HB       LEU  18  -0.844   9.089   2.721
  144   2HB   LEU  18          2HB       LEU  18   0.011   8.739   1.243
  145    HG   LEU  18           HG       LEU  18  -2.211   6.962   2.170
  146   1HD1  LEU  18          1HD1      LEU  18  -2.763   9.514   1.995
  147   2HD1  LEU  18          2HD1      LEU  18  -3.850   8.306   1.310
  148   3HD1  LEU  18          3HD1      LEU  18  -2.729   9.179   0.265
  149   1HD2  LEU  18          1HD2      LEU  18  -2.276   7.185  -0.558
  150   2HD2  LEU  18          2HD2      LEU  18  -1.512   5.881   0.357
  151   3HD2  LEU  18          3HD2      LEU  18  -0.550   7.253  -0.198
  152    H    THR  19           H        THR  19   2.074   7.526   0.956
  153    HA   THR  19           HA       THR  19   1.454   5.236  -0.516
  154    HB   THR  19           HB       THR  19   4.130   6.651  -0.388
  155    HG1  THR  19           HG1      THR  19   1.821   7.187  -1.944
  156   1HG2  THR  19          1HG2      THR  19   4.278   5.972  -2.784
  157   2HG2  THR  19          2HG2      THR  19   2.898   4.910  -2.504
  158   3HG2  THR  19          3HG2      THR  19   4.405   4.648  -1.627
  159    H    LEU  20           H        LEU  20   3.540   5.739   2.260
  160    HA   LEU  20           HA       LEU  20   5.044   3.375   2.169
  161   1HB   LEU  20          1HB       LEU  20   5.318   5.374   3.725
  162   2HB   LEU  20          2HB       LEU  20   4.035   4.681   4.693
  163    HG   LEU  20           HG       LEU  20   5.446   2.618   4.949
  164   1HD1  LEU  20          1HD1      LEU  20   7.882   2.914   4.523
  165   2HD1  LEU  20          2HD1      LEU  20   7.497   4.378   3.618
  166   3HD1  LEU  20          3HD1      LEU  20   6.901   2.814   3.061
  167   1HD2  LEU  20          1HD2      LEU  20   5.295   4.367   6.677
  168   2HD2  LEU  20          2HD2      LEU  20   6.681   5.180   5.951
  169   3HD2  LEU  20          3HD2      LEU  20   6.871   3.575   6.656
  170    H    HIS  21           H        HIS  21   1.775   4.037   3.253
  171    HA   HIS  21           HA       HIS  21   1.234   1.621   4.583
  172   1HB   HIS  21          1HB       HIS  21  -0.731   2.651   4.928
  173   2HB   HIS  21          2HB       HIS  21  -0.142   3.999   3.999
  174    HD1  HIS  21           HD1      HIS  21  -1.937   4.706   2.421
  175    HD2  HIS  21           HD2      HIS  21  -1.717   0.584   2.761
  176    HE1  HIS  21           HE1      HIS  21  -3.743   3.759   0.930
  177    H    ILE  22           H        ILE  22   0.684   2.646   1.262
  178    HA   ILE  22           HA       ILE  22  -0.610   0.345   0.370
  179    HB   ILE  22           HB       ILE  22   1.091   2.086  -1.404
  180   1HG1  ILE  22          1HG1      ILE  22  -1.783   2.700  -0.977
  181   2HG1  ILE  22          2HG1      ILE  22  -0.694   3.162   0.312
  182   1HG2  ILE  22          1HG2      ILE  22  -0.407  -0.120  -1.995
  183   2HG2  ILE  22          2HG2      ILE  22  -0.018   1.171  -3.131
  184   3HG2  ILE  22          3HG2      ILE  22  -1.558   1.188  -2.267
  185   1HD1  ILE  22          1HD1      ILE  22  -1.125   4.343  -2.294
  186   2HD1  ILE  22          2HD1      ILE  22   0.580   4.083  -1.925
  187   3HD1  ILE  22          3HD1      ILE  22  -0.426   5.031  -0.831
  188    H    LEU  23           H        LEU  23   2.591   0.521   1.380
  189    HA   LEU  23           HA       LEU  23   3.875  -1.160  -0.483
  190   1HB   LEU  23          1HB       LEU  23   4.411  -0.212   2.261
  191   2HB   LEU  23          2HB       LEU  23   5.169  -1.732   1.834
  192    HG   LEU  23           HG       LEU  23   6.195  -0.614  -0.144
  193   1HD1  LEU  23          1HD1      LEU  23   4.950   1.830   1.098
  194   2HD1  LEU  23          2HD1      LEU  23   4.692   1.194  -0.527
  195   3HD1  LEU  23          3HD1      LEU  23   6.253   1.886  -0.088
  196   1HD2  LEU  23          1HD2      LEU  23   6.831   0.685   2.502
  197   2HD2  LEU  23          2HD2      LEU  23   7.906   0.547   1.112
  198   3HD2  LEU  23          3HD2      LEU  23   7.403  -0.900   1.985
  199    H    LEU  24           H        LEU  24   1.870  -1.842   2.371
  200    HA   LEU  24           HA       LEU  24   2.435  -4.604   2.525
  201   1HB   LEU  24          1HB       LEU  24  -0.079  -4.616   3.445
  202   2HB   LEU  24          2HB       LEU  24   1.310  -4.163   4.403
  203    HG   LEU  24           HG       LEU  24   0.786  -1.760   3.776
  204   1HD1  LEU  24          1HD1      LEU  24  -1.731  -1.486   3.301
  205   2HD1  LEU  24          2HD1      LEU  24  -1.648  -3.142   2.699
  206   3HD1  LEU  24          3HD1      LEU  24  -0.668  -1.882   1.951
  207   1HD2  LEU  24          1HD2      LEU  24  -1.456  -2.960   5.316
  208   2HD2  LEU  24          2HD2      LEU  24  -0.487  -1.527   5.664
  209   3HD2  LEU  24          3HD2      LEU  24   0.198  -3.135   5.902
  210    H    HIS  25           H        HIS  25   0.242  -2.807   0.464
  211    HA   HIS  25           HA       HIS  25  -1.378  -4.912  -0.427
  212   1HB   HIS  25          1HB       HIS  25  -0.520  -2.337  -1.745
  213   2HB   HIS  25          2HB       HIS  25  -1.629  -3.463  -2.519
  214    HD1  HIS  25           HD1      HIS  25  -3.387  -4.168  -0.040
  215    HD2  HIS  25           HD2      HIS  25  -2.219  -0.332  -1.121
  216    HE1  HIS  25           HE1      HIS  25  -5.084  -2.592   0.976
  217    H    GLU  26           H        GLU  26   1.692  -3.662  -1.719
  218    HA   GLU  26           HA       GLU  26   1.855  -5.457  -3.898
  219   1HB   GLU  26          1HB       GLU  26   3.164  -3.276  -3.502
  220   2HB   GLU  26          2HB       GLU  26   4.242  -4.251  -2.514
  221   1HG   GLU  26          1HG       GLU  26   5.252  -4.152  -4.619
  222   2HG   GLU  26          2HG       GLU  26   4.512  -5.750  -4.538
  223    H    ASN  27           H        ASN  27   3.174  -5.561  -0.602
  224    HA   ASN  27           HA       ASN  27   4.309  -8.200  -1.054
  225   1HB   ASN  27          1HB       ASN  27   5.349  -6.279   0.360
  226   2HB   ASN  27          2HB       ASN  27   4.224  -6.802   1.609
  227   1HD2  ASN  27          1HD2      ASN  27   7.186  -7.395   0.038
  228   2HD2  ASN  27          2HD2      ASN  27   7.613  -8.838   0.887
  229    H    LYS  28           H        LYS  28   2.105  -9.054  -1.526
  230    HA   LYS  28           HA       LYS  28   1.062 -10.384   0.801
  231   1HB   LYS  28          1HB       LYS  28  -0.085  -7.995   0.411
  232   2HB   LYS  28          2HB       LYS  28  -1.063  -8.944  -0.699
  233   1HG   LYS  28          1HG       LYS  28  -1.899 -10.299   1.017
  234   2HG   LYS  28          2HG       LYS  28  -0.643  -9.788   2.147
  235   1HD   LYS  28          1HD       LYS  28  -1.604  -7.498   2.098
  236   2HD   LYS  28          2HD       LYS  28  -2.913  -8.109   1.084
  237   1HE   LYS  28          1HE       LYS  28  -3.916  -8.288   3.121
  238   2HE   LYS  28          2HE       LYS  28  -3.130  -9.863   3.055
  239   1HZ   LYS  28          1HZ       LYS  28  -2.092  -7.447   4.439
  240   2HZ   LYS  28          2HZ       LYS  28  -1.284  -8.930   4.338
  241   3HZ   LYS  28          3HZ       LYS  28  -2.747  -8.820   5.180
  242    H    LYS  29           H        LYS  29  -0.376 -12.120   0.286
  243    HA   LYS  29           HA       LYS  29   0.194 -13.344  -2.230
  244   1HB   LYS  29          1HB       LYS  29  -1.066 -14.113   0.288
  245   2HB   LYS  29          2HB       LYS  29  -1.879 -14.807  -1.107
  246   1HG   LYS  29          1HG       LYS  29  -0.289 -16.399  -0.491
  247   2HG   LYS  29          2HG       LYS  29   0.429 -15.566  -1.872
  248   1HD   LYS  29          1HD       LYS  29   2.198 -15.649  -0.380
  249   2HD   LYS  29          2HD       LYS  29   1.518 -14.053  -0.057
  250   1HE   LYS  29          1HE       LYS  29   1.626 -14.766   2.086
  251   2HE   LYS  29          2HE       LYS  29   0.079 -15.505   1.678
  252   1HZ   LYS  29          1HZ       LYS  29   2.727 -16.851   1.593
  253   2HZ   LYS  29          2HZ       LYS  29   1.253 -17.566   1.173
  254   3HZ   LYS  29          3HZ       LYS  29   1.532 -17.083   2.769
  Start of MODEL   29
    1    H    TYR   1           H        TYR   1  -6.558  14.144   6.207
    2    HA   TYR   1           HA       TYR   1  -6.325  12.276   4.565
    3   1HB   TYR   1          1HB       TYR   1  -8.620  11.542   5.078
    4   2HB   TYR   1          2HB       TYR   1  -7.861  12.294   6.475
    5    HD1  TYR   1           HD1      TYR   1 -10.653  12.355   4.215
    6    HD2  TYR   1           HD2      TYR   1  -8.500  14.682   7.054
    7    HE1  TYR   1           HE1      TYR   1 -12.579  13.866   4.430
    8    HE2  TYR   1           HE2      TYR   1 -10.420  16.199   7.275
    9    HH   TYR   1           HH       TYR   1 -12.665  16.629   5.287
   10    H    LYS   2           H        LYS   2  -6.100  14.445   2.750
   11    HA   LYS   2           HA       LYS   2  -8.352  14.437   0.966
   12   1HB   LYS   2          1HB       LYS   2  -5.920  15.942   1.264
   13   2HB   LYS   2          2HB       LYS   2  -6.084  15.409  -0.403
   14   1HG   LYS   2          1HG       LYS   2  -8.398  16.687   0.987
   15   2HG   LYS   2          2HG       LYS   2  -7.093  17.680   0.334
   16   1HD   LYS   2          1HD       LYS   2  -7.503  16.963  -1.867
   17   2HD   LYS   2          2HD       LYS   2  -8.479  15.595  -1.327
   18   1HE   LYS   2          1HE       LYS   2 -10.239  16.902  -1.773
   19   2HE   LYS   2          2HE       LYS   2  -9.831  17.728  -0.270
   20   1HZ   LYS   2          1HZ       LYS   2  -8.932  18.513  -2.991
   21   2HZ   LYS   2          2HZ       LYS   2  -8.490  19.294  -1.557
   22   3HZ   LYS   2          3HZ       LYS   2 -10.105  19.304  -2.062
   23    H    PHE   3           H        PHE   3  -5.583  12.425   1.380
   24    HA   PHE   3           HA       PHE   3  -5.635  11.436  -1.353
   25   1HB   PHE   3          1HB       PHE   3  -3.802  11.255   0.938
   26   2HB   PHE   3          2HB       PHE   3  -3.960   9.766   0.024
   27    HD1  PHE   3           HD1      PHE   3  -3.724   9.994  -2.564
   28    HD2  PHE   3           HD2      PHE   3  -2.294  12.853   0.246
   29    HE1  PHE   3           HE1      PHE   3  -2.151  10.856  -4.247
   30    HE2  PHE   3           HE2      PHE   3  -0.719  13.722  -1.432
   31    HZ   PHE   3           HZ       PHE   3  -0.647  12.723  -3.683
   32    H    ALA   4           H        ALA   4  -5.726   9.077  -1.745
   33    HA   ALA   4           HA       ALA   4  -7.064   7.401   0.178
   34   1HB   ALA   4          1HB       ALA   4  -9.040   6.969  -1.274
   35   2HB   ALA   4          2HB       ALA   4  -8.549   8.336  -2.274
   36   3HB   ALA   4          3HB       ALA   4  -9.000   8.593  -0.588
   37    H    CYS   5           H        CYS   5  -6.667   5.277  -0.209
   38    HA   CYS   5           HA       CYS   5  -4.829   4.587  -2.285
   39   1HB   CYS   5          1HB       CYS   5  -4.874   3.539  -0.001
   40   2HB   CYS   5          2HB       CYS   5  -6.346   2.704  -0.469
   41    HG   CYS   5           HG       CYS   5  -3.931   1.391  -0.808
   42    HA   PRO   6           HA       PRO   6  -7.787   3.500  -5.418
   43   1HB   PRO   6          1HB       PRO   6  -6.187   2.045  -7.042
   44   2HB   PRO   6          2HB       PRO   6  -6.068   3.804  -6.916
   45   1HG   PRO   6          1HG       PRO   6  -4.392   1.695  -5.610
   46   2HG   PRO   6          2HG       PRO   6  -3.883   3.205  -6.384
   47   1HD   PRO   6          1HD       PRO   6  -4.110   2.932  -3.692
   48   2HD   PRO   6          2HD       PRO   6  -4.388   4.473  -4.531
   49    H    GLU   7           H        GLU   7  -6.223   1.201  -3.385
   50    HA   GLU   7           HA       GLU   7  -7.887  -0.994  -4.404
   51   1HB   GLU   7          1HB       GLU   7  -5.207  -0.836  -3.305
   52   2HB   GLU   7          2HB       GLU   7  -6.186  -2.000  -2.424
   53   1HG   GLU   7          1HG       GLU   7  -6.783  -2.992  -4.676
   54   2HG   GLU   7          2HG       GLU   7  -5.503  -1.982  -5.346
   55    H    CYS   8           H        CYS   8  -6.937   0.646  -1.383
   56    HA   CYS   8           HA       CYS   8  -9.383  -0.428  -0.130
   57   1HB   CYS   8          1HB       CYS   8  -8.223  -0.376   2.010
   58   2HB   CYS   8          2HB       CYS   8  -7.324  -1.345   0.853
   59    HG   CYS   8           HG       CYS   8  -5.516   0.068   1.855
   60    HA   PRO   9           HA       PRO   9 -10.449   3.756   0.839
   61   1HB   PRO   9          1HB       PRO   9 -12.134   3.417   2.874
   62   2HB   PRO   9          2HB       PRO   9 -12.463   2.704   1.291
   63   1HG   PRO   9          1HG       PRO   9 -11.493   1.408   3.789
   64   2HG   PRO   9          2HG       PRO   9 -12.544   0.759   2.520
   65   1HD   PRO   9          1HD       PRO   9  -9.758   0.329   2.807
   66   2HD   PRO   9          2HD       PRO   9 -10.767  -0.123   1.421
   67    H    LYS  10           H        LYS  10  -7.834   3.347   1.934
   68    HA   LYS  10           HA       LYS  10  -7.945   4.260   4.687
   69   1HB   LYS  10          1HB       LYS  10  -5.482   3.943   2.967
   70   2HB   LYS  10          2HB       LYS  10  -5.553   4.081   4.700
   71   1HG   LYS  10          1HG       LYS  10  -7.040   1.834   3.501
   72   2HG   LYS  10          2HG       LYS  10  -5.277   1.754   3.464
   73   1HD   LYS  10          1HD       LYS  10  -5.163   2.003   5.857
   74   2HD   LYS  10          2HD       LYS  10  -6.905   2.267   5.950
   75   1HE   LYS  10          1HE       LYS  10  -6.567   0.024   6.589
   76   2HE   LYS  10          2HE       LYS  10  -7.171  -0.038   4.935
   77   1HZ   LYS  10          1HZ       LYS  10  -5.282  -1.542   5.343
   78   2HZ   LYS  10          2HZ       LYS  10  -4.299  -0.206   5.676
   79   3HZ   LYS  10          3HZ       LYS  10  -4.958  -0.407   4.131
   80    H    ARG  11           H        ARG  11  -7.026   6.215   5.420
   81    HA   ARG  11           HA       ARG  11  -6.627   8.323   3.416
   82   1HB   ARG  11          1HB       ARG  11  -7.993   9.859   4.909
   83   2HB   ARG  11          2HB       ARG  11  -8.897   8.677   3.976
   84   1HG   ARG  11          1HG       ARG  11  -9.500   7.471   5.825
   85   2HG   ARG  11          2HG       ARG  11  -8.087   7.975   6.752
   86   1HD   ARG  11          1HD       ARG  11  -9.928   9.071   7.740
   87   2HD   ARG  11          2HD       ARG  11  -9.099  10.294   6.781
   88    HE   ARG  11           HE       ARG  11 -10.939  10.441   5.420
   89   1HH1  ARG  11          1HH1      ARG  11 -11.246   7.583   7.423
   90   2HH1  ARG  11          2HH1      ARG  11 -12.885   7.285   6.956
   91   1HH2  ARG  11          1HH2      ARG  11 -13.099  10.043   4.814
   92   2HH2  ARG  11          2HH2      ARG  11 -13.938   8.681   5.474
   93    H    PHE  12           H        PHE  12  -4.950   9.646   3.868
   94    HA   PHE  12           HA       PHE  12  -3.936   9.710   6.630
   95   1HB   PHE  12          1HB       PHE  12  -2.168   9.418   4.227
   96   2HB   PHE  12          2HB       PHE  12  -1.660   9.412   5.900
   97    HD1  PHE  12           HD1      PHE  12  -4.186   7.572   3.851
   98    HD2  PHE  12           HD2      PHE  12  -0.985   7.344   6.642
   99    HE1  PHE  12           HE1      PHE  12  -4.382   5.141   3.861
  100    HE2  PHE  12           HE2      PHE  12  -1.182   4.887   6.657
  101    HZ   PHE  12           HZ       PHE  12  -2.889   3.785   5.249
  102    H    MET  13           H        MET  13  -2.754  11.552   7.226
  103    HA   MET  13           HA       MET  13  -3.558  13.960   5.889
  104   1HB   MET  13          1HB       MET  13  -2.420  15.125   7.689
  105   2HB   MET  13          2HB       MET  13  -3.393  13.819   8.348
  106   1HG   MET  13          1HG       MET  13  -1.340  12.432   8.490
  107   2HG   MET  13          2HG       MET  13  -0.408  13.831   7.963
  108   1HE   MET  13          1HE       MET  13  -0.785  12.729  12.109
  109   2HE   MET  13          2HE       MET  13  -0.198  11.967  10.630
  110   3HE   MET  13          3HE       MET  13  -1.924  11.966  10.997
  111    H    ARG  14           H        ARG  14  -0.677  11.984   5.969
  112    HA   ARG  14           HA       ARG  14   0.849  14.010   4.497
  113   1HB   ARG  14          1HB       ARG  14   1.662  11.424   5.826
  114   2HB   ARG  14          2HB       ARG  14   2.756  12.382   4.842
  115   1HG   ARG  14          1HG       ARG  14   2.710  14.184   6.370
  116   2HG   ARG  14          2HG       ARG  14   1.337  13.501   7.242
  117   1HD   ARG  14          1HD       ARG  14   3.376  11.547   7.250
  118   2HD   ARG  14          2HD       ARG  14   4.136  13.087   7.663
  119    HE   ARG  14           HE       ARG  14   1.698  12.460   9.104
  120   1HH1  ARG  14          1HH1      ARG  14   5.201  12.332   9.101
  121   2HH1  ARG  14          2HH1      ARG  14   5.316  12.174  10.821
  122   1HH2  ARG  14          1HH2      ARG  14   1.863  12.253  11.367
  123   2HH2  ARG  14          2HH2      ARG  14   3.424  12.130  12.105
  124    H    SER  15           H        SER  15   2.096  13.329   2.609
  125    HA   SER  15           HA       SER  15   0.495  11.609   0.887
  126   1HB   SER  15          1HB       SER  15   0.877  13.410  -0.374
  127   2HB   SER  15          2HB       SER  15   2.358  13.851   0.473
  128    HG   SER  15           HG       SER  15   3.484  12.765  -0.953
  129    H    ASP  16           H        ASP  16   3.868  11.944   1.968
  130    HA   ASP  16           HA       ASP  16   4.831   9.670   0.575
  131   1HB   ASP  16          1HB       ASP  16   6.015  11.725   1.943
  132   2HB   ASP  16          2HB       ASP  16   6.257  10.375   3.044
  133    H    HIS  17           H        HIS  17   3.860  10.157   3.967
  134    HA   HIS  17           HA       HIS  17   4.386   7.553   4.859
  135   1HB   HIS  17          1HB       HIS  17   2.688   9.803   5.814
  136   2HB   HIS  17          2HB       HIS  17   2.366   8.205   6.473
  137    HD1  HIS  17           HD1      HIS  17   3.164   9.330   8.762
  138    HD2  HIS  17           HD2      HIS  17   6.096   8.827   5.862
  139    HE1  HIS  17           HE1      HIS  17   5.350   9.575   9.968
  140    HE2  HIS  17           HE2      HIS  17   7.112   9.346   8.184
  141    H    LEU  18           H        LEU  18   1.436   8.969   3.462
  142    HA   LEU  18           HA       LEU  18  -0.233   6.741   3.754
  143   1HB   LEU  18          1HB       LEU  18  -0.924   9.041   3.090
  144   2HB   LEU  18          2HB       LEU  18  -0.270   8.744   1.500
  145    HG   LEU  18           HG       LEU  18  -2.340   6.904   2.615
  146   1HD1  LEU  18          1HD1      LEU  18  -3.991   8.407   1.383
  147   2HD1  LEU  18          2HD1      LEU  18  -2.746   9.654   1.517
  148   3HD1  LEU  18          3HD1      LEU  18  -3.428   8.931   2.968
  149   1HD2  LEU  18          1HD2      LEU  18  -2.867   7.211  -0.002
  150   2HD2  LEU  18          2HD2      LEU  18  -1.758   5.998   0.640
  151   3HD2  LEU  18          3HD2      LEU  18  -1.129   7.519   0.002
  152    H    THR  19           H        THR  19   1.879   7.712   1.062
  153    HA   THR  19           HA       THR  19   1.243   5.573  -0.617
  154    HB   THR  19           HB       THR  19   3.841   7.121  -0.448
  155    HG1  THR  19           HG1      THR  19   2.540   8.651  -1.071
  156   1HG2  THR  19          1HG2      THR  19   2.718   5.416  -2.653
  157   2HG2  THR  19          2HG2      THR  19   4.254   5.220  -1.806
  158   3HG2  THR  19          3HG2      THR  19   4.008   6.598  -2.880
  159    H    LEU  20           H        LEU  20   3.455   5.845   2.098
  160    HA   LEU  20           HA       LEU  20   4.961   3.498   1.646
  161   1HB   LEU  20          1HB       LEU  20   5.386   5.398   3.324
  162   2HB   LEU  20          2HB       LEU  20   4.246   4.572   4.368
  163    HG   LEU  20           HG       LEU  20   5.841   2.511   3.940
  164   1HD1  LEU  20          1HD1      LEU  20   8.171   3.179   3.735
  165   2HD1  LEU  20          2HD1      LEU  20   7.685   4.861   3.535
  166   3HD1  LEU  20          3HD1      LEU  20   7.252   3.668   2.312
  167   1HD2  LEU  20          1HD2      LEU  20   7.117   3.167   5.951
  168   2HD2  LEU  20          2HD2      LEU  20   5.383   3.439   6.123
  169   3HD2  LEU  20          3HD2      LEU  20   6.462   4.797   5.807
  170    H    HIS  21           H        HIS  21   1.827   4.104   3.115
  171    HA   HIS  21           HA       HIS  21   1.394   1.613   4.326
  172   1HB   HIS  21          1HB       HIS  21  -0.518   2.611   4.930
  173   2HB   HIS  21          2HB       HIS  21  -0.013   4.019   4.037
  174    HD1  HIS  21           HD1      HIS  21  -2.024   4.824   2.788
  175    HD2  HIS  21           HD2      HIS  21  -1.658   0.708   2.630
  176    HE1  HIS  21           HE1      HIS  21  -3.941   3.976   1.385
  177    H    ILE  22           H        ILE  22   0.471   2.860   1.160
  178    HA   ILE  22           HA       ILE  22  -0.965   0.696   0.247
  179    HB   ILE  22           HB       ILE  22   0.706   2.408  -1.584
  180   1HG1  ILE  22          1HG1      ILE  22  -2.096   3.136  -0.902
  181   2HG1  ILE  22          2HG1      ILE  22  -0.883   3.506   0.301
  182   1HG2  ILE  22          1HG2      ILE  22  -0.869   1.892  -3.228
  183   2HG2  ILE  22          2HG2      ILE  22  -2.066   1.370  -2.043
  184   3HG2  ILE  22          3HG2      ILE  22  -0.658   0.361  -2.378
  185   1HD1  ILE  22          1HD1      ILE  22   0.264   4.467  -1.964
  186   2HD1  ILE  22          2HD1      ILE  22  -0.677   5.411  -0.809
  187   3HD1  ILE  22          3HD1      ILE  22  -1.449   4.765  -2.256
  188    H    LEU  23           H        LEU  23   2.424   0.796   0.770
  189    HA   LEU  23           HA       LEU  23   3.232  -1.139  -1.143
  190   1HB   LEU  23          1HB       LEU  23   4.380   0.032   1.331
  191   2HB   LEU  23          2HB       LEU  23   5.010  -1.526   0.839
  192    HG   LEU  23           HG       LEU  23   5.491  -0.497  -1.423
  193   1HD1  LEU  23          1HD1      LEU  23   5.666   1.947  -1.500
  194   2HD1  LEU  23          2HD1      LEU  23   4.914   2.045   0.092
  195   3HD1  LEU  23          3HD1      LEU  23   4.000   1.413  -1.277
  196   1HD2  LEU  23          1HD2      LEU  23   7.564   0.464  -0.708
  197   2HD2  LEU  23          2HD2      LEU  23   7.183  -0.878   0.371
  198   3HD2  LEU  23          3HD2      LEU  23   6.919   0.783   0.903
  199    H    LEU  24           H        LEU  24   1.487  -1.325   1.838
  200    HA   LEU  24           HA       LEU  24   2.027  -3.913   2.724
  201   1HB   LEU  24          1HB       LEU  24  -0.646  -2.501   2.793
  202   2HB   LEU  24          2HB       LEU  24  -0.160  -3.842   3.808
  203    HG   LEU  24           HG       LEU  24   1.501  -1.382   3.948
  204   1HD1  LEU  24          1HD1      LEU  24  -0.993  -0.720   3.905
  205   2HD1  LEU  24          2HD1      LEU  24   0.008  -0.134   5.235
  206   3HD1  LEU  24          3HD1      LEU  24  -1.075  -1.504   5.484
  207   1HD2  LEU  24          1HD2      LEU  24   2.140  -3.236   5.303
  208   2HD2  LEU  24          2HD2      LEU  24   0.498  -3.431   5.915
  209   3HD2  LEU  24          3HD2      LEU  24   1.445  -2.014   6.367
  210    H    HIS  25           H        HIS  25  -0.060  -2.771   0.132
  211    HA   HIS  25           HA       HIS  25  -1.413  -5.233  -0.313
  212   1HB   HIS  25          1HB       HIS  25  -1.002  -2.967  -2.274
  213   2HB   HIS  25          2HB       HIS  25  -2.246  -4.209  -2.345
  214    HD1  HIS  25           HD1      HIS  25  -3.978  -4.115  -0.177
  215    HD2  HIS  25           HD2      HIS  25  -1.783  -0.699  -1.061
  216    HE1  HIS  25           HE1      HIS  25  -5.135  -2.198   0.999
  217    H    GLU  26           H        GLU  26   1.458  -3.724  -1.745
  218    HA   GLU  26           HA       GLU  26   1.847  -5.730  -3.731
  219   1HB   GLU  26          1HB       GLU  26   3.487  -3.469  -2.651
  220   2HB   GLU  26          2HB       GLU  26   4.259  -4.682  -3.664
  221   1HG   GLU  26          1HG       GLU  26   1.757  -3.320  -4.568
  222   2HG   GLU  26          2HG       GLU  26   3.327  -2.535  -4.744
  223    H    ASN  27           H        ASN  27   3.801  -4.978  -0.828
  224    HA   ASN  27           HA       ASN  27   5.075  -7.557  -0.901
  225   1HB   ASN  27          1HB       ASN  27   6.133  -5.375  -0.101
  226   2HB   ASN  27          2HB       ASN  27   5.182  -5.569   1.369
  227   1HD2  ASN  27          1HD2      ASN  27   7.681  -7.032  -0.625
  228   2HD2  ASN  27          2HD2      ASN  27   8.401  -7.964   0.640
  229    H    LYS  28           H        LYS  28   5.002  -9.139   0.795
  230    HA   LYS  28           HA       LYS  28   2.325  -9.550   1.795
  231   1HB   LYS  28          1HB       LYS  28   4.834 -11.177   1.696
  232   2HB   LYS  28          2HB       LYS  28   3.567 -11.638   2.825
  233   1HG   LYS  28          1HG       LYS  28   2.036 -12.073   1.110
  234   2HG   LYS  28          2HG       LYS  28   2.999 -11.203  -0.086
  235   1HD   LYS  28          1HD       LYS  28   4.209 -13.558   1.281
  236   2HD   LYS  28          2HD       LYS  28   2.999 -13.840   0.028
  237   1HE   LYS  28          1HE       LYS  28   5.323 -12.006  -0.451
  238   2HE   LYS  28          2HE       LYS  28   5.489 -13.750  -0.647
  239   1HZ   LYS  28          1HZ       LYS  28   3.633 -13.674  -2.234
  240   2HZ   LYS  28          2HZ       LYS  28   4.951 -12.746  -2.744
  241   3HZ   LYS  28          3HZ       LYS  28   3.586 -11.987  -2.094
  242    H    LYS  29           H        LYS  29   2.394  -7.608   3.167
  243    HA   LYS  29           HA       LYS  29   2.986  -8.318   5.884
  244   1HB   LYS  29          1HB       LYS  29   5.175  -7.420   4.910
  245   2HB   LYS  29          2HB       LYS  29   4.376  -5.856   4.833
  246   1HG   LYS  29          1HG       LYS  29   5.009  -5.495   6.920
  247   2HG   LYS  29          2HG       LYS  29   3.935  -6.798   7.431
  248   1HD   LYS  29          1HD       LYS  29   5.687  -8.400   7.319
  249   2HD   LYS  29          2HD       LYS  29   6.755  -7.270   6.484
  250   1HE   LYS  29          1HE       LYS  29   7.108  -5.996   8.412
  251   2HE   LYS  29          2HE       LYS  29   5.697  -6.670   9.225
  252   1HZ   LYS  29          1HZ       LYS  29   8.180  -8.170   8.587
  253   2HZ   LYS  29          2HZ       LYS  29   6.839  -8.775   9.422
  254   3HZ   LYS  29          3HZ       LYS  29   7.778  -7.548  10.109
  Start of MODEL   30
    1    H    TYR   1           H        TYR   1  -9.529  14.541   6.008
    2    HA   TYR   1           HA       TYR   1  -7.907  13.408   4.879
    3   1HB   TYR   1          1HB       TYR   1 -10.340  13.039   3.128
    4   2HB   TYR   1          2HB       TYR   1  -9.163  11.826   3.618
    5    HD1  TYR   1           HD1      TYR   1  -8.980  11.832   6.404
    6    HD2  TYR   1           HD2      TYR   1 -12.416  12.708   4.051
    7    HE1  TYR   1           HE1      TYR   1 -10.426  11.198   8.289
    8    HE2  TYR   1           HE2      TYR   1 -13.870  12.077   5.930
    9    HH   TYR   1           HH       TYR   1 -13.263  12.025   8.793
   10    H    LYS   2           H        LYS   2  -6.288  13.639   3.471
   11    HA   LYS   2           HA       LYS   2  -6.627  15.482   1.232
   12   1HB   LYS   2          1HB       LYS   2  -4.680  15.551   2.929
   13   2HB   LYS   2          2HB       LYS   2  -4.034  14.186   2.027
   14   1HG   LYS   2          1HG       LYS   2  -3.994  15.528  -0.004
   15   2HG   LYS   2          2HG       LYS   2  -4.677  16.895   0.877
   16   1HD   LYS   2          1HD       LYS   2  -2.461  17.441   0.984
   17   2HD   LYS   2          2HD       LYS   2  -2.593  16.465   2.447
   18   1HE   LYS   2          1HE       LYS   2  -0.718  15.560   1.465
   19   2HE   LYS   2          2HE       LYS   2  -1.982  14.495   0.850
   20   1HZ   LYS   2          1HZ       LYS   2  -0.961  16.852  -0.637
   21   2HZ   LYS   2          2HZ       LYS   2  -1.974  15.629  -1.221
   22   3HZ   LYS   2          3HZ       LYS   2  -0.362  15.283  -0.845
   23    H    PHE   3           H        PHE   3  -5.135  12.262   1.741
   24    HA   PHE   3           HA       PHE   3  -5.752  11.651  -1.071
   25   1HB   PHE   3          1HB       PHE   3  -3.372  11.177   0.614
   26   2HB   PHE   3          2HB       PHE   3  -3.851   9.847  -0.419
   27    HD1  PHE   3           HD1      PHE   3  -4.517  10.719  -2.915
   28    HD2  PHE   3           HD2      PHE   3  -1.776  12.567  -0.233
   29    HE1  PHE   3           HE1      PHE   3  -3.388  11.797  -4.817
   30    HE2  PHE   3           HE2      PHE   3  -0.643  13.649  -2.130
   31    HZ   PHE   3           HZ       PHE   3  -1.450  13.265  -4.426
   32    H    ALA   4           H        ALA   4  -5.756   9.174  -1.422
   33    HA   ALA   4           HA       ALA   4  -6.778   7.555   0.723
   34   1HB   ALA   4          1HB       ALA   4  -8.965   7.103  -0.306
   35   2HB   ALA   4          2HB       ALA   4  -8.642   8.345  -1.516
   36   3HB   ALA   4          3HB       ALA   4  -8.802   8.790   0.183
   37    H    CYS   5           H        CYS   5  -6.684   5.351   0.242
   38    HA   CYS   5           HA       CYS   5  -4.989   4.622  -1.925
   39   1HB   CYS   5          1HB       CYS   5  -5.275   3.469   0.388
   40   2HB   CYS   5          2HB       CYS   5  -6.608   2.622  -0.380
   41    HG   CYS   5           HG       CYS   5  -5.006   1.312  -1.786
   42    HA   PRO   6           HA       PRO   6  -8.075   3.934  -5.037
   43   1HB   PRO   6          1HB       PRO   6  -6.555   2.594  -6.821
   44   2HB   PRO   6          2HB       PRO   6  -6.363   4.326  -6.530
   45   1HG   PRO   6          1HG       PRO   6  -4.747   2.038  -5.476
   46   2HG   PRO   6          2HG       PRO   6  -4.194   3.603  -6.100
   47   1HD   PRO   6          1HD       PRO   6  -4.406   3.042  -3.444
   48   2HD   PRO   6          2HD       PRO   6  -4.590   4.676  -4.113
   49    H    GLU   7           H        GLU   7  -6.376   1.372  -3.400
   50    HA   GLU   7           HA       GLU   7  -8.198  -0.656  -4.478
   51   1HB   GLU   7          1HB       GLU   7  -5.740  -1.089  -4.522
   52   2HB   GLU   7          2HB       GLU   7  -5.739  -1.043  -2.764
   53   1HG   GLU   7          1HG       GLU   7  -7.745  -2.870  -3.643
   54   2HG   GLU   7          2HG       GLU   7  -6.227  -3.239  -4.459
   55    H    CYS   8           H        CYS   8  -6.908   0.467  -1.330
   56    HA   CYS   8           HA       CYS   8  -9.208  -0.803  -0.012
   57   1HB   CYS   8          1HB       CYS   8  -7.941  -0.730   2.029
   58   2HB   CYS   8          2HB       CYS   8  -6.917  -1.395   0.768
   59    HG   CYS   8           HG       CYS   8  -5.299   0.355   1.267
   60    HA   PRO   9           HA       PRO   9 -10.830   3.120   1.201
   61   1HB   PRO   9          1HB       PRO   9 -12.120   2.533   3.466
   62   2HB   PRO   9          2HB       PRO   9 -12.564   1.780   1.931
   63   1HG   PRO   9          1HG       PRO   9 -11.056   0.647   4.229
   64   2HG   PRO   9          2HG       PRO   9 -12.163  -0.156   3.104
   65   1HD   PRO   9          1HD       PRO   9  -9.341  -0.156   2.990
   66   2HD   PRO   9          2HD       PRO   9 -10.449  -0.738   1.738
   67    H    LYS  10           H        LYS  10  -8.008   2.975   2.020
   68    HA   LYS  10           HA       LYS  10  -7.977   4.106   4.697
   69   1HB   LYS  10          1HB       LYS  10  -5.672   3.670   2.788
   70   2HB   LYS  10          2HB       LYS  10  -5.546   4.137   4.460
   71   1HG   LYS  10          1HG       LYS  10  -6.914   1.593   3.711
   72   2HG   LYS  10          2HG       LYS  10  -5.155   1.680   3.827
   73   1HD   LYS  10          1HD       LYS  10  -5.560   1.118   5.982
   74   2HD   LYS  10          2HD       LYS  10  -5.820   2.854   6.151
   75   1HE   LYS  10          1HE       LYS  10  -7.654   1.773   7.206
   76   2HE   LYS  10          2HE       LYS  10  -8.253   2.432   5.685
   77   1HZ   LYS  10          1HZ       LYS  10  -8.198   0.283   4.700
   78   2HZ   LYS  10          2HZ       LYS  10  -8.999   0.129   6.180
   79   3HZ   LYS  10          3HZ       LYS  10  -7.397  -0.389   6.030
   80    H    ARG  11           H        ARG  11  -6.987   6.166   5.141
   81    HA   ARG  11           HA       ARG  11  -6.831   8.085   2.953
   82   1HB   ARG  11          1HB       ARG  11  -8.300   9.569   4.709
   83   2HB   ARG  11          2HB       ARG  11  -8.958   8.760   3.295
   84   1HG   ARG  11          1HG       ARG  11  -9.664   6.887   4.629
   85   2HG   ARG  11          2HG       ARG  11  -8.871   7.557   6.055
   86   1HD   ARG  11          1HD       ARG  11 -11.182   8.039   6.266
   87   2HD   ARG  11          2HD       ARG  11 -10.386   9.549   5.831
   88    HE   ARG  11           HE       ARG  11 -11.146   8.657   3.436
   89   1HH1  ARG  11          1HH1      ARG  11 -12.932   8.865   6.443
   90   2HH1  ARG  11          2HH1      ARG  11 -14.459   9.086   5.660
   91   1HH2  ARG  11          1HH2      ARG  11 -13.159   8.951   2.414
   92   2HH2  ARG  11          2HH2      ARG  11 -14.589   9.135   3.374
   93    H    PHE  12           H        PHE  12  -5.188   9.468   3.270
   94    HA   PHE  12           HA       PHE  12  -4.290   9.985   6.022
   95   1HB   PHE  12          1HB       PHE  12  -2.355   9.459   3.802
   96   2HB   PHE  12          2HB       PHE  12  -2.011   9.563   5.512
   97    HD1  PHE  12           HD1      PHE  12  -4.276   7.566   3.310
   98    HD2  PHE  12           HD2      PHE  12  -1.445   7.559   6.486
   99    HE1  PHE  12           HE1      PHE  12  -4.454   5.134   3.451
  100    HE2  PHE  12           HE2      PHE  12  -1.624   5.107   6.634
  101    HZ   PHE  12           HZ       PHE  12  -3.129   3.892   5.099
  102    H    MET  13           H        MET  13  -3.214  11.941   6.368
  103    HA   MET  13           HA       MET  13  -3.915  14.033   4.499
  104   1HB   MET  13          1HB       MET  13  -2.726  13.984   7.258
  105   2HB   MET  13          2HB       MET  13  -2.705  15.460   6.304
  106   1HG   MET  13          1HG       MET  13  -4.642  15.778   7.434
  107   2HG   MET  13          2HG       MET  13  -5.271  14.909   6.037
  108   1HE   MET  13          1HE       MET  13  -6.606  11.717   7.250
  109   2HE   MET  13          2HE       MET  13  -6.011  12.691   5.905
  110   3HE   MET  13          3HE       MET  13  -7.381  13.253   6.862
  111    H    ARG  14           H        ARG  14  -1.141  12.117   5.226
  112    HA   ARG  14           HA       ARG  14   0.662  13.970   3.845
  113   1HB   ARG  14          1HB       ARG  14   1.211  11.455   5.430
  114   2HB   ARG  14          2HB       ARG  14   2.449  12.396   4.610
  115   1HG   ARG  14          1HG       ARG  14   2.269  14.167   6.088
  116   2HG   ARG  14          2HG       ARG  14   0.652  13.696   6.614
  117   1HD   ARG  14          1HD       ARG  14   1.963  13.080   8.418
  118   2HD   ARG  14          2HD       ARG  14   1.827  11.570   7.513
  119    HE   ARG  14           HE       ARG  14   4.092  12.528   6.520
  120   1HH1  ARG  14          1HH1      ARG  14   3.017  12.364   9.850
  121   2HH1  ARG  14          2HH1      ARG  14   4.622  12.239  10.487
  122   1HH2  ARG  14          1HH2      ARG  14   6.200  12.362   7.368
  123   2HH2  ARG  14          2HH2      ARG  14   6.427  12.237   9.080
  124    H    SER  15           H        SER  15   2.067  13.153   2.159
  125    HA   SER  15           HA       SER  15   0.671  11.238   0.454
  126   1HB   SER  15          1HB       SER  15   1.289  12.525  -1.223
  127   2HB   SER  15          2HB       SER  15   1.968  13.658  -0.059
  128    HG   SER  15           HG       SER  15   3.942  12.932  -0.479
  129    H    ASP  16           H        ASP  16   3.882  11.768   1.878
  130    HA   ASP  16           HA       ASP  16   5.052   9.434   0.753
  131   1HB   ASP  16          1HB       ASP  16   6.005  11.635   2.129
  132   2HB   ASP  16          2HB       ASP  16   6.246  10.315   3.268
  133    H    HIS  17           H        HIS  17   3.776  10.140   4.016
  134    HA   HIS  17           HA       HIS  17   4.261   7.584   5.090
  135   1HB   HIS  17          1HB       HIS  17   2.606   9.919   5.843
  136   2HB   HIS  17          2HB       HIS  17   2.088   8.369   6.494
  137    HD1  HIS  17           HD1      HIS  17   2.729   9.183   8.871
  138    HD2  HIS  17           HD2      HIS  17   5.911   8.974   6.209
  139    HE1  HIS  17           HE1      HIS  17   4.793   9.371  10.277
  140    HE2  HIS  17           HE2      HIS  17   6.713   9.144   8.663
  141    H    LEU  18           H        LEU  18   1.435   8.931   3.418
  142    HA   LEU  18           HA       LEU  18  -0.291   6.752   3.720
  143   1HB   LEU  18          1HB       LEU  18  -0.885   9.008   2.856
  144   2HB   LEU  18          2HB       LEU  18  -0.091   8.608   1.355
  145    HG   LEU  18           HG       LEU  18  -2.313   6.893   2.382
  146   1HD1  LEU  18          1HD1      LEU  18  -2.496   9.579   1.108
  147   2HD1  LEU  18          2HD1      LEU  18  -3.440   8.903   2.432
  148   3HD1  LEU  18          3HD1      LEU  18  -3.726   8.358   0.780
  149   1HD2  LEU  18          1HD2      LEU  18  -2.505   7.084  -0.329
  150   2HD2  LEU  18          2HD2      LEU  18  -1.674   5.798   0.551
  151   3HD2  LEU  18          3HD2      LEU  18  -0.763   7.177  -0.071
  152    H    THR  19           H        THR  19   2.037   7.517   1.135
  153    HA   THR  19           HA       THR  19   1.495   5.270  -0.436
  154    HB   THR  19           HB       THR  19   4.047   6.879  -0.180
  155    HG1  THR  19           HG1      THR  19   2.711   8.251  -1.082
  156   1HG2  THR  19          1HG2      THR  19   4.716   4.892  -1.254
  157   2HG2  THR  19          2HG2      THR  19   4.465   6.083  -2.530
  158   3HG2  THR  19          3HG2      THR  19   3.249   4.839  -2.232
  159    H    LEU  20           H        LEU  20   3.520   5.714   2.401
  160    HA   LEU  20           HA       LEU  20   5.048   3.357   2.230
  161   1HB   LEU  20          1HB       LEU  20   5.317   5.324   3.844
  162   2HB   LEU  20          2HB       LEU  20   4.055   4.574   4.803
  163    HG   LEU  20           HG       LEU  20   5.841   2.504   4.426
  164   1HD1  LEU  20          1HD1      LEU  20   7.414   5.026   4.931
  165   2HD1  LEU  20          2HD1      LEU  20   7.469   4.064   3.454
  166   3HD1  LEU  20          3HD1      LEU  20   8.034   3.376   4.977
  167   1HD2  LEU  20          1HD2      LEU  20   4.679   3.026   6.491
  168   2HD2  LEU  20          2HD2      LEU  20   5.664   4.472   6.706
  169   3HD2  LEU  20          3HD2      LEU  20   6.410   2.876   6.787
  170    H    HIS  21           H        HIS  21   1.799   4.008   3.416
  171    HA   HIS  21           HA       HIS  21   1.269   1.543   4.645
  172   1HB   HIS  21          1HB       HIS  21  -0.681   2.566   5.088
  173   2HB   HIS  21          2HB       HIS  21  -0.096   3.954   4.217
  174    HD1  HIS  21           HD1      HIS  21  -1.940   4.762   2.744
  175    HD2  HIS  21           HD2      HIS  21  -1.708   0.634   2.805
  176    HE1  HIS  21           HE1      HIS  21  -3.770   3.907   1.228
  177    H    ILE  22           H        ILE  22   0.559   2.733   1.401
  178    HA   ILE  22           HA       ILE  22  -0.782   0.528   0.421
  179    HB   ILE  22           HB       ILE  22   0.983   2.259  -1.301
  180   1HG1  ILE  22          1HG1      ILE  22  -1.878   2.923  -0.826
  181   2HG1  ILE  22          2HG1      ILE  22  -0.747   3.352   0.437
  182   1HG2  ILE  22          1HG2      ILE  22  -0.309   1.595  -3.072
  183   2HG2  ILE  22          2HG2      ILE  22  -1.724   1.296  -2.060
  184   3HG2  ILE  22          3HG2      ILE  22  -0.394   0.136  -2.084
  185   1HD1  ILE  22          1HD1      ILE  22   0.459   4.243  -1.876
  186   2HD1  ILE  22          2HD1      ILE  22  -0.408   5.215  -0.688
  187   3HD1  ILE  22          3HD1      ILE  22  -1.253   4.598  -2.107
  188    H    LEU  23           H        LEU  23   2.545   0.693   1.205
  189    HA   LEU  23           HA       LEU  23   3.687  -1.079  -0.622
  190   1HB   LEU  23          1HB       LEU  23   4.247  -0.473   2.265
  191   2HB   LEU  23          2HB       LEU  23   5.144  -1.725   1.429
  192    HG   LEU  23           HG       LEU  23   5.002   1.112   0.422
  193   1HD1  LEU  23          1HD1      LEU  23   7.136   1.521   1.463
  194   2HD1  LEU  23          2HD1      LEU  23   7.161  -0.111   2.134
  195   3HD1  LEU  23          3HD1      LEU  23   5.964   1.056   2.696
  196   1HD2  LEU  23          1HD2      LEU  23   6.836  -1.210  -0.161
  197   2HD2  LEU  23          2HD2      LEU  23   7.069   0.432  -0.762
  198   3HD2  LEU  23          3HD2      LEU  23   5.649  -0.494  -1.252
  199    H    LEU  24           H        LEU  24   1.515  -1.627   2.069
  200    HA   LEU  24           HA       LEU  24   1.851  -4.336   2.578
  201   1HB   LEU  24          1HB       LEU  24  -0.841  -2.982   2.414
  202   2HB   LEU  24          2HB       LEU  24  -0.409  -4.371   3.388
  203    HG   LEU  24           HG       LEU  24   1.101  -1.897   3.964
  204   1HD1  LEU  24          1HD1      LEU  24  -1.744  -2.124   4.913
  205   2HD1  LEU  24          2HD1      LEU  24  -1.294  -1.168   3.500
  206   3HD1  LEU  24          3HD1      LEU  24  -0.635  -0.765   5.086
  207   1HD2  LEU  24          1HD2      LEU  24   0.789  -2.658   6.251
  208   2HD2  LEU  24          2HD2      LEU  24   1.391  -3.971   5.239
  209   3HD2  LEU  24          3HD2      LEU  24  -0.311  -3.920   5.698
  210    H    HIS  25           H        HIS  25  -0.262  -2.791   0.170
  211    HA   HIS  25           HA       HIS  25  -1.231  -5.184  -0.981
  212   1HB   HIS  25          1HB       HIS  25  -1.000  -2.554  -2.441
  213   2HB   HIS  25          2HB       HIS  25  -2.195  -3.825  -2.674
  214    HD1  HIS  25           HD1      HIS  25  -3.604  -4.211  -0.171
  215    HD2  HIS  25           HD2      HIS  25  -2.081  -0.480  -1.171
  216    HE1  HIS  25           HE1      HIS  25  -4.876  -2.526   1.221
  217    H    GLU  26           H        GLU  26   1.533  -3.116  -1.717
  218    HA   GLU  26           HA       GLU  26   2.315  -4.126  -4.172
  219   1HB   GLU  26          1HB       GLU  26   3.317  -2.192  -2.831
  220   2HB   GLU  26          2HB       GLU  26   4.272  -3.407  -1.995
  221   1HG   GLU  26          1HG       GLU  26   4.788  -4.067  -4.557
  222   2HG   GLU  26          2HG       GLU  26   4.533  -2.330  -4.718
  223    H    ASN  27           H        ASN  27   2.894  -5.445  -0.938
  224    HA   ASN  27           HA       ASN  27   4.599  -7.559  -1.861
  225   1HB   ASN  27          1HB       ASN  27   4.510  -6.503   0.499
  226   2HB   ASN  27          2HB       ASN  27   3.130  -7.562   0.768
  227   1HD2  ASN  27          1HD2      ASN  27   6.532  -7.319   0.590
  228   2HD2  ASN  27          2HD2      ASN  27   6.895  -8.976   0.919
  229    H    LYS  28           H        LYS  28   3.292  -8.458  -3.542
  230    HA   LYS  28           HA       LYS  28   1.708 -10.670  -2.685
  231   1HB   LYS  28          1HB       LYS  28   0.283  -8.317  -2.928
  232   2HB   LYS  28          2HB       LYS  28   0.034  -9.084  -4.489
  233   1HG   LYS  28          1HG       LYS  28  -1.195 -10.778  -3.621
  234   2HG   LYS  28          2HG       LYS  28  -0.320 -10.778  -2.089
  235   1HD   LYS  28          1HD       LYS  28  -1.945  -8.378  -2.691
  236   2HD   LYS  28          2HD       LYS  28  -2.829  -9.867  -2.349
  237   1HE   LYS  28          1HE       LYS  28  -2.611  -9.196  -0.209
  238   2HE   LYS  28          2HE       LYS  28  -1.012  -9.923  -0.358
  239   1HZ   LYS  28          1HZ       LYS  28  -1.637  -7.051  -0.788
  240   2HZ   LYS  28          2HZ       LYS  28  -0.102  -7.755  -0.883
  241   3HZ   LYS  28          3HZ       LYS  28  -0.916  -7.698   0.598
  242    H    LYS  29           H        LYS  29   0.520 -11.602  -4.798
  243    HA   LYS  29           HA       LYS  29   2.557 -12.359  -6.569
  244   1HB   LYS  29          1HB       LYS  29   0.771 -13.412  -7.898
  245   2HB   LYS  29          2HB       LYS  29   0.613 -13.766  -6.184
  246   1HG   LYS  29          1HG       LYS  29  -1.454 -12.981  -6.182
  247   2HG   LYS  29          2HG       LYS  29  -0.896 -11.418  -6.781
  248   1HD   LYS  29          1HD       LYS  29  -1.171 -13.688  -8.698
  249   2HD   LYS  29          2HD       LYS  29  -2.625 -12.853  -8.148
  250   1HE   LYS  29          1HE       LYS  29  -1.551 -10.703  -8.844
  251   2HE   LYS  29          2HE       LYS  29  -0.244 -11.651  -9.553
  252   1HZ   LYS  29          1HZ       LYS  29  -1.886 -11.041 -11.210
  253   2HZ   LYS  29          2HZ       LYS  29  -3.109 -11.804 -10.325
  254   3HZ   LYS  29          3HZ       LYS  29  -1.859 -12.721 -11.001
  Start of MODEL   31
    1    H    TYR   1           H        TYR   1 -11.015  14.095   4.188
    2    HA   TYR   1           HA       TYR   1  -8.348  13.577   5.320
    3   1HB   TYR   1          1HB       TYR   1  -8.430  11.434   4.297
    4   2HB   TYR   1          2HB       TYR   1  -9.940  11.602   5.182
    5    HD1  TYR   1           HD1      TYR   1  -8.400  11.383   1.873
    6    HD2  TYR   1           HD2      TYR   1 -12.061  11.829   3.993
    7    HE1  TYR   1           HE1      TYR   1  -9.645  10.850  -0.180
    8    HE2  TYR   1           HE2      TYR   1 -13.317  11.300   1.947
    9    HH   TYR   1           HH       TYR   1 -12.421   9.798  -0.425
   10    H    LYS   2           H        LYS   2  -6.696  13.432   3.681
   11    HA   LYS   2           HA       LYS   2  -7.202  15.278   1.474
   12   1HB   LYS   2          1HB       LYS   2  -5.292  15.728   2.965
   13   2HB   LYS   2          2HB       LYS   2  -4.587  14.179   2.523
   14   1HG   LYS   2          1HG       LYS   2  -3.729  14.984   0.631
   15   2HG   LYS   2          2HG       LYS   2  -5.214  15.842   0.216
   16   1HD   LYS   2          1HD       LYS   2  -4.025  17.700   0.625
   17   2HD   LYS   2          2HD       LYS   2  -4.280  17.308   2.326
   18   1HE   LYS   2          1HE       LYS   2  -2.116  15.781   1.785
   19   2HE   LYS   2          2HE       LYS   2  -1.844  17.124   0.676
   20   1HZ   LYS   2          1HZ       LYS   2  -2.334  17.401   3.594
   21   2HZ   LYS   2          2HZ       LYS   2  -1.984  18.657   2.515
   22   3HZ   LYS   2          3HZ       LYS   2  -0.816  17.481   2.852
   23    H    PHE   3           H        PHE   3  -5.233  12.300   1.824
   24    HA   PHE   3           HA       PHE   3  -5.886  11.644  -0.957
   25   1HB   PHE   3          1HB       PHE   3  -3.550  11.136   0.818
   26   2HB   PHE   3          2HB       PHE   3  -3.921   9.947  -0.410
   27    HD1  PHE   3           HD1      PHE   3  -4.177  10.811  -2.832
   28    HD2  PHE   3           HD2      PHE   3  -2.293  13.005   0.292
   29    HE1  PHE   3           HE1      PHE   3  -3.001  12.178  -4.505
   30    HE2  PHE   3           HE2      PHE   3  -1.115  14.376  -1.377
   31    HZ   PHE   3           HZ       PHE   3  -1.468  13.964  -3.779
   32    H    ALA   4           H        ALA   4  -5.999   9.282  -1.460
   33    HA   ALA   4           HA       ALA   4  -6.921   7.545   0.672
   34   1HB   ALA   4          1HB       ALA   4  -9.108   7.655   0.295
   35   2HB   ALA   4          2HB       ALA   4  -8.876   7.392  -1.434
   36   3HB   ALA   4          3HB       ALA   4  -8.806   9.025  -0.773
   37    H    CYS   5           H        CYS   5  -6.713   5.368   0.186
   38    HA   CYS   5           HA       CYS   5  -4.956   4.697  -1.947
   39   1HB   CYS   5          1HB       CYS   5  -5.182   3.519   0.321
   40   2HB   CYS   5          2HB       CYS   5  -6.575   2.705  -0.370
   41    HG   CYS   5           HG       CYS   5  -3.713   2.356  -1.541
   42    HA   PRO   6           HA       PRO   6  -7.951   3.951  -5.142
   43   1HB   PRO   6          1HB       PRO   6  -6.387   2.581  -6.867
   44   2HB   PRO   6          2HB       PRO   6  -6.213   4.321  -6.607
   45   1HG   PRO   6          1HG       PRO   6  -4.612   2.065  -5.459
   46   2HG   PRO   6          2HG       PRO   6  -4.049   3.611  -6.119
   47   1HD   PRO   6          1HD       PRO   6  -4.300   3.148  -3.456
   48   2HD   PRO   6          2HD       PRO   6  -4.520   4.755  -4.180
   49    H    GLU   7           H        GLU   7  -6.314   1.417  -3.407
   50    HA   GLU   7           HA       GLU   7  -8.112  -0.615  -4.521
   51   1HB   GLU   7          1HB       GLU   7  -5.659  -1.061  -4.517
   52   2HB   GLU   7          2HB       GLU   7  -5.689  -1.006  -2.760
   53   1HG   GLU   7          1HG       GLU   7  -7.694  -2.822  -3.660
   54   2HG   GLU   7          2HG       GLU   7  -6.168  -3.206  -4.455
   55    H    CYS   8           H        CYS   8  -6.885   0.534  -1.360
   56    HA   CYS   8           HA       CYS   8  -9.235  -0.700  -0.089
   57   1HB   CYS   8          1HB       CYS   8  -8.002  -0.667   1.980
   58   2HB   CYS   8          2HB       CYS   8  -6.992  -1.379   0.733
   59    HG   CYS   8           HG       CYS   8  -6.524   1.589   1.458
   60    HA   PRO   9           HA       PRO   9 -10.762   3.263   1.121
   61   1HB   PRO   9          1HB       PRO   9 -12.108   2.706   3.359
   62   2HB   PRO   9          2HB       PRO   9 -12.545   1.966   1.816
   63   1HG   PRO   9          1HG       PRO   9 -11.098   0.794   4.136
   64   2HG   PRO   9          2HG       PRO   9 -12.217   0.023   3.002
   65   1HD   PRO   9          1HD       PRO   9  -9.399  -0.067   2.917
   66   2HD   PRO   9          2HD       PRO   9 -10.510  -0.606   1.647
   67    H    LYS  10           H        LYS  10  -7.956   2.994   2.011
   68    HA   LYS  10           HA       LYS  10  -7.926   4.127   4.685
   69   1HB   LYS  10          1HB       LYS  10  -5.619   3.676   2.787
   70   2HB   LYS  10          2HB       LYS  10  -5.494   4.105   4.467
   71   1HG   LYS  10          1HG       LYS  10  -6.990   1.637   3.816
   72   2HG   LYS  10          2HG       LYS  10  -5.236   1.614   3.627
   73   1HD   LYS  10          1HD       LYS  10  -5.313   2.716   6.027
   74   2HD   LYS  10          2HD       LYS  10  -6.882   1.908   6.089
   75   1HE   LYS  10          1HE       LYS  10  -4.318   0.508   5.355
   76   2HE   LYS  10          2HE       LYS  10  -4.943   0.587   7.001
   77   1HZ   LYS  10          1HZ       LYS  10  -6.993  -0.485   6.179
   78   2HZ   LYS  10          2HZ       LYS  10  -5.623  -1.461   6.003
   79   3HZ   LYS  10          3HZ       LYS  10  -6.270  -0.665   4.659
   80    H    ARG  11           H        ARG  11  -7.030   6.180   5.165
   81    HA   ARG  11           HA       ARG  11  -6.786   8.087   2.969
   82   1HB   ARG  11          1HB       ARG  11  -8.496   8.671   5.376
   83   2HB   ARG  11          2HB       ARG  11  -8.304   9.645   3.936
   84   1HG   ARG  11          1HG       ARG  11  -9.582   8.172   2.626
   85   2HG   ARG  11          2HG       ARG  11  -9.499   6.898   3.843
   86   1HD   ARG  11          1HD       ARG  11 -10.760   9.513   4.540
   87   2HD   ARG  11          2HD       ARG  11 -11.663   8.349   3.575
   88    HE   ARG  11           HE       ARG  11 -11.695   6.879   5.400
   89   1HH1  ARG  11          1HH1      ARG  11 -10.044   9.871   6.188
   90   2HH1  ARG  11          2HH1      ARG  11 -10.108   9.595   7.894
   91   1HH2  ARG  11          1HH2      ARG  11 -11.770   6.528   7.648
   92   2HH2  ARG  11          2HH2      ARG  11 -11.085   7.701   8.723
   93    H    PHE  12           H        PHE  12  -5.212   9.566   3.292
   94    HA   PHE  12           HA       PHE  12  -4.205  10.017   6.007
   95   1HB   PHE  12          1HB       PHE  12  -2.315   9.451   3.757
   96   2HB   PHE  12          2HB       PHE  12  -1.941   9.560   5.461
   97    HD1  PHE  12           HD1      PHE  12  -4.242   7.568   3.292
   98    HD2  PHE  12           HD2      PHE  12  -1.391   7.561   6.450
   99    HE1  PHE  12           HE1      PHE  12  -4.430   5.138   3.443
  100    HE2  PHE  12           HE2      PHE  12  -1.582   5.111   6.609
  101    HZ   PHE  12           HZ       PHE  12  -3.101   3.896   5.090
  102    H    MET  13           H        MET  13  -3.298  12.015   6.363
  103    HA   MET  13           HA       MET  13  -3.872  14.040   4.385
  104   1HB   MET  13          1HB       MET  13  -3.219  15.641   6.094
  105   2HB   MET  13          2HB       MET  13  -4.316  14.449   6.774
  106   1HG   MET  13          1HG       MET  13  -2.645  13.436   8.025
  107   2HG   MET  13          2HG       MET  13  -1.356  14.119   7.036
  108   1HE   MET  13          1HE       MET  13  -4.479  15.441   9.075
  109   2HE   MET  13          2HE       MET  13  -3.642  16.210  10.424
  110   3HE   MET  13          3HE       MET  13  -3.509  14.469  10.181
  111    H    ARG  14           H        ARG  14  -1.209  12.071   5.160
  112    HA   ARG  14           HA       ARG  14   0.741  13.939   4.018
  113   1HB   ARG  14          1HB       ARG  14   1.282  11.215   5.210
  114   2HB   ARG  14          2HB       ARG  14   2.447  12.487   4.878
  115   1HG   ARG  14          1HG       ARG  14   2.231  12.816   7.100
  116   2HG   ARG  14          2HG       ARG  14   0.876  13.815   6.570
  117   1HD   ARG  14          1HD       ARG  14  -0.513  12.552   7.759
  118   2HD   ARG  14          2HD       ARG  14  -0.061  11.150   6.786
  119    HE   ARG  14           HE       ARG  14   1.196  10.393   8.534
  120   1HH1  ARG  14          1HH1      ARG  14   0.500  13.782   9.076
  121   2HH1  ARG  14          2HH1      ARG  14   1.169  13.790  10.672
  122   1HH2  ARG  14          1HH2      ARG  14   2.071  10.410  10.638
  123   2HH2  ARG  14          2HH2      ARG  14   2.061  11.877  11.560
  124    H    SER  15           H        SER  15   2.199  13.177   2.342
  125    HA   SER  15           HA       SER  15   0.808  11.450   0.443
  126   1HB   SER  15          1HB       SER  15   1.380  13.151  -0.860
  127   2HB   SER  15          2HB       SER  15   2.644  13.715   0.230
  128    HG   SER  15           HG       SER  15   2.792  11.963  -1.932
  129    H    ASP  16           H        ASP  16   4.086  11.836   1.799
  130    HA   ASP  16           HA       ASP  16   5.116   9.459   0.664
  131   1HB   ASP  16          1HB       ASP  16   6.619  11.212   1.359
  132   2HB   ASP  16          2HB       ASP  16   6.050  11.088   3.017
  133    H    HIS  17           H        HIS  17   3.914  10.188   3.938
  134    HA   HIS  17           HA       HIS  17   4.337   7.639   5.029
  135   1HB   HIS  17          1HB       HIS  17   2.439   9.866   5.727
  136   2HB   HIS  17          2HB       HIS  17   2.423   8.343   6.602
  137    HD1  HIS  17           HD1      HIS  17   3.138   9.698   8.729
  138    HD2  HIS  17           HD2      HIS  17   5.923   9.679   5.647
  139    HE1  HIS  17           HE1      HIS  17   5.265  10.547   9.743
  140    HE2  HIS  17           HE2      HIS  17   6.917  10.613   7.844
  141    H    LEU  18           H        LEU  18   1.531   9.001   3.324
  142    HA   LEU  18           HA       LEU  18  -0.218   6.842   3.686
  143   1HB   LEU  18          1HB       LEU  18  -0.806   9.092   2.793
  144   2HB   LEU  18          2HB       LEU  18  -0.039   8.659   1.287
  145    HG   LEU  18           HG       LEU  18  -2.250   6.969   2.377
  146   1HD1  LEU  18          1HD1      LEU  18  -2.440   9.674   1.180
  147   2HD1  LEU  18          2HD1      LEU  18  -3.446   8.909   2.408
  148   3HD1  LEU  18          3HD1      LEU  18  -3.635   8.463   0.713
  149   1HD2  LEU  18          1HD2      LEU  18  -1.675   5.854   0.541
  150   2HD2  LEU  18          2HD2      LEU  18  -0.741   7.209  -0.100
  151   3HD2  LEU  18          3HD2      LEU  18  -2.488   7.153  -0.339
  152    H    THR  19           H        THR  19   2.127   7.539   1.106
  153    HA   THR  19           HA       THR  19   1.550   5.294  -0.455
  154    HB   THR  19           HB       THR  19   4.173   6.785  -0.205
  155    HG1  THR  19           HG1      THR  19   2.962   8.295  -1.032
  156   1HG2  THR  19          1HG2      THR  19   4.640   4.788  -1.386
  157   2HG2  THR  19          2HG2      THR  19   4.484   6.073  -2.583
  158   3HG2  THR  19          3HG2      THR  19   3.163   4.930  -2.342
  159    H    LEU  20           H        LEU  20   3.563   5.726   2.389
  160    HA   LEU  20           HA       LEU  20   5.069   3.358   2.252
  161   1HB   LEU  20          1HB       LEU  20   5.356   5.305   3.856
  162   2HB   LEU  20          2HB       LEU  20   4.031   4.631   4.783
  163    HG   LEU  20           HG       LEU  20   5.564   2.459   4.719
  164   1HD1  LEU  20          1HD1      LEU  20   7.277   3.493   3.304
  165   2HD1  LEU  20          2HD1      LEU  20   7.916   3.022   4.879
  166   3HD1  LEU  20          3HD1      LEU  20   7.556   4.716   4.544
  167   1HD2  LEU  20          1HD2      LEU  20   6.456   3.133   6.894
  168   2HD2  LEU  20          2HD2      LEU  20   4.758   3.577   6.728
  169   3HD2  LEU  20          3HD2      LEU  20   6.011   4.807   6.560
  170    H    HIS  21           H        HIS  21   1.806   4.021   3.386
  171    HA   HIS  21           HA       HIS  21   1.255   1.559   4.614
  172   1HB   HIS  21          1HB       HIS  21  -0.692   2.589   5.041
  173   2HB   HIS  21          2HB       HIS  21  -0.094   3.975   4.171
  174    HD1  HIS  21           HD1      HIS  21  -1.935   4.788   2.702
  175    HD2  HIS  21           HD2      HIS  21  -1.712   0.660   2.740
  176    HE1  HIS  21           HE1      HIS  21  -3.768   3.946   1.187
  177    H    ILE  22           H        ILE  22   0.577   2.746   1.364
  178    HA   ILE  22           HA       ILE  22  -0.778   0.555   0.381
  179    HB   ILE  22           HB       ILE  22   1.018   2.254  -1.339
  180   1HG1  ILE  22          1HG1      ILE  22  -1.832   2.972  -0.889
  181   2HG1  ILE  22          2HG1      ILE  22  -0.717   3.369   0.398
  182   1HG2  ILE  22          1HG2      ILE  22  -0.315   1.628  -3.107
  183   2HG2  ILE  22          2HG2      ILE  22  -1.707   1.299  -2.072
  184   3HG2  ILE  22          3HG2      ILE  22  -0.364   0.156  -2.137
  185   1HD1  ILE  22          1HD1      ILE  22  -1.143   4.635  -2.156
  186   2HD1  ILE  22          2HD1      ILE  22   0.557   4.268  -1.863
  187   3HD1  ILE  22          3HD1      ILE  22  -0.349   5.240  -0.704
  188    H    LEU  23           H        LEU  23   2.543   0.665   1.187
  189    HA   LEU  23           HA       LEU  23   3.640  -1.156  -0.636
  190   1HB   LEU  23          1HB       LEU  23   4.271  -0.402   2.191
  191   2HB   LEU  23          2HB       LEU  23   5.096  -1.765   1.461
  192    HG   LEU  23           HG       LEU  23   5.074   0.918   0.109
  193   1HD1  LEU  23          1HD1      LEU  23   6.952  -0.024   2.269
  194   2HD1  LEU  23          2HD1      LEU  23   5.905   1.395   2.306
  195   3HD1  LEU  23          3HD1      LEU  23   7.271   1.336   1.192
  196   1HD2  LEU  23          1HD2      LEU  23   7.115   0.089  -0.907
  197   2HD2  LEU  23          2HD2      LEU  23   5.797  -1.053  -1.166
  198   3HD2  LEU  23          3HD2      LEU  23   7.022  -1.384   0.058
  199    H    LEU  24           H        LEU  24   1.469  -1.614   2.062
  200    HA   LEU  24           HA       LEU  24   1.830  -4.313   2.655
  201   1HB   LEU  24          1HB       LEU  24  -0.867  -2.965   2.517
  202   2HB   LEU  24          2HB       LEU  24  -0.405  -4.320   3.524
  203    HG   LEU  24           HG       LEU  24   1.112  -1.827   3.987
  204   1HD1  LEU  24          1HD1      LEU  24  -1.283  -1.099   3.540
  205   2HD1  LEU  24          2HD1      LEU  24  -0.605  -0.657   5.107
  206   3HD1  LEU  24          3HD1      LEU  24  -1.721  -2.017   4.982
  207   1HD2  LEU  24          1HD2      LEU  24  -0.275  -3.788   5.812
  208   2HD2  LEU  24          2HD2      LEU  24   0.834  -2.508   6.306
  209   3HD2  LEU  24          3HD2      LEU  24   1.420  -3.855   5.330
  210    H    HIS  25           H        HIS  25  -0.185  -2.803   0.155
  211    HA   HIS  25           HA       HIS  25  -1.299  -5.208  -0.842
  212   1HB   HIS  25          1HB       HIS  25  -0.967  -2.644  -2.399
  213   2HB   HIS  25          2HB       HIS  25  -2.190  -3.891  -2.620
  214    HD1  HIS  25           HD1      HIS  25  -3.599  -4.193  -0.084
  215    HD2  HIS  25           HD2      HIS  25  -2.058  -0.510  -1.233
  216    HE1  HIS  25           HE1      HIS  25  -4.859  -2.449   1.241
  217    H    GLU  26           H        GLU  26   1.612  -3.393  -1.669
  218    HA   GLU  26           HA       GLU  26   2.262  -4.477  -4.118
  219   1HB   GLU  26          1HB       GLU  26   3.816  -3.344  -1.865
  220   2HB   GLU  26          2HB       GLU  26   4.722  -4.296  -3.031
  221   1HG   GLU  26          1HG       GLU  26   4.900  -2.132  -3.834
  222   2HG   GLU  26          2HG       GLU  26   3.605  -2.827  -4.808
  223    H    ASN  27           H        ASN  27   2.875  -5.861  -0.902
  224    HA   ASN  27           HA       ASN  27   3.088  -8.495  -2.125
  225   1HB   ASN  27          1HB       ASN  27   5.390  -7.052  -1.275
  226   2HB   ASN  27          2HB       ASN  27   5.139  -8.373  -0.137
  227   1HD2  ASN  27          1HD2      ASN  27   5.650  -7.552  -3.505
  228   2HD2  ASN  27          2HD2      ASN  27   6.218  -9.109  -3.993
  229    H    LYS  28           H        LYS  28   1.827  -9.838  -1.030
  230    HA   LYS  28           HA       LYS  28   1.687  -9.654   1.882
  231   1HB   LYS  28          1HB       LYS  28  -0.747  -9.736   1.912
  232   2HB   LYS  28          2HB       LYS  28  -0.196  -8.303   1.058
  233   1HG   LYS  28          1HG       LYS  28  -1.665  -8.900  -0.509
  234   2HG   LYS  28          2HG       LYS  28  -0.464 -10.104  -0.979
  235   1HD   LYS  28          1HD       LYS  28  -1.554 -11.811   0.235
  236   2HD   LYS  28          2HD       LYS  28  -2.553 -10.652   1.114
  237   1HE   LYS  28          1HE       LYS  28  -2.777 -10.698  -1.846
  238   2HE   LYS  28          2HE       LYS  28  -3.471 -12.051  -0.954
  239   1HZ   LYS  28          1HZ       LYS  28  -4.780 -10.481   0.338
  240   2HZ   LYS  28          2HZ       LYS  28  -5.097 -10.306  -1.314
  241   3HZ   LYS  28          3HZ       LYS  28  -4.112  -9.183  -0.520
  242    H    LYS  29           H        LYS  29   1.465 -11.590   2.896
  243    HA   LYS  29           HA       LYS  29   0.462 -13.928   1.576
  244   1HB   LYS  29          1HB       LYS  29   2.676 -15.194   1.951
  245   2HB   LYS  29          2HB       LYS  29   2.539 -14.164   0.534
  246   1HG   LYS  29          1HG       LYS  29   3.923 -12.513   1.462
  247   2HG   LYS  29          2HG       LYS  29   3.781 -13.189   3.086
  248   1HD   LYS  29          1HD       LYS  29   5.066 -15.129   2.434
  249   2HD   LYS  29          2HD       LYS  29   5.114 -14.575   0.760
  250   1HE   LYS  29          1HE       LYS  29   6.471 -12.696   1.351
  251   2HE   LYS  29          2HE       LYS  29   6.272 -13.027   3.071
  252   1HZ   LYS  29          1HZ       LYS  29   7.677 -14.788   1.132
  253   2HZ   LYS  29          2HZ       LYS  29   7.504 -15.082   2.788
  254   3HZ   LYS  29          3HZ       LYS  29   8.426 -13.769   2.256
  Start of MODEL   32
    1    H    TYR   1           H        TYR   1 -10.226  14.358   4.101
    2    HA   TYR   1           HA       TYR   1  -7.296  14.099   4.061
    3   1HB   TYR   1          1HB       TYR   1  -9.638  12.205   4.252
    4   2HB   TYR   1          2HB       TYR   1  -8.039  11.652   3.764
    5    HD1  TYR   1           HD1      TYR   1 -10.025  13.033   6.536
    6    HD2  TYR   1           HD2      TYR   1  -6.255  11.449   5.363
    7    HE1  TYR   1           HE1      TYR   1  -9.392  12.807   8.900
    8    HE2  TYR   1           HE2      TYR   1  -5.611  11.217   7.724
    9    HH   TYR   1           HH       TYR   1  -7.485  11.062  10.135
   10    H    LYS   2           H        LYS   2  -6.607  14.781   2.117
   11    HA   LYS   2           HA       LYS   2  -8.210  14.414  -0.267
   12   1HB   LYS   2          1HB       LYS   2  -5.535  15.693   0.259
   13   2HB   LYS   2          2HB       LYS   2  -6.159  15.476  -1.370
   14   1HG   LYS   2          1HG       LYS   2  -8.250  16.707  -0.480
   15   2HG   LYS   2          2HG       LYS   2  -7.182  17.227   0.824
   16   1HD   LYS   2          1HD       LYS   2  -5.660  18.225  -0.777
   17   2HD   LYS   2          2HD       LYS   2  -6.639  17.626  -2.117
   18   1HE   LYS   2          1HE       LYS   2  -8.406  19.091  -1.627
   19   2HE   LYS   2          2HE       LYS   2  -7.785  19.434  -0.013
   20   1HZ   LYS   2          1HZ       LYS   2  -5.926  20.609  -1.016
   21   2HZ   LYS   2          2HZ       LYS   2  -7.394  21.277  -1.523
   22   3HZ   LYS   2          3HZ       LYS   2  -6.517  20.275  -2.566
   23    H    PHE   3           H        PHE   3  -5.624  12.749   1.338
   24    HA   PHE   3           HA       PHE   3  -4.835  11.286  -1.028
   25   1HB   PHE   3          1HB       PHE   3  -3.943  10.861   1.824
   26   2HB   PHE   3          2HB       PHE   3  -3.155  10.318   0.370
   27    HD1  PHE   3           HD1      PHE   3  -2.112  11.991  -1.179
   28    HD2  PHE   3           HD2      PHE   3  -3.516  13.009   2.705
   29    HE1  PHE   3           HE1      PHE   3  -0.762  14.046  -1.233
   30    HE2  PHE   3           HE2      PHE   3  -2.167  15.065   2.660
   31    HZ   PHE   3           HZ       PHE   3  -0.788  15.587   0.688
   32    H    ALA   4           H        ALA   4  -5.743   9.446  -1.642
   33    HA   ALA   4           HA       ALA   4  -6.968   7.683   0.353
   34   1HB   ALA   4          1HB       ALA   4  -8.353   8.557  -2.181
   35   2HB   ALA   4          2HB       ALA   4  -8.784   9.052  -0.544
   36   3HB   ALA   4          3HB       ALA   4  -8.955   7.366  -1.028
   37    H    CYS   5           H        CYS   5  -6.859   5.508  -0.125
   38    HA   CYS   5           HA       CYS   5  -4.921   4.753  -2.120
   39   1HB   CYS   5          1HB       CYS   5  -5.283   3.748   0.258
   40   2HB   CYS   5          2HB       CYS   5  -6.529   2.788  -0.523
   41    HG   CYS   5           HG       CYS   5  -4.805   1.429  -1.681
   42    HA   PRO   6           HA       PRO   6  -7.886   3.780  -5.289
   43   1HB   PRO   6          1HB       PRO   6  -6.271   2.391  -6.950
   44   2HB   PRO   6          2HB       PRO   6  -6.152   4.144  -6.763
   45   1HG   PRO   6          1HG       PRO   6  -4.478   1.988  -5.534
   46   2HG   PRO   6          2HG       PRO   6  -3.972   3.535  -6.236
   47   1HD   PRO   6          1HD       PRO   6  -4.231   3.122  -3.555
   48   2HD   PRO   6          2HD       PRO   6  -4.460   4.706  -4.324
   49    H    GLU   7           H        GLU   7  -6.148   1.379  -3.465
   50    HA   GLU   7           HA       GLU   7  -7.826  -0.789  -4.492
   51   1HB   GLU   7          1HB       GLU   7  -5.332  -1.068  -4.301
   52   2HB   GLU   7          2HB       GLU   7  -5.515  -0.969  -2.556
   53   1HG   GLU   7          1HG       GLU   7  -5.334  -3.272  -3.282
   54   2HG   GLU   7          2HG       GLU   7  -6.920  -2.960  -2.579
   55    H    CYS   8           H        CYS   8  -6.881   0.720  -1.399
   56    HA   CYS   8           HA       CYS   8  -9.283  -0.483  -0.181
   57   1HB   CYS   8          1HB       CYS   8  -8.156  -0.554   1.919
   58   2HB   CYS   8          2HB       CYS   8  -7.070  -1.243   0.728
   59    HG   CYS   8           HG       CYS   8  -6.568   1.709   1.385
   60    HA   PRO   9           HA       PRO   9 -10.587   3.588   0.948
   61   1HB   PRO   9          1HB       PRO   9 -12.181   3.080   3.014
   62   2HB   PRO   9          2HB       PRO   9 -12.497   2.360   1.432
   63   1HG   PRO   9          1HG       PRO   9 -11.336   1.118   3.877
   64   2HG   PRO   9          2HG       PRO   9 -12.388   0.403   2.645
   65   1HD   PRO   9          1HD       PRO   9  -9.570   0.182   2.804
   66   2HD   PRO   9          2HD       PRO   9 -10.598  -0.318   1.451
   67    H    LYS  10           H        LYS  10  -7.910   3.326   1.955
   68    HA   LYS  10           HA       LYS  10  -8.038   4.240   4.718
   69   1HB   LYS  10          1HB       LYS  10  -5.601   3.791   2.980
   70   2HB   LYS  10          2HB       LYS  10  -5.599   4.146   4.683
   71   1HG   LYS  10          1HG       LYS  10  -7.119   1.769   3.789
   72   2HG   LYS  10          2HG       LYS  10  -5.356   1.687   3.787
   73   1HD   LYS  10          1HD       LYS  10  -6.892   2.636   6.187
   74   2HD   LYS  10          2HD       LYS  10  -6.583   0.922   5.901
   75   1HE   LYS  10          1HE       LYS  10  -4.151   1.457   5.766
   76   2HE   LYS  10          2HE       LYS  10  -4.537   3.110   6.241
   77   1HZ   LYS  10          1HZ       LYS  10  -3.851   1.801   8.140
   78   2HZ   LYS  10          2HZ       LYS  10  -5.075   0.671   7.850
   79   3HZ   LYS  10          3HZ       LYS  10  -5.474   2.251   8.304
   80    H    ARG  11           H        ARG  11  -7.024   6.193   5.400
   81    HA   ARG  11           HA       ARG  11  -6.600   8.261   3.379
   82   1HB   ARG  11          1HB       ARG  11  -8.018   9.630   5.337
   83   2HB   ARG  11          2HB       ARG  11  -8.600   9.199   3.739
   84   1HG   ARG  11          1HG       ARG  11 -10.253   8.503   5.263
   85   2HG   ARG  11          2HG       ARG  11  -9.420   7.039   4.741
   86   1HD   ARG  11          1HD       ARG  11  -9.588   6.749   7.036
   87   2HD   ARG  11          2HD       ARG  11  -7.961   7.394   6.842
   88    HE   ARG  11           HE       ARG  11  -8.604   9.295   7.952
   89   1HH1  ARG  11          1HH1      ARG  11 -11.464   7.460   7.104
   90   2HH1  ARG  11          2HH1      ARG  11 -12.519   8.422   8.083
   91   1HH2  ARG  11          1HH2      ARG  11 -10.002  10.555   9.243
   92   2HH2  ARG  11          2HH2      ARG  11 -11.690  10.179   9.295
   93    H    PHE  12           H        PHE  12  -4.907   9.542   3.866
   94    HA   PHE  12           HA       PHE  12  -3.970   9.569   6.659
   95   1HB   PHE  12          1HB       PHE  12  -2.215   9.400   4.235
   96   2HB   PHE  12          2HB       PHE  12  -1.679   9.359   5.899
   97    HD1  PHE  12           HD1      PHE  12  -4.203   7.546   3.836
   98    HD2  PHE  12           HD2      PHE  12  -0.982   7.267   6.596
   99    HE1  PHE  12           HE1      PHE  12  -4.390   5.115   3.784
  100    HE2  PHE  12           HE2      PHE  12  -1.169   4.809   6.551
  101    HZ   PHE  12           HZ       PHE  12  -2.883   3.733   5.129
  102    H    MET  13           H        MET  13  -2.675  11.392   7.273
  103    HA   MET  13           HA       MET  13  -3.609  13.846   6.088
  104   1HB   MET  13          1HB       MET  13  -1.754  13.266   8.401
  105   2HB   MET  13          2HB       MET  13  -2.164  14.895   7.884
  106   1HG   MET  13          1HG       MET  13  -3.836  14.761   9.342
  107   2HG   MET  13          2HG       MET  13  -4.625  13.730   8.150
  108   1HE   MET  13          1HE       MET  13  -4.010  13.532  12.082
  109   2HE   MET  13          2HE       MET  13  -5.338  12.421  11.743
  110   3HE   MET  13          3HE       MET  13  -5.284  13.998  10.955
  111    H    ARG  14           H        ARG  14  -0.678  11.937   6.034
  112    HA   ARG  14           HA       ARG  14   0.749  14.038   4.567
  113   1HB   ARG  14          1HB       ARG  14   1.640  11.488   5.901
  114   2HB   ARG  14          2HB       ARG  14   2.689  12.376   4.810
  115   1HG   ARG  14          1HG       ARG  14   3.323  13.138   6.901
  116   2HG   ARG  14          2HG       ARG  14   2.218  14.392   6.337
  117   1HD   ARG  14          1HD       ARG  14   0.736  13.976   7.966
  118   2HD   ARG  14          2HD       ARG  14   0.884  12.226   7.774
  119    HE   ARG  14           HE       ARG  14   2.397  12.197   9.490
  120   1HH1  ARG  14          1HH1      ARG  14   1.980  15.511   8.436
  121   2HH1  ARG  14          2HH1      ARG  14   2.927  16.169   9.728
  122   1HH2  ARG  14          1HH2      ARG  14   3.648  13.068  11.183
  123   2HH2  ARG  14          2HH2      ARG  14   3.875  14.782  11.287
  124    H    SER  15           H        SER  15   1.982  13.394   2.633
  125    HA   SER  15           HA       SER  15   0.341  11.718   0.910
  126   1HB   SER  15          1HB       SER  15   1.005  13.000  -0.776
  127   2HB   SER  15          2HB       SER  15   1.574  14.105   0.470
  128    HG   SER  15           HG       SER  15   3.204  13.671  -1.063
  129    H    ASP  16           H        ASP  16   3.729  11.923   1.976
  130    HA   ASP  16           HA       ASP  16   4.563   9.598   0.563
  131   1HB   ASP  16          1HB       ASP  16   5.919  11.609   1.711
  132   2HB   ASP  16          2HB       ASP  16   6.042  10.414   2.996
  133    H    HIS  17           H        HIS  17   3.358  10.189   3.825
  134    HA   HIS  17           HA       HIS  17   3.963   7.668   4.925
  135   1HB   HIS  17          1HB       HIS  17   1.917   9.769   5.589
  136   2HB   HIS  17          2HB       HIS  17   1.957   8.237   6.449
  137    HD1  HIS  17           HD1      HIS  17   2.419  10.217   8.389
  138    HD2  HIS  17           HD2      HIS  17   5.531   9.142   5.855
  139    HE1  HIS  17           HE1      HIS  17   4.519  10.970   9.547
  140    HE2  HIS  17           HE2      HIS  17   6.394  10.223   8.041
  141    H    LEU  18           H        LEU  18   0.951   8.888   3.432
  142    HA   LEU  18           HA       LEU  18  -0.547   6.543   3.644
  143   1HB   LEU  18          1HB       LEU  18  -1.394   8.783   2.952
  144   2HB   LEU  18          2HB       LEU  18  -0.657   8.544   1.391
  145    HG   LEU  18           HG       LEU  18  -2.606   6.517   2.393
  146   1HD1  LEU  18          1HD1      LEU  18  -3.331   9.140   2.386
  147   2HD1  LEU  18          2HD1      LEU  18  -4.430   7.781   2.147
  148   3HD1  LEU  18          3HD1      LEU  18  -3.768   8.633   0.754
  149   1HD2  LEU  18          1HD2      LEU  18  -1.246   7.145  -0.057
  150   2HD2  LEU  18          2HD2      LEU  18  -2.992   7.113  -0.292
  151   3HD2  LEU  18          3HD2      LEU  18  -2.165   5.706   0.389
  152    H    THR  19           H        THR  19   1.616   7.658   1.053
  153    HA   THR  19           HA       THR  19   1.185   5.479  -0.653
  154    HB   THR  19           HB       THR  19   3.666   7.201  -0.418
  155    HG1  THR  19           HG1      THR  19   2.270   8.657  -1.026
  156   1HG2  THR  19          1HG2      THR  19   3.881   6.726  -2.865
  157   2HG2  THR  19          2HG2      THR  19   2.680   5.452  -2.653
  158   3HG2  THR  19          3HG2      THR  19   4.221   5.361  -1.801
  159    H    LEU  20           H        LEU  20   3.340   5.960   2.093
  160    HA   LEU  20           HA       LEU  20   4.999   3.705   1.702
  161   1HB   LEU  20          1HB       LEU  20   5.214   5.691   3.373
  162   2HB   LEU  20          2HB       LEU  20   4.212   4.707   4.421
  163    HG   LEU  20           HG       LEU  20   5.948   2.879   4.183
  164   1HD1  LEU  20          1HD1      LEU  20   8.222   3.672   3.549
  165   2HD1  LEU  20          2HD1      LEU  20   7.483   5.150   2.931
  166   3HD1  LEU  20          3HD1      LEU  20   7.086   3.593   2.203
  167   1HD2  LEU  20          1HD2      LEU  20   6.823   5.478   5.440
  168   2HD2  LEU  20          2HD2      LEU  20   7.435   3.872   5.836
  169   3HD2  LEU  20          3HD2      LEU  20   5.755   4.284   6.178
  170    H    HIS  21           H        HIS  21   1.820   4.148   3.085
  171    HA   HIS  21           HA       HIS  21   1.501   1.670   4.369
  172   1HB   HIS  21          1HB       HIS  21  -0.439   2.648   4.925
  173   2HB   HIS  21          2HB       HIS  21  -0.032   4.001   3.911
  174    HD1  HIS  21           HD1      HIS  21  -2.149   4.568   2.706
  175    HD2  HIS  21           HD2      HIS  21  -1.429   0.490   2.755
  176    HE1  HIS  21           HE1      HIS  21  -4.024   3.490   1.407
  177    H    ILE  22           H        ILE  22   0.679   2.771   1.134
  178    HA   ILE  22           HA       ILE  22  -0.571   0.412   0.290
  179    HB   ILE  22           HB       ILE  22   0.787   2.294  -1.619
  180   1HG1  ILE  22          1HG1      ILE  22  -2.014   2.815  -0.825
  181   2HG1  ILE  22          2HG1      ILE  22  -0.814   3.238   0.370
  182   1HG2  ILE  22          1HG2      ILE  22  -0.610   1.452  -3.193
  183   2HG2  ILE  22          2HG2      ILE  22  -1.934   1.231  -2.047
  184   3HG2  ILE  22          3HG2      ILE  22  -0.620   0.056  -2.115
  185   1HD1  ILE  22          1HD1      ILE  22  -0.685   5.168  -0.689
  186   2HD1  ILE  22          2HD1      ILE  22  -1.533   4.545  -2.103
  187   3HD1  ILE  22          3HD1      ILE  22   0.205   4.300  -1.938
  188    H    LEU  23           H        LEU  23   2.618   0.633   1.105
  189    HA   LEU  23           HA       LEU  23   3.803  -0.869  -1.015
  190   1HB   LEU  23          1HB       LEU  23   4.633   0.107   1.648
  191   2HB   LEU  23          2HB       LEU  23   5.436  -1.347   1.093
  192    HG   LEU  23           HG       LEU  23   6.081  -0.126  -0.992
  193   1HD1  LEU  23          1HD1      LEU  23   4.926   2.219   0.504
  194   2HD1  LEU  23          2HD1      LEU  23   4.402   1.584  -1.054
  195   3HD1  LEU  23          3HD1      LEU  23   5.982   2.354  -0.900
  196   1HD2  LEU  23          1HD2      LEU  23   7.903   1.063   0.019
  197   2HD2  LEU  23          2HD2      LEU  23   7.578  -0.383   0.977
  198   3HD2  LEU  23          3HD2      LEU  23   7.031   1.194   1.546
  199    H    LEU  24           H        LEU  24   2.132  -1.651   1.990
  200    HA   LEU  24           HA       LEU  24   2.898  -4.402   2.035
  201   1HB   LEU  24          1HB       LEU  24   0.679  -4.534   3.477
  202   2HB   LEU  24          2HB       LEU  24   2.195  -3.941   4.114
  203    HG   LEU  24           HG       LEU  24   1.352  -1.607   3.583
  204   1HD1  LEU  24          1HD1      LEU  24  -1.235  -3.130   3.268
  205   2HD1  LEU  24          2HD1      LEU  24  -0.436  -2.141   2.046
  206   3HD1  LEU  24          3HD1      LEU  24  -1.117  -1.382   3.483
  207   1HD2  LEU  24          1HD2      LEU  24   1.309  -3.002   5.797
  208   2HD2  LEU  24          2HD2      LEU  24  -0.437  -2.897   5.568
  209   3HD2  LEU  24          3HD2      LEU  24   0.527  -1.424   5.698
  210    H    HIS  25           H        HIS  25   0.457  -2.651   0.306
  211    HA   HIS  25           HA       HIS  25  -1.470  -4.585  -0.150
  212   1HB   HIS  25          1HB       HIS  25  -0.521  -2.192  -1.624
  213   2HB   HIS  25          2HB       HIS  25  -1.494  -3.343  -2.533
  214    HD1  HIS  25           HD1      HIS  25  -3.794  -4.053  -0.911
  215    HD2  HIS  25           HD2      HIS  25  -2.064  -0.291  -0.590
  216    HE1  HIS  25           HE1      HIS  25  -5.559  -2.541   0.091
  217    H    GLU  26           H        GLU  26   1.703  -4.247  -1.647
  218    HA   GLU  26           HA       GLU  26   1.381  -5.934  -3.836
  219   1HB   GLU  26          1HB       GLU  26   3.378  -4.471  -3.284
  220   2HB   GLU  26          2HB       GLU  26   3.907  -5.743  -2.194
  221   1HG   GLU  26          1HG       GLU  26   3.364  -6.242  -5.103
  222   2HG   GLU  26          2HG       GLU  26   4.933  -5.703  -4.509
  223    H    ASN  27           H        ASN  27   3.092  -6.920  -0.849
  224    HA   ASN  27           HA       ASN  27   1.560  -9.219  -0.355
  225   1HB   ASN  27          1HB       ASN  27   2.865  -9.716  -2.607
  226   2HB   ASN  27          2HB       ASN  27   4.183 -10.076  -1.498
  227   1HD2  ASN  27          1HD2      ASN  27   0.926 -10.939  -2.451
  228   2HD2  ASN  27          2HD2      ASN  27   0.945 -12.526  -1.767
  229    H    LYS  28           H        LYS  28   2.049 -10.059   1.606
  230    HA   LYS  28           HA       LYS  28   4.233  -8.819   3.071
  231   1HB   LYS  28          1HB       LYS  28   3.205  -9.718   5.061
  232   2HB   LYS  28          2HB       LYS  28   1.968  -8.961   4.071
  233   1HG   LYS  28          1HG       LYS  28   0.815 -10.836   4.433
  234   2HG   LYS  28          2HG       LYS  28   1.860 -11.541   3.199
  235   1HD   LYS  28          1HD       LYS  28   2.118 -13.065   4.899
  236   2HD   LYS  28          2HD       LYS  28   3.455 -11.967   5.243
  237   1HE   LYS  28          1HE       LYS  28   0.945 -11.158   6.494
  238   2HE   LYS  28          2HE       LYS  28   1.501 -12.746   7.019
  239   1HZ   LYS  28          1HZ       LYS  28   2.385 -11.017   8.436
  240   2HZ   LYS  28          2HZ       LYS  28   3.081 -10.231   7.111
  241   3HZ   LYS  28          3HZ       LYS  28   3.645 -11.754   7.582
  242    H    LYS  29           H        LYS  29   3.369 -11.939   1.741
  243    HA   LYS  29           HA       LYS  29   5.219 -13.518   3.188
  244   1HB   LYS  29          1HB       LYS  29   3.201 -14.067   1.454
  245   2HB   LYS  29          2HB       LYS  29   4.595 -14.347   0.422
  246   1HG   LYS  29          1HG       LYS  29   5.482 -15.833   2.282
  247   2HG   LYS  29          2HG       LYS  29   3.864 -15.732   2.980
  248   1HD   LYS  29          1HD       LYS  29   3.177 -16.393   0.498
  249   2HD   LYS  29          2HD       LYS  29   4.795 -17.095   0.509
  250   1HE   LYS  29          1HE       LYS  29   2.923 -17.636   2.777
  251   2HE   LYS  29          2HE       LYS  29   2.736 -18.516   1.261
  252   1HZ   LYS  29          1HZ       LYS  29   4.124 -19.749   2.772
  253   2HZ   LYS  29          2HZ       LYS  29   5.178 -18.438   2.951
  254   3HZ   LYS  29          3HZ       LYS  29   5.058 -19.230   1.460
  Start of MODEL   33
    1    H    TYR   1           H        TYR   1  -7.868  13.724   6.412
    2    HA   TYR   1           HA       TYR   1  -7.362  11.129   5.142
    3   1HB   TYR   1          1HB       TYR   1  -9.879  11.201   4.674
    4   2HB   TYR   1          2HB       TYR   1  -9.393  10.757   6.304
    5    HD1  TYR   1           HD1      TYR   1 -11.051  13.272   4.238
    6    HD2  TYR   1           HD2      TYR   1  -9.774  12.290   8.176
    7    HE1  TYR   1           HE1      TYR   1 -12.496  15.044   5.141
    8    HE2  TYR   1           HE2      TYR   1 -11.215  14.060   9.090
    9    HH   TYR   1           HH       TYR   1 -12.257  16.475   7.721
   10    H    LYS   2           H        LYS   2  -5.964  13.149   4.235
   11    HA   LYS   2           HA       LYS   2  -7.374  14.840   2.399
   12   1HB   LYS   2          1HB       LYS   2  -4.454  14.285   2.880
   13   2HB   LYS   2          2HB       LYS   2  -4.998  15.325   1.570
   14   1HG   LYS   2          1HG       LYS   2  -6.160  16.739   3.247
   15   2HG   LYS   2          2HG       LYS   2  -5.445  15.742   4.517
   16   1HD   LYS   2          1HD       LYS   2  -3.246  16.363   3.062
   17   2HD   LYS   2          2HD       LYS   2  -4.222  17.813   2.816
   18   1HE   LYS   2          1HE       LYS   2  -4.310  18.276   5.116
   19   2HE   LYS   2          2HE       LYS   2  -3.775  16.653   5.548
   20   1HZ   LYS   2          1HZ       LYS   2  -1.602  17.173   4.599
   21   2HZ   LYS   2          2HZ       LYS   2  -2.001  18.248   5.842
   22   3HZ   LYS   2          3HZ       LYS   2  -2.122  18.741   4.230
   23    H    PHE   3           H        PHE   3  -5.155  12.069   1.981
   24    HA   PHE   3           HA       PHE   3  -5.965  11.867  -0.819
   25   1HB   PHE   3          1HB       PHE   3  -3.617  11.037   0.763
   26   2HB   PHE   3          2HB       PHE   3  -4.127   9.896  -0.468
   27    HD1  PHE   3           HD1      PHE   3  -2.603  13.109   0.194
   28    HD2  PHE   3           HD2      PHE   3  -4.143  10.557  -2.844
   29    HE1  PHE   3           HE1      PHE   3  -1.444  14.448  -1.514
   30    HE2  PHE   3           HE2      PHE   3  -2.987  11.891  -4.557
   31    HZ   PHE   3           HZ       PHE   3  -1.635  13.839  -3.892
   32    H    ALA   4           H        ALA   4  -5.999   9.441  -1.583
   33    HA   ALA   4           HA       ALA   4  -7.375   7.693   0.303
   34   1HB   ALA   4          1HB       ALA   4  -9.185   8.999  -0.675
   35   2HB   ALA   4          2HB       ALA   4  -9.264   7.321  -1.217
   36   3HB   ALA   4          3HB       ALA   4  -8.637   8.568  -2.295
   37    H    CYS   5           H        CYS   5  -7.096   5.531  -0.135
   38    HA   CYS   5           HA       CYS   5  -5.086   4.861  -2.093
   39   1HB   CYS   5          1HB       CYS   5  -5.331   3.853   0.262
   40   2HB   CYS   5          2HB       CYS   5  -6.622   2.881  -0.422
   41    HG   CYS   5           HG       CYS   5  -4.771   1.337  -0.904
   42    HA   PRO   6           HA       PRO   6  -7.949   3.642  -5.271
   43   1HB   PRO   6          1HB       PRO   6  -6.236   2.358  -6.908
   44   2HB   PRO   6          2HB       PRO   6  -6.217   4.115  -6.719
   45   1HG   PRO   6          1HG       PRO   6  -4.434   2.056  -5.483
   46   2HG   PRO   6          2HG       PRO   6  -4.013   3.637  -6.163
   47   1HD   PRO   6          1HD       PRO   6  -4.297   3.158  -3.484
   48   2HD   PRO   6          2HD       PRO   6  -4.556   4.747  -4.235
   49    H    GLU   7           H        GLU   7  -6.114   1.398  -3.363
   50    HA   GLU   7           HA       GLU   7  -7.588  -0.905  -4.405
   51   1HB   GLU   7          1HB       GLU   7  -5.029  -0.500  -2.984
   52   2HB   GLU   7          2HB       GLU   7  -5.934  -1.933  -2.520
   53   1HG   GLU   7          1HG       GLU   7  -5.907  -2.760  -4.760
   54   2HG   GLU   7          2HG       GLU   7  -5.215  -1.252  -5.358
   55    H    CYS   8           H        CYS   8  -6.875   0.749  -1.329
   56    HA   CYS   8           HA       CYS   8  -9.248  -0.558  -0.159
   57   1HB   CYS   8          1HB       CYS   8  -8.170  -0.545   1.977
   58   2HB   CYS   8          2HB       CYS   8  -7.045  -1.236   0.822
   59    HG   CYS   8           HG       CYS   8  -5.464   0.603   1.233
   60    HA   PRO   9           HA       PRO   9 -10.739   3.473   0.862
   61   1HB   PRO   9          1HB       PRO   9 -12.231   3.006   3.027
   62   2HB   PRO   9          2HB       PRO   9 -12.595   2.240   1.477
   63   1HG   PRO   9          1HG       PRO   9 -11.330   1.086   3.909
   64   2HG   PRO   9          2HG       PRO   9 -12.389   0.314   2.718
   65   1HD   PRO   9          1HD       PRO   9  -9.570   0.168   2.823
   66   2HD   PRO   9          2HD       PRO   9 -10.607  -0.389   1.502
   67    H    LYS  10           H        LYS  10  -7.996   3.146   1.934
   68    HA   LYS  10           HA       LYS  10  -8.111   4.347   4.577
   69   1HB   LYS  10          1HB       LYS  10  -5.712   3.704   2.856
   70   2HB   LYS  10          2HB       LYS  10  -5.653   4.267   4.500
   71   1HG   LYS  10          1HG       LYS  10  -7.257   1.843   4.058
   72   2HG   LYS  10          2HG       LYS  10  -5.517   1.683   3.810
   73   1HD   LYS  10          1HD       LYS  10  -6.215   3.164   6.230
   74   2HD   LYS  10          2HD       LYS  10  -6.814   1.504   6.223
   75   1HE   LYS  10          1HE       LYS  10  -4.604   0.646   5.835
   76   2HE   LYS  10          2HE       LYS  10  -3.963   2.275   5.619
   77   1HZ   LYS  10          1HZ       LYS  10  -4.481   2.746   7.933
   78   2HZ   LYS  10          2HZ       LYS  10  -3.453   1.408   7.811
   79   3HZ   LYS  10          3HZ       LYS  10  -5.096   1.182   8.139
   80    H    ARG  11           H        ARG  11  -7.149   6.349   5.081
   81    HA   ARG  11           HA       ARG  11  -6.695   8.218   2.881
   82   1HB   ARG  11          1HB       ARG  11  -8.558   8.767   5.189
   83   2HB   ARG  11          2HB       ARG  11  -8.102   9.910   3.946
   84   1HG   ARG  11          1HG       ARG  11 -10.063   9.266   3.048
   85   2HG   ARG  11          2HG       ARG  11  -9.066   7.969   2.388
   86   1HD   ARG  11          1HD       ARG  11 -10.944   6.892   3.298
   87   2HD   ARG  11          2HD       ARG  11  -9.662   6.657   4.484
   88    HE   ARG  11           HE       ARG  11 -11.096   8.971   5.158
   89   1HH1  ARG  11          1HH1      ARG  11 -11.548   5.499   5.042
   90   2HH1  ARG  11          2HH1      ARG  11 -12.715   5.487   6.320
   91   1HH2  ARG  11          1HH2      ARG  11 -12.635   8.947   6.838
   92   2HH2  ARG  11          2HH2      ARG  11 -13.334   7.444   7.340
   93    H    PHE  12           H        PHE  12  -5.156   9.743   3.306
   94    HA   PHE  12           HA       PHE  12  -4.141   9.976   6.045
   95   1HB   PHE  12          1HB       PHE  12  -2.330   9.499   3.707
   96   2HB   PHE  12          2HB       PHE  12  -1.862   9.601   5.389
   97    HD1  PHE  12           HD1      PHE  12  -4.237   7.629   3.286
   98    HD2  PHE  12           HD2      PHE  12  -1.340   7.599   6.402
   99    HE1  PHE  12           HE1      PHE  12  -4.457   5.199   3.453
  100    HE2  PHE  12           HE2      PHE  12  -1.561   5.151   6.576
  101    HZ   PHE  12           HZ       PHE  12  -3.119   3.949   5.086
  102    H    MET  13           H        MET  13  -3.127  11.898   6.549
  103    HA   MET  13           HA       MET  13  -3.803  14.149   4.903
  104   1HB   MET  13          1HB       MET  13  -2.443  13.794   7.553
  105   2HB   MET  13          2HB       MET  13  -2.366  15.348   6.734
  106   1HG   MET  13          1HG       MET  13  -4.484  15.851   7.226
  107   2HG   MET  13          2HG       MET  13  -5.056  14.219   6.888
  108   1HE   MET  13          1HE       MET  13  -5.486  12.451   8.512
  109   2HE   MET  13          2HE       MET  13  -6.668  13.700   8.906
  110   3HE   MET  13          3HE       MET  13  -5.824  12.845  10.198
  111    H    ARG  14           H        ARG  14  -0.983  12.167   5.375
  112    HA   ARG  14           HA       ARG  14   0.717  14.059   3.920
  113   1HB   ARG  14          1HB       ARG  14   1.363  11.517   5.425
  114   2HB   ARG  14          2HB       ARG  14   2.550  12.453   4.529
  115   1HG   ARG  14          1HG       ARG  14   2.189  14.358   5.985
  116   2HG   ARG  14          2HG       ARG  14   0.934  13.476   6.855
  117   1HD   ARG  14          1HD       ARG  14   2.875  13.300   8.180
  118   2HD   ARG  14          2HD       ARG  14   2.700  11.740   7.374
  119    HE   ARG  14           HE       ARG  14   4.354  12.954   5.702
  120   1HH1  ARG  14          1HH1      ARG  14   4.429  12.864   9.207
  121   2HH1  ARG  14          2HH1      ARG  14   6.152  13.016   9.291
  122   1HH2  ARG  14          1HH2      ARG  14   6.616  13.157   5.826
  123   2HH2  ARG  14          2HH2      ARG  14   7.393  13.184   7.373
  124    H    SER  15           H        SER  15   2.031  13.281   2.140
  125    HA   SER  15           HA       SER  15   0.537  11.427   0.456
  126   1HB   SER  15          1HB       SER  15   0.981  12.993  -1.036
  127   2HB   SER  15          2HB       SER  15   2.191  13.758  -0.011
  128    HG   SER  15           HG       SER  15   2.494  11.911  -2.060
  129    H    ASP  16           H        ASP  16   3.831  11.879   1.718
  130    HA   ASP  16           HA       ASP  16   4.902   9.537   0.519
  131   1HB   ASP  16          1HB       ASP  16   6.119  11.618   1.525
  132   2HB   ASP  16          2HB       ASP  16   6.032  10.705   3.025
  133    H    HIS  17           H        HIS  17   3.813  10.232   3.846
  134    HA   HIS  17           HA       HIS  17   4.306   7.688   4.909
  135   1HB   HIS  17          1HB       HIS  17   2.514   9.956   5.665
  136   2HB   HIS  17          2HB       HIS  17   2.280   8.402   6.451
  137    HD1  HIS  17           HD1      HIS  17   3.006   9.670   8.659
  138    HD2  HIS  17           HD2      HIS  17   5.969   9.259   5.775
  139    HE1  HIS  17           HE1      HIS  17   5.163  10.166   9.836
  140    HE2  HIS  17           HE2      HIS  17   6.926  10.051   8.043
  141    H    LEU  18           H        LEU  18   1.449   8.988   3.261
  142    HA   LEU  18           HA       LEU  18  -0.284   6.828   3.638
  143   1HB   LEU  18          1HB       LEU  18  -0.863   9.061   2.698
  144   2HB   LEU  18          2HB       LEU  18  -0.084   8.599   1.207
  145    HG   LEU  18           HG       LEU  18  -2.313   6.942   2.315
  146   1HD1  LEU  18          1HD1      LEU  18  -3.472   8.914   2.284
  147   2HD1  LEU  18          2HD1      LEU  18  -3.688   8.385   0.617
  148   3HD1  LEU  18          3HD1      LEU  18  -2.473   9.603   1.008
  149   1HD2  LEU  18          1HD2      LEU  18  -1.703   5.775   0.520
  150   2HD2  LEU  18          2HD2      LEU  18  -0.781   7.120  -0.158
  151   3HD2  LEU  18          3HD2      LEU  18  -2.527   7.038  -0.400
  152    H    THR  19           H        THR  19   2.011   7.507   1.011
  153    HA   THR  19           HA       THR  19   1.477   5.226  -0.503
  154    HB   THR  19           HB       THR  19   4.109   6.712  -0.286
  155    HG1  THR  19           HG1      THR  19   2.918   8.274  -1.035
  156   1HG2  THR  19          1HG2      THR  19   4.336   6.069  -2.689
  157   2HG2  THR  19          2HG2      THR  19   2.989   4.955  -2.451
  158   3HG2  THR  19          3HG2      THR  19   4.484   4.738  -1.541
  159    H    LEU  20           H        LEU  20   3.501   5.727   2.322
  160    HA   LEU  20           HA       LEU  20   5.043   3.380   2.198
  161   1HB   LEU  20          1HB       LEU  20   5.311   5.375   3.765
  162   2HB   LEU  20          2HB       LEU  20   4.044   4.659   4.740
  163    HG   LEU  20           HG       LEU  20   5.557   2.564   4.801
  164   1HD1  LEU  20          1HD1      LEU  20   7.090   3.297   3.036
  165   2HD1  LEU  20          2HD1      LEU  20   7.934   3.002   4.555
  166   3HD1  LEU  20          3HD1      LEU  20   7.593   4.655   4.042
  167   1HD2  LEU  20          1HD2      LEU  20   6.781   3.444   6.722
  168   2HD2  LEU  20          2HD2      LEU  20   5.104   3.990   6.732
  169   3HD2  LEU  20          3HD2      LEU  20   6.386   5.090   6.227
  170    H    HIS  21           H        HIS  21   1.784   4.018   3.340
  171    HA   HIS  21           HA       HIS  21   1.281   1.564   4.627
  172   1HB   HIS  21          1HB       HIS  21  -0.657   2.606   5.075
  173   2HB   HIS  21          2HB       HIS  21  -0.111   3.963   4.135
  174    HD1  HIS  21           HD1      HIS  21  -2.027   4.684   2.710
  175    HD2  HIS  21           HD2      HIS  21  -1.684   0.560   2.867
  176    HE1  HIS  21           HE1      HIS  21  -3.891   3.750   1.282
  177    H    ILE  22           H        ILE  22   0.634   2.689   1.360
  178    HA   ILE  22           HA       ILE  22  -0.682   0.401   0.455
  179    HB   ILE  22           HB       ILE  22   0.919   2.182  -1.365
  180   1HG1  ILE  22          1HG1      ILE  22  -1.911   2.828  -0.774
  181   2HG1  ILE  22          2HG1      ILE  22  -0.763   3.237   0.477
  182   1HG2  ILE  22          1HG2      ILE  22  -1.804   1.272  -2.024
  183   2HG2  ILE  22          2HG2      ILE  22  -0.578   0.007  -1.943
  184   3HG2  ILE  22          3HG2      ILE  22  -0.366   1.370  -3.041
  185   1HD1  ILE  22          1HD1      ILE  22  -1.350   4.567  -1.981
  186   2HD1  ILE  22          2HD1      ILE  22   0.363   4.158  -1.892
  187   3HD1  ILE  22          3HD1      ILE  22  -0.386   5.107  -0.610
  188    H    LEU  23           H        LEU  23   2.529   0.547   1.373
  189    HA   LEU  23           HA       LEU  23   3.775  -1.032  -0.602
  190   1HB   LEU  23          1HB       LEU  23   4.362  -0.314   2.222
  191   2HB   LEU  23          2HB       LEU  23   5.196  -1.703   1.554
  192    HG   LEU  23           HG       LEU  23   5.225   0.905   0.080
  193   1HD1  LEU  23          1HD1      LEU  23   7.057   0.134   2.349
  194   2HD1  LEU  23          2HD1      LEU  23   5.910   1.474   2.335
  195   3HD1  LEU  23          3HD1      LEU  23   7.300   1.494   1.252
  196   1HD2  LEU  23          1HD2      LEU  23   6.038  -1.213  -0.960
  197   2HD2  LEU  23          2HD2      LEU  23   7.273  -1.297   0.296
  198   3HD2  LEU  23          3HD2      LEU  23   7.263   0.051  -0.841
  199    H    LEU  24           H        LEU  24   1.850  -1.844   2.269
  200    HA   LEU  24           HA       LEU  24   2.417  -4.615   2.266
  201   1HB   LEU  24          1HB       LEU  24  -0.023  -4.683   3.322
  202   2HB   LEU  24          2HB       LEU  24   1.402  -4.218   4.220
  203    HG   LEU  24           HG       LEU  24   0.802  -1.821   3.712
  204   1HD1  LEU  24          1HD1      LEU  24  -0.683  -1.982   1.881
  205   2HD1  LEU  24          2HD1      LEU  24  -1.679  -1.510   3.257
  206   3HD1  LEU  24          3HD1      LEU  24  -1.680  -3.183   2.699
  207   1HD2  LEU  24          1HD2      LEU  24  -0.396  -1.690   5.644
  208   2HD2  LEU  24          2HD2      LEU  24   0.250  -3.326   5.781
  209   3HD2  LEU  24          3HD2      LEU  24  -1.409  -3.077   5.239
  210    H    HIS  25           H        HIS  25   0.249  -2.706   0.314
  211    HA   HIS  25           HA       HIS  25  -1.489  -4.734  -0.565
  212   1HB   HIS  25          1HB       HIS  25  -0.607  -2.115  -1.751
  213   2HB   HIS  25          2HB       HIS  25  -1.655  -3.201  -2.654
  214    HD1  HIS  25           HD1      HIS  25  -3.824  -4.009  -0.903
  215    HD2  HIS  25           HD2      HIS  25  -2.067  -0.267  -0.505
  216    HE1  HIS  25           HE1      HIS  25  -5.506  -2.557   0.308
  217    H    GLU  26           H        GLU  26   1.647  -3.634  -1.799
  218    HA   GLU  26           HA       GLU  26   1.633  -5.425  -4.039
  219   1HB   GLU  26          1HB       GLU  26   2.868  -3.331  -4.148
  220   2HB   GLU  26          2HB       GLU  26   3.867  -3.816  -2.785
  221   1HG   GLU  26          1HG       GLU  26   3.817  -5.548  -5.204
  222   2HG   GLU  26          2HG       GLU  26   4.718  -4.034  -5.258
  223    H    ASN  27           H        ASN  27   3.743  -5.276  -1.148
  224    HA   ASN  27           HA       ASN  27   4.212  -8.163  -1.438
  225   1HB   ASN  27          1HB       ASN  27   6.207  -7.837  -0.072
  226   2HB   ASN  27          2HB       ASN  27   6.221  -6.726  -1.437
  227   1HD2  ASN  27          1HD2      ASN  27   6.053  -4.532  -1.075
  228   2HD2  ASN  27          2HD2      ASN  27   6.167  -3.832   0.500
  229    H    LYS  28           H        LYS  28   3.666  -9.592   0.126
  230    HA   LYS  28           HA       LYS  28   1.700  -8.891   2.014
  231   1HB   LYS  28          1HB       LYS  28   1.602 -11.141   2.574
  232   2HB   LYS  28          2HB       LYS  28   2.228 -11.194   0.934
  233   1HG   LYS  28          1HG       LYS  28   3.983 -11.316   3.373
  234   2HG   LYS  28          2HG       LYS  28   3.323 -12.742   2.574
  235   1HD   LYS  28          1HD       LYS  28   4.468 -12.164   0.519
  236   2HD   LYS  28          2HD       LYS  28   5.054 -10.663   1.237
  237   1HE   LYS  28          1HE       LYS  28   5.858 -12.630   3.019
  238   2HE   LYS  28          2HE       LYS  28   6.116 -13.355   1.433
  239   1HZ   LYS  28          1HZ       LYS  28   8.064 -12.138   2.207
  240   2HZ   LYS  28          2HZ       LYS  28   7.160 -10.711   2.300
  241   3HZ   LYS  28          3HZ       LYS  28   7.434 -11.444   0.799
  242    H    LYS  29           H        LYS  29   1.753  -8.448   4.161
  243    HA   LYS  29           HA       LYS  29   4.060  -8.837   5.795
  244   1HB   LYS  29          1HB       LYS  29   4.250  -6.606   4.233
  245   2HB   LYS  29          2HB       LYS  29   3.500  -5.948   5.680
  246   1HG   LYS  29          1HG       LYS  29   5.612  -7.633   6.517
  247   2HG   LYS  29          2HG       LYS  29   6.227  -6.606   5.219
  248   1HD   LYS  29          1HD       LYS  29   6.593  -5.242   7.023
  249   2HD   LYS  29          2HD       LYS  29   4.969  -4.723   6.568
  250   1HE   LYS  29          1HE       LYS  29   4.979  -7.000   8.392
  251   2HE   LYS  29          2HE       LYS  29   5.759  -5.571   9.066
  252   1HZ   LYS  29          1HZ       LYS  29   3.026  -5.643   7.903
  253   2HZ   LYS  29          2HZ       LYS  29   3.773  -4.295   8.598
  254   3HZ   LYS  29          3HZ       LYS  29   3.385  -5.633   9.555
  Start of MODEL   34
    1    H    TYR   1           H        TYR   1  -8.228  14.861   5.784
    2    HA   TYR   1           HA       TYR   1  -7.680  12.175   4.716
    3   1HB   TYR   1          1HB       TYR   1 -10.311  13.581   4.549
    4   2HB   TYR   1          2HB       TYR   1  -9.967  11.867   4.740
    5    HD1  TYR   1           HD1      TYR   1  -9.198  11.047   7.026
    6    HD2  TYR   1           HD2      TYR   1 -10.849  14.919   6.399
    7    HE1  TYR   1           HE1      TYR   1  -9.679  11.227   9.430
    8    HE2  TYR   1           HE2      TYR   1 -11.333  15.108   8.801
    9    HH   TYR   1           HH       TYR   1 -10.129  13.817  11.029
   10    H    LYS   2           H        LYS   2  -6.126  13.556   3.319
   11    HA   LYS   2           HA       LYS   2  -7.514  14.981   1.179
   12   1HB   LYS   2          1HB       LYS   2  -4.609  14.706   1.926
   13   2HB   LYS   2          2HB       LYS   2  -5.119  15.426   0.405
   14   1HG   LYS   2          1HG       LYS   2  -6.557  16.979   1.872
   15   2HG   LYS   2          2HG       LYS   2  -5.522  16.434   3.192
   16   1HD   LYS   2          1HD       LYS   2  -4.353  17.481   0.635
   17   2HD   LYS   2          2HD       LYS   2  -4.866  18.577   1.918
   18   1HE   LYS   2          1HE       LYS   2  -3.334  17.587   3.468
   19   2HE   LYS   2          2HE       LYS   2  -2.943  16.295   2.333
   20   1HZ   LYS   2          1HZ       LYS   2  -1.214  17.972   2.376
   21   2HZ   LYS   2          2HZ       LYS   2  -2.326  19.176   1.958
   22   3HZ   LYS   2          3HZ       LYS   2  -1.962  17.945   0.858
   23    H    PHE   3           H        PHE   3  -5.124  12.347   1.510
   24    HA   PHE   3           HA       PHE   3  -5.664  11.510  -1.227
   25   1HB   PHE   3          1HB       PHE   3  -3.498  11.091   0.735
   26   2HB   PHE   3          2HB       PHE   3  -3.854   9.723  -0.303
   27    HD1  PHE   3           HD1      PHE   3  -3.859  10.110  -2.824
   28    HD2  PHE   3           HD2      PHE   3  -2.203  12.863  -0.032
   29    HE1  PHE   3           HE1      PHE   3  -2.531  11.132  -4.625
   30    HE2  PHE   3           HE2      PHE   3  -0.873  13.890  -1.828
   31    HZ   PHE   3           HZ       PHE   3  -1.037  13.026  -4.129
   32    H    ALA   4           H        ALA   4  -5.783   9.110  -1.617
   33    HA   ALA   4           HA       ALA   4  -6.993   7.498   0.449
   34   1HB   ALA   4          1HB       ALA   4  -9.086   7.095  -0.749
   35   2HB   ALA   4          2HB       ALA   4  -8.618   8.280  -1.969
   36   3HB   ALA   4          3HB       ALA   4  -8.917   8.795  -0.309
   37    H    CYS   5           H        CYS   5  -6.591   5.372   0.113
   38    HA   CYS   5           HA       CYS   5  -4.852   4.587  -1.969
   39   1HB   CYS   5          1HB       CYS   5  -5.108   3.528   0.347
   40   2HB   CYS   5          2HB       CYS   5  -6.492   2.675  -0.316
   41    HG   CYS   5           HG       CYS   5  -3.864   1.588  -0.481
   42    HA   PRO   6           HA       PRO   6  -7.789   3.669  -5.170
   43   1HB   PRO   6          1HB       PRO   6  -6.180   2.257  -6.817
   44   2HB   PRO   6          2HB       PRO   6  -6.026   4.006  -6.618
   45   1HG   PRO   6          1HG       PRO   6  -4.421   1.810  -5.368
   46   2HG   PRO   6          2HG       PRO   6  -3.865   3.343  -6.067
   47   1HD   PRO   6          1HD       PRO   6  -4.167   2.949  -3.391
   48   2HD   PRO   6          2HD       PRO   6  -4.367   4.534  -4.168
   49    H    GLU   7           H        GLU   7  -6.207   1.256  -3.252
   50    HA   GLU   7           HA       GLU   7  -7.908  -0.873  -4.344
   51   1HB   GLU   7          1HB       GLU   7  -5.274  -0.968  -3.877
   52   2HB   GLU   7          2HB       GLU   7  -5.841  -1.456  -2.286
   53   1HG   GLU   7          1HG       GLU   7  -7.130  -3.269  -3.320
   54   2HG   GLU   7          2HG       GLU   7  -6.512  -2.790  -4.900
   55    H    CYS   8           H        CYS   8  -6.919   0.582  -1.237
   56    HA   CYS   8           HA       CYS   8  -9.343  -0.579  -0.022
   57   1HB   CYS   8          1HB       CYS   8  -8.188  -0.566   2.105
   58   2HB   CYS   8          2HB       CYS   8  -7.212  -1.410   0.915
   59    HG   CYS   8           HG       CYS   8  -6.500   1.528   1.552
   60    HA   PRO   9           HA       PRO   9 -10.645   3.504   1.042
   61   1HB   PRO   9          1HB       PRO   9 -12.177   3.076   3.178
   62   2HB   PRO   9          2HB       PRO   9 -12.548   2.326   1.622
   63   1HG   PRO   9          1HG       PRO   9 -11.325   1.126   4.058
   64   2HG   PRO   9          2HG       PRO   9 -12.431   0.399   2.881
   65   1HD   PRO   9          1HD       PRO   9  -9.628   0.113   2.954
   66   2HD   PRO   9          2HD       PRO   9 -10.701  -0.364   1.626
   67    H    LYS  10           H        LYS  10  -7.931   3.199   2.057
   68    HA   LYS  10           HA       LYS  10  -8.036   4.323   4.743
   69   1HB   LYS  10          1HB       LYS  10  -5.554   3.845   3.100
   70   2HB   LYS  10          2HB       LYS  10  -5.665   4.079   4.817
   71   1HG   LYS  10          1HG       LYS  10  -7.218   1.801   3.896
   72   2HG   LYS  10          2HG       LYS  10  -5.492   1.670   3.555
   73   1HD   LYS  10          1HD       LYS  10  -5.261   2.459   6.049
   74   2HD   LYS  10          2HD       LYS  10  -6.905   1.832   6.177
   75   1HE   LYS  10          1HE       LYS  10  -5.417   0.073   6.792
   76   2HE   LYS  10          2HE       LYS  10  -6.072  -0.318   5.204
   77   1HZ   LYS  10          1HZ       LYS  10  -3.475   1.066   5.493
   78   2HZ   LYS  10          2HZ       LYS  10  -4.066   0.196   4.169
   79   3HZ   LYS  10          3HZ       LYS  10  -3.585  -0.620   5.569
   80    H    ARG  11           H        ARG  11  -7.278   6.355   5.280
   81    HA   ARG  11           HA       ARG  11  -6.750   8.227   3.081
   82   1HB   ARG  11          1HB       ARG  11  -8.500   8.867   5.449
   83   2HB   ARG  11          2HB       ARG  11  -8.183   9.886   4.061
   84   1HG   ARG  11          1HG       ARG  11  -9.866   8.999   2.929
   85   2HG   ARG  11          2HG       ARG  11  -9.273   7.363   3.218
   86   1HD   ARG  11          1HD       ARG  11 -10.853   8.963   5.222
   87   2HD   ARG  11          2HD       ARG  11 -11.574   7.816   4.094
   88    HE   ARG  11           HE       ARG  11  -9.742   6.292   5.304
   89   1HH1  ARG  11          1HH1      ARG  11 -12.121   8.493   6.636
   90   2HH1  ARG  11          2HH1      ARG  11 -12.290   7.607   8.113
   91   1HH2  ARG  11          1HH2      ARG  11  -9.971   5.133   7.253
   92   2HH2  ARG  11          2HH2      ARG  11 -11.070   5.701   8.465
   93    H    PHE  12           H        PHE  12  -5.122   9.638   3.444
   94    HA   PHE  12           HA       PHE  12  -4.103   9.925   6.185
   95   1HB   PHE  12          1HB       PHE  12  -2.340   9.401   3.816
   96   2HB   PHE  12          2HB       PHE  12  -1.817   9.581   5.474
   97    HD1  PHE  12           HD1      PHE  12  -4.317   7.512   3.626
   98    HD2  PHE  12           HD2      PHE  12  -1.158   7.614   6.471
   99    HE1  PHE  12           HE1      PHE  12  -4.500   5.096   3.900
  100    HE2  PHE  12           HE2      PHE  12  -1.341   5.173   6.753
  101    HZ   PHE  12           HZ       PHE  12  -3.019   3.910   5.449
  102    H    MET  13           H        MET  13  -3.014  11.833   6.646
  103    HA   MET  13           HA       MET  13  -3.730  14.074   4.982
  104   1HB   MET  13          1HB       MET  13  -2.263  13.839   7.609
  105   2HB   MET  13          2HB       MET  13  -2.502  15.376   6.791
  106   1HG   MET  13          1HG       MET  13  -5.018  14.607   6.804
  107   2HG   MET  13          2HG       MET  13  -4.469  13.627   8.162
  108   1HE   MET  13          1HE       MET  13  -3.898  14.262  10.265
  109   2HE   MET  13          2HE       MET  13  -4.041  15.851  11.016
  110   3HE   MET  13          3HE       MET  13  -2.584  15.428  10.117
  111    H    ARG  14           H        ARG  14  -0.932  12.086   5.470
  112    HA   ARG  14           HA       ARG  14   0.801  13.982   4.059
  113   1HB   ARG  14          1HB       ARG  14   1.420  11.416   5.532
  114   2HB   ARG  14          2HB       ARG  14   2.619  12.367   4.668
  115   1HG   ARG  14          1HG       ARG  14   2.923  13.119   6.805
  116   2HG   ARG  14          2HG       ARG  14   1.762  14.302   6.201
  117   1HD   ARG  14          1HD       ARG  14   0.350  13.752   7.824
  118   2HD   ARG  14          2HD       ARG  14   0.305  12.091   7.225
  119    HE   ARG  14           HE       ARG  14   2.598  12.670   8.862
  120   1HH1  ARG  14          1HH1      ARG  14  -0.755  11.660   8.895
  121   2HH1  ARG  14          2HH1      ARG  14  -0.624  10.855  10.421
  122   1HH2  ARG  14          1HH2      ARG  14   2.763  11.604  10.871
  123   2HH2  ARG  14          2HH2      ARG  14   1.372  10.823  11.543
  124    H    SER  15           H        SER  15   2.103  13.225   2.269
  125    HA   SER  15           HA       SER  15   0.604  11.393   0.567
  126   1HB   SER  15          1HB       SER  15   1.042  13.019  -0.869
  127   2HB   SER  15          2HB       SER  15   2.329  13.698   0.125
  128    HG   SER  15           HG       SER  15   3.770  12.607  -0.993
  129    H    ASP  16           H        ASP  16   3.899  11.802   1.843
  130    HA   ASP  16           HA       ASP  16   4.904   9.433   0.613
  131   1HB   ASP  16          1HB       ASP  16   6.920   9.812   1.868
  132   2HB   ASP  16          2HB       ASP  16   6.333  11.367   1.297
  133    H    HIS  17           H        HIS  17   3.594  10.176   3.818
  134    HA   HIS  17           HA       HIS  17   4.203   7.673   5.002
  135   1HB   HIS  17          1HB       HIS  17   2.165   9.798   5.650
  136   2HB   HIS  17          2HB       HIS  17   2.296   8.313   6.579
  137    HD1  HIS  17           HD1      HIS  17   2.850  10.045   8.563
  138    HD2  HIS  17           HD2      HIS  17   5.728   9.659   5.593
  139    HE1  HIS  17           HE1      HIS  17   4.944  11.037   9.525
  140    HE2  HIS  17           HE2      HIS  17   6.697  10.716   7.745
  141    H    LEU  18           H        LEU  18   1.313   8.922   3.353
  142    HA   LEU  18           HA       LEU  18  -0.351   6.704   3.695
  143   1HB   LEU  18          1HB       LEU  18  -0.927   8.985   2.746
  144   2HB   LEU  18          2HB       LEU  18  -0.267   8.428   1.230
  145    HG   LEU  18           HG       LEU  18  -2.405   6.823   2.549
  146   1HD1  LEU  18          1HD1      LEU  18  -3.610   8.752   2.631
  147   2HD1  LEU  18          2HD1      LEU  18  -3.920   8.287   0.961
  148   3HD1  LEU  18          3HD1      LEU  18  -2.697   9.506   1.329
  149   1HD2  LEU  18          1HD2      LEU  18  -1.914   5.671   0.698
  150   2HD2  LEU  18          2HD2      LEU  18  -1.150   7.057  -0.086
  151   3HD2  LEU  18          3HD2      LEU  18  -2.906   6.888  -0.110
  152    H    THR  19           H        THR  19   1.955   7.476   1.104
  153    HA   THR  19           HA       THR  19   1.471   5.224  -0.469
  154    HB   THR  19           HB       THR  19   4.052   6.778  -0.173
  155    HG1  THR  19           HG1      THR  19   1.832   7.126  -1.905
  156   1HG2  THR  19          1HG2      THR  19   4.577   4.811  -1.378
  157   2HG2  THR  19          2HG2      THR  19   4.400   6.107  -2.560
  158   3HG2  THR  19          3HG2      THR  19   3.106   4.929  -2.343
  159    H    LEU  20           H        LEU  20   3.484   5.683   2.384
  160    HA   LEU  20           HA       LEU  20   5.024   3.340   2.244
  161   1HB   LEU  20          1HB       LEU  20   5.356   5.211   3.863
  162   2HB   LEU  20          2HB       LEU  20   3.927   4.680   4.724
  163    HG   LEU  20           HG       LEU  20   6.157   4.009   5.709
  164   1HD1  LEU  20          1HD1      LEU  20   4.702   1.495   5.189
  165   2HD1  LEU  20          2HD1      LEU  20   3.763   2.828   5.861
  166   3HD1  LEU  20          3HD1      LEU  20   5.189   2.236   6.714
  167   1HD2  LEU  20          1HD2      LEU  20   6.157   1.934   3.530
  168   2HD2  LEU  20          2HD2      LEU  20   7.387   2.222   4.761
  169   3HD2  LEU  20          3HD2      LEU  20   7.140   3.397   3.470
  170    H    HIS  21           H        HIS  21   1.800   3.964   3.544
  171    HA   HIS  21           HA       HIS  21   1.262   1.456   4.645
  172   1HB   HIS  21          1HB       HIS  21  -0.654   2.492   5.175
  173   2HB   HIS  21          2HB       HIS  21  -0.105   3.890   4.292
  174    HD1  HIS  21           HD1      HIS  21  -2.075   4.697   2.986
  175    HD2  HIS  21           HD2      HIS  21  -1.698   0.582   2.823
  176    HE1  HIS  21           HE1      HIS  21  -3.952   3.853   1.529
  177    H    ILE  22           H        ILE  22   0.462   2.758   1.459
  178    HA   ILE  22           HA       ILE  22  -0.896   0.578   0.450
  179    HB   ILE  22           HB       ILE  22   0.797   2.352  -1.299
  180   1HG1  ILE  22          1HG1      ILE  22  -2.029   3.041  -0.698
  181   2HG1  ILE  22          2HG1      ILE  22  -0.863   3.402   0.553
  182   1HG2  ILE  22          1HG2      ILE  22  -1.953   1.335  -1.882
  183   2HG2  ILE  22          2HG2      ILE  22  -0.555   0.286  -2.129
  184   3HG2  ILE  22          3HG2      ILE  22  -0.678   1.811  -3.004
  185   1HD1  ILE  22          1HD1      ILE  22  -1.462   4.832  -1.823
  186   2HD1  ILE  22          2HD1      ILE  22   0.228   4.330  -1.856
  187   3HD1  ILE  22          3HD1      ILE  22  -0.388   5.269  -0.496
  188    H    LEU  23           H        LEU  23   2.462   0.724   1.112
  189    HA   LEU  23           HA       LEU  23   3.488  -1.018  -0.829
  190   1HB   LEU  23          1HB       LEU  23   4.436   0.211   1.507
  191   2HB   LEU  23          2HB       LEU  23   4.663  -1.508   1.751
  192    HG   LEU  23           HG       LEU  23   5.812  -1.514  -0.539
  193   1HD1  LEU  23          1HD1      LEU  23   6.822   0.634  -1.184
  194   2HD1  LEU  23          2HD1      LEU  23   5.855   1.443   0.048
  195   3HD1  LEU  23          3HD1      LEU  23   5.063   0.653  -1.315
  196   1HD2  LEU  23          1HD2      LEU  23   6.959  -1.752   1.636
  197   2HD2  LEU  23          2HD2      LEU  23   7.128   0.001   1.711
  198   3HD2  LEU  23          3HD2      LEU  23   7.935  -0.908   0.434
  199    H    LEU  24           H        LEU  24   1.483  -1.591   1.971
  200    HA   LEU  24           HA       LEU  24   1.903  -4.283   2.493
  201   1HB   LEU  24          1HB       LEU  24  -0.808  -2.951   2.448
  202   2HB   LEU  24          2HB       LEU  24  -0.345  -4.363   3.375
  203    HG   LEU  24           HG       LEU  24   1.185  -1.893   3.939
  204   1HD1  LEU  24          1HD1      LEU  24  -1.606  -2.174   5.024
  205   2HD1  LEU  24          2HD1      LEU  24  -1.242  -1.185   3.610
  206   3HD1  LEU  24          3HD1      LEU  24  -0.505  -0.803   5.166
  207   1HD2  LEU  24          1HD2      LEU  24  -0.115  -3.989   5.676
  208   2HD2  LEU  24          2HD2      LEU  24   0.972  -2.713   6.225
  209   3HD2  LEU  24          3HD2      LEU  24   1.571  -3.980   5.153
  210    H    HIS  25           H        HIS  25  -0.325  -2.809   0.148
  211    HA   HIS  25           HA       HIS  25  -1.376  -5.195  -0.901
  212   1HB   HIS  25          1HB       HIS  25  -1.056  -2.609  -2.433
  213   2HB   HIS  25          2HB       HIS  25  -2.270  -3.860  -2.678
  214    HD1  HIS  25           HD1      HIS  25  -3.939  -4.149  -0.445
  215    HD2  HIS  25           HD2      HIS  25  -1.919  -0.552  -0.950
  216    HE1  HIS  25           HE1      HIS  25  -5.145  -2.446   0.989
  217    H    GLU  26           H        GLU  26   1.379  -3.206  -1.943
  218    HA   GLU  26           HA       GLU  26   2.035  -5.132  -4.033
  219   1HB   GLU  26          1HB       GLU  26   2.154  -2.552  -4.250
  220   2HB   GLU  26          2HB       GLU  26   3.658  -2.694  -3.352
  221   1HG   GLU  26          1HG       GLU  26   4.732  -3.812  -5.062
  222   2HG   GLU  26          2HG       GLU  26   3.223  -4.351  -5.796
  223    H    ASN  27           H        ASN  27   2.266  -6.552  -1.883
  224    HA   ASN  27           HA       ASN  27   5.024  -7.211  -1.703
  225   1HB   ASN  27          1HB       ASN  27   4.740  -5.201  -0.112
  226   2HB   ASN  27          2HB       ASN  27   3.846  -6.312   0.922
  227   1HD2  ASN  27          1HD2      ASN  27   6.949  -5.778  -0.660
  228   2HD2  ASN  27          2HD2      ASN  27   7.886  -6.680   0.476
  229    H    LYS  28           H        LYS  28   4.362  -9.265  -2.263
  230    HA   LYS  28           HA       LYS  28   3.454 -10.932  -0.116
  231   1HB   LYS  28          1HB       LYS  28   1.390 -11.683  -0.978
  232   2HB   LYS  28          2HB       LYS  28   1.326  -9.932  -1.091
  233   1HG   LYS  28          1HG       LYS  28   2.159 -11.615  -3.428
  234   2HG   LYS  28          2HG       LYS  28   0.462 -11.309  -3.065
  235   1HD   LYS  28          1HD       LYS  28   0.611  -9.077  -3.581
  236   2HD   LYS  28          2HD       LYS  28   2.329  -8.990  -3.189
  237   1HE   LYS  28          1HE       LYS  28   2.366  -8.832  -5.489
  238   2HE   LYS  28          2HE       LYS  28   2.604 -10.562  -5.244
  239   1HZ   LYS  28          1HZ       LYS  28   0.033  -9.228  -5.908
  240   2HZ   LYS  28          2HZ       LYS  28   0.224 -10.885  -5.626
  241   3HZ   LYS  28          3HZ       LYS  28   0.973 -10.164  -6.959
  242    H    LYS  29           H        LYS  29   3.976 -13.068  -0.401
  243    HA   LYS  29           HA       LYS  29   4.496 -14.304  -2.882
  244   1HB   LYS  29          1HB       LYS  29   7.023 -14.584  -2.475
  245   2HB   LYS  29          2HB       LYS  29   6.462 -13.069  -3.167
  246   1HG   LYS  29          1HG       LYS  29   6.458 -12.750  -0.359
  247   2HG   LYS  29          2HG       LYS  29   7.990 -13.506  -0.805
  248   1HD   LYS  29          1HD       LYS  29   8.546 -11.739  -2.272
  249   2HD   LYS  29          2HD       LYS  29   6.905 -11.091  -2.235
  250   1HE   LYS  29          1HE       LYS  29   8.262 -11.279   0.374
  251   2HE   LYS  29          2HE       LYS  29   8.956 -10.123  -0.762
  252   1HZ   LYS  29          1HZ       LYS  29   7.249  -9.139   0.673
  253   2HZ   LYS  29          2HZ       LYS  29   6.097 -10.201   0.038
  254   3HZ   LYS  29          3HZ       LYS  29   6.827  -9.050  -0.964
  Start of MODEL   35
    1    H    TYR   1           H        TYR   1  -7.104  13.612   6.840
    2    HA   TYR   1           HA       TYR   1  -7.239  11.417   5.748
    3   1HB   TYR   1          1HB       TYR   1 -10.188  12.013   6.100
    4   2HB   TYR   1          2HB       TYR   1  -9.550  10.771   5.033
    5    HD1  TYR   1           HD1      TYR   1  -7.339   9.772   6.880
    6    HD2  TYR   1           HD2      TYR   1 -11.442  10.659   7.575
    7    HE1  TYR   1           HE1      TYR   1  -7.364   8.166   8.739
    8    HE2  TYR   1           HE2      TYR   1 -11.477   9.056   9.439
    9    HH   TYR   1           HH       TYR   1  -9.211   8.065  11.061
   10    H    LYS   2           H        LYS   2  -6.108  12.799   4.351
   11    HA   LYS   2           HA       LYS   2  -7.653  14.662   2.715
   12   1HB   LYS   2          1HB       LYS   2  -5.444  15.302   3.764
   13   2HB   LYS   2          2HB       LYS   2  -4.673  14.186   2.646
   14   1HG   LYS   2          1HG       LYS   2  -5.205  15.488   0.787
   15   2HG   LYS   2          2HG       LYS   2  -6.445  16.390   1.662
   16   1HD   LYS   2          1HD       LYS   2  -4.673  17.896   1.529
   17   2HD   LYS   2          2HD       LYS   2  -4.503  17.207   3.145
   18   1HE   LYS   2          1HE       LYS   2  -2.346  17.018   2.437
   19   2HE   LYS   2          2HE       LYS   2  -2.971  15.480   1.846
   20   1HZ   LYS   2          1HZ       LYS   2  -3.261  16.451  -0.330
   21   2HZ   LYS   2          2HZ       LYS   2  -1.661  16.660   0.172
   22   3HZ   LYS   2          3HZ       LYS   2  -2.740  17.961   0.227
   23    H    PHE   3           H        PHE   3  -5.201  12.118   2.123
   24    HA   PHE   3           HA       PHE   3  -6.127  11.831  -0.610
   25   1HB   PHE   3          1HB       PHE   3  -3.790  10.818   0.970
   26   2HB   PHE   3          2HB       PHE   3  -4.217  10.065  -0.550
   27    HD1  PHE   3           HD1      PHE   3  -2.500  12.747   1.019
   28    HD2  PHE   3           HD2      PHE   3  -4.364  11.562  -2.620
   29    HE1  PHE   3           HE1      PHE   3  -1.254  14.494  -0.184
   30    HE2  PHE   3           HE2      PHE   3  -3.121  13.307  -3.829
   31    HZ   PHE   3           HZ       PHE   3  -1.564  14.776  -2.611
   32    H    ALA   4           H        ALA   4  -5.974   9.355  -1.343
   33    HA   ALA   4           HA       ALA   4  -7.192   7.522   0.529
   34   1HB   ALA   4          1HB       ALA   4  -9.134   8.791  -0.227
   35   2HB   ALA   4          2HB       ALA   4  -9.200   7.127  -0.807
   36   3HB   ALA   4          3HB       ALA   4  -8.727   8.424  -1.905
   37    H    CYS   5           H        CYS   5  -6.865   5.397  -0.018
   38    HA   CYS   5           HA       CYS   5  -4.970   4.858  -2.099
   39   1HB   CYS   5          1HB       CYS   5  -5.171   3.674   0.179
   40   2HB   CYS   5          2HB       CYS   5  -6.479   2.758  -0.555
   41    HG   CYS   5           HG       CYS   5  -3.894   1.739  -0.701
   42    HA   PRO   6           HA       PRO   6  -7.860   3.932  -5.344
   43   1HB   PRO   6          1HB       PRO   6  -6.222   2.539  -6.991
   44   2HB   PRO   6          2HB       PRO   6  -6.111   4.292  -6.795
   45   1HG   PRO   6          1HG       PRO   6  -4.458   2.137  -5.534
   46   2HG   PRO   6          2HG       PRO   6  -3.936   3.679  -6.238
   47   1HD   PRO   6          1HD       PRO   6  -4.217   3.304  -3.568
   48   2HD   PRO   6          2HD       PRO   6  -4.496   4.873  -4.352
   49    H    GLU   7           H        GLU   7  -6.194   1.476  -3.520
   50    HA   GLU   7           HA       GLU   7  -7.908  -0.632  -4.609
   51   1HB   GLU   7          1HB       GLU   7  -5.285  -0.567  -3.195
   52   2HB   GLU   7          2HB       GLU   7  -6.298  -1.986  -2.994
   53   1HG   GLU   7          1HG       GLU   7  -4.870  -2.500  -4.770
   54   2HG   GLU   7          2HG       GLU   7  -6.410  -2.088  -5.525
   55    H    CYS   8           H        CYS   8  -6.802   0.639  -1.453
   56    HA   CYS   8           HA       CYS   8  -9.180  -0.574  -0.211
   57   1HB   CYS   8          1HB       CYS   8  -8.003  -0.541   1.873
   58   2HB   CYS   8          2HB       CYS   8  -6.927  -1.220   0.664
   59    HG   CYS   8           HG       CYS   8  -5.347   0.634   1.001
   60    HA   PRO   9           HA       PRO   9 -10.708   3.415   0.901
   61   1HB   PRO   9          1HB       PRO   9 -12.077   2.902   3.142
   62   2HB   PRO   9          2HB       PRO   9 -12.515   2.163   1.599
   63   1HG   PRO   9          1HG       PRO   9 -11.136   0.972   3.944
   64   2HG   PRO   9          2HG       PRO   9 -12.224   0.213   2.772
   65   1HD   PRO   9          1HD       PRO   9  -9.395   0.119   2.780
   66   2HD   PRO   9          2HD       PRO   9 -10.472  -0.447   1.493
   67    H    LYS  10           H        LYS  10  -7.901   2.924   2.002
   68    HA   LYS  10           HA       LYS  10  -7.923   4.181   4.596
   69   1HB   LYS  10          1HB       LYS  10  -5.584   3.639   2.760
   70   2HB   LYS  10          2HB       LYS  10  -5.475   4.138   4.420
   71   1HG   LYS  10          1HG       LYS  10  -6.999   1.667   3.844
   72   2HG   LYS  10          2HG       LYS  10  -5.241   1.611   3.704
   73   1HD   LYS  10          1HD       LYS  10  -4.915   1.965   5.945
   74   2HD   LYS  10          2HD       LYS  10  -6.426   2.856   6.135
   75   1HE   LYS  10          1HE       LYS  10  -6.658   0.762   7.263
   76   2HE   LYS  10          2HE       LYS  10  -7.651   0.707   5.808
   77   1HZ   LYS  10          1HZ       LYS  10  -6.036  -0.634   4.722
   78   2HZ   LYS  10          2HZ       LYS  10  -6.317  -1.332   6.237
   79   3HZ   LYS  10          3HZ       LYS  10  -4.912  -0.427   5.970
   80    H    ARG  11           H        ARG  11  -6.993   6.216   5.076
   81    HA   ARG  11           HA       ARG  11  -6.681   8.100   2.867
   82   1HB   ARG  11          1HB       ARG  11  -8.474   8.603   5.238
   83   2HB   ARG  11          2HB       ARG  11  -8.121   9.740   3.956
   84   1HG   ARG  11          1HG       ARG  11  -9.409   8.601   2.403
   85   2HG   ARG  11          2HG       ARG  11  -9.360   7.097   3.323
   86   1HD   ARG  11          1HD       ARG  11 -10.557   9.038   4.984
   87   2HD   ARG  11          2HD       ARG  11 -11.300   9.198   3.394
   88    HE   ARG  11           HE       ARG  11 -12.268   7.127   3.654
   89   1HH1  ARG  11          1HH1      ARG  11  -9.927   7.626   6.213
   90   2HH1  ARG  11          2HH1      ARG  11 -10.448   6.249   7.123
   91   1HH2  ARG  11          1HH2      ARG  11 -12.947   5.317   4.859
   92   2HH2  ARG  11          2HH2      ARG  11 -12.161   4.938   6.355
   93    H    PHE  12           H        PHE  12  -5.162   9.650   3.227
   94    HA   PHE  12           HA       PHE  12  -4.104   9.999   5.935
   95   1HB   PHE  12          1HB       PHE  12  -2.286   9.462   3.616
   96   2HB   PHE  12          2HB       PHE  12  -1.835   9.592   5.299
   97    HD1  PHE  12           HD1      PHE  12  -4.162   7.576   3.193
   98    HD2  PHE  12           HD2      PHE  12  -1.331   7.614   6.365
   99    HE1  PHE  12           HE1      PHE  12  -4.379   5.150   3.401
  100    HE2  PHE  12           HE2      PHE  12  -1.546   5.169   6.582
  101    HZ   PHE  12           HZ       PHE  12  -3.073   3.935   5.083
  102    H    MET  13           H        MET  13  -3.179  11.969   6.348
  103    HA   MET  13           HA       MET  13  -3.821  14.095   4.514
  104   1HB   MET  13          1HB       MET  13  -2.577  14.021   7.257
  105   2HB   MET  13          2HB       MET  13  -2.704  15.512   6.335
  106   1HG   MET  13          1HG       MET  13  -5.111  15.315   6.280
  107   2HG   MET  13          2HG       MET  13  -5.025  13.762   7.110
  108   1HE   MET  13          1HE       MET  13  -4.398  14.543  10.724
  109   2HE   MET  13          2HE       MET  13  -3.817  13.500   9.427
  110   3HE   MET  13          3HE       MET  13  -5.549  13.688   9.697
  111    H    ARG  14           H        ARG  14  -1.080  12.130   5.147
  112    HA   ARG  14           HA       ARG  14   0.761  14.036   3.897
  113   1HB   ARG  14          1HB       ARG  14   1.311  11.387   5.251
  114   2HB   ARG  14          2HB       ARG  14   2.534  12.475   4.614
  115   1HG   ARG  14          1HG       ARG  14   2.565  12.961   6.865
  116   2HG   ARG  14          2HG       ARG  14   1.484  14.205   6.234
  117   1HD   ARG  14          1HD       ARG  14  -0.095  13.516   7.635
  118   2HD   ARG  14          2HD       ARG  14  -0.111  11.951   6.817
  119    HE   ARG  14           HE       ARG  14   1.943  12.297   8.835
  120   1HH1  ARG  14          1HH1      ARG  14  -1.280  11.127   8.117
  121   2HH1  ARG  14          2HH1      ARG  14  -1.322  10.049   9.469
  122   1HH2  ARG  14          1HH2      ARG  14   1.882  10.872  10.614
  123   2HH2  ARG  14          2HH2      ARG  14   0.472   9.903  10.886
  124    H    SER  15           H        SER  15   2.184  13.284   2.186
  125    HA   SER  15           HA       SER  15   0.765  11.521   0.343
  126   1HB   SER  15          1HB       SER  15   1.301  13.172  -1.029
  127   2HB   SER  15          2HB       SER  15   2.512  13.831   0.066
  128    HG   SER  15           HG       SER  15   4.031  12.780  -0.978
  129    H    ASP  16           H        ASP  16   4.015  11.912   1.745
  130    HA   ASP  16           HA       ASP  16   5.045   9.538   0.549
  131   1HB   ASP  16          1HB       ASP  16   7.031   9.920   1.846
  132   2HB   ASP  16          2HB       ASP  16   6.454  11.476   1.267
  133    H    HIS  17           H        HIS  17   3.633  10.275   3.712
  134    HA   HIS  17           HA       HIS  17   4.239   7.768   4.901
  135   1HB   HIS  17          1HB       HIS  17   2.175   9.874   5.536
  136   2HB   HIS  17          2HB       HIS  17   2.333   8.394   6.469
  137    HD1  HIS  17           HD1      HIS  17   2.833  10.233   8.410
  138    HD2  HIS  17           HD2      HIS  17   5.767   9.700   5.520
  139    HE1  HIS  17           HE1      HIS  17   4.921  11.232   9.382
  140    HE2  HIS  17           HE2      HIS  17   6.706  10.822   7.653
  141    H    LEU  18           H        LEU  18   1.393   9.011   3.175
  142    HA   LEU  18           HA       LEU  18  -0.281   6.797   3.509
  143   1HB   LEU  18          1HB       LEU  18  -0.896   9.032   2.555
  144   2HB   LEU  18          2HB       LEU  18  -0.118   8.558   1.068
  145    HG   LEU  18           HG       LEU  18  -2.298   6.862   2.207
  146   1HD1  LEU  18          1HD1      LEU  18  -3.991   8.176   1.442
  147   2HD1  LEU  18          2HD1      LEU  18  -2.975   8.968   0.238
  148   3HD1  LEU  18          3HD1      LEU  18  -2.847   9.424   1.936
  149   1HD2  LEU  18          1HD2      LEU  18  -1.698   5.710   0.401
  150   2HD2  LEU  18          2HD2      LEU  18  -0.798   7.068  -0.278
  151   3HD2  LEU  18          3HD2      LEU  18  -2.543   6.964  -0.511
  152    H    THR  19           H        THR  19   2.104   7.534   0.980
  153    HA   THR  19           HA       THR  19   1.638   5.275  -0.589
  154    HB   THR  19           HB       THR  19   4.234   6.794  -0.239
  155    HG1  THR  19           HG1      THR  19   2.049   7.195  -2.001
  156   1HG2  THR  19          1HG2      THR  19   4.744   4.821  -1.443
  157   2HG2  THR  19          2HG2      THR  19   4.617   6.130  -2.619
  158   3HG2  THR  19          3HG2      THR  19   3.295   4.976  -2.438
  159    H    LEU  20           H        LEU  20   3.566   5.735   2.317
  160    HA   LEU  20           HA       LEU  20   5.097   3.381   2.225
  161   1HB   LEU  20          1HB       LEU  20   5.428   5.263   3.825
  162   2HB   LEU  20          2HB       LEU  20   3.973   4.771   4.665
  163    HG   LEU  20           HG       LEU  20   6.164   4.081   5.715
  164   1HD1  LEU  20          1HD1      LEU  20   5.156   2.327   6.715
  165   2HD1  LEU  20          2HD1      LEU  20   4.687   1.580   5.188
  166   3HD1  LEU  20          3HD1      LEU  20   3.757   2.933   5.830
  167   1HD2  LEU  20          1HD2      LEU  20   7.133   3.407   3.446
  168   2HD2  LEU  20          2HD2      LEU  20   6.211   1.916   3.639
  169   3HD2  LEU  20          3HD2      LEU  20   7.448   2.346   4.819
  170    H    HIS  21           H        HIS  21   1.855   4.041   3.471
  171    HA   HIS  21           HA       HIS  21   1.268   1.580   4.620
  172   1HB   HIS  21          1HB       HIS  21  -0.684   2.611   5.018
  173   2HB   HIS  21          2HB       HIS  21  -0.085   3.988   4.134
  174    HD1  HIS  21           HD1      HIS  21  -1.937   4.772   2.657
  175    HD2  HIS  21           HD2      HIS  21  -1.651   0.646   2.706
  176    HE1  HIS  21           HE1      HIS  21  -3.744   3.898   1.127
  177    H    ILE  22           H        ILE  22   0.595   2.738   1.356
  178    HA   ILE  22           HA       ILE  22  -0.754   0.562   0.371
  179    HB   ILE  22           HB       ILE  22   1.099   2.230  -1.323
  180   1HG1  ILE  22          1HG1      ILE  22  -1.766   2.934  -0.945
  181   2HG1  ILE  22          2HG1      ILE  22  -0.673   3.359   0.351
  182   1HG2  ILE  22          1HG2      ILE  22  -0.165   1.582  -3.127
  183   2HG2  ILE  22          2HG2      ILE  22  -1.598   1.278  -2.141
  184   3HG2  ILE  22          3HG2      ILE  22  -0.264   0.121  -2.142
  185   1HD1  ILE  22          1HD1      ILE  22   0.598   4.209  -1.959
  186   2HD1  ILE  22          2HD1      ILE  22  -0.243   5.201  -0.767
  187   3HD1  ILE  22          3HD1      ILE  22  -1.102   4.614  -2.189
  188    H    LEU  23           H        LEU  23   2.602   0.649   1.151
  189    HA   LEU  23           HA       LEU  23   3.629  -1.247  -0.630
  190   1HB   LEU  23          1HB       LEU  23   4.366  -0.238   2.040
  191   2HB   LEU  23          2HB       LEU  23   4.970  -1.837   1.660
  192    HG   LEU  23           HG       LEU  23   5.379   0.319  -0.355
  193   1HD1  LEU  23          1HD1      LEU  23   6.905   0.079   2.230
  194   2HD1  LEU  23          2HD1      LEU  23   6.034   1.486   1.617
  195   3HD1  LEU  23          3HD1      LEU  23   7.501   0.936   0.808
  196   1HD2  LEU  23          1HD2      LEU  23   7.109  -1.957   0.609
  197   2HD2  LEU  23          2HD2      LEU  23   7.417  -0.918  -0.783
  198   3HD2  LEU  23          3HD2      LEU  23   6.035  -2.016  -0.789
  199    H    LEU  24           H        LEU  24   1.498  -1.603   2.119
  200    HA   LEU  24           HA       LEU  24   1.808  -4.298   2.751
  201   1HB   LEU  24          1HB       LEU  24  -0.850  -2.872   2.633
  202   2HB   LEU  24          2HB       LEU  24  -0.427  -4.243   3.636
  203    HG   LEU  24           HG       LEU  24   1.179  -1.802   4.078
  204   1HD1  LEU  24          1HD1      LEU  24  -1.633  -1.900   5.139
  205   2HD1  LEU  24          2HD1      LEU  24  -1.213  -1.016   3.670
  206   3HD1  LEU  24          3HD1      LEU  24  -0.477  -0.571   5.211
  207   1HD2  LEU  24          1HD2      LEU  24   1.454  -3.835   5.413
  208   2HD2  LEU  24          2HD2      LEU  24  -0.232  -3.730   5.918
  209   3HD2  LEU  24          3HD2      LEU  24   0.913  -2.479   6.402
  210    H    HIS  25           H        HIS  25  -0.297  -2.786   0.318
  211    HA   HIS  25           HA       HIS  25  -1.533  -5.082  -0.668
  212   1HB   HIS  25          1HB       HIS  25  -0.806  -2.580  -2.212
  213   2HB   HIS  25          2HB       HIS  25  -2.022  -3.765  -2.676
  214    HD1  HIS  25           HD1      HIS  25  -3.807  -4.077  -0.360
  215    HD2  HIS  25           HD2      HIS  25  -2.040  -0.420  -1.241
  216    HE1  HIS  25           HE1      HIS  25  -5.213  -2.312   0.779
  217    H    GLU  26           H        GLU  26   1.528  -3.562  -1.618
  218    HA   GLU  26           HA       GLU  26   2.069  -5.295  -3.795
  219   1HB   GLU  26          1HB       GLU  26   3.806  -3.499  -2.110
  220   2HB   GLU  26          2HB       GLU  26   4.474  -4.487  -3.400
  221   1HG   GLU  26          1HG       GLU  26   4.140  -2.480  -4.462
  222   2HG   GLU  26          2HG       GLU  26   2.664  -3.352  -4.867
  223    H    ASN  27           H        ASN  27   3.140  -5.298  -0.401
  224    HA   ASN  27           HA       ASN  27   3.330  -8.160  -0.378
  225   1HB   ASN  27          1HB       ASN  27   5.676  -6.673  -1.040
  226   2HB   ASN  27          2HB       ASN  27   5.898  -7.361   0.566
  227   1HD2  ASN  27          1HD2      ASN  27   5.333  -9.708   0.757
  228   2HD2  ASN  27          2HD2      ASN  27   5.778 -10.734  -0.560
  229    H    LYS  28           H        LYS  28   2.846  -8.880   1.600
  230    HA   LYS  28           HA       LYS  28   2.468  -6.980   3.736
  231   1HB   LYS  28          1HB       LYS  28   0.990  -9.030   3.118
  232   2HB   LYS  28          2HB       LYS  28   2.162  -9.950   4.050
  233   1HG   LYS  28          1HG       LYS  28   1.394  -9.184   6.013
  234   2HG   LYS  28          2HG       LYS  28   1.142  -7.551   5.395
  235   1HD   LYS  28          1HD       LYS  28  -0.866  -8.491   4.154
  236   2HD   LYS  28          2HD       LYS  28  -0.670  -9.940   5.143
  237   1HE   LYS  28          1HE       LYS  28  -0.902  -8.584   7.169
  238   2HE   LYS  28          2HE       LYS  28  -1.099  -7.139   6.179
  239   1HZ   LYS  28          1HZ       LYS  28  -2.920  -9.485   6.206
  240   2HZ   LYS  28          2HZ       LYS  28  -3.107  -8.113   5.235
  241   3HZ   LYS  28          3HZ       LYS  28  -3.230  -7.981   6.917
  242    H    LYS  29           H        LYS  29   3.636  -6.750   5.576
  243    HA   LYS  29           HA       LYS  29   6.040  -8.433   5.862
  244   1HB   LYS  29          1HB       LYS  29   7.092  -6.402   6.941
  245   2HB   LYS  29          2HB       LYS  29   6.809  -6.288   5.210
  246   1HG   LYS  29          1HG       LYS  29   4.640  -5.262   6.919
  247   2HG   LYS  29          2HG       LYS  29   6.160  -4.368   6.984
  248   1HD   LYS  29          1HD       LYS  29   5.235  -5.104   4.283
  249   2HD   LYS  29          2HD       LYS  29   4.220  -3.944   5.142
  250   1HE   LYS  29          1HE       LYS  29   5.689  -2.509   4.141
  251   2HE   LYS  29          2HE       LYS  29   6.542  -2.807   5.655
  252   1HZ   LYS  29          1HZ       LYS  29   7.989  -2.971   3.698
  253   2HZ   LYS  29          2HZ       LYS  29   7.056  -4.253   3.111
  254   3HZ   LYS  29          3HZ       LYS  29   7.918  -4.428   4.556
  Start of MODEL   36
    1    H    TYR   1           H        TYR   1  -7.280  14.666   6.104
    2    HA   TYR   1           HA       TYR   1  -7.236  12.320   5.316
    3   1HB   TYR   1          1HB       TYR   1 -10.192  12.855   4.945
    4   2HB   TYR   1          2HB       TYR   1  -9.322  11.379   4.548
    5    HD1  TYR   1           HD1      TYR   1 -11.716  12.375   6.610
    6    HD2  TYR   1           HD2      TYR   1  -7.776  10.795   6.923
    7    HE1  TYR   1           HE1      TYR   1 -12.259  11.475   8.832
    8    HE2  TYR   1           HE2      TYR   1  -8.311   9.888   9.145
    9    HH   TYR   1           HH       TYR   1 -11.044   9.265  10.271
   10    H    LYS   2           H        LYS   2  -5.949  13.357   3.830
   11    HA   LYS   2           HA       LYS   2  -7.201  15.114   1.859
   12   1HB   LYS   2          1HB       LYS   2  -4.891  15.442   3.122
   13   2HB   LYS   2          2HB       LYS   2  -4.291  14.467   1.788
   14   1HG   LYS   2          1HG       LYS   2  -4.235  16.257   0.493
   15   2HG   LYS   2          2HG       LYS   2  -5.971  16.484   0.710
   16   1HD   LYS   2          1HD       LYS   2  -5.112  18.492   1.482
   17   2HD   LYS   2          2HD       LYS   2  -5.288  17.563   2.973
   18   1HE   LYS   2          1HE       LYS   2  -2.777  16.862   2.192
   19   2HE   LYS   2          2HE       LYS   2  -2.868  18.524   1.611
   20   1HZ   LYS   2          1HZ       LYS   2  -2.004  18.448   3.852
   21   2HZ   LYS   2          2HZ       LYS   2  -3.374  17.620   4.396
   22   3HZ   LYS   2          3HZ       LYS   2  -3.512  19.214   3.849
   23    H    PHE   3           H        PHE   3  -5.018  12.279   1.835
   24    HA   PHE   3           HA       PHE   3  -5.829  11.729  -0.924
   25   1HB   PHE   3          1HB       PHE   3  -3.443  11.170   0.725
   26   2HB   PHE   3          2HB       PHE   3  -3.907   9.905  -0.397
   27    HD1  PHE   3           HD1      PHE   3  -2.420  13.158  -0.010
   28    HD2  PHE   3           HD2      PHE   3  -4.033  10.418  -2.839
   29    HE1  PHE   3           HE1      PHE   3  -1.307  14.384  -1.827
   30    HE2  PHE   3           HE2      PHE   3  -2.921  11.640  -4.662
   31    HZ   PHE   3           HZ       PHE   3  -1.555  13.626  -4.157
   32    H    ALA   4           H        ALA   4  -5.742   9.235  -1.398
   33    HA   ALA   4           HA       ALA   4  -6.833   7.537   0.655
   34   1HB   ALA   4          1HB       ALA   4  -8.588   8.335  -1.665
   35   2HB   ALA   4          2HB       ALA   4  -8.834   8.778   0.024
   36   3HB   ALA   4          3HB       ALA   4  -8.960   7.091  -0.473
   37    H    CYS   5           H        CYS   5  -6.736   5.343   0.116
   38    HA   CYS   5           HA       CYS   5  -4.933   4.678  -2.008
   39   1HB   CYS   5          1HB       CYS   5  -5.169   3.517   0.287
   40   2HB   CYS   5          2HB       CYS   5  -6.520   2.661  -0.438
   41    HG   CYS   5           HG       CYS   5  -3.909   1.606  -0.617
   42    HA   PRO   6           HA       PRO   6  -7.974   3.861  -5.143
   43   1HB   PRO   6          1HB       PRO   6  -6.408   2.568  -6.916
   44   2HB   PRO   6          2HB       PRO   6  -6.264   4.306  -6.626
   45   1HG   PRO   6          1HG       PRO   6  -4.588   2.064  -5.570
   46   2HG   PRO   6          2HG       PRO   6  -4.081   3.648  -6.186
   47   1HD   PRO   6          1HD       PRO   6  -4.297   3.059  -3.527
   48   2HD   PRO   6          2HD       PRO   6  -4.499   4.694  -4.189
   49    H    GLU   7           H        GLU   7  -6.258   1.393  -3.415
   50    HA   GLU   7           HA       GLU   7  -7.946  -0.723  -4.543
   51   1HB   GLU   7          1HB       GLU   7  -5.331  -0.828  -4.216
   52   2HB   GLU   7          2HB       GLU   7  -5.765  -1.252  -2.566
   53   1HG   GLU   7          1HG       GLU   7  -7.132  -2.733  -4.730
   54   2HG   GLU   7          2HG       GLU   7  -5.415  -3.058  -4.493
   55    H    CYS   8           H        CYS   8  -6.859   0.529  -1.375
   56    HA   CYS   8           HA       CYS   8  -9.217  -0.739  -0.146
   57   1HB   CYS   8          1HB       CYS   8  -8.036  -0.701   1.944
   58   2HB   CYS   8          2HB       CYS   8  -6.977  -1.393   0.727
   59    HG   CYS   8           HG       CYS   8  -6.619   1.549   1.661
   60    HA   PRO   9           HA       PRO   9 -10.778   3.225   1.011
   61   1HB   PRO   9          1HB       PRO   9 -12.202   2.661   3.196
   62   2HB   PRO   9          2HB       PRO   9 -12.580   1.920   1.637
   63   1HG   PRO   9          1HG       PRO   9 -11.218   0.749   4.008
   64   2HG   PRO   9          2HG       PRO   9 -12.290  -0.025   2.830
   65   1HD   PRO   9          1HD       PRO   9  -9.464  -0.097   2.851
   66   2HD   PRO   9          2HD       PRO   9 -10.527  -0.648   1.545
   67    H    LYS  10           H        LYS  10  -8.030   3.123   1.896
   68    HA   LYS  10           HA       LYS  10  -8.083   4.168   4.615
   69   1HB   LYS  10          1HB       LYS  10  -5.750   3.675   2.754
   70   2HB   LYS  10          2HB       LYS  10  -5.616   4.270   4.386
   71   1HG   LYS  10          1HG       LYS  10  -7.160   1.831   4.276
   72   2HG   LYS  10          2HG       LYS  10  -5.546   1.633   3.591
   73   1HD   LYS  10          1HD       LYS  10  -5.484   3.170   6.045
   74   2HD   LYS  10          2HD       LYS  10  -6.231   1.589   6.285
   75   1HE   LYS  10          1HE       LYS  10  -4.316   0.447   5.611
   76   2HE   LYS  10          2HE       LYS  10  -3.655   1.854   4.780
   77   1HZ   LYS  10          1HZ       LYS  10  -3.324   2.899   6.957
   78   2HZ   LYS  10          2HZ       LYS  10  -2.460   1.452   6.816
   79   3HZ   LYS  10          3HZ       LYS  10  -3.888   1.499   7.720
   80    H    ARG  11           H        ARG  11  -6.998   6.209   5.106
   81    HA   ARG  11           HA       ARG  11  -6.803   8.156   2.955
   82   1HB   ARG  11          1HB       ARG  11  -8.289   9.761   4.261
   83   2HB   ARG  11          2HB       ARG  11  -9.101   8.464   3.398
   84   1HG   ARG  11          1HG       ARG  11  -8.399   7.862   6.189
   85   2HG   ARG  11          2HG       ARG  11  -9.593   9.139   5.964
   86   1HD   ARG  11          1HD       ARG  11 -11.147   7.587   5.656
   87   2HD   ARG  11          2HD       ARG  11 -10.303   7.069   4.198
   88    HE   ARG  11           HE       ARG  11  -9.631   5.205   5.315
   89   1HH1  ARG  11          1HH1      ARG  11 -10.536   7.609   7.699
   90   2HH1  ARG  11          2HH1      ARG  11 -10.320   6.535   9.038
   91   1HH2  ARG  11          1HH2      ARG  11  -9.349   3.800   7.084
   92   2HH2  ARG  11          2HH2      ARG  11  -9.647   4.373   8.691
   93    H    PHE  12           H        PHE  12  -5.186   9.561   3.321
   94    HA   PHE  12           HA       PHE  12  -4.289   9.988   6.087
   95   1HB   PHE  12          1HB       PHE  12  -2.354   9.506   3.856
   96   2HB   PHE  12          2HB       PHE  12  -2.009   9.568   5.569
   97    HD1  PHE  12           HD1      PHE  12  -4.269   7.636   3.307
   98    HD2  PHE  12           HD2      PHE  12  -1.475   7.539   6.513
   99    HE1  PHE  12           HE1      PHE  12  -4.465   5.203   3.391
  100    HE2  PHE  12           HE2      PHE  12  -1.673   5.085   6.604
  101    HZ   PHE  12           HZ       PHE  12  -3.170   3.914   5.026
  102    H    MET  13           H        MET  13  -3.110  11.906   6.460
  103    HA   MET  13           HA       MET  13  -3.840  14.070   4.680
  104   1HB   MET  13          1HB       MET  13  -2.445  14.000   7.357
  105   2HB   MET  13          2HB       MET  13  -2.729  15.485   6.461
  106   1HG   MET  13          1HG       MET  13  -5.206  14.687   6.465
  107   2HG   MET  13          2HG       MET  13  -4.683  13.688   7.818
  108   1HE   MET  13          1HE       MET  13  -3.772  14.421   9.911
  109   2HE   MET  13          2HE       MET  13  -3.927  16.022  10.633
  110   3HE   MET  13          3HE       MET  13  -2.598  15.679   9.527
  111    H    ARG  14           H        ARG  14  -1.084  12.089   5.275
  112    HA   ARG  14           HA       ARG  14   0.728  13.964   3.936
  113   1HB   ARG  14          1HB       ARG  14   1.348  11.324   5.277
  114   2HB   ARG  14          2HB       ARG  14   2.522  12.481   4.671
  115   1HG   ARG  14          1HG       ARG  14   2.563  13.014   6.880
  116   2HG   ARG  14          2HG       ARG  14   1.279  14.100   6.343
  117   1HD   ARG  14          1HD       ARG  14  -0.110  13.150   7.792
  118   2HD   ARG  14          2HD       ARG  14   0.072  11.616   6.936
  119    HE   ARG  14           HE       ARG  14   2.181  12.187   8.820
  120   1HH1  ARG  14          1HH1      ARG  14  -0.978  10.737   8.381
  121   2HH1  ARG  14          2HH1      ARG  14  -0.822   9.689   9.749
  122   1HH2  ARG  14          1HH2      ARG  14   2.381  10.803  10.620
  123   2HH2  ARG  14          2HH2      ARG  14   1.085   9.726  11.022
  124    H    SER  15           H        SER  15   2.106  13.176   2.203
  125    HA   SER  15           HA       SER  15   0.643  11.365   0.441
  126   1HB   SER  15          1HB       SER  15   1.107  13.007  -0.968
  127   2HB   SER  15          2HB       SER  15   2.377  13.675   0.054
  128    HG   SER  15           HG       SER  15   3.831  12.606  -1.057
  129    H    ASP  16           H        ASP  16   3.952  11.828   1.684
  130    HA   ASP  16           HA       ASP  16   4.994   9.464   0.512
  131   1HB   ASP  16          1HB       ASP  16   6.143  11.621   1.640
  132   2HB   ASP  16          2HB       ASP  16   6.265  10.486   2.979
  133    H    HIS  17           H        HIS  17   3.913  10.205   3.830
  134    HA   HIS  17           HA       HIS  17   4.416   7.656   4.909
  135   1HB   HIS  17          1HB       HIS  17   2.627   9.932   5.687
  136   2HB   HIS  17          2HB       HIS  17   2.487   8.390   6.521
  137    HD1  HIS  17           HD1      HIS  17   3.258  10.064   8.558
  138    HD2  HIS  17           HD2      HIS  17   6.134   9.020   5.747
  139    HE1  HIS  17           HE1      HIS  17   5.466  10.574   9.636
  140    HE2  HIS  17           HE2      HIS  17   7.195   9.849   7.956
  141    H    LEU  18           H        LEU  18   1.533   9.013   3.342
  142    HA   LEU  18           HA       LEU  18  -0.204   6.861   3.766
  143   1HB   LEU  18          1HB       LEU  18  -0.866   9.072   2.914
  144   2HB   LEU  18          2HB       LEU  18  -0.066   8.729   1.402
  145    HG   LEU  18           HG       LEU  18  -2.271   6.969   2.404
  146   1HD1  LEU  18          1HD1      LEU  18  -3.395   8.989   2.440
  147   2HD1  LEU  18          2HD1      LEU  18  -3.685   8.415   0.799
  148   3HD1  LEU  18          3HD1      LEU  18  -2.457   9.645   1.101
  149   1HD2  LEU  18          1HD2      LEU  18  -1.616   5.875   0.579
  150   2HD2  LEU  18          2HD2      LEU  18  -0.693   7.251  -0.030
  151   3HD2  LEU  18          3HD2      LEU  18  -2.431   7.161  -0.314
  152    H    THR  19           H        THR  19   2.022   7.555   1.077
  153    HA   THR  19           HA       THR  19   1.396   5.306  -0.448
  154    HB   THR  19           HB       THR  19   4.023   6.802  -0.289
  155    HG1  THR  19           HG1      THR  19   1.765   7.129  -1.976
  156   1HG2  THR  19          1HG2      THR  19   2.979   4.899  -2.364
  157   2HG2  THR  19          2HG2      THR  19   4.483   4.795  -1.449
  158   3HG2  THR  19          3HG2      THR  19   4.276   6.054  -2.666
  159    H    LEU  20           H        LEU  20   3.518   5.730   2.319
  160    HA   LEU  20           HA       LEU  20   5.002   3.359   2.139
  161   1HB   LEU  20          1HB       LEU  20   5.364   5.277   3.743
  162   2HB   LEU  20          2HB       LEU  20   4.034   4.647   4.693
  163    HG   LEU  20           HG       LEU  20   5.795   2.482   4.302
  164   1HD1  LEU  20          1HD1      LEU  20   7.263   4.967   5.177
  165   2HD1  LEU  20          2HD1      LEU  20   7.515   4.101   3.660
  166   3HD1  LEU  20          3HD1      LEU  20   7.893   3.319   5.196
  167   1HD2  LEU  20          1HD2      LEU  20   6.049   2.623   6.724
  168   2HD2  LEU  20          2HD2      LEU  20   4.369   2.873   6.247
  169   3HD2  LEU  20          3HD2      LEU  20   5.369   4.251   6.709
  170    H    HIS  21           H        HIS  21   1.783   4.034   3.411
  171    HA   HIS  21           HA       HIS  21   1.241   1.567   4.614
  172   1HB   HIS  21          1HB       HIS  21  -0.707   2.590   5.065
  173   2HB   HIS  21          2HB       HIS  21  -0.129   3.978   4.184
  174    HD1  HIS  21           HD1      HIS  21  -1.974   4.771   2.705
  175    HD2  HIS  21           HD2      HIS  21  -1.742   0.644   2.790
  176    HE1  HIS  21           HE1      HIS  21  -3.803   3.908   1.197
  177    H    ILE  22           H        ILE  22   0.489   2.768   1.381
  178    HA   ILE  22           HA       ILE  22  -0.854   0.579   0.392
  179    HB   ILE  22           HB       ILE  22   0.927   2.324  -1.302
  180   1HG1  ILE  22          1HG1      ILE  22  -1.951   2.941  -0.851
  181   2HG1  ILE  22          2HG1      ILE  22  -0.834   3.377   0.424
  182   1HG2  ILE  22          1HG2      ILE  22  -0.373   0.200  -2.153
  183   2HG2  ILE  22          2HG2      ILE  22  -0.365   1.687  -3.098
  184   3HG2  ILE  22          3HG2      ILE  22  -1.757   1.293  -2.086
  185   1HD1  ILE  22          1HD1      ILE  22  -0.459   5.241  -0.675
  186   2HD1  ILE  22          2HD1      ILE  22  -1.372   4.672  -2.069
  187   3HD1  ILE  22          3HD1      ILE  22   0.343   4.289  -1.920
  188    H    LEU  23           H        LEU  23   2.507   0.772   1.095
  189    HA   LEU  23           HA       LEU  23   3.582  -1.058  -0.710
  190   1HB   LEU  23          1HB       LEU  23   4.653   0.365   1.236
  191   2HB   LEU  23          2HB       LEU  23   4.437  -1.126   2.124
  192    HG   LEU  23           HG       LEU  23   5.649  -2.008  -0.174
  193   1HD1  LEU  23          1HD1      LEU  23   6.062   0.266  -0.933
  194   2HD1  LEU  23          2HD1      LEU  23   7.575  -0.544  -0.528
  195   3HD1  LEU  23          3HD1      LEU  23   6.883   0.638   0.584
  196   1HD2  LEU  23          1HD2      LEU  23   7.589  -2.356   1.216
  197   2HD2  LEU  23          2HD2      LEU  23   6.132  -2.647   2.166
  198   3HD2  LEU  23          3HD2      LEU  23   7.028  -1.140   2.364
  199    H    LEU  24           H        LEU  24   1.466  -1.535   2.020
  200    HA   LEU  24           HA       LEU  24   1.891  -4.212   2.638
  201   1HB   LEU  24          1HB       LEU  24  -0.816  -2.879   2.526
  202   2HB   LEU  24          2HB       LEU  24  -0.361  -4.259   3.503
  203    HG   LEU  24           HG       LEU  24   1.165  -1.771   3.993
  204   1HD1  LEU  24          1HD1      LEU  24  -1.270  -1.086   3.625
  205   2HD1  LEU  24          2HD1      LEU  24  -0.526  -0.631   5.157
  206   3HD1  LEU  24          3HD1      LEU  24  -1.624  -2.008   5.088
  207   1HD2  LEU  24          1HD2      LEU  24   1.531  -3.833   5.270
  208   2HD2  LEU  24          2HD2      LEU  24  -0.150  -3.791   5.806
  209   3HD2  LEU  24          3HD2      LEU  24   0.964  -2.515   6.297
  210    H    HIS  25           H        HIS  25  -0.275  -2.796   0.204
  211    HA   HIS  25           HA       HIS  25  -1.371  -5.188  -0.762
  212   1HB   HIS  25          1HB       HIS  25  -0.936  -2.665  -2.371
  213   2HB   HIS  25          2HB       HIS  25  -2.155  -3.905  -2.644
  214    HD1  HIS  25           HD1      HIS  25  -3.754  -4.169  -0.257
  215    HD2  HIS  25           HD2      HIS  25  -2.009  -0.518  -1.198
  216    HE1  HIS  25           HE1      HIS  25  -5.050  -2.410   1.017
  217    H    GLU  26           H        GLU  26   1.523  -3.401  -1.775
  218    HA   GLU  26           HA       GLU  26   2.096  -5.121  -3.989
  219   1HB   GLU  26          1HB       GLU  26   3.745  -3.072  -2.506
  220   2HB   GLU  26          2HB       GLU  26   4.373  -3.992  -3.866
  221   1HG   GLU  26          1HG       GLU  26   3.687  -2.094  -4.924
  222   2HG   GLU  26          2HG       GLU  26   2.237  -3.083  -5.075
  223    H    ASN  27           H        ASN  27   3.808  -4.642  -0.891
  224    HA   ASN  27           HA       ASN  27   4.212  -7.498  -0.618
  225   1HB   ASN  27          1HB       ASN  27   6.173  -6.088  -1.936
  226   2HB   ASN  27          2HB       ASN  27   6.752  -6.064  -0.273
  227   1HD2  ASN  27          1HD2      ASN  27   6.450  -7.876  -3.113
  228   2HD2  ASN  27          2HD2      ASN  27   7.038  -9.382  -2.502
  229    H    LYS  28           H        LYS  28   3.454  -7.760   1.387
  230    HA   LYS  28           HA       LYS  28   4.279  -5.838   3.465
  231   1HB   LYS  28          1HB       LYS  28   2.278  -6.432   4.692
  232   2HB   LYS  28          2HB       LYS  28   1.844  -5.946   3.061
  233   1HG   LYS  28          1HG       LYS  28   1.485  -8.219   2.406
  234   2HG   LYS  28          2HG       LYS  28   2.119  -8.809   3.943
  235   1HD   LYS  28          1HD       LYS  28  -0.298  -7.024   3.738
  236   2HD   LYS  28          2HD       LYS  28  -0.399  -8.785   3.720
  237   1HE   LYS  28          1HE       LYS  28   0.868  -7.164   5.925
  238   2HE   LYS  28          2HE       LYS  28  -0.784  -7.778   5.960
  239   1HZ   LYS  28          1HZ       LYS  28   0.246 -10.045   5.630
  240   2HZ   LYS  28          2HZ       LYS  28   0.506  -9.324   7.137
  241   3HZ   LYS  28          3HZ       LYS  28   1.739  -9.329   5.981
  242    H    LYS  29           H        LYS  29   4.807  -6.639   5.559
  243    HA   LYS  29           HA       LYS  29   6.216  -9.173   5.458
  244   1HB   LYS  29          1HB       LYS  29   7.125  -8.522   7.644
  245   2HB   LYS  29          2HB       LYS  29   7.339  -7.251   6.450
  246   1HG   LYS  29          1HG       LYS  29   6.510  -5.879   7.992
  247   2HG   LYS  29          2HG       LYS  29   4.939  -6.589   7.614
  248   1HD   LYS  29          1HD       LYS  29   5.034  -6.830   9.911
  249   2HD   LYS  29          2HD       LYS  29   5.635  -8.394   9.356
  250   1HE   LYS  29          1HE       LYS  29   7.873  -7.810   9.818
  251   2HE   LYS  29          2HE       LYS  29   7.473  -6.102   9.991
  252   1HZ   LYS  29          1HZ       LYS  29   7.853  -7.187  12.130
  253   2HZ   LYS  29          2HZ       LYS  29   6.579  -8.258  11.829
  254   3HZ   LYS  29          3HZ       LYS  29   6.269  -6.604  12.008
  Start of MODEL   37
    1    H    TYR   1           H        TYR   1  -7.908  16.593   2.763
    2    HA   TYR   1           HA       TYR   1  -6.398  14.284   3.739
    3   1HB   TYR   1          1HB       TYR   1  -8.489  13.394   4.671
    4   2HB   TYR   1          2HB       TYR   1  -8.026  14.886   5.479
    5    HD1  TYR   1           HD1      TYR   1 -10.617  13.167   3.715
    6    HD2  TYR   1           HD2      TYR   1  -9.208  17.045   4.757
    7    HE1  TYR   1           HE1      TYR   1 -12.847  14.094   3.261
    8    HE2  TYR   1           HE2      TYR   1 -11.435  17.981   4.303
    9    HH   TYR   1           HH       TYR   1 -13.595  16.836   2.567
   10    H    LYS   2           H        LYS   2  -6.446  15.233   1.117
   11    HA   LYS   2           HA       LYS   2  -8.520  13.766  -0.305
   12   1HB   LYS   2          1HB       LYS   2  -7.330  16.114  -0.861
   13   2HB   LYS   2          2HB       LYS   2  -6.294  15.042  -1.793
   14   1HG   LYS   2          1HG       LYS   2  -7.840  14.749  -3.369
   15   2HG   LYS   2          2HG       LYS   2  -9.122  14.489  -2.185
   16   1HD   LYS   2          1HD       LYS   2  -9.798  16.432  -3.265
   17   2HD   LYS   2          2HD       LYS   2  -8.988  17.046  -1.824
   18   1HE   LYS   2          1HE       LYS   2  -6.886  17.119  -3.335
   19   2HE   LYS   2          2HE       LYS   2  -8.039  17.025  -4.665
   20   1HZ   LYS   2          1HZ       LYS   2  -9.121  19.016  -3.815
   21   2HZ   LYS   2          2HZ       LYS   2  -7.488  19.313  -4.141
   22   3HZ   LYS   2          3HZ       LYS   2  -8.006  19.106  -2.545
   23    H    PHE   3           H        PHE   3  -5.945  12.648   1.199
   24    HA   PHE   3           HA       PHE   3  -4.748  11.114  -0.943
   25   1HB   PHE   3          1HB       PHE   3  -4.151  10.783   1.984
   26   2HB   PHE   3          2HB       PHE   3  -3.112  10.505   0.613
   27    HD1  PHE   3           HD1      PHE   3  -1.824  12.256  -0.374
   28    HD2  PHE   3           HD2      PHE   3  -4.574  13.086   2.766
   29    HE1  PHE   3           HE1      PHE   3  -0.835  14.492  -0.101
   30    HE2  PHE   3           HE2      PHE   3  -3.590  15.323   3.043
   31    HZ   PHE   3           HZ       PHE   3  -1.718  16.029   1.608
   32    H    ALA   4           H        ALA   4  -5.564   9.213  -1.552
   33    HA   ALA   4           HA       ALA   4  -6.709   7.418   0.444
   34   1HB   ALA   4          1HB       ALA   4  -8.225   8.219  -2.037
   35   2HB   ALA   4          2HB       ALA   4  -8.613   8.714  -0.390
   36   3HB   ALA   4          3HB       ALA   4  -8.729   7.015  -0.851
   37    H    CYS   5           H        CYS   5  -6.741   5.228  -0.161
   38    HA   CYS   5           HA       CYS   5  -4.756   4.535  -2.150
   39   1HB   CYS   5          1HB       CYS   5  -4.936   3.459   0.145
   40   2HB   CYS   5          2HB       CYS   5  -6.372   2.638  -0.445
   41    HG   CYS   5           HG       CYS   5  -3.669   2.165  -1.883
   42    HA   PRO   6           HA       PRO   6  -7.709   3.684  -5.360
   43   1HB   PRO   6          1HB       PRO   6  -6.150   2.135  -6.958
   44   2HB   PRO   6          2HB       PRO   6  -5.973   3.891  -6.846
   45   1HG   PRO   6          1HG       PRO   6  -4.388   1.737  -5.499
   46   2HG   PRO   6          2HG       PRO   6  -3.819   3.227  -6.277
   47   1HD   PRO   6          1HD       PRO   6  -4.074   2.996  -3.595
   48   2HD   PRO   6          2HD       PRO   6  -4.337   4.531  -4.448
   49    H    GLU   7           H        GLU   7  -6.248   1.233  -3.394
   50    HA   GLU   7           HA       GLU   7  -8.074  -0.810  -4.444
   51   1HB   GLU   7          1HB       GLU   7  -5.581  -1.265  -4.276
   52   2HB   GLU   7          2HB       GLU   7  -5.784  -1.244  -2.530
   53   1HG   GLU   7          1HG       GLU   7  -7.733  -2.982  -3.703
   54   2HG   GLU   7          2HG       GLU   7  -6.124  -3.403  -4.289
   55    H    CYS   8           H        CYS   8  -6.959   0.629  -1.372
   56    HA   CYS   8           HA       CYS   8  -9.421  -0.393  -0.110
   57   1HB   CYS   8          1HB       CYS   8  -8.238  -0.444   2.002
   58   2HB   CYS   8          2HB       CYS   8  -7.336  -1.353   0.802
   59    HG   CYS   8           HG       CYS   8  -5.542   0.033   1.867
   60    HA   PRO   9           HA       PRO   9 -10.417   3.776   0.986
   61   1HB   PRO   9          1HB       PRO   9 -12.101   3.392   3.005
   62   2HB   PRO   9          2HB       PRO   9 -12.431   2.701   1.412
   63   1HG   PRO   9          1HG       PRO   9 -11.436   1.370   3.885
   64   2HG   PRO   9          2HG       PRO   9 -12.510   0.741   2.624
   65   1HD   PRO   9          1HD       PRO   9  -9.722   0.297   2.856
   66   2HD   PRO   9          2HD       PRO   9 -10.753  -0.121   1.476
   67    H    LYS  10           H        LYS  10  -7.812   3.490   1.983
   68    HA   LYS  10           HA       LYS  10  -7.934   4.316   4.783
   69   1HB   LYS  10          1HB       LYS  10  -5.424   3.948   3.156
   70   2HB   LYS  10          2HB       LYS  10  -5.586   3.986   4.885
   71   1HG   LYS  10          1HG       LYS  10  -7.135   1.866   3.606
   72   2HG   LYS  10          2HG       LYS  10  -5.387   1.732   3.406
   73   1HD   LYS  10          1HD       LYS  10  -5.807   0.564   5.380
   74   2HD   LYS  10          2HD       LYS  10  -5.270   2.148   5.940
   75   1HE   LYS  10          1HE       LYS  10  -7.860   2.663   5.855
   76   2HE   LYS  10          2HE       LYS  10  -7.978   0.912   6.022
   77   1HZ   LYS  10          1HZ       LYS  10  -6.661   1.037   8.032
   78   2HZ   LYS  10          2HZ       LYS  10  -8.015   2.040   8.167
   79   3HZ   LYS  10          3HZ       LYS  10  -6.494   2.714   7.861
   80    H    ARG  11           H        ARG  11  -7.106   6.261   5.523
   81    HA   ARG  11           HA       ARG  11  -6.517   8.327   3.519
   82   1HB   ARG  11          1HB       ARG  11  -8.300   8.714   5.922
   83   2HB   ARG  11          2HB       ARG  11  -7.868   9.936   4.745
   84   1HG   ARG  11          1HG       ARG  11  -9.920   9.372   3.956
   85   2HG   ARG  11          2HG       ARG  11  -8.941   8.207   3.065
   86   1HD   ARG  11          1HD       ARG  11  -9.592   6.437   4.411
   87   2HD   ARG  11          2HD       ARG  11 -10.045   7.489   5.749
   88    HE   ARG  11           HE       ARG  11 -12.134   7.685   4.844
   89   1HH1  ARG  11          1HH1      ARG  11  -9.988   6.414   2.383
   90   2HH1  ARG  11          2HH1      ARG  11 -11.268   6.088   1.265
   91   1HH2  ARG  11          1HH2      ARG  11 -13.811   7.255   3.366
   92   2HH2  ARG  11          2HH2      ARG  11 -13.439   6.565   1.822
   93    H    PHE  12           H        PHE  12  -4.887   9.699   4.046
   94    HA   PHE  12           HA       PHE  12  -3.820   9.608   6.782
   95   1HB   PHE  12          1HB       PHE  12  -2.151   9.354   4.302
   96   2HB   PHE  12          2HB       PHE  12  -1.542   9.373   5.940
   97    HD1  PHE  12           HD1      PHE  12  -4.136   7.510   4.019
   98    HD2  PHE  12           HD2      PHE  12  -0.874   7.307   6.736
   99    HE1  PHE  12           HE1      PHE  12  -4.353   5.082   4.077
  100    HE2  PHE  12           HE2      PHE  12  -1.091   4.852   6.800
  101    HZ   PHE  12           HZ       PHE  12  -2.842   3.740   5.454
  102    H    MET  13           H        MET  13  -2.595  11.431   7.428
  103    HA   MET  13           HA       MET  13  -3.478  13.891   6.295
  104   1HB   MET  13          1HB       MET  13  -1.466  13.226   8.440
  105   2HB   MET  13          2HB       MET  13  -1.796  14.879   7.943
  106   1HG   MET  13          1HG       MET  13  -4.246  14.341   8.454
  107   2HG   MET  13          2HG       MET  13  -3.616  12.933   9.307
  108   1HE   MET  13          1HE       MET  13  -3.625  17.266  10.629
  109   2HE   MET  13          2HE       MET  13  -4.446  16.513   9.262
  110   3HE   MET  13          3HE       MET  13  -2.739  16.938   9.141
  111    H    ARG  14           H        ARG  14  -0.496  12.021   6.098
  112    HA   ARG  14           HA       ARG  14   0.723  14.074   4.397
  113   1HB   ARG  14          1HB       ARG  14   1.831  11.660   5.818
  114   2HB   ARG  14          2HB       ARG  14   2.754  12.527   4.602
  115   1HG   ARG  14          1HG       ARG  14   3.503  13.757   6.300
  116   2HG   ARG  14          2HG       ARG  14   1.926  14.548   6.249
  117   1HD   ARG  14          1HD       ARG  14   1.667  13.899   8.367
  118   2HD   ARG  14          2HD       ARG  14   1.466  12.262   7.736
  119    HE   ARG  14           HE       ARG  14   3.618  11.747   8.421
  120   1HH1  ARG  14          1HH1      ARG  14   2.987  15.154   8.933
  121   2HH1  ARG  14          2HH1      ARG  14   4.375  15.383   9.941
  122   1HH2  ARG  14          1HH2      ARG  14   5.445  12.057   9.746
  123   2HH2  ARG  14          2HH2      ARG  14   5.771  13.627  10.401
  124    H    SER  15           H        SER  15   1.840  13.379   2.432
  125    HA   SER  15           HA       SER  15   0.190  11.530   0.915
  126   1HB   SER  15          1HB       SER  15   0.521  13.046  -0.651
  127   2HB   SER  15          2HB       SER  15   1.745  13.870   0.310
  128    HG   SER  15           HG       SER  15   3.257  12.944  -0.841
  129    H    ASP  16           H        ASP  16   3.625  11.952   1.740
  130    HA   ASP  16           HA       ASP  16   4.549   9.627   0.434
  131   1HB   ASP  16          1HB       ASP  16   5.736  11.742   1.751
  132   2HB   ASP  16          2HB       ASP  16   6.076  10.379   2.811
  133    H    HIS  17           H        HIS  17   3.564  10.227   3.794
  134    HA   HIS  17           HA       HIS  17   4.184   7.695   4.828
  135   1HB   HIS  17          1HB       HIS  17   2.495   9.974   5.657
  136   2HB   HIS  17          2HB       HIS  17   2.051   8.415   6.335
  137    HD1  HIS  17           HD1      HIS  17   2.783   9.240   8.679
  138    HD2  HIS  17           HD2      HIS  17   5.836   9.142   5.865
  139    HE1  HIS  17           HE1      HIS  17   4.906   9.506   9.983
  140    HE2  HIS  17           HE2      HIS  17   6.750   9.316   8.279
  141    H    LEU  18           H        LEU  18   1.146   8.932   3.426
  142    HA   LEU  18           HA       LEU  18  -0.407   6.636   3.781
  143   1HB   LEU  18          1HB       LEU  18  -1.202   8.886   3.019
  144   2HB   LEU  18          2HB       LEU  18  -0.548   8.532   1.443
  145    HG   LEU  18           HG       LEU  18  -2.509   6.628   2.634
  146   1HD1  LEU  18          1HD1      LEU  18  -3.639   8.773   0.979
  147   2HD1  LEU  18          2HD1      LEU  18  -3.182   9.234   2.619
  148   3HD1  LEU  18          3HD1      LEU  18  -4.328   7.917   2.357
  149   1HD2  LEU  18          1HD2      LEU  18  -2.186   5.721   0.646
  150   2HD2  LEU  18          2HD2      LEU  18  -1.272   7.122   0.083
  151   3HD2  LEU  18          3HD2      LEU  18  -3.031   7.109  -0.044
  152    H    THR  19           H        THR  19   1.706   7.602   1.101
  153    HA   THR  19           HA       THR  19   1.182   5.411  -0.550
  154    HB   THR  19           HB       THR  19   3.748   7.006  -0.351
  155    HG1  THR  19           HG1      THR  19   2.450   8.538  -0.974
  156   1HG2  THR  19          1HG2      THR  19   2.644   5.293  -2.555
  157   2HG2  THR  19          2HG2      THR  19   4.191   5.132  -1.723
  158   3HG2  THR  19          3HG2      THR  19   3.905   6.501  -2.797
  159    H    LEU  20           H        LEU  20   3.376   5.833   2.171
  160    HA   LEU  20           HA       LEU  20   4.949   3.524   1.821
  161   1HB   LEU  20          1HB       LEU  20   5.320   5.450   3.445
  162   2HB   LEU  20          2HB       LEU  20   4.127   4.688   4.479
  163    HG   LEU  20           HG       LEU  20   6.346   2.944   3.609
  164   1HD1  LEU  20          1HD1      LEU  20   6.844   5.059   5.691
  165   2HD1  LEU  20          2HD1      LEU  20   7.430   5.169   4.032
  166   3HD1  LEU  20          3HD1      LEU  20   7.976   3.857   5.075
  167   1HD2  LEU  20          1HD2      LEU  20   4.873   3.471   6.181
  168   2HD2  LEU  20          2HD2      LEU  20   6.222   2.343   6.042
  169   3HD2  LEU  20          3HD2      LEU  20   4.742   2.063   5.125
  170    H    HIS  21           H        HIS  21   1.790   4.065   3.254
  171    HA   HIS  21           HA       HIS  21   1.409   1.576   4.489
  172   1HB   HIS  21          1HB       HIS  21  -0.514   2.568   5.090
  173   2HB   HIS  21          2HB       HIS  21  -0.037   3.960   4.160
  174    HD1  HIS  21           HD1      HIS  21  -2.079   4.706   2.922
  175    HD2  HIS  21           HD2      HIS  21  -1.637   0.593   2.839
  176    HE1  HIS  21           HE1      HIS  21  -3.993   3.794   1.550
  177    H    ILE  22           H        ILE  22   0.436   2.777   1.325
  178    HA   ILE  22           HA       ILE  22  -0.941   0.570   0.423
  179    HB   ILE  22           HB       ILE  22   0.662   2.346  -1.409
  180   1HG1  ILE  22          1HG1      ILE  22  -2.160   2.972  -0.713
  181   2HG1  ILE  22          2HG1      ILE  22  -0.955   3.378   0.486
  182   1HG2  ILE  22          1HG2      ILE  22  -2.039   1.078  -1.802
  183   2HG2  ILE  22          2HG2      ILE  22  -0.532   0.315  -2.316
  184   3HG2  ILE  22          3HG2      ILE  22  -1.024   1.856  -3.017
  185   1HD1  ILE  22          1HD1      ILE  22  -0.731   5.279  -0.604
  186   2HD1  ILE  22          2HD1      ILE  22  -1.626   4.676  -1.998
  187   3HD1  ILE  22          3HD1      ILE  22   0.102   4.355  -1.854
  188    H    LEU  23           H        LEU  23   2.440   0.741   0.938
  189    HA   LEU  23           HA       LEU  23   3.362  -1.053  -1.023
  190   1HB   LEU  23          1HB       LEU  23   4.333  -0.124   1.625
  191   2HB   LEU  23          2HB       LEU  23   5.023  -1.612   1.008
  192    HG   LEU  23           HG       LEU  23   5.084   0.294  -1.101
  193   1HD1  LEU  23          1HD1      LEU  23   6.078   1.337   1.540
  194   2HD1  LEU  23          2HD1      LEU  23   4.919   2.089   0.445
  195   3HD1  LEU  23          3HD1      LEU  23   6.615   1.958  -0.020
  196   1HD2  LEU  23          1HD2      LEU  23   7.274  -0.853   0.629
  197   2HD2  LEU  23          2HD2      LEU  23   7.497  -0.073  -0.937
  198   3HD2  LEU  23          3HD2      LEU  23   6.606  -1.590  -0.828
  199    H    LEU  24           H        LEU  24   1.481  -1.537   1.864
  200    HA   LEU  24           HA       LEU  24   2.000  -4.195   2.502
  201   1HB   LEU  24          1HB       LEU  24  -0.723  -2.886   2.527
  202   2HB   LEU  24          2HB       LEU  24  -0.223  -4.275   3.470
  203    HG   LEU  24           HG       LEU  24   1.324  -1.783   3.896
  204   1HD1  LEU  24          1HD1      LEU  24  -0.305  -0.673   5.173
  205   2HD1  LEU  24          2HD1      LEU  24  -1.393  -2.060   5.153
  206   3HD1  LEU  24          3HD1      LEU  24  -1.135  -1.121   3.682
  207   1HD2  LEU  24          1HD2      LEU  24   0.139  -3.845   5.752
  208   2HD2  LEU  24          2HD2      LEU  24   1.252  -2.555   6.205
  209   3HD2  LEU  24          3HD2      LEU  24   1.789  -3.847   5.131
  210    H    HIS  25           H        HIS  25  -0.352  -2.879   0.181
  211    HA   HIS  25           HA       HIS  25  -1.423  -5.319  -0.691
  212   1HB   HIS  25          1HB       HIS  25  -1.139  -2.861  -2.422
  213   2HB   HIS  25          2HB       HIS  25  -2.378  -4.108  -2.512
  214    HD1  HIS  25           HD1      HIS  25  -4.023  -4.160  -0.282
  215    HD2  HIS  25           HD2      HIS  25  -1.839  -0.701  -0.998
  216    HE1  HIS  25           HE1      HIS  25  -5.129  -2.327   1.068
  217    H    GLU  26           H        GLU  26   1.485  -3.593  -1.649
  218    HA   GLU  26           HA       GLU  26   1.990  -5.435  -3.848
  219   1HB   GLU  26          1HB       GLU  26   3.525  -3.045  -2.814
  220   2HB   GLU  26          2HB       GLU  26   4.054  -4.036  -4.167
  221   1HG   GLU  26          1HG       GLU  26   1.449  -2.532  -4.064
  222   2HG   GLU  26          2HG       GLU  26   2.920  -1.946  -4.839
  223    H    ASN  27           H        ASN  27   1.877  -6.928  -1.652
  224    HA   ASN  27           HA       ASN  27   4.668  -7.707  -1.223
  225   1HB   ASN  27          1HB       ASN  27   3.475  -6.341   0.728
  226   2HB   ASN  27          2HB       ASN  27   2.813  -7.928   1.106
  227   1HD2  ASN  27          1HD2      ASN  27   5.400  -5.850   1.524
  228   2HD2  ASN  27          2HD2      ASN  27   6.535  -6.978   2.177
  229    H    LYS  28           H        LYS  28   3.310  -8.992  -3.059
  230    HA   LYS  28           HA       LYS  28   1.922 -11.278  -1.895
  231   1HB   LYS  28          1HB       LYS  28   2.307 -10.264  -4.697
  232   2HB   LYS  28          2HB       LYS  28   1.749 -11.906  -4.410
  233   1HG   LYS  28          1HG       LYS  28  -0.039 -10.772  -2.915
  234   2HG   LYS  28          2HG       LYS  28   0.384  -9.316  -3.817
  235   1HD   LYS  28          1HD       LYS  28  -0.187 -11.820  -5.330
  236   2HD   LYS  28          2HD       LYS  28  -1.539 -10.924  -4.635
  237   1HE   LYS  28          1HE       LYS  28  -0.530  -8.869  -5.770
  238   2HE   LYS  28          2HE       LYS  28   0.463 -10.008  -6.679
  239   1HZ   LYS  28          1HZ       LYS  28  -2.508  -9.941  -6.631
  240   2HZ   LYS  28          2HZ       LYS  28  -1.570 -11.063  -7.481
  241   3HZ   LYS  28          3HZ       LYS  28  -1.521  -9.428  -7.907
  242    H    LYS  29           H        LYS  29   2.466 -13.472  -2.885
  243    HA   LYS  29           HA       LYS  29   5.145 -14.120  -2.219
  244   1HB   LYS  29          1HB       LYS  29   2.756 -15.526  -2.557
  245   2HB   LYS  29          2HB       LYS  29   3.820 -16.164  -3.801
  246   1HG   LYS  29          1HG       LYS  29   4.654 -15.937  -0.925
  247   2HG   LYS  29          2HG       LYS  29   3.827 -17.356  -1.573
  248   1HD   LYS  29          1HD       LYS  29   5.712 -17.273  -3.381
  249   2HD   LYS  29          2HD       LYS  29   6.566 -16.315  -2.169
  250   1HE   LYS  29          1HE       LYS  29   5.351 -18.999  -1.562
  251   2HE   LYS  29          2HE       LYS  29   6.999 -18.816  -2.157
  252   1HZ   LYS  29          1HZ       LYS  29   7.021 -18.952   0.221
  253   2HZ   LYS  29          2HZ       LYS  29   5.892 -17.701   0.363
  254   3HZ   LYS  29          3HZ       LYS  29   7.445 -17.376  -0.223
  Start of MODEL   38
    1    H    TYR   1           H        TYR   1  -9.677  14.242   5.952
    2    HA   TYR   1           HA       TYR   1  -8.062  13.174   4.718
    3   1HB   TYR   1          1HB       TYR   1 -10.658  12.901   3.184
    4   2HB   TYR   1          2HB       TYR   1  -9.400  11.683   3.356
    5    HD1  TYR   1           HD1      TYR   1 -12.571  12.249   4.289
    6    HD2  TYR   1           HD2      TYR   1  -8.805  11.527   6.132
    7    HE1  TYR   1           HE1      TYR   1 -13.718  11.360   6.273
    8    HE2  TYR   1           HE2      TYR   1  -9.942  10.635   8.121
    9    HH   TYR   1           HH       TYR   1 -12.681  11.155   9.062
   10    H    LYS   2           H        LYS   2  -6.492  13.581   3.317
   11    HA   LYS   2           HA       LYS   2  -6.992  15.397   1.084
   12   1HB   LYS   2          1HB       LYS   2  -4.580  14.535   2.604
   13   2HB   LYS   2          2HB       LYS   2  -4.359  15.036   0.933
   14   1HG   LYS   2          1HG       LYS   2  -5.702  17.129   1.625
   15   2HG   LYS   2          2HG       LYS   2  -5.311  16.636   3.273
   16   1HD   LYS   2          1HD       LYS   2  -3.446  17.851   2.955
   17   2HD   LYS   2          2HD       LYS   2  -2.881  16.434   2.068
   18   1HE   LYS   2          1HE       LYS   2  -4.449  18.583   0.688
   19   2HE   LYS   2          2HE       LYS   2  -2.716  18.767   0.956
   20   1HZ   LYS   2          1HZ       LYS   2  -3.034  17.826  -1.185
   21   2HZ   LYS   2          2HZ       LYS   2  -4.075  16.633  -0.594
   22   3HZ   LYS   2          3HZ       LYS   2  -2.433  16.593  -0.194
   23    H    PHE   3           H        PHE   3  -5.352  12.260   1.623
   24    HA   PHE   3           HA       PHE   3  -5.696  11.678  -1.236
   25   1HB   PHE   3          1HB       PHE   3  -3.640  11.019   0.770
   26   2HB   PHE   3          2HB       PHE   3  -4.081   9.704  -0.301
   27    HD1  PHE   3           HD1      PHE   3  -3.612   9.814  -2.674
   28    HD2  PHE   3           HD2      PHE   3  -2.534  12.998  -0.063
   29    HE1  PHE   3           HE1      PHE   3  -2.140  10.739  -4.415
   30    HE2  PHE   3           HE2      PHE   3  -1.062  13.930  -1.801
   31    HZ   PHE   3           HZ       PHE   3  -0.863  12.800  -3.980
   32    H    ALA   4           H        ALA   4  -5.932   9.278  -1.710
   33    HA   ALA   4           HA       ALA   4  -7.433   7.736   0.231
   34   1HB   ALA   4          1HB       ALA   4  -8.739   8.486  -2.384
   35   2HB   ALA   4          2HB       ALA   4  -9.138   9.207  -0.825
   36   3HB   ALA   4          3HB       ALA   4  -9.423   7.489  -1.099
   37    H    CYS   5           H        CYS   5  -6.803   5.671   0.037
   38    HA   CYS   5           HA       CYS   5  -5.051   4.824  -2.004
   39   1HB   CYS   5          1HB       CYS   5  -5.299   3.885   0.375
   40   2HB   CYS   5          2HB       CYS   5  -6.622   2.930  -0.274
   41    HG   CYS   5           HG       CYS   5  -3.800   2.630  -1.519
   42    HA   PRO   6           HA       PRO   6  -7.991   3.633  -5.119
   43   1HB   PRO   6          1HB       PRO   6  -6.294   2.412  -6.813
   44   2HB   PRO   6          2HB       PRO   6  -6.290   4.164  -6.590
   45   1HG   PRO   6          1HG       PRO   6  -4.467   2.103  -5.413
   46   2HG   PRO   6          2HG       PRO   6  -4.067   3.689  -6.097
   47   1HD   PRO   6          1HD       PRO   6  -4.289   3.212  -3.417
   48   2HD   PRO   6          2HD       PRO   6  -4.597   4.795  -4.161
   49    H    GLU   7           H        GLU   7  -6.037   1.400  -3.298
   50    HA   GLU   7           HA       GLU   7  -7.505  -0.910  -4.330
   51   1HB   GLU   7          1HB       GLU   7  -4.860  -0.605  -3.692
   52   2HB   GLU   7          2HB       GLU   7  -5.491  -1.372  -2.241
   53   1HG   GLU   7          1HG       GLU   7  -6.531  -2.719  -4.530
   54   2HG   GLU   7          2HG       GLU   7  -4.783  -2.570  -4.691
   55    H    CYS   8           H        CYS   8  -6.844   0.779  -1.258
   56    HA   CYS   8           HA       CYS   8  -9.139  -0.668  -0.094
   57   1HB   CYS   8          1HB       CYS   8  -8.062  -0.716   2.031
   58   2HB   CYS   8          2HB       CYS   8  -6.905  -1.311   0.855
   59    HG   CYS   8           HG       CYS   8  -6.545   1.644   1.491
   60    HA   PRO   9           HA       PRO   9 -10.742   3.279   1.069
   61   1HB   PRO   9          1HB       PRO   9 -12.228   2.689   3.206
   62   2HB   PRO   9          2HB       PRO   9 -12.560   1.958   1.632
   63   1HG   PRO   9          1HG       PRO   9 -11.251   0.778   4.032
   64   2HG   PRO   9          2HG       PRO   9 -12.295   0.007   2.826
   65   1HD   PRO   9          1HD       PRO   9  -9.474  -0.061   2.908
   66   2HD   PRO   9          2HD       PRO   9 -10.501  -0.600   1.571
   67    H    LYS  10           H        LYS  10  -8.033   3.212   1.982
   68    HA   LYS  10           HA       LYS  10  -8.143   4.214   4.722
   69   1HB   LYS  10          1HB       LYS  10  -5.759   3.666   2.940
   70   2HB   LYS  10          2HB       LYS  10  -5.667   4.251   4.575
   71   1HG   LYS  10          1HG       LYS  10  -7.196   1.762   4.153
   72   2HG   LYS  10          2HG       LYS  10  -5.443   1.682   3.962
   73   1HD   LYS  10          1HD       LYS  10  -5.737   3.139   6.275
   74   2HD   LYS  10          2HD       LYS  10  -7.058   1.972   6.378
   75   1HE   LYS  10          1HE       LYS  10  -5.662   0.237   6.688
   76   2HE   LYS  10          2HE       LYS  10  -4.499   0.835   5.507
   77   1HZ   LYS  10          1HZ       LYS  10  -3.655   2.377   7.152
   78   2HZ   LYS  10          2HZ       LYS  10  -3.582   0.796   7.749
   79   3HZ   LYS  10          3HZ       LYS  10  -4.795   1.846   8.285
   80    H    ARG  11           H        ARG  11  -7.045   6.215   5.265
   81    HA   ARG  11           HA       ARG  11  -6.781   8.189   3.131
   82   1HB   ARG  11          1HB       ARG  11  -8.172   9.807   4.569
   83   2HB   ARG  11          2HB       ARG  11  -9.036   8.612   3.613
   84   1HG   ARG  11          1HG       ARG  11  -8.720   7.280   5.961
   85   2HG   ARG  11          2HG       ARG  11  -8.871   8.946   6.519
   86   1HD   ARG  11          1HD       ARG  11 -11.062   8.057   6.469
   87   2HD   ARG  11          2HD       ARG  11 -10.926   9.126   5.075
   88    HE   ARG  11           HE       ARG  11 -10.271   6.509   4.288
   89   1HH1  ARG  11          1HH1      ARG  11 -13.049   8.380   5.308
   90   2HH1  ARG  11          2HH1      ARG  11 -14.179   7.414   4.421
   91   1HH2  ARG  11          1HH2      ARG  11 -11.765   5.242   3.119
   92   2HH2  ARG  11          2HH2      ARG  11 -13.450   5.632   3.179
   93    H    PHE  12           H        PHE  12  -5.110   9.534   3.491
   94    HA   PHE  12           HA       PHE  12  -4.115   9.819   6.245
   95   1HB   PHE  12          1HB       PHE  12  -2.331   9.394   3.876
   96   2HB   PHE  12          2HB       PHE  12  -1.844   9.464   5.555
   97    HD1  PHE  12           HD1      PHE  12  -4.261   7.536   3.465
   98    HD2  PHE  12           HD2      PHE  12  -1.285   7.441   6.502
   99    HE1  PHE  12           HE1      PHE  12  -4.474   5.107   3.582
  100    HE2  PHE  12           HE2      PHE  12  -1.502   4.990   6.630
  101    HZ   PHE  12           HZ       PHE  12  -3.100   3.821   5.153
  102    H    MET  13           H        MET  13  -2.940  11.707   6.703
  103    HA   MET  13           HA       MET  13  -3.743  13.992   5.136
  104   1HB   MET  13          1HB       MET  13  -2.144  13.709   7.680
  105   2HB   MET  13          2HB       MET  13  -2.467  15.261   6.919
  106   1HG   MET  13          1HG       MET  13  -4.725  15.178   7.399
  107   2HG   MET  13          2HG       MET  13  -4.723  13.427   7.593
  108   1HE   MET  13          1HE       MET  13  -2.476  12.849  10.314
  109   2HE   MET  13          2HE       MET  13  -3.698  12.195   9.224
  110   3HE   MET  13          3HE       MET  13  -4.116  12.566  10.897
  111    H    ARG  14           H        ARG  14  -0.869  12.055   5.534
  112    HA   ARG  14           HA       ARG  14   0.751  13.996   4.046
  113   1HB   ARG  14          1HB       ARG  14   1.488  11.475   5.532
  114   2HB   ARG  14          2HB       ARG  14   2.635  12.405   4.584
  115   1HG   ARG  14          1HG       ARG  14   1.164  13.300   7.053
  116   2HG   ARG  14          2HG       ARG  14   2.887  12.952   6.902
  117   1HD   ARG  14          1HD       ARG  14   2.945  15.225   6.716
  118   2HD   ARG  14          2HD       ARG  14   2.726  14.800   5.015
  119    HE   ARG  14           HE       ARG  14   0.198  15.068   6.112
  120   1HH1  ARG  14          1HH1      ARG  14   2.982  17.111   5.545
  121   2HH1  ARG  14          2HH1      ARG  14   2.043  18.555   5.374
  122   1HH2  ARG  14          1HH2      ARG  14  -1.037  16.972   5.884
  123   2HH2  ARG  14          2HH2      ARG  14  -0.240  18.477   5.567
  124    H    SER  15           H        SER  15   2.018  13.279   2.225
  125    HA   SER  15           HA       SER  15   0.534  11.412   0.558
  126   1HB   SER  15          1HB       SER  15   0.932  13.105  -0.829
  127   2HB   SER  15          2HB       SER  15   2.320  13.690   0.083
  128    HG   SER  15           HG       SER  15   2.199  11.918  -2.050
  129    H    ASP  16           H        ASP  16   3.853  11.879   1.753
  130    HA   ASP  16           HA       ASP  16   4.867   9.508   0.542
  131   1HB   ASP  16          1HB       ASP  16   6.894   9.923   1.778
  132   2HB   ASP  16          2HB       ASP  16   6.287  11.456   1.172
  133    H    HIS  17           H        HIS  17   3.607  10.271   3.762
  134    HA   HIS  17           HA       HIS  17   4.266   7.790   4.963
  135   1HB   HIS  17          1HB       HIS  17   2.127   9.816   5.635
  136   2HB   HIS  17          2HB       HIS  17   2.491   8.409   6.623
  137    HD1  HIS  17           HD1      HIS  17   2.878  10.643   8.289
  138    HD2  HIS  17           HD2      HIS  17   5.798   9.715   5.481
  139    HE1  HIS  17           HE1      HIS  17   4.964  11.800   9.081
  140    HE2  HIS  17           HE2      HIS  17   6.742  11.140   7.423
  141    H    LEU  18           H        LEU  18   1.359   8.981   3.315
  142    HA   LEU  18           HA       LEU  18  -0.296   6.767   3.729
  143   1HB   LEU  18          1HB       LEU  18  -0.945   8.989   2.786
  144   2HB   LEU  18          2HB       LEU  18  -0.199   8.520   1.280
  145    HG   LEU  18           HG       LEU  18  -2.344   6.810   2.458
  146   1HD1  LEU  18          1HD1      LEU  18  -3.483   8.828   2.526
  147   2HD1  LEU  18          2HD1      LEU  18  -3.889   8.193   0.933
  148   3HD1  LEU  18          3HD1      LEU  18  -2.659   9.448   1.099
  149   1HD2  LEU  18          1HD2      LEU  18  -1.795   5.688   0.618
  150   2HD2  LEU  18          2HD2      LEU  18  -0.913   7.058  -0.063
  151   3HD2  LEU  18          3HD2      LEU  18  -2.664   6.956  -0.253
  152    H    THR  19           H        THR  19   1.961   7.501   1.081
  153    HA   THR  19           HA       THR  19   1.462   5.208  -0.425
  154    HB   THR  19           HB       THR  19   4.048   6.773  -0.231
  155    HG1  THR  19           HG1      THR  19   1.765   7.117  -1.876
  156   1HG2  THR  19          1HG2      THR  19   4.523   4.791  -1.431
  157   2HG2  THR  19          2HG2      THR  19   4.313   6.077  -2.619
  158   3HG2  THR  19          3HG2      THR  19   3.022   4.906  -2.348
  159    H    LEU  20           H        LEU  20   3.497   5.749   2.390
  160    HA   LEU  20           HA       LEU  20   5.093   3.447   2.283
  161   1HB   LEU  20          1HB       LEU  20   5.375   5.332   3.888
  162   2HB   LEU  20          2HB       LEU  20   3.943   4.790   4.739
  163    HG   LEU  20           HG       LEU  20   6.155   4.168   5.776
  164   1HD1  LEU  20          1HD1      LEU  20   3.792   2.920   5.874
  165   2HD1  LEU  20          2HD1      LEU  20   5.214   2.371   6.762
  166   3HD1  LEU  20          3HD1      LEU  20   4.785   1.612   5.230
  167   1HD2  LEU  20          1HD2      LEU  20   7.585   2.653   4.829
  168   2HD2  LEU  20          2HD2      LEU  20   7.019   3.496   3.387
  169   3HD2  LEU  20          3HD2      LEU  20   6.331   1.931   3.821
  170    H    HIS  21           H        HIS  21   1.844   3.997   3.544
  171    HA   HIS  21           HA       HIS  21   1.346   1.503   4.685
  172   1HB   HIS  21          1HB       HIS  21  -0.606   2.513   5.151
  173   2HB   HIS  21          2HB       HIS  21  -0.086   3.892   4.222
  174    HD1  HIS  21           HD1      HIS  21  -2.046   4.586   2.830
  175    HD2  HIS  21           HD2      HIS  21  -1.560   0.480   2.877
  176    HE1  HIS  21           HE1      HIS  21  -3.884   3.620   1.387
  177    H    ILE  22           H        ILE  22   0.554   2.687   1.459
  178    HA   ILE  22           HA       ILE  22  -0.719   0.449   0.489
  179    HB   ILE  22           HB       ILE  22   0.958   2.240  -1.259
  180   1HG1  ILE  22          1HG1      ILE  22  -1.907   2.824  -0.734
  181   2HG1  ILE  22          2HG1      ILE  22  -0.782   3.257   0.530
  182   1HG2  ILE  22          1HG2      ILE  22  -0.475   0.065  -1.957
  183   2HG2  ILE  22          2HG2      ILE  22  -0.266   1.467  -3.004
  184   3HG2  ILE  22          3HG2      ILE  22  -1.731   1.300  -2.032
  185   1HD1  ILE  22          1HD1      ILE  22  -1.378   4.594  -1.913
  186   2HD1  ILE  22          2HD1      ILE  22   0.338   4.194  -1.846
  187   3HD1  ILE  22          3HD1      ILE  22  -0.402   5.129  -0.548
  188    H    LEU  23           H        LEU  23   2.597   0.615   1.264
  189    HA   LEU  23           HA       LEU  23   3.734  -1.076  -0.648
  190   1HB   LEU  23          1HB       LEU  23   4.367  -0.294   2.129
  191   2HB   LEU  23          2HB       LEU  23   5.057  -1.816   1.602
  192    HG   LEU  23           HG       LEU  23   5.399   0.538  -0.186
  193   1HD1  LEU  23          1HD1      LEU  23   7.486   1.108   1.118
  194   2HD1  LEU  23          2HD1      LEU  23   6.798   0.177   2.450
  195   3HD1  LEU  23          3HD1      LEU  23   5.956   1.603   1.843
  196   1HD2  LEU  23          1HD2      LEU  23   6.200  -1.726  -0.777
  197   2HD2  LEU  23          2HD2      LEU  23   7.255  -1.691   0.636
  198   3HD2  LEU  23          3HD2      LEU  23   7.500  -0.538  -0.676
  199    H    LEU  24           H        LEU  24   1.674  -1.766   2.134
  200    HA   LEU  24           HA       LEU  24   2.080  -4.532   2.340
  201   1HB   LEU  24          1HB       LEU  24  -0.313  -4.582   3.209
  202   2HB   LEU  24          2HB       LEU  24   0.841  -3.591   4.076
  203    HG   LEU  24           HG       LEU  24  -0.243  -1.779   2.333
  204   1HD1  LEU  24          1HD1      LEU  24  -2.547  -3.450   3.292
  205   2HD1  LEU  24          2HD1      LEU  24  -1.907  -3.526   1.650
  206   3HD1  LEU  24          3HD1      LEU  24  -2.594  -2.018   2.260
  207   1HD2  LEU  24          1HD2      LEU  24  -1.398  -2.386   5.039
  208   2HD2  LEU  24          2HD2      LEU  24  -1.234  -0.819   4.248
  209   3HD2  LEU  24          3HD2      LEU  24   0.200  -1.673   4.819
  210    H    HIS  25           H        HIS  25  -0.040  -2.690   0.191
  211    HA   HIS  25           HA       HIS  25  -1.484  -4.848  -0.884
  212   1HB   HIS  25          1HB       HIS  25  -0.792  -2.154  -2.067
  213   2HB   HIS  25          2HB       HIS  25  -1.916  -3.290  -2.807
  214    HD1  HIS  25           HD1      HIS  25  -3.707  -4.127  -0.568
  215    HD2  HIS  25           HD2      HIS  25  -2.271  -0.248  -0.929
  216    HE1  HIS  25           HE1      HIS  25  -5.297  -2.658   0.737
  217    H    GLU  26           H        GLU  26   1.628  -3.437  -1.789
  218    HA   GLU  26           HA       GLU  26   2.039  -4.626  -4.256
  219   1HB   GLU  26          1HB       GLU  26   3.529  -2.940  -3.153
  220   2HB   GLU  26          2HB       GLU  26   4.152  -4.227  -2.130
  221   1HG   GLU  26          1HG       GLU  26   5.663  -3.780  -3.963
  222   2HG   GLU  26          2HG       GLU  26   4.984  -5.400  -4.100
  223    H    ASN  27           H        ASN  27   2.626  -5.963  -1.024
  224    HA   ASN  27           HA       ASN  27   3.299  -8.559  -2.219
  225   1HB   ASN  27          1HB       ASN  27   4.122  -9.172   0.013
  226   2HB   ASN  27          2HB       ASN  27   4.881  -7.689  -0.554
  227   1HD2  ASN  27          1HD2      ASN  27   4.676  -5.867   0.624
  228   2HD2  ASN  27          2HD2      ASN  27   3.762  -5.747   2.084
  229    H    LYS  28           H        LYS  28   2.523 -10.446  -0.648
  230    HA   LYS  28           HA       LYS  28  -0.336 -10.010  -0.078
  231   1HB   LYS  28          1HB       LYS  28   1.007 -12.242  -1.570
  232   2HB   LYS  28          2HB       LYS  28  -0.507 -12.534  -0.723
  233   1HG   LYS  28          1HG       LYS  28  -1.150 -10.304  -2.095
  234   2HG   LYS  28          2HG       LYS  28   0.021 -11.031  -3.196
  235   1HD   LYS  28          1HD       LYS  28  -1.249 -13.097  -3.230
  236   2HD   LYS  28          2HD       LYS  28  -2.384 -12.446  -2.044
  237   1HE   LYS  28          1HE       LYS  28  -2.765 -10.569  -3.771
  238   2HE   LYS  28          2HE       LYS  28  -2.001 -11.670  -4.916
  239   1HZ   LYS  28          1HZ       LYS  28  -3.691 -13.329  -4.357
  240   2HZ   LYS  28          2HZ       LYS  28  -4.387 -11.916  -4.972
  241   3HZ   LYS  28          3HZ       LYS  28  -4.438 -12.229  -3.311
  242    H    LYS  29           H        LYS  29   0.756  -9.553   2.070
  243    HA   LYS  29           HA       LYS  29   1.504 -11.973   3.533
  244   1HB   LYS  29          1HB       LYS  29   1.769  -9.035   4.071
  245   2HB   LYS  29          2HB       LYS  29   1.860 -10.179   5.402
  246   1HG   LYS  29          1HG       LYS  29   3.684 -11.352   4.148
  247   2HG   LYS  29          2HG       LYS  29   3.667 -10.008   3.005
  248   1HD   LYS  29          1HD       LYS  29   3.892  -9.385   5.906
  249   2HD   LYS  29          2HD       LYS  29   5.305 -10.052   5.087
  250   1HE   LYS  29          1HE       LYS  29   3.806  -7.725   3.935
  251   2HE   LYS  29          2HE       LYS  29   5.021  -7.488   5.190
  252   1HZ   LYS  29          1HZ       LYS  29   5.482  -8.799   2.563
  253   2HZ   LYS  29          2HZ       LYS  29   6.648  -8.572   3.766
  254   3HZ   LYS  29          3HZ       LYS  29   5.969  -7.235   2.985
  Start of MODEL   39
    1    H    TYR   1           H        TYR   1 -10.705  14.712   4.720
    2    HA   TYR   1           HA       TYR   1  -8.531  12.744   4.569
    3   1HB   TYR   1          1HB       TYR   1 -11.131  12.723   3.061
    4   2HB   TYR   1          2HB       TYR   1 -10.123  11.367   3.551
    5    HD1  TYR   1           HD1      TYR   1 -13.130  12.993   4.168
    6    HD2  TYR   1           HD2      TYR   1  -9.890  11.165   6.233
    7    HE1  TYR   1           HE1      TYR   1 -14.581  12.640   6.120
    8    HE2  TYR   1           HE2      TYR   1 -11.333  10.805   8.191
    9    HH   TYR   1           HH       TYR   1 -14.353  10.688   8.257
   10    H    LYS   2           H        LYS   2  -6.946  13.539   3.303
   11    HA   LYS   2           HA       LYS   2  -7.631  15.146   0.961
   12   1HB   LYS   2          1HB       LYS   2  -5.794  15.791   2.599
   13   2HB   LYS   2          2HB       LYS   2  -4.860  14.459   1.935
   14   1HG   LYS   2          1HG       LYS   2  -4.136  15.792   0.327
   15   2HG   LYS   2          2HG       LYS   2  -5.793  15.974  -0.253
   16   1HD   LYS   2          1HD       LYS   2  -5.879  17.702   1.779
   17   2HD   LYS   2          2HD       LYS   2  -4.151  17.785   1.427
   18   1HE   LYS   2          1HE       LYS   2  -4.937  19.424   0.031
   19   2HE   LYS   2          2HE       LYS   2  -4.991  18.031  -1.049
   20   1HZ   LYS   2          1HZ       LYS   2  -7.030  19.314  -1.166
   21   2HZ   LYS   2          2HZ       LYS   2  -7.288  19.118   0.493
   22   3HZ   LYS   2          3HZ       LYS   2  -7.343  17.776  -0.535
   23    H    PHE   3           H        PHE   3  -5.463  12.373   1.645
   24    HA   PHE   3           HA       PHE   3  -5.648  11.596  -1.163
   25   1HB   PHE   3          1HB       PHE   3  -3.731  11.090   1.056
   26   2HB   PHE   3          2HB       PHE   3  -3.878   9.873  -0.195
   27    HD1  PHE   3           HD1      PHE   3  -3.237  13.485   0.326
   28    HD2  PHE   3           HD2      PHE   3  -2.739  10.108  -2.215
   29    HE1  PHE   3           HE1      PHE   3  -1.724  14.792  -1.109
   30    HE2  PHE   3           HE2      PHE   3  -1.226  11.409  -3.654
   31    HZ   PHE   3           HZ       PHE   3  -0.716  13.754  -3.101
   32    H    ALA   4           H        ALA   4  -5.705   9.203  -1.603
   33    HA   ALA   4           HA       ALA   4  -7.065   7.535   0.323
   34   1HB   ALA   4          1HB       ALA   4  -8.491   8.394  -2.193
   35   2HB   ALA   4          2HB       ALA   4  -8.951   8.790  -0.537
   36   3HB   ALA   4          3HB       ALA   4  -9.033   7.121  -1.099
   37    H    CYS   5           H        CYS   5  -6.793   5.371  -0.097
   38    HA   CYS   5           HA       CYS   5  -4.876   4.670  -2.120
   39   1HB   CYS   5          1HB       CYS   5  -5.074   3.647   0.223
   40   2HB   CYS   5          2HB       CYS   5  -6.420   2.720  -0.418
   41    HG   CYS   5           HG       CYS   5  -4.764   1.117  -1.203
   42    HA   PRO   6           HA       PRO   6  -7.804   3.532  -5.263
   43   1HB   PRO   6          1HB       PRO   6  -6.168   2.140  -6.896
   44   2HB   PRO   6          2HB       PRO   6  -6.068   3.897  -6.736
   45   1HG   PRO   6          1HG       PRO   6  -4.373   1.780  -5.473
   46   2HG   PRO   6          2HG       PRO   6  -3.883   3.323  -6.195
   47   1HD   PRO   6          1HD       PRO   6  -4.151   2.936  -3.506
   48   2HD   PRO   6          2HD       PRO   6  -4.377   4.510  -4.296
   49    H    GLU   7           H        GLU   7  -6.127   1.231  -3.290
   50    HA   GLU   7           HA       GLU   7  -7.722  -0.993  -4.327
   51   1HB   GLU   7          1HB       GLU   7  -5.165  -0.754  -2.816
   52   2HB   GLU   7          2HB       GLU   7  -6.142  -2.188  -2.555
   53   1HG   GLU   7          1HG       GLU   7  -4.630  -2.778  -4.233
   54   2HG   GLU   7          2HG       GLU   7  -6.145  -2.465  -5.079
   55    H    CYS   8           H        CYS   8  -6.879   0.644  -1.274
   56    HA   CYS   8           HA       CYS   8  -9.299  -0.535  -0.067
   57   1HB   CYS   8          1HB       CYS   8  -8.187  -0.433   2.087
   58   2HB   CYS   8          2HB       CYS   8  -7.193  -1.328   0.948
   59    HG   CYS   8           HG       CYS   8  -6.480   1.634   1.464
   60    HA   PRO   9           HA       PRO   9 -10.610   3.583   0.862
   61   1HB   PRO   9          1HB       PRO   9 -12.236   3.188   2.939
   62   2HB   PRO   9          2HB       PRO   9 -12.553   2.431   1.374
   63   1HG   PRO   9          1HG       PRO   9 -11.464   1.235   3.872
   64   2HG   PRO   9          2HG       PRO   9 -12.502   0.507   2.636
   65   1HD   PRO   9          1HD       PRO   9  -9.696   0.230   2.873
   66   2HD   PRO   9          2HD       PRO   9 -10.701  -0.289   1.509
   67    H    LYS  10           H        LYS  10  -7.955   3.304   1.931
   68    HA   LYS  10           HA       LYS  10  -8.092   4.351   4.641
   69   1HB   LYS  10          1HB       LYS  10  -5.633   3.866   2.948
   70   2HB   LYS  10          2HB       LYS  10  -5.671   4.210   4.651
   71   1HG   LYS  10          1HG       LYS  10  -7.143   1.828   3.670
   72   2HG   LYS  10          2HG       LYS  10  -5.382   1.765   3.781
   73   1HD   LYS  10          1HD       LYS  10  -5.551   2.465   6.152
   74   2HD   LYS  10          2HD       LYS  10  -7.309   2.392   6.016
   75   1HE   LYS  10          1HE       LYS  10  -7.031  -0.015   5.305
   76   2HE   LYS  10          2HE       LYS  10  -5.339   0.128   5.779
   77   1HZ   LYS  10          1HZ       LYS  10  -6.061   0.692   8.023
   78   2HZ   LYS  10          2HZ       LYS  10  -6.661  -0.819   7.555
   79   3HZ   LYS  10          3HZ       LYS  10  -7.682   0.529   7.562
   80    H    ARG  11           H        ARG  11  -7.135   6.336   5.248
   81    HA   ARG  11           HA       ARG  11  -6.656   8.300   3.133
   82   1HB   ARG  11          1HB       ARG  11  -8.068   9.953   4.515
   83   2HB   ARG  11          2HB       ARG  11  -8.912   8.797   3.496
   84   1HG   ARG  11          1HG       ARG  11  -8.702   7.482   5.915
   85   2HG   ARG  11          2HG       ARG  11  -9.003   9.159   6.373
   86   1HD   ARG  11          1HD       ARG  11 -10.937   9.185   4.824
   87   2HD   ARG  11          2HD       ARG  11 -10.663   7.474   4.501
   88    HE   ARG  11           HE       ARG  11 -11.817   8.645   6.882
   89   1HH1  ARG  11          1HH1      ARG  11 -10.369   5.790   5.459
   90   2HH1  ARG  11          2HH1      ARG  11 -11.065   4.711   6.619
   91   1HH2  ARG  11          1HH2      ARG  11 -12.726   7.219   8.406
   92   2HH2  ARG  11          2HH2      ARG  11 -12.403   5.521   8.293
   93    H    PHE  12           H        PHE  12  -4.989   9.619   3.581
   94    HA   PHE  12           HA       PHE  12  -4.077   9.800   6.374
   95   1HB   PHE  12          1HB       PHE  12  -2.263   9.440   4.016
   96   2HB   PHE  12          2HB       PHE  12  -1.782   9.492   5.697
   97    HD1  PHE  12           HD1      PHE  12  -4.245   7.581   3.637
   98    HD2  PHE  12           HD2      PHE  12  -1.156   7.455   6.558
   99    HE1  PHE  12           HE1      PHE  12  -4.444   5.150   3.728
  100    HE2  PHE  12           HE2      PHE  12  -1.357   5.001   6.656
  101    HZ   PHE  12           HZ       PHE  12  -3.005   3.847   5.219
  102    H    MET  13           H        MET  13  -2.858  11.647   6.926
  103    HA   MET  13           HA       MET  13  -3.630  14.016   5.484
  104   1HB   MET  13          1HB       MET  13  -1.987  13.569   7.978
  105   2HB   MET  13          2HB       MET  13  -2.267  15.165   7.296
  106   1HG   MET  13          1HG       MET  13  -4.722  14.726   7.511
  107   2HG   MET  13          2HG       MET  13  -4.313  13.259   8.400
  108   1HE   MET  13          1HE       MET  13  -3.965  13.240  10.985
  109   2HE   MET  13          2HE       MET  13  -2.929  14.459  11.726
  110   3HE   MET  13          3HE       MET  13  -2.339  13.515  10.358
  111    H    ARG  14           H        ARG  14  -0.795  12.002   5.739
  112    HA   ARG  14           HA       ARG  14   0.837  13.953   4.279
  113   1HB   ARG  14          1HB       ARG  14   1.569  11.348   5.621
  114   2HB   ARG  14          2HB       ARG  14   2.706  12.353   4.742
  115   1HG   ARG  14          1HG       ARG  14   1.195  13.152   7.223
  116   2HG   ARG  14          2HG       ARG  14   2.890  12.666   7.151
  117   1HD   ARG  14          1HD       ARG  14   3.106  14.946   7.116
  118   2HD   ARG  14          2HD       ARG  14   3.041  14.602   5.384
  119    HE   ARG  14           HE       ARG  14   0.439  15.013   6.141
  120   1HH1  ARG  14          1HH1      ARG  14   3.391  16.890   6.258
  121   2HH1  ARG  14          2HH1      ARG  14   2.575  18.410   6.122
  122   1HH2  ARG  14          1HH2      ARG  14  -0.631  17.017   5.958
  123   2HH2  ARG  14          2HH2      ARG  14   0.290  18.483   5.952
  124    H    SER  15           H        SER  15   2.005  13.298   2.388
  125    HA   SER  15           HA       SER  15   0.460  11.486   0.715
  126   1HB   SER  15          1HB       SER  15   0.827  13.196  -0.656
  127   2HB   SER  15          2HB       SER  15   2.210  13.787   0.259
  128    HG   SER  15           HG       SER  15   2.914  13.094  -1.754
  129    H    ASP  16           H        ASP  16   3.808  11.935   1.789
  130    HA   ASP  16           HA       ASP  16   4.842   9.628   0.498
  131   1HB   ASP  16          1HB       ASP  16   6.657   9.965   2.438
  132   2HB   ASP  16          2HB       ASP  16   6.599  10.994   1.015
  133    H    HIS  17           H        HIS  17   3.804  10.229   3.847
  134    HA   HIS  17           HA       HIS  17   4.395   7.671   4.856
  135   1HB   HIS  17          1HB       HIS  17   2.385   9.754   5.709
  136   2HB   HIS  17          2HB       HIS  17   2.644   8.259   6.596
  137    HD1  HIS  17           HD1      HIS  17   3.267  10.171   8.477
  138    HD2  HIS  17           HD2      HIS  17   5.993   9.539   5.405
  139    HE1  HIS  17           HE1      HIS  17   5.432  11.154   9.286
  140    HE2  HIS  17           HE2      HIS  17   7.042  10.847   7.375
  141    H    LEU  18           H        LEU  18   1.446   8.986   3.380
  142    HA   LEU  18           HA       LEU  18  -0.227   6.778   3.757
  143   1HB   LEU  18          1HB       LEU  18  -0.890   9.037   2.940
  144   2HB   LEU  18          2HB       LEU  18  -0.190   8.644   1.392
  145    HG   LEU  18           HG       LEU  18  -2.323   6.902   2.550
  146   1HD1  LEU  18          1HD1      LEU  18  -3.459   8.901   2.705
  147   2HD1  LEU  18          2HD1      LEU  18  -3.856   8.376   1.071
  148   3HD1  LEU  18          3HD1      LEU  18  -2.613   9.604   1.330
  149   1HD2  LEU  18          1HD2      LEU  18  -1.812   5.838   0.661
  150   2HD2  LEU  18          2HD2      LEU  18  -0.944   7.227   0.004
  151   3HD2  LEU  18          3HD2      LEU  18  -2.699   7.135  -0.144
  152    H    THR  19           H        THR  19   1.955   7.597   1.073
  153    HA   THR  19           HA       THR  19   1.375   5.374  -0.513
  154    HB   THR  19           HB       THR  19   3.988   6.895  -0.343
  155    HG1  THR  19           HG1      THR  19   2.729   8.440  -1.019
  156   1HG2  THR  19          1HG2      THR  19   4.391   4.966  -1.649
  157   2HG2  THR  19          2HG2      THR  19   4.151   6.305  -2.772
  158   3HG2  THR  19          3HG2      THR  19   2.856   5.139  -2.499
  159    H    LEU  20           H        LEU  20   3.503   5.789   2.246
  160    HA   LEU  20           HA       LEU  20   5.051   3.456   1.982
  161   1HB   LEU  20          1HB       LEU  20   5.367   5.404   3.601
  162   2HB   LEU  20          2HB       LEU  20   4.146   4.646   4.602
  163    HG   LEU  20           HG       LEU  20   6.309   2.824   3.846
  164   1HD1  LEU  20          1HD1      LEU  20   6.946   5.191   5.600
  165   2HD1  LEU  20          2HD1      LEU  20   7.589   4.914   3.981
  166   3HD1  LEU  20          3HD1      LEU  20   7.991   3.804   5.291
  167   1HD2  LEU  20          1HD2      LEU  20   6.219   2.297   6.225
  168   2HD2  LEU  20          2HD2      LEU  20   4.602   2.307   5.522
  169   3HD2  LEU  20          3HD2      LEU  20   5.147   3.670   6.499
  170    H    HIS  21           H        HIS  21   1.836   4.040   3.277
  171    HA   HIS  21           HA       HIS  21   1.401   1.556   4.515
  172   1HB   HIS  21          1HB       HIS  21  -0.536   2.550   5.057
  173   2HB   HIS  21          2HB       HIS  21  -0.027   3.948   4.153
  174    HD1  HIS  21           HD1      HIS  21  -2.008   4.709   2.837
  175    HD2  HIS  21           HD2      HIS  21  -1.603   0.592   2.772
  176    HE1  HIS  21           HE1      HIS  21  -3.892   3.816   1.419
  177    H    ILE  22           H        ILE  22   0.533   2.763   1.321
  178    HA   ILE  22           HA       ILE  22  -0.833   0.567   0.379
  179    HB   ILE  22           HB       ILE  22   0.838   2.326  -1.407
  180   1HG1  ILE  22          1HG1      ILE  22  -1.994   2.984  -0.797
  181   2HG1  ILE  22          2HG1      ILE  22  -0.825   3.371   0.442
  182   1HG2  ILE  22          1HG2      ILE  22  -0.637   1.755  -3.104
  183   2HG2  ILE  22          2HG2      ILE  22  -1.899   1.264  -1.973
  184   3HG2  ILE  22          3HG2      ILE  22  -0.485   0.236  -2.220
  185   1HD1  ILE  22          1HD1      ILE  22  -0.546   5.273  -0.634
  186   2HD1  ILE  22          2HD1      ILE  22  -1.392   4.682  -2.062
  187   3HD1  ILE  22          3HD1      ILE  22   0.325   4.344  -1.851
  188    H    LEU  23           H        LEU  23   2.530   0.710   1.002
  189    HA   LEU  23           HA       LEU  23   3.503  -1.096  -0.922
  190   1HB   LEU  23          1HB       LEU  23   4.388  -0.170   1.757
  191   2HB   LEU  23          2HB       LEU  23   5.083  -1.668   1.170
  192    HG   LEU  23           HG       LEU  23   5.182   0.372  -0.877
  193   1HD1  LEU  23          1HD1      LEU  23   6.332   1.038   1.818
  194   2HD1  LEU  23          2HD1      LEU  23   5.290   2.027   0.794
  195   3HD1  LEU  23          3HD1      LEU  23   6.960   1.719   0.316
  196   1HD2  LEU  23          1HD2      LEU  23   7.347  -1.115   0.605
  197   2HD2  LEU  23          2HD2      LEU  23   7.523  -0.261  -0.928
  198   3HD2  LEU  23          3HD2      LEU  23   6.506  -1.697  -0.831
  199    H    LEU  24           H        LEU  24   1.545  -1.549   1.925
  200    HA   LEU  24           HA       LEU  24   2.000  -4.235   2.533
  201   1HB   LEU  24          1HB       LEU  24  -0.705  -2.893   2.583
  202   2HB   LEU  24          2HB       LEU  24  -0.187  -4.263   3.543
  203    HG   LEU  24           HG       LEU  24   1.355  -1.763   3.916
  204   1HD1  LEU  24          1HD1      LEU  24  -0.270  -0.634   5.190
  205   2HD1  LEU  24          2HD1      LEU  24  -1.365  -2.017   5.173
  206   3HD1  LEU  24          3HD1      LEU  24  -1.094  -1.087   3.697
  207   1HD2  LEU  24          1HD2      LEU  24   0.197  -3.837   5.774
  208   2HD2  LEU  24          2HD2      LEU  24   1.226  -2.490   6.263
  209   3HD2  LEU  24          3HD2      LEU  24   1.865  -3.750   5.206
  210    H    HIS  25           H        HIS  25  -0.254  -2.775   0.210
  211    HA   HIS  25           HA       HIS  25  -1.505  -5.095  -0.697
  212   1HB   HIS  25          1HB       HIS  25  -0.904  -2.586  -2.281
  213   2HB   HIS  25          2HB       HIS  25  -2.119  -3.796  -2.683
  214    HD1  HIS  25           HD1      HIS  25  -3.996  -4.089  -0.604
  215    HD2  HIS  25           HD2      HIS  25  -1.906  -0.511  -0.913
  216    HE1  HIS  25           HE1      HIS  25  -5.314  -2.378   0.713
  217    H    GLU  26           H        GLU  26   1.527  -3.591  -1.733
  218    HA   GLU  26           HA       GLU  26   1.999  -5.162  -4.011
  219   1HB   GLU  26          1HB       GLU  26   3.244  -3.065  -3.241
  220   2HB   GLU  26          2HB       GLU  26   4.164  -4.125  -2.183
  221   1HG   GLU  26          1HG       GLU  26   5.473  -3.832  -4.110
  222   2HG   GLU  26          2HG       GLU  26   4.778  -5.446  -4.241
  223    H    ASN  27           H        ASN  27   2.998  -5.643  -0.628
  224    HA   ASN  27           HA       ASN  27   3.032  -8.505  -1.014
  225   1HB   ASN  27          1HB       ASN  27   5.423  -8.522   0.094
  226   2HB   ASN  27          2HB       ASN  27   5.249  -8.368  -1.649
  227   1HD2  ASN  27          1HD2      ASN  27   5.884  -6.512  -2.649
  228   2HD2  ASN  27          2HD2      ASN  27   6.665  -5.204  -1.833
  229    H    LYS  28           H        LYS  28   1.601  -8.871   0.588
  230    HA   LYS  28           HA       LYS  28   2.121  -7.700   3.233
  231   1HB   LYS  28          1HB       LYS  28  -0.177  -7.598   1.938
  232   2HB   LYS  28          2HB       LYS  28  -0.379  -9.213   2.602
  233   1HG   LYS  28          1HG       LYS  28  -0.072  -8.323   4.859
  234   2HG   LYS  28          2HG       LYS  28   0.124  -6.702   4.189
  235   1HD   LYS  28          1HD       LYS  28  -2.127  -6.701   3.367
  236   2HD   LYS  28          2HD       LYS  28  -2.335  -8.402   3.789
  237   1HE   LYS  28          1HE       LYS  28  -3.410  -7.286   5.523
  238   2HE   LYS  28          2HE       LYS  28  -1.821  -7.645   6.196
  239   1HZ   LYS  28          1HZ       LYS  28  -2.618  -5.046   4.995
  240   2HZ   LYS  28          2HZ       LYS  28  -1.127  -5.397   5.711
  241   3HZ   LYS  28          3HZ       LYS  28  -2.530  -5.367   6.654
  242    H    LYS  29           H        LYS  29   2.874  -8.921   4.835
  243    HA   LYS  29           HA       LYS  29   2.521 -11.836   4.702
  244   1HB   LYS  29          1HB       LYS  29   4.863 -10.852   3.990
  245   2HB   LYS  29          2HB       LYS  29   5.100 -10.724   5.727
  246   1HG   LYS  29          1HG       LYS  29   4.152 -13.311   4.610
  247   2HG   LYS  29          2HG       LYS  29   5.844 -12.860   4.396
  248   1HD   LYS  29          1HD       LYS  29   5.880 -12.422   6.904
  249   2HD   LYS  29          2HD       LYS  29   4.327 -13.259   6.963
  250   1HE   LYS  29          1HE       LYS  29   5.327 -15.257   6.042
  251   2HE   LYS  29          2HE       LYS  29   6.868 -14.427   5.834
  252   1HZ   LYS  29          1HZ       LYS  29   6.886 -15.806   7.806
  253   2HZ   LYS  29          2HZ       LYS  29   5.538 -14.997   8.429
  254   3HZ   LYS  29          3HZ       LYS  29   7.005 -14.174   8.241
  Start of MODEL   40
    1    H    TYR   1           H        TYR   1  -8.108  13.796   6.975
    2    HA   TYR   1           HA       TYR   1  -7.059  11.507   5.455
    3   1HB   TYR   1          1HB       TYR   1  -9.878  12.460   6.029
    4   2HB   TYR   1          2HB       TYR   1  -9.429  10.979   5.193
    5    HD1  TYR   1           HD1      TYR   1  -7.467   9.700   6.800
    6    HD2  TYR   1           HD2      TYR   1 -10.814  11.995   8.077
    7    HE1  TYR   1           HE1      TYR   1  -7.471   8.493   8.941
    8    HE2  TYR   1           HE2      TYR   1 -10.826  10.797  10.222
    9    HH   TYR   1           HH       TYR   1  -8.665   9.404  11.566
   10    H    LYS   2           H        LYS   2  -5.916  13.045   4.054
   11    HA   LYS   2           HA       LYS   2  -7.619  14.736   2.386
   12   1HB   LYS   2          1HB       LYS   2  -4.741  14.635   3.039
   13   2HB   LYS   2          2HB       LYS   2  -5.117  15.076   1.380
   14   1HG   LYS   2          1HG       LYS   2  -6.705  16.803   2.367
   15   2HG   LYS   2          2HG       LYS   2  -5.905  16.484   3.907
   16   1HD   LYS   2          1HD       LYS   2  -3.815  17.232   3.085
   17   2HD   LYS   2          2HD       LYS   2  -4.388  17.227   1.416
   18   1HE   LYS   2          1HE       LYS   2  -5.752  18.961   3.428
   19   2HE   LYS   2          2HE       LYS   2  -4.202  19.469   2.761
   20   1HZ   LYS   2          1HZ       LYS   2  -6.041  20.372   1.490
   21   2HZ   LYS   2          2HZ       LYS   2  -6.635  18.818   1.185
   22   3HZ   LYS   2          3HZ       LYS   2  -5.147  19.295   0.539
   23    H    PHE   3           H        PHE   3  -5.165  12.175   1.955
   24    HA   PHE   3           HA       PHE   3  -6.026  11.779  -0.796
   25   1HB   PHE   3          1HB       PHE   3  -3.670  11.038   0.832
   26   2HB   PHE   3          2HB       PHE   3  -4.145   9.885  -0.398
   27    HD1  PHE   3           HD1      PHE   3  -4.324  10.675  -2.794
   28    HD2  PHE   3           HD2      PHE   3  -2.501  12.986   0.282
   29    HE1  PHE   3           HE1      PHE   3  -3.161  12.019  -4.496
   30    HE2  PHE   3           HE2      PHE   3  -1.338  14.333  -1.416
   31    HZ   PHE   3           HZ       PHE   3  -1.667  13.851  -3.808
   32    H    ALA   4           H        ALA   4  -6.051   9.364  -1.489
   33    HA   ALA   4           HA       ALA   4  -7.241   7.571   0.456
   34   1HB   ALA   4          1HB       ALA   4  -8.794   8.528  -1.946
   35   2HB   ALA   4          2HB       ALA   4  -9.187   8.819  -0.251
   36   3HB   ALA   4          3HB       ALA   4  -9.264   7.183  -0.907
   37    H    CYS   5           H        CYS   5  -6.812   5.465  -0.007
   38    HA   CYS   5           HA       CYS   5  -5.004   4.861  -2.118
   39   1HB   CYS   5          1HB       CYS   5  -5.285   3.700   0.195
   40   2HB   CYS   5          2HB       CYS   5  -6.524   2.753  -0.613
   41    HG   CYS   5           HG       CYS   5  -3.621   2.737  -1.709
   42    HA   PRO   6           HA       PRO   6  -7.926   3.960  -5.342
   43   1HB   PRO   6          1HB       PRO   6  -6.293   2.600  -7.018
   44   2HB   PRO   6          2HB       PRO   6  -6.189   4.350  -6.802
   45   1HG   PRO   6          1HG       PRO   6  -4.516   2.188  -5.583
   46   2HG   PRO   6          2HG       PRO   6  -4.007   3.743  -6.270
   47   1HD   PRO   6          1HD       PRO   6  -4.268   3.326  -3.601
   48   2HD   PRO   6          2HD       PRO   6  -4.551   4.907  -4.361
   49    H    GLU   7           H        GLU   7  -6.211   1.497  -3.569
   50    HA   GLU   7           HA       GLU   7  -7.931  -0.611  -4.658
   51   1HB   GLU   7          1HB       GLU   7  -5.280  -0.677  -4.247
   52   2HB   GLU   7          2HB       GLU   7  -5.815  -1.243  -2.671
   53   1HG   GLU   7          1HG       GLU   7  -6.866  -2.487  -5.180
   54   2HG   GLU   7          2HG       GLU   7  -5.302  -2.961  -4.519
   55    H    CYS   8           H        CYS   8  -6.821   0.648  -1.497
   56    HA   CYS   8           HA       CYS   8  -9.194  -0.588  -0.262
   57   1HB   CYS   8          1HB       CYS   8  -8.018  -0.595   1.816
   58   2HB   CYS   8          2HB       CYS   8  -6.930  -1.240   0.599
   59    HG   CYS   8           HG       CYS   8  -5.365   0.612   0.999
   60    HA   PRO   9           HA       PRO   9 -10.699   3.398   0.914
   61   1HB   PRO   9          1HB       PRO   9 -12.118   2.837   3.102
   62   2HB   PRO   9          2HB       PRO   9 -12.515   2.109   1.543
   63   1HG   PRO   9          1HG       PRO   9 -11.158   0.910   3.902
   64   2HG   PRO   9          2HG       PRO   9 -12.237   0.153   2.721
   65   1HD   PRO   9          1HD       PRO   9  -9.411   0.060   2.737
   66   2HD   PRO   9          2HD       PRO   9 -10.480  -0.486   1.436
   67    H    LYS  10           H        LYS  10  -7.920   3.073   1.892
   68    HA   LYS  10           HA       LYS  10  -7.970   4.170   4.580
   69   1HB   LYS  10          1HB       LYS  10  -5.605   3.683   2.765
   70   2HB   LYS  10          2HB       LYS  10  -5.527   4.115   4.446
   71   1HG   LYS  10          1HG       LYS  10  -7.051   1.677   3.758
   72   2HG   LYS  10          2HG       LYS  10  -5.292   1.617   3.625
   73   1HD   LYS  10          1HD       LYS  10  -5.111   2.402   5.952
   74   2HD   LYS  10          2HD       LYS  10  -6.872   2.396   6.075
   75   1HE   LYS  10          1HE       LYS  10  -6.244   0.362   7.027
   76   2HE   LYS  10          2HE       LYS  10  -6.714  -0.070   5.384
   77   1HZ   LYS  10          1HZ       LYS  10  -4.390  -0.095   4.750
   78   2HZ   LYS  10          2HZ       LYS  10  -4.647  -1.144   6.052
   79   3HZ   LYS  10          3HZ       LYS  10  -3.924   0.364   6.312
   80    H    ARG  11           H        ARG  11  -7.062   6.187   5.136
   81    HA   ARG  11           HA       ARG  11  -6.725   8.141   2.985
   82   1HB   ARG  11          1HB       ARG  11  -8.484   8.587   5.395
   83   2HB   ARG  11          2HB       ARG  11  -8.129   9.760   4.145
   84   1HG   ARG  11          1HG       ARG  11  -9.471   8.715   2.586
   85   2HG   ARG  11          2HG       ARG  11  -9.403   7.162   3.419
   86   1HD   ARG  11          1HD       ARG  11 -10.936   7.833   5.048
   87   2HD   ARG  11          2HD       ARG  11 -10.701   9.543   4.694
   88    HE   ARG  11           HE       ARG  11 -12.242   9.384   3.002
   89   1HH1  ARG  11          1HH1      ARG  11 -11.376   6.153   4.045
   90   2HH1  ARG  11          2HH1      ARG  11 -12.626   5.390   3.122
   91   1HH2  ARG  11          1HH2      ARG  11 -13.884   8.371   1.791
   92   2HH2  ARG  11          2HH2      ARG  11 -14.049   6.647   1.843
   93    H    PHE  12           H        PHE  12  -5.180   9.651   3.380
   94    HA   PHE  12           HA       PHE  12  -4.084   9.870   6.090
   95   1HB   PHE  12          1HB       PHE  12  -2.331   9.437   3.697
   96   2HB   PHE  12          2HB       PHE  12  -1.822   9.523   5.368
   97    HD1  PHE  12           HD1      PHE  12  -4.217   7.554   3.289
   98    HD2  PHE  12           HD2      PHE  12  -1.271   7.516   6.357
   99    HE1  PHE  12           HE1      PHE  12  -4.413   5.122   3.432
  100    HE2  PHE  12           HE2      PHE  12  -1.466   5.066   6.508
  101    HZ   PHE  12           HZ       PHE  12  -3.040   3.866   5.031
  102    H    MET  13           H        MET  13  -3.061  11.800   6.572
  103    HA   MET  13           HA       MET  13  -3.808  14.037   4.918
  104   1HB   MET  13          1HB       MET  13  -2.589  15.360   6.735
  105   2HB   MET  13          2HB       MET  13  -4.023  14.467   7.218
  106   1HG   MET  13          1HG       MET  13  -2.828  12.933   8.435
  107   2HG   MET  13          2HG       MET  13  -1.353  13.182   7.505
  108   1HE   MET  13          1HE       MET  13  -2.829  13.401  10.696
  109   2HE   MET  13          2HE       MET  13  -1.733  14.468  11.575
  110   3HE   MET  13          3HE       MET  13  -1.102  13.047  10.743
  111    H    ARG  14           H        ARG  14  -0.977  12.091   5.347
  112    HA   ARG  14           HA       ARG  14   0.712  14.064   3.986
  113   1HB   ARG  14          1HB       ARG  14   1.358  11.502   5.450
  114   2HB   ARG  14          2HB       ARG  14   2.544  12.371   4.490
  115   1HG   ARG  14          1HG       ARG  14   2.990  13.192   6.573
  116   2HG   ARG  14          2HG       ARG  14   1.845  14.398   5.982
  117   1HD   ARG  14          1HD       ARG  14   0.531  13.983   7.722
  118   2HD   ARG  14          2HD       ARG  14   0.335  12.320   7.164
  119    HE   ARG  14           HE       ARG  14   1.758  11.636   8.815
  120   1HH1  ARG  14          1HH1      ARG  14   2.103  15.100   8.439
  121   2HH1  ARG  14          2HH1      ARG  14   3.109  15.275   9.836
  122   1HH2  ARG  14          1HH2      ARG  14   3.084  11.874  10.656
  123   2HH2  ARG  14          2HH2      ARG  14   3.667  13.445  11.094
  124    H    SER  15           H        SER  15   2.085  13.333   2.207
  125    HA   SER  15           HA       SER  15   0.601  11.561   0.423
  126   1HB   SER  15          1HB       SER  15   1.033  13.204  -0.988
  127   2HB   SER  15          2HB       SER  15   2.245  13.923   0.069
  128    HG   SER  15           HG       SER  15   3.783  12.922  -1.005
  129    H    ASP  16           H        ASP  16   3.858  11.956   1.783
  130    HA   ASP  16           HA       ASP  16   4.896   9.633   0.464
  131   1HB   ASP  16          1HB       ASP  16   6.924  10.015   1.699
  132   2HB   ASP  16          2HB       ASP  16   6.317  11.567   1.142
  133    H    HIS  17           H        HIS  17   3.631  10.314   3.700
  134    HA   HIS  17           HA       HIS  17   4.297   7.799   4.830
  135   1HB   HIS  17          1HB       HIS  17   2.275   9.912   5.560
  136   2HB   HIS  17          2HB       HIS  17   2.410   8.407   6.457
  137    HD1  HIS  17           HD1      HIS  17   3.022  10.054   8.476
  138    HD2  HIS  17           HD2      HIS  17   5.828   9.784   5.426
  139    HE1  HIS  17           HE1      HIS  17   5.139  11.007   9.426
  140    HE2  HIS  17           HE2      HIS  17   6.794  10.939   7.529
  141    H    LEU  18           H        LEU  18   1.403   9.034   3.191
  142    HA   LEU  18           HA       LEU  18  -0.276   6.834   3.563
  143   1HB   LEU  18          1HB       LEU  18  -0.892   9.065   2.619
  144   2HB   LEU  18          2HB       LEU  18  -0.129   8.593   1.122
  145    HG   LEU  18           HG       LEU  18  -2.297   6.888   2.261
  146   1HD1  LEU  18          1HD1      LEU  18  -2.588   9.546   0.940
  147   2HD1  LEU  18          2HD1      LEU  18  -3.446   8.895   2.335
  148   3HD1  LEU  18          3HD1      LEU  18  -3.812   8.295   0.717
  149   1HD2  LEU  18          1HD2      LEU  18  -2.575   7.090  -0.461
  150   2HD2  LEU  18          2HD2      LEU  18  -1.759   5.785   0.409
  151   3HD2  LEU  18          3HD2      LEU  18  -0.828   7.142  -0.229
  152    H    THR  19           H        THR  19   2.038   7.550   0.961
  153    HA   THR  19           HA       THR  19   1.527   5.265  -0.560
  154    HB   THR  19           HB       THR  19   4.139   6.782  -0.344
  155    HG1  THR  19           HG1      THR  19   2.925   8.322  -1.104
  156   1HG2  THR  19          1HG2      THR  19   3.051   4.994  -2.498
  157   2HG2  THR  19          2HG2      THR  19   4.548   4.805  -1.584
  158   3HG2  THR  19          3HG2      THR  19   4.382   6.124  -2.743
  159    H    LEU  20           H        LEU  20   3.573   5.806   2.252
  160    HA   LEU  20           HA       LEU  20   5.113   3.461   2.148
  161   1HB   LEU  20          1HB       LEU  20   5.393   5.451   3.703
  162   2HB   LEU  20          2HB       LEU  20   4.100   4.772   4.669
  163    HG   LEU  20           HG       LEU  20   6.261   2.873   4.105
  164   1HD1  LEU  20          1HD1      LEU  20   7.601   4.903   4.262
  165   2HD1  LEU  20          2HD1      LEU  20   7.845   3.869   5.669
  166   3HD1  LEU  20          3HD1      LEU  20   6.828   5.305   5.795
  167   1HD2  LEU  20          1HD2      LEU  20   4.942   3.819   6.648
  168   2HD2  LEU  20          2HD2      LEU  20   6.001   2.417   6.484
  169   3HD2  LEU  20          3HD2      LEU  20   4.435   2.439   5.673
  170    H    HIS  21           H        HIS  21   1.858   4.102   3.323
  171    HA   HIS  21           HA       HIS  21   1.349   1.673   4.627
  172   1HB   HIS  21          1HB       HIS  21  -0.611   2.703   5.014
  173   2HB   HIS  21          2HB       HIS  21  -0.073   4.036   4.033
  174    HD1  HIS  21           HD1      HIS  21  -2.035   4.671   2.607
  175    HD2  HIS  21           HD2      HIS  21  -1.518   0.570   2.791
  176    HE1  HIS  21           HE1      HIS  21  -3.839   3.646   1.164
  177    H    ILE  22           H        ILE  22   0.640   2.719   1.344
  178    HA   ILE  22           HA       ILE  22  -0.636   0.454   0.438
  179    HB   ILE  22           HB       ILE  22   1.091   2.165  -1.341
  180   1HG1  ILE  22          1HG1      ILE  22  -1.779   2.793  -0.895
  181   2HG1  ILE  22          2HG1      ILE  22  -0.675   3.263   0.376
  182   1HG2  ILE  22          1HG2      ILE  22  -0.177   1.404  -3.084
  183   2HG2  ILE  22          2HG2      ILE  22  -1.600   1.146  -2.070
  184   3HG2  ILE  22          3HG2      ILE  22  -0.269  -0.013  -2.037
  185   1HD1  ILE  22          1HD1      ILE  22   0.559   4.149  -1.912
  186   2HD1  ILE  22          2HD1      ILE  22  -0.380   5.117  -0.776
  187   3HD1  ILE  22          3HD1      ILE  22  -1.153   4.445  -2.209
  188    H    LEU  23           H        LEU  23   2.640   0.622   1.317
  189    HA   LEU  23           HA       LEU  23   3.846  -1.144  -0.481
  190   1HB   LEU  23          1HB       LEU  23   4.315  -0.593   2.441
  191   2HB   LEU  23          2HB       LEU  23   5.276  -1.769   1.566
  192    HG   LEU  23           HG       LEU  23   5.050   1.120   0.731
  193   1HD1  LEU  23          1HD1      LEU  23   6.038   0.810   3.022
  194   2HD1  LEU  23          2HD1      LEU  23   7.100   1.569   1.835
  195   3HD1  LEU  23          3HD1      LEU  23   7.322  -0.129   2.259
  196   1HD2  LEU  23          1HD2      LEU  23   5.719  -0.381  -1.048
  197   2HD2  LEU  23          2HD2      LEU  23   6.961  -1.091  -0.017
  198   3HD2  LEU  23          3HD2      LEU  23   7.098   0.590  -0.533
  199    H    LEU  24           H        LEU  24   1.676  -1.707   2.243
  200    HA   LEU  24           HA       LEU  24   2.038  -4.472   2.559
  201   1HB   LEU  24          1HB       LEU  24  -0.344  -4.456   3.414
  202   2HB   LEU  24          2HB       LEU  24   0.796  -3.413   4.236
  203    HG   LEU  24           HG       LEU  24  -0.258  -1.698   2.393
  204   1HD1  LEU  24          1HD1      LEU  24  -2.589  -3.332   3.351
  205   2HD1  LEU  24          2HD1      LEU  24  -1.894  -3.484   1.738
  206   3HD1  LEU  24          3HD1      LEU  24  -2.602  -1.951   2.251
  207   1HD2  LEU  24          1HD2      LEU  24  -1.283  -0.646   4.228
  208   2HD2  LEU  24          2HD2      LEU  24   0.105  -1.504   4.896
  209   3HD2  LEU  24          3HD2      LEU  24  -1.516  -2.174   5.076
  210    H    HIS  25           H        HIS  25   0.022  -2.662   0.293
  211    HA   HIS  25           HA       HIS  25  -1.552  -4.724  -0.702
  212   1HB   HIS  25          1HB       HIS  25  -0.514  -2.199  -1.969
  213   2HB   HIS  25          2HB       HIS  25  -1.558  -3.310  -2.848
  214    HD1  HIS  25           HD1      HIS  25  -3.924  -3.839  -1.440
  215    HD2  HIS  25           HD2      HIS  25  -1.870  -0.325  -0.613
  216    HE1  HIS  25           HE1      HIS  25  -5.571  -2.305  -0.290
  217    H    GLU  26           H        GLU  26   1.791  -3.915  -1.424
  218    HA   GLU  26           HA       GLU  26   2.179  -5.325  -3.784
  219   1HB   GLU  26          1HB       GLU  26   3.835  -3.831  -2.581
  220   2HB   GLU  26          2HB       GLU  26   4.181  -5.195  -1.527
  221   1HG   GLU  26          1HG       GLU  26   4.554  -6.398  -3.870
  222   2HG   GLU  26          2HG       GLU  26   4.914  -4.741  -4.357
  223    H    ASN  27           H        ASN  27   2.309  -6.491  -0.430
  224    HA   ASN  27           HA       ASN  27   2.517  -9.251  -1.417
  225   1HB   ASN  27          1HB       ASN  27   3.034  -8.047   1.309
  226   2HB   ASN  27          2HB       ASN  27   3.030  -9.782   1.000
  227   1HD2  ASN  27          1HD2      ASN  27   4.766 -10.719   0.026
  228   2HD2  ASN  27          2HD2      ASN  27   6.212  -9.867  -0.379
  229    H    LYS  28           H        LYS  28   0.198  -8.912  -2.081
  230    HA   LYS  28           HA       LYS  28  -1.675  -9.197   0.165
  231   1HB   LYS  28          1HB       LYS  28  -1.864  -7.554  -1.959
  232   2HB   LYS  28          2HB       LYS  28  -2.691  -8.961  -2.612
  233   1HG   LYS  28          1HG       LYS  28  -4.467  -7.904  -1.691
  234   2HG   LYS  28          2HG       LYS  28  -3.952  -8.833  -0.283
  235   1HD   LYS  28          1HD       LYS  28  -2.970  -6.975   0.734
  236   2HD   LYS  28          2HD       LYS  28  -2.886  -6.075  -0.781
  237   1HE   LYS  28          1HE       LYS  28  -5.213  -5.657  -0.774
  238   2HE   LYS  28          2HE       LYS  28  -5.497  -6.844   0.499
  239   1HZ   LYS  28          1HZ       LYS  28  -5.483  -4.373   1.113
  240   2HZ   LYS  28          2HZ       LYS  28  -3.799  -4.481   0.995
  241   3HZ   LYS  28          3HZ       LYS  28  -4.631  -5.444   2.109
  242    H    LYS  29           H        LYS  29  -2.893 -10.997   0.461
  243    HA   LYS  29           HA       LYS  29  -2.098 -13.378  -0.980
  244   1HB   LYS  29          1HB       LYS  29  -3.394 -14.599   0.670
  245   2HB   LYS  29          2HB       LYS  29  -2.358 -13.426   1.470
  246   1HG   LYS  29          1HG       LYS  29  -4.536 -11.931   1.310
  247   2HG   LYS  29          2HG       LYS  29  -5.315 -13.513   1.247
  248   1HD   LYS  29          1HD       LYS  29  -3.268 -12.882   3.347
  249   2HD   LYS  29          2HD       LYS  29  -4.953 -12.398   3.547
  250   1HE   LYS  29          1HE       LYS  29  -5.666 -14.711   3.312
  251   2HE   LYS  29          2HE       LYS  29  -3.999 -15.215   3.036
  252   1HZ   LYS  29          1HZ       LYS  29  -5.067 -14.010   5.533
  253   2HZ   LYS  29          2HZ       LYS  29  -3.452 -14.441   5.273
  254   3HZ   LYS  29          3HZ       LYS  29  -4.651 -15.635   5.309
  Start of MODEL   41
    1    H    TYR   1           H        TYR   1  -6.762  13.527   6.545
    2    HA   TYR   1           HA       TYR   1  -7.949  11.113   5.382
    3   1HB   TYR   1          1HB       TYR   1  -9.296  13.330   6.939
    4   2HB   TYR   1          2HB       TYR   1 -10.163  12.245   5.858
    5    HD1  TYR   1           HD1      TYR   1 -10.094   9.746   6.368
    6    HD2  TYR   1           HD2      TYR   1  -8.857  12.708   9.158
    7    HE1  TYR   1           HE1      TYR   1 -10.340   8.119   8.194
    8    HE2  TYR   1           HE2      TYR   1  -9.099  11.090  10.993
    9    HH   TYR   1           HH       TYR   1 -10.755   8.662  11.098
   10    H    LYS   2           H        LYS   2  -6.085  12.957   4.238
   11    HA   LYS   2           HA       LYS   2  -7.709  14.738   2.588
   12   1HB   LYS   2          1HB       LYS   2  -5.505  15.431   3.699
   13   2HB   LYS   2          2HB       LYS   2  -4.713  14.449   2.474
   14   1HG   LYS   2          1HG       LYS   2  -5.651  15.818   0.716
   15   2HG   LYS   2          2HG       LYS   2  -6.558  16.760   1.902
   16   1HD   LYS   2          1HD       LYS   2  -4.764  18.141   1.660
   17   2HD   LYS   2          2HD       LYS   2  -4.127  17.090   2.925
   18   1HE   LYS   2          1HE       LYS   2  -3.690  16.151   0.170
   19   2HE   LYS   2          2HE       LYS   2  -2.849  17.640   0.599
   20   1HZ   LYS   2          1HZ       LYS   2  -2.024  16.411   2.608
   21   2HZ   LYS   2          2HZ       LYS   2  -1.411  15.869   1.129
   22   3HZ   LYS   2          3HZ       LYS   2  -2.626  14.992   1.911
   23    H    PHE   3           H        PHE   3  -5.248  12.186   2.138
   24    HA   PHE   3           HA       PHE   3  -5.965  11.935  -0.664
   25   1HB   PHE   3          1HB       PHE   3  -3.758  10.959   1.082
   26   2HB   PHE   3          2HB       PHE   3  -4.143  10.025  -0.349
   27    HD1  PHE   3           HD1      PHE   3  -4.055  11.155  -2.598
   28    HD2  PHE   3           HD2      PHE   3  -2.525  12.945   0.946
   29    HE1  PHE   3           HE1      PHE   3  -2.710  12.698  -3.964
   30    HE2  PHE   3           HE2      PHE   3  -1.177  14.491  -0.412
   31    HZ   PHE   3           HZ       PHE   3  -1.269  14.370  -2.870
   32    H    ALA   4           H        ALA   4  -5.982   9.549  -1.467
   33    HA   ALA   4           HA       ALA   4  -7.421   7.752   0.324
   34   1HB   ALA   4          1HB       ALA   4  -9.244   8.960  -0.634
   35   2HB   ALA   4          2HB       ALA   4  -9.189   7.376  -1.406
   36   3HB   ALA   4          3HB       ALA   4  -8.575   8.794  -2.257
   37    H    CYS   5           H        CYS   5  -7.109   5.600  -0.146
   38    HA   CYS   5           HA       CYS   5  -5.007   4.993  -2.027
   39   1HB   CYS   5          1HB       CYS   5  -5.305   3.953   0.297
   40   2HB   CYS   5          2HB       CYS   5  -6.572   2.977  -0.428
   41    HG   CYS   5           HG       CYS   5  -4.682   1.455  -0.848
   42    HA   PRO   6           HA       PRO   6  -7.724   3.797  -5.338
   43   1HB   PRO   6          1HB       PRO   6  -5.925   2.556  -6.922
   44   2HB   PRO   6          2HB       PRO   6  -5.948   4.311  -6.717
   45   1HG   PRO   6          1HG       PRO   6  -4.180   2.275  -5.421
   46   2HG   PRO   6          2HG       PRO   6  -3.759   3.865  -6.083
   47   1HD   PRO   6          1HD       PRO   6  -4.127   3.392  -3.419
   48   2HD   PRO   6          2HD       PRO   6  -4.420   4.969  -4.183
   49    H    GLU   7           H        GLU   7  -5.912   1.548  -3.406
   50    HA   GLU   7           HA       GLU   7  -7.307  -0.761  -4.529
   51   1HB   GLU   7          1HB       GLU   7  -4.847  -0.334  -2.932
   52   2HB   GLU   7          2HB       GLU   7  -5.744  -1.806  -2.600
   53   1HG   GLU   7          1HG       GLU   7  -5.541  -2.514  -4.883
   54   2HG   GLU   7          2HG       GLU   7  -4.809  -0.975  -5.335
   55    H    CYS   8           H        CYS   8  -6.764   0.864  -1.406
   56    HA   CYS   8           HA       CYS   8  -9.184  -0.470  -0.367
   57   1HB   CYS   8          1HB       CYS   8  -8.199  -0.514   1.811
   58   2HB   CYS   8          2HB       CYS   8  -7.021  -1.173   0.689
   59    HG   CYS   8           HG       CYS   8  -5.459   0.630   1.260
   60    HA   PRO   9           HA       PRO   9 -10.689   3.550   0.701
   61   1HB   PRO   9          1HB       PRO   9 -12.285   3.029   2.780
   62   2HB   PRO   9          2HB       PRO   9 -12.584   2.316   1.191
   63   1HG   PRO   9          1HG       PRO   9 -11.452   1.071   3.641
   64   2HG   PRO   9          2HG       PRO   9 -12.450   0.349   2.369
   65   1HD   PRO   9          1HD       PRO   9  -9.634   0.185   2.619
   66   2HD   PRO   9          2HD       PRO   9 -10.608  -0.336   1.236
   67    H    LYS  10           H        LYS  10  -8.012   3.301   1.786
   68    HA   LYS  10           HA       LYS  10  -8.212   4.334   4.502
   69   1HB   LYS  10          1HB       LYS  10  -5.761   3.760   2.832
   70   2HB   LYS  10          2HB       LYS  10  -5.749   4.267   4.493
   71   1HG   LYS  10          1HG       LYS  10  -7.179   1.779   3.661
   72   2HG   LYS  10          2HG       LYS  10  -5.448   1.783   4.003
   73   1HD   LYS  10          1HD       LYS  10  -6.128   1.334   6.105
   74   2HD   LYS  10          2HD       LYS  10  -6.379   3.080   6.182
   75   1HE   LYS  10          1HE       LYS  10  -8.680   2.886   5.895
   76   2HE   LYS  10          2HE       LYS  10  -8.554   1.273   5.197
   77   1HZ   LYS  10          1HZ       LYS  10  -9.438   1.208   7.445
   78   2HZ   LYS  10          2HZ       LYS  10  -8.048   1.964   8.042
   79   3HZ   LYS  10          3HZ       LYS  10  -7.945   0.415   7.370
   80    H    ARG  11           H        ARG  11  -7.279   6.313   5.133
   81    HA   ARG  11           HA       ARG  11  -6.874   8.309   3.025
   82   1HB   ARG  11          1HB       ARG  11  -8.316   9.239   5.435
   83   2HB   ARG  11          2HB       ARG  11  -8.499   9.715   3.759
   84   1HG   ARG  11          1HG       ARG  11  -9.468   7.045   4.697
   85   2HG   ARG  11          2HG       ARG  11 -10.438   8.499   4.930
   86   1HD   ARG  11          1HD       ARG  11 -10.493   8.911   2.566
   87   2HD   ARG  11          2HD       ARG  11  -9.354   7.600   2.267
   88    HE   ARG  11           HE       ARG  11 -11.890   6.911   3.532
   89   1HH1  ARG  11          1HH1      ARG  11  -9.946   6.953   0.616
   90   2HH1  ARG  11          2HH1      ARG  11 -10.929   5.787  -0.201
   91   1HH2  ARG  11          1HH2      ARG  11 -13.179   5.379   2.447
   92   2HH2  ARG  11          2HH2      ARG  11 -12.764   4.894   0.837
   93    H    PHE  12           H        PHE  12  -5.202   9.678   3.397
   94    HA   PHE  12           HA       PHE  12  -4.104   9.836   6.119
   95   1HB   PHE  12          1HB       PHE  12  -2.412   9.439   3.675
   96   2HB   PHE  12          2HB       PHE  12  -1.848   9.511   5.329
   97    HD1  PHE  12           HD1      PHE  12  -4.351   7.564   3.351
   98    HD2  PHE  12           HD2      PHE  12  -1.237   7.498   6.249
   99    HE1  PHE  12           HE1      PHE  12  -4.538   5.131   3.485
  100    HE2  PHE  12           HE2      PHE  12  -1.425   5.048   6.390
  101    HZ   PHE  12           HZ       PHE  12  -3.078   3.862   4.992
  102    H    MET  13           H        MET  13  -3.023  11.731   6.644
  103    HA   MET  13           HA       MET  13  -3.774  14.045   5.109
  104   1HB   MET  13          1HB       MET  13  -2.053  13.805   7.587
  105   2HB   MET  13          2HB       MET  13  -2.629  15.316   6.897
  106   1HG   MET  13          1HG       MET  13  -4.645  15.109   7.826
  107   2HG   MET  13          2HG       MET  13  -4.759  13.395   7.429
  108   1HE   MET  13          1HE       MET  13  -3.391  11.557  10.431
  109   2HE   MET  13          2HE       MET  13  -2.510  11.856   8.933
  110   3HE   MET  13          3HE       MET  13  -4.238  11.507   8.885
  111    H    ARG  14           H        ARG  14  -0.957  12.040   5.433
  112    HA   ARG  14           HA       ARG  14   0.712  13.973   3.994
  113   1HB   ARG  14          1HB       ARG  14   1.426  11.362   5.350
  114   2HB   ARG  14          2HB       ARG  14   2.571  12.406   4.522
  115   1HG   ARG  14          1HG       ARG  14   2.894  13.039   6.695
  116   2HG   ARG  14          2HG       ARG  14   1.681  14.215   6.186
  117   1HD   ARG  14          1HD       ARG  14   0.475  13.554   7.942
  118   2HD   ARG  14          2HD       ARG  14   0.187  12.052   7.060
  119    HE   ARG  14           HE       ARG  14   1.603  10.970   8.496
  120   1HH1  ARG  14          1HH1      ARG  14   2.039  14.421   8.897
  121   2HH1  ARG  14          2HH1      ARG  14   3.050  14.255  10.292
  122   1HH2  ARG  14          1HH2      ARG  14   2.935  10.758  10.336
  123   2HH2  ARG  14          2HH2      ARG  14   3.561  12.176  11.109
  124    H    SER  15           H        SER  15   1.910  13.292   2.121
  125    HA   SER  15           HA       SER  15   0.382  11.446   0.460
  126   1HB   SER  15          1HB       SER  15   0.879  12.791  -1.215
  127   2HB   SER  15          2HB       SER  15   1.606  13.890  -0.047
  128    HG   SER  15           HG       SER  15   3.284  13.528  -1.317
  129    H    ASP  16           H        ASP  16   3.714  11.944   1.565
  130    HA   ASP  16           HA       ASP  16   4.776   9.640   0.281
  131   1HB   ASP  16          1HB       ASP  16   6.609   9.996   2.167
  132   2HB   ASP  16          2HB       ASP  16   6.491  11.082   0.790
  133    H    HIS  17           H        HIS  17   3.767  10.262   3.642
  134    HA   HIS  17           HA       HIS  17   4.372   7.706   4.643
  135   1HB   HIS  17          1HB       HIS  17   2.473   9.862   5.533
  136   2HB   HIS  17          2HB       HIS  17   2.554   8.321   6.374
  137    HD1  HIS  17           HD1      HIS  17   3.375   9.754   8.447
  138    HD2  HIS  17           HD2      HIS  17   5.972   9.643   5.204
  139    HE1  HIS  17           HE1      HIS  17   5.574  10.586   9.319
  140    HE2  HIS  17           HE2      HIS  17   7.114  10.585   7.327
  141    H    LEU  18           H        LEU  18   1.457   8.987   3.095
  142    HA   LEU  18           HA       LEU  18  -0.258   6.828   3.560
  143   1HB   LEU  18          1HB       LEU  18  -0.874   9.050   2.606
  144   2HB   LEU  18          2HB       LEU  18  -0.163   8.554   1.091
  145    HG   LEU  18           HG       LEU  18  -2.327   6.902   2.323
  146   1HD1  LEU  18          1HD1      LEU  18  -2.565   9.580   1.095
  147   2HD1  LEU  18          2HD1      LEU  18  -3.549   8.816   2.341
  148   3HD1  LEU  18          3HD1      LEU  18  -3.764   8.365   0.650
  149   1HD2  LEU  18          1HD2      LEU  18  -1.899   5.743   0.481
  150   2HD2  LEU  18          2HD2      LEU  18  -0.893   7.031  -0.185
  151   3HD2  LEU  18          3HD2      LEU  18  -2.642   7.073  -0.413
  152    H    THR  19           H        THR  19   2.003   7.452   0.883
  153    HA   THR  19           HA       THR  19   1.390   5.135  -0.565
  154    HB   THR  19           HB       THR  19   4.061   6.559  -0.518
  155    HG1  THR  19           HG1      THR  19   2.899   8.179  -1.185
  156   1HG2  THR  19          1HG2      THR  19   4.131   5.912  -2.911
  157   2HG2  THR  19          2HG2      THR  19   2.709   4.904  -2.633
  158   3HG2  THR  19          3HG2      THR  19   4.219   4.549  -1.795
  159    H    LEU  20           H        LEU  20   3.534   5.723   2.155
  160    HA   LEU  20           HA       LEU  20   5.074   3.382   2.068
  161   1HB   LEU  20          1HB       LEU  20   5.334   5.414   3.598
  162   2HB   LEU  20          2HB       LEU  20   4.096   4.689   4.603
  163    HG   LEU  20           HG       LEU  20   5.612   2.640   4.738
  164   1HD1  LEU  20          1HD1      LEU  20   8.003   3.072   4.369
  165   2HD1  LEU  20          2HD1      LEU  20   7.599   4.638   3.665
  166   3HD1  LEU  20          3HD1      LEU  20   7.073   3.153   2.872
  167   1HD2  LEU  20          1HD2      LEU  20   6.553   5.240   5.941
  168   2HD2  LEU  20          2HD2      LEU  20   6.961   3.626   6.522
  169   3HD2  LEU  20          3HD2      LEU  20   5.294   4.192   6.591
  170    H    HIS  21           H        HIS  21   1.816   4.013   3.206
  171    HA   HIS  21           HA       HIS  21   1.352   1.583   4.558
  172   1HB   HIS  21          1HB       HIS  21  -0.576   2.632   5.014
  173   2HB   HIS  21          2HB       HIS  21  -0.083   3.955   3.998
  174    HD1  HIS  21           HD1      HIS  21  -2.091   4.570   2.647
  175    HD2  HIS  21           HD2      HIS  21  -1.572   0.468   2.872
  176    HE1  HIS  21           HE1      HIS  21  -3.964   3.531   1.311
  177    H    ILE  22           H        ILE  22   0.663   2.646   1.276
  178    HA   ILE  22           HA       ILE  22  -0.607   0.301   0.430
  179    HB   ILE  22           HB       ILE  22   0.882   2.113  -1.454
  180   1HG1  ILE  22          1HG1      ILE  22  -1.946   2.691  -0.799
  181   2HG1  ILE  22          2HG1      ILE  22  -0.785   3.129   0.433
  182   1HG2  ILE  22          1HG2      ILE  22  -0.570  -0.114  -1.954
  183   2HG2  ILE  22          2HG2      ILE  22  -0.422   1.236  -3.078
  184   3HG2  ILE  22          3HG2      ILE  22  -1.830   1.118  -2.020
  185   1HD1  ILE  22          1HD1      ILE  22   0.315   4.092  -1.906
  186   2HD1  ILE  22          2HD1      ILE  22  -0.528   5.019  -0.665
  187   3HD1  ILE  22          3HD1      ILE  22  -1.412   4.410  -2.062
  188    H    LEU  23           H        LEU  23   2.593   0.536   1.312
  189    HA   LEU  23           HA       LEU  23   3.838  -1.038  -0.689
  190   1HB   LEU  23          1HB       LEU  23   4.575   0.137   1.823
  191   2HB   LEU  23          2HB       LEU  23   5.097  -1.534   1.793
  192    HG   LEU  23           HG       LEU  23   6.116  -0.931  -0.519
  193   1HD1  LEU  23          1HD1      LEU  23   5.914   1.810   0.720
  194   2HD1  LEU  23          2HD1      LEU  23   5.021   1.257  -0.697
  195   3HD1  LEU  23          3HD1      LEU  23   6.778   1.387  -0.759
  196   1HD2  LEU  23          1HD2      LEU  23   7.350   0.232   1.973
  197   2HD2  LEU  23          2HD2      LEU  23   8.189  -0.328   0.526
  198   3HD2  LEU  23          3HD2      LEU  23   7.354  -1.483   1.565
  199    H    LEU  24           H        LEU  24   2.011  -1.793   2.250
  200    HA   LEU  24           HA       LEU  24   2.641  -4.568   2.274
  201   1HB   LEU  24          1HB       LEU  24   0.334  -4.652   3.561
  202   2HB   LEU  24          2HB       LEU  24   1.815  -4.102   4.309
  203    HG   LEU  24           HG       LEU  24   1.072  -1.746   3.769
  204   1HD1  LEU  24          1HD1      LEU  24  -1.421  -1.502   3.525
  205   2HD1  LEU  24          2HD1      LEU  24  -1.477  -3.220   3.129
  206   3HD1  LEU  24          3HD1      LEU  24  -0.588  -2.106   2.092
  207   1HD2  LEU  24          1HD2      LEU  24   0.802  -3.183   5.939
  208   2HD2  LEU  24          2HD2      LEU  24  -0.913  -3.024   5.564
  209   3HD2  LEU  24          3HD2      LEU  24   0.073  -1.583   5.809
  210    H    HIS  25           H        HIS  25   0.329  -2.685   0.479
  211    HA   HIS  25           HA       HIS  25  -1.568  -4.603  -0.187
  212   1HB   HIS  25          1HB       HIS  25  -0.553  -2.126  -1.483
  213   2HB   HIS  25          2HB       HIS  25  -1.485  -3.227  -2.487
  214    HD1  HIS  25           HD1      HIS  25  -3.845  -4.013  -0.986
  215    HD2  HIS  25           HD2      HIS  25  -2.150  -0.260  -0.452
  216    HE1  HIS  25           HE1      HIS  25  -5.657  -2.547  -0.005
  217    H    GLU  26           H        GLU  26   1.582  -3.940  -1.669
  218    HA   GLU  26           HA       GLU  26   1.291  -5.968  -3.681
  219   1HB   GLU  26          1HB       GLU  26   2.687  -4.078  -4.181
  220   2HB   GLU  26          2HB       GLU  26   3.657  -4.341  -2.740
  221   1HG   GLU  26          1HG       GLU  26   3.535  -6.529  -4.738
  222   2HG   GLU  26          2HG       GLU  26   4.461  -5.087  -5.148
  223    H    ASN  27           H        ASN  27   3.401  -5.645  -0.811
  224    HA   ASN  27           HA       ASN  27   3.917  -8.521  -0.888
  225   1HB   ASN  27          1HB       ASN  27   5.695  -6.633  -0.517
  226   2HB   ASN  27          2HB       ASN  27   5.114  -6.670   1.146
  227   1HD2  ASN  27          1HD2      ASN  27   5.442  -8.530   2.395
  228   2HD2  ASN  27          2HD2      ASN  27   6.607  -9.725   1.950
  229    H    LYS  28           H        LYS  28   2.179  -9.567  -0.062
  230    HA   LYS  28           HA       LYS  28   1.624  -9.155   2.774
  231   1HB   LYS  28          1HB       LYS  28  -0.038  -7.873   1.245
  232   2HB   LYS  28          2HB       LYS  28  -0.695  -9.464   0.889
  233   1HG   LYS  28          1HG       LYS  28  -1.985  -8.457   2.635
  234   2HG   LYS  28          2HG       LYS  28  -1.070  -9.807   3.309
  235   1HD   LYS  28          1HD       LYS  28   0.481  -7.402   3.493
  236   2HD   LYS  28          2HD       LYS  28  -1.117  -7.131   4.190
  237   1HE   LYS  28          1HE       LYS  28  -0.765  -8.576   5.899
  238   2HE   LYS  28          2HE       LYS  28   0.211  -9.668   4.917
  239   1HZ   LYS  28          1HZ       LYS  28   1.493  -8.553   6.668
  240   2HZ   LYS  28          2HZ       LYS  28   1.144  -7.051   5.973
  241   3HZ   LYS  28          3HZ       LYS  28   2.074  -8.181   5.123
  242    H    LYS  29           H        LYS  29   1.573 -11.036   3.815
  243    HA   LYS  29           HA       LYS  29   1.125 -13.489   2.243
  244   1HB   LYS  29          1HB       LYS  29   2.916 -12.900   4.580
  245   2HB   LYS  29          2HB       LYS  29   2.394 -14.547   4.252
  246   1HG   LYS  29          1HG       LYS  29   3.636 -14.714   2.347
  247   2HG   LYS  29          2HG       LYS  29   3.566 -12.982   2.017
  248   1HD   LYS  29          1HD       LYS  29   5.316 -12.503   3.431
  249   2HD   LYS  29          2HD       LYS  29   5.035 -13.928   4.434
  250   1HE   LYS  29          1HE       LYS  29   5.894 -14.282   1.597
  251   2HE   LYS  29          2HE       LYS  29   7.089 -13.818   2.808
  252   1HZ   LYS  29          1HZ       LYS  29   5.354 -16.228   2.906
  253   2HZ   LYS  29          2HZ       LYS  29   6.463 -15.776   4.101
  254   3HZ   LYS  29          3HZ       LYS  29   7.010 -16.205   2.561
  Start of MODEL   42
    1    H    TYR   1           H        TYR   1  -6.868  13.839   6.284
    2    HA   TYR   1           HA       TYR   1  -7.133  11.160   5.128
    3   1HB   TYR   1          1HB       TYR   1  -9.578  11.725   4.884
    4   2HB   TYR   1          2HB       TYR   1  -9.063  11.388   6.532
    5    HD1  TYR   1           HD1      TYR   1 -10.373  13.906   4.248
    6    HD2  TYR   1           HD2      TYR   1  -8.903  13.214   8.180
    7    HE1  TYR   1           HE1      TYR   1 -11.330  16.050   4.978
    8    HE2  TYR   1           HE2      TYR   1  -9.857  15.356   8.920
    9    HH   TYR   1           HH       TYR   1 -12.087  16.895   7.706
   10    H    LYS   2           H        LYS   2  -5.425  13.195   4.241
   11    HA   LYS   2           HA       LYS   2  -6.708  14.831   2.273
   12   1HB   LYS   2          1HB       LYS   2  -4.585  15.464   3.388
   13   2HB   LYS   2          2HB       LYS   2  -3.778  14.137   2.563
   14   1HG   LYS   2          1HG       LYS   2  -3.837  15.185   0.520
   15   2HG   LYS   2          2HG       LYS   2  -5.233  16.177   0.949
   16   1HD   LYS   2          1HD       LYS   2  -3.799  17.452   2.510
   17   2HD   LYS   2          2HD       LYS   2  -2.413  16.500   1.974
   18   1HE   LYS   2          1HE       LYS   2  -2.542  17.385  -0.223
   19   2HE   LYS   2          2HE       LYS   2  -4.124  18.100   0.086
   20   1HZ   LYS   2          1HZ       LYS   2  -1.574  18.930   1.366
   21   2HZ   LYS   2          2HZ       LYS   2  -3.091  19.617   1.659
   22   3HZ   LYS   2          3HZ       LYS   2  -2.378  19.764   0.133
   23    H    PHE   3           H        PHE   3  -4.447  12.066   1.993
   24    HA   PHE   3           HA       PHE   3  -5.203  11.724  -0.794
   25   1HB   PHE   3          1HB       PHE   3  -2.976  10.842   0.933
   26   2HB   PHE   3          2HB       PHE   3  -3.491   9.680  -0.271
   27    HD1  PHE   3           HD1      PHE   3  -2.681   9.819  -2.431
   28    HD2  PHE   3           HD2      PHE   3  -2.518  13.250   0.083
   29    HE1  PHE   3           HE1      PHE   3  -1.386  11.012  -4.149
   30    HE2  PHE   3           HE2      PHE   3  -1.222  14.449  -1.630
   31    HZ   PHE   3           HZ       PHE   3  -0.656  13.330  -3.749
   32    H    ALA   4           H        ALA   4  -5.486   9.382  -1.540
   33    HA   ALA   4           HA       ALA   4  -6.905   7.689   0.362
   34   1HB   ALA   4          1HB       ALA   4  -8.672   9.110  -0.498
   35   2HB   ALA   4          2HB       ALA   4  -8.867   7.468  -1.110
   36   3HB   ALA   4          3HB       ALA   4  -8.207   8.726  -2.155
   37    H    CYS   5           H        CYS   5  -6.850   5.518  -0.156
   38    HA   CYS   5           HA       CYS   5  -4.954   4.762  -2.206
   39   1HB   CYS   5          1HB       CYS   5  -5.209   3.748   0.179
   40   2HB   CYS   5          2HB       CYS   5  -6.498   2.799  -0.542
   41    HG   CYS   5           HG       CYS   5  -4.833   1.336  -1.584
   42    HA   PRO   6           HA       PRO   6  -8.074   3.765  -5.219
   43   1HB   PRO   6          1HB       PRO   6  -6.516   2.505  -7.014
   44   2HB   PRO   6          2HB       PRO   6  -6.425   4.251  -6.758
   45   1HG   PRO   6          1HG       PRO   6  -4.636   2.087  -5.721
   46   2HG   PRO   6          2HG       PRO   6  -4.206   3.678  -6.378
   47   1HD   PRO   6          1HD       PRO   6  -4.326   3.118  -3.700
   48   2HD   PRO   6          2HD       PRO   6  -4.584   4.738  -4.383
   49    H    GLU   7           H        GLU   7  -6.212   1.425  -3.476
   50    HA   GLU   7           HA       GLU   7  -7.796  -0.809  -4.515
   51   1HB   GLU   7          1HB       GLU   7  -5.104  -0.555  -3.749
   52   2HB   GLU   7          2HB       GLU   7  -5.855  -1.545  -2.506
   53   1HG   GLU   7          1HG       GLU   7  -6.772  -2.973  -4.374
   54   2HG   GLU   7          2HG       GLU   7  -5.706  -2.079  -5.456
   55    H    CYS   8           H        CYS   8  -6.894   0.735  -1.431
   56    HA   CYS   8           HA       CYS   8  -9.219  -0.587  -0.184
   57   1HB   CYS   8          1HB       CYS   8  -8.051  -0.606   1.905
   58   2HB   CYS   8          2HB       CYS   8  -6.979  -1.283   0.691
   59    HG   CYS   8           HG       CYS   8  -5.400   0.597   0.995
   60    HA   PRO   9           HA       PRO   9 -10.663   3.419   1.000
   61   1HB   PRO   9          1HB       PRO   9 -12.112   2.870   3.173
   62   2HB   PRO   9          2HB       PRO   9 -12.509   2.159   1.605
   63   1HG   PRO   9          1HG       PRO   9 -11.195   0.920   3.968
   64   2HG   PRO   9          2HG       PRO   9 -12.277   0.191   2.770
   65   1HD   PRO   9          1HD       PRO   9  -9.451   0.049   2.816
   66   2HD   PRO   9          2HD       PRO   9 -10.518  -0.472   1.501
   67    H    LYS  10           H        LYS  10  -7.940   3.299   1.837
   68    HA   LYS  10           HA       LYS  10  -7.960   4.292   4.585
   69   1HB   LYS  10          1HB       LYS  10  -5.596   3.770   2.771
   70   2HB   LYS  10          2HB       LYS  10  -5.520   4.208   4.451
   71   1HG   LYS  10          1HG       LYS  10  -7.080   1.793   3.782
   72   2HG   LYS  10          2HG       LYS  10  -5.325   1.700   3.628
   73   1HD   LYS  10          1HD       LYS  10  -5.732   1.010   5.821
   74   2HD   LYS  10          2HD       LYS  10  -5.261   2.701   5.990
   75   1HE   LYS  10          1HE       LYS  10  -7.185   2.191   7.395
   76   2HE   LYS  10          2HE       LYS  10  -7.616   3.346   6.137
   77   1HZ   LYS  10          1HZ       LYS  10  -8.082   0.444   5.795
   78   2HZ   LYS  10          2HZ       LYS  10  -8.800   1.732   4.964
   79   3HZ   LYS  10          3HZ       LYS  10  -9.210   1.434   6.578
   80    H    ARG  11           H        ARG  11  -6.921   6.288   5.125
   81    HA   ARG  11           HA       ARG  11  -6.542   8.234   2.988
   82   1HB   ARG  11          1HB       ARG  11  -8.047   9.877   4.054
   83   2HB   ARG  11          2HB       ARG  11  -8.911   8.459   3.478
   84   1HG   ARG  11          1HG       ARG  11  -8.674   7.596   5.892
   85   2HG   ARG  11          2HG       ARG  11  -8.297   9.273   6.291
   86   1HD   ARG  11          1HD       ARG  11 -10.418   9.977   5.930
   87   2HD   ARG  11          2HD       ARG  11 -10.683   8.844   4.607
   88    HE   ARG  11           HE       ARG  11 -11.242   8.424   7.405
   89   1HH1  ARG  11          1HH1      ARG  11 -10.698   6.878   4.310
   90   2HH1  ARG  11          2HH1      ARG  11 -11.522   5.422   4.755
   91   1HH2  ARG  11          1HH2      ARG  11 -12.327   6.506   7.984
   92   2HH2  ARG  11          2HH2      ARG  11 -12.449   5.210   6.841
   93    H    PHE  12           H        PHE  12  -4.889   9.584   3.420
   94    HA   PHE  12           HA       PHE  12  -4.043   9.897   6.220
   95   1HB   PHE  12          1HB       PHE  12  -2.120   9.472   3.967
   96   2HB   PHE  12          2HB       PHE  12  -1.748   9.509   5.672
   97    HD1  PHE  12           HD1      PHE  12  -4.097   7.644   3.460
   98    HD2  PHE  12           HD2      PHE  12  -1.203   7.447   6.566
   99    HE1  PHE  12           HE1      PHE  12  -4.360   5.218   3.531
  100    HE2  PHE  12           HE2      PHE  12  -1.465   4.997   6.645
  101    HZ   PHE  12           HZ       PHE  12  -3.055   3.881   5.112
  102    H    MET  13           H        MET  13  -3.169  11.844   6.782
  103    HA   MET  13           HA       MET  13  -3.880  14.107   5.246
  104   1HB   MET  13          1HB       MET  13  -2.159  13.758   7.695
  105   2HB   MET  13          2HB       MET  13  -2.428  15.334   6.962
  106   1HG   MET  13          1HG       MET  13  -4.774  15.207   7.380
  107   2HG   MET  13          2HG       MET  13  -4.641  13.529   7.904
  108   1HE   MET  13          1HE       MET  13  -5.052  13.506  10.974
  109   2HE   MET  13          2HE       MET  13  -6.058  14.074   9.641
  110   3HE   MET  13          3HE       MET  13  -5.767  15.117  11.032
  111    H    ARG  14           H        ARG  14  -0.937  12.235   5.491
  112    HA   ARG  14           HA       ARG  14   0.519  14.186   3.858
  113   1HB   ARG  14          1HB       ARG  14   1.373  11.830   5.519
  114   2HB   ARG  14          2HB       ARG  14   2.449  12.527   4.323
  115   1HG   ARG  14          1HG       ARG  14   3.039  13.520   6.365
  116   2HG   ARG  14          2HG       ARG  14   2.109  14.742   5.497
  117   1HD   ARG  14          1HD       ARG  14   0.728  14.897   7.229
  118   2HD   ARG  14          2HD       ARG  14   0.265  13.210   6.992
  119    HE   ARG  14           HE       ARG  14   1.520  12.650   8.813
  120   1HH1  ARG  14          1HH1      ARG  14   2.487  15.851   7.769
  121   2HH1  ARG  14          2HH1      ARG  14   3.516  16.118   9.134
  122   1HH2  ARG  14          1HH2      ARG  14   2.876  13.010  10.610
  123   2HH2  ARG  14          2HH2      ARG  14   3.738  14.507  10.747
  124    H    SER  15           H        SER  15   1.823  13.361   2.055
  125    HA   SER  15           HA       SER  15   0.255  11.523   0.442
  126   1HB   SER  15          1HB       SER  15   0.768  13.214  -0.935
  127   2HB   SER  15          2HB       SER  15   2.260  13.625  -0.094
  128    HG   SER  15           HG       SER  15   1.810  11.835  -2.179
  129    H    ASP  16           H        ASP  16   3.595  11.833   1.623
  130    HA   ASP  16           HA       ASP  16   4.498   9.384   0.506
  131   1HB   ASP  16          1HB       ASP  16   5.796  11.486   1.527
  132   2HB   ASP  16          2HB       ASP  16   5.812  10.444   2.944
  133    H    HIS  17           H        HIS  17   3.022  10.263   3.572
  134    HA   HIS  17           HA       HIS  17   3.568   7.895   4.990
  135   1HB   HIS  17          1HB       HIS  17   1.464  10.020   5.220
  136   2HB   HIS  17          2HB       HIS  17   1.367   8.567   6.202
  137    HD1  HIS  17           HD1      HIS  17   1.626  10.500   8.127
  138    HD2  HIS  17           HD2      HIS  17   4.995   9.589   5.873
  139    HE1  HIS  17           HE1      HIS  17   3.573  11.391   9.438
  140    HE2  HIS  17           HE2      HIS  17   5.592  10.923   8.006
  141    H    LEU  18           H        LEU  18   0.606   8.851   3.206
  142    HA   LEU  18           HA       LEU  18  -0.743   6.417   3.489
  143   1HB   LEU  18          1HB       LEU  18  -1.764   8.509   2.678
  144   2HB   LEU  18          2HB       LEU  18  -0.880   8.361   1.185
  145    HG   LEU  18           HG       LEU  18  -2.743   6.183   2.055
  146   1HD1  LEU  18          1HD1      LEU  18  -4.566   7.394   1.753
  147   2HD1  LEU  18          2HD1      LEU  18  -3.989   7.936   0.179
  148   3HD1  LEU  18          3HD1      LEU  18  -3.551   8.832   1.635
  149   1HD2  LEU  18          1HD2      LEU  18  -2.955   6.347  -0.599
  150   2HD2  LEU  18          2HD2      LEU  18  -1.717   5.390   0.218
  151   3HD2  LEU  18          3HD2      LEU  18  -1.329   7.001  -0.398
  152    H    THR  19           H        THR  19   1.479   7.561   0.971
  153    HA   THR  19           HA       THR  19   1.281   5.324  -0.685
  154    HB   THR  19           HB       THR  19   3.594   7.238  -0.305
  155    HG1  THR  19           HG1      THR  19   1.392   7.189  -2.084
  156   1HG2  THR  19          1HG2      THR  19   4.179   6.603  -2.655
  157   2HG2  THR  19          2HG2      THR  19   3.099   5.220  -2.473
  158   3HG2  THR  19          3HG2      THR  19   4.515   5.376  -1.434
  159    H    LEU  20           H        LEU  20   3.191   5.936   2.207
  160    HA   LEU  20           HA       LEU  20   4.956   3.731   1.958
  161   1HB   LEU  20          1HB       LEU  20   5.169   5.703   3.543
  162   2HB   LEU  20          2HB       LEU  20   3.957   4.927   4.543
  163    HG   LEU  20           HG       LEU  20   6.235   3.199   3.856
  164   1HD1  LEU  20          1HD1      LEU  20   6.649   5.598   5.636
  165   2HD1  LEU  20          2HD1      LEU  20   7.407   5.332   4.065
  166   3HD1  LEU  20          3HD1      LEU  20   7.776   4.259   5.415
  167   1HD2  LEU  20          1HD2      LEU  20   4.920   3.948   6.466
  168   2HD2  LEU  20          2HD2      LEU  20   6.060   2.627   6.212
  169   3HD2  LEU  20          3HD2      LEU  20   4.473   2.579   5.445
  170    H    HIS  21           H        HIS  21   1.723   4.132   3.265
  171    HA   HIS  21           HA       HIS  21   1.412   1.673   4.557
  172   1HB   HIS  21          1HB       HIS  21  -0.610   2.550   4.994
  173   2HB   HIS  21          2HB       HIS  21  -0.149   3.944   4.057
  174    HD1  HIS  21           HD1      HIS  21  -2.159   4.535   2.691
  175    HD2  HIS  21           HD2      HIS  21  -1.443   0.464   2.695
  176    HE1  HIS  21           HE1      HIS  21  -3.907   3.491   1.197
  177    H    ILE  22           H        ILE  22   0.547   2.663   1.285
  178    HA   ILE  22           HA       ILE  22  -0.644   0.352   0.414
  179    HB   ILE  22           HB       ILE  22   1.031   2.039  -1.433
  180   1HG1  ILE  22          1HG1      ILE  22  -1.839   2.656  -0.973
  181   2HG1  ILE  22          2HG1      ILE  22  -0.719   3.194   0.258
  182   1HG2  ILE  22          1HG2      ILE  22  -0.314  -0.172  -2.032
  183   2HG2  ILE  22          2HG2      ILE  22  -0.266   1.209  -3.126
  184   3HG2  ILE  22          3HG2      ILE  22  -1.663   0.965  -2.072
  185   1HD1  ILE  22          1HD1      ILE  22   0.514   4.013  -2.015
  186   2HD1  ILE  22          2HD1      ILE  22  -0.539   5.004  -1.008
  187   3HD1  ILE  22          3HD1      ILE  22  -1.189   4.193  -2.431
  188    H    LEU  23           H        LEU  23   2.662   0.658   1.206
  189    HA   LEU  23           HA       LEU  23   3.893  -1.120  -0.546
  190   1HB   LEU  23          1HB       LEU  23   4.356  -0.451   2.346
  191   2HB   LEU  23          2HB       LEU  23   5.308  -1.695   1.559
  192    HG   LEU  23           HG       LEU  23   5.134   1.131   0.524
  193   1HD1  LEU  23          1HD1      LEU  23   7.326   1.486   1.565
  194   2HD1  LEU  23          2HD1      LEU  23   7.206  -0.093   2.342
  195   3HD1  LEU  23          3HD1      LEU  23   6.069   1.187   2.765
  196   1HD2  LEU  23          1HD2      LEU  23   7.029  -1.151  -0.022
  197   2HD2  LEU  23          2HD2      LEU  23   7.202   0.486  -0.654
  198   3HD2  LEU  23          3HD2      LEU  23   5.819  -0.501  -1.128
  199    H    LEU  24           H        LEU  24   1.734  -1.696   2.179
  200    HA   LEU  24           HA       LEU  24   2.180  -4.447   2.538
  201   1HB   LEU  24          1HB       LEU  24  -0.191  -4.477   3.424
  202   2HB   LEU  24          2HB       LEU  24   0.933  -3.391   4.214
  203    HG   LEU  24           HG       LEU  24  -0.201  -1.740   2.351
  204   1HD1  LEU  24          1HD1      LEU  24  -2.460  -3.412   3.412
  205   2HD1  LEU  24          2HD1      LEU  24  -1.806  -3.587   1.784
  206   3HD1  LEU  24          3HD1      LEU  24  -2.542  -2.062   2.279
  207   1HD2  LEU  24          1HD2      LEU  24  -1.196  -0.668   4.185
  208   2HD2  LEU  24          2HD2      LEU  24   0.219  -1.489   4.845
  209   3HD2  LEU  24          3HD2      LEU  24  -1.388  -2.181   5.071
  210    H    HIS  25           H        HIS  25  -0.035  -2.731   0.354
  211    HA   HIS  25           HA       HIS  25  -1.479  -4.881  -0.641
  212   1HB   HIS  25          1HB       HIS  25  -0.615  -2.300  -1.942
  213   2HB   HIS  25          2HB       HIS  25  -1.651  -3.463  -2.763
  214    HD1  HIS  25           HD1      HIS  25  -3.895  -4.104  -1.150
  215    HD2  HIS  25           HD2      HIS  25  -2.015  -0.435  -0.639
  216    HE1  HIS  25           HE1      HIS  25  -5.564  -2.605   0.017
  217    H    GLU  26           H        GLU  26   1.675  -3.636  -1.686
  218    HA   GLU  26           HA       GLU  26   1.994  -5.399  -3.881
  219   1HB   GLU  26          1HB       GLU  26   3.286  -3.241  -3.370
  220   2HB   GLU  26          2HB       GLU  26   4.259  -4.218  -2.278
  221   1HG   GLU  26          1HG       GLU  26   5.486  -4.171  -4.249
  222   2HG   GLU  26          2HG       GLU  26   4.673  -5.736  -4.290
  223    H    ASN  27           H        ASN  27   3.114  -5.531  -0.509
  224    HA   ASN  27           HA       ASN  27   3.196  -8.429  -0.649
  225   1HB   ASN  27          1HB       ASN  27   5.523  -8.380   0.459
  226   2HB   ASN  27          2HB       ASN  27   5.437  -8.119  -1.279
  227   1HD2  ASN  27          1HD2      ASN  27   5.904  -6.097  -2.118
  228   2HD2  ASN  27          2HD2      ASN  27   6.662  -4.858  -1.184
  229    H    LYS  28           H        LYS  28   2.224  -9.174   1.111
  230    HA   LYS  28           HA       LYS  28   2.436  -7.621   3.608
  231   1HB   LYS  28          1HB       LYS  28   0.094  -8.323   2.108
  232   2HB   LYS  28          2HB       LYS  28   0.042  -9.139   3.664
  233   1HG   LYS  28          1HG       LYS  28   0.811  -6.596   4.346
  234   2HG   LYS  28          2HG       LYS  28  -0.311  -6.326   3.013
  235   1HD   LYS  28          1HD       LYS  28  -1.651  -6.323   4.942
  236   2HD   LYS  28          2HD       LYS  28  -1.886  -7.920   4.229
  237   1HE   LYS  28          1HE       LYS  28  -1.600  -8.242   6.564
  238   2HE   LYS  28          2HE       LYS  28  -0.107  -8.767   5.788
  239   1HZ   LYS  28          1HZ       LYS  28   0.996  -6.821   6.477
  240   2HZ   LYS  28          2HZ       LYS  28   0.144  -7.356   7.837
  241   3HZ   LYS  28          3HZ       LYS  28  -0.443  -6.054   6.932
  242    H    LYS  29           H        LYS  29   1.144 -10.819   2.670
  243    HA   LYS  29           HA       LYS  29   1.247 -12.819   3.788
  244   1HB   LYS  29          1HB       LYS  29   3.706 -13.619   3.892
  245   2HB   LYS  29          2HB       LYS  29   3.007 -13.235   2.327
  246   1HG   LYS  29          1HG       LYS  29   4.091 -11.024   2.412
  247   2HG   LYS  29          2HG       LYS  29   4.835 -11.471   3.948
  248   1HD   LYS  29          1HD       LYS  29   5.198 -13.136   1.474
  249   2HD   LYS  29          2HD       LYS  29   6.230 -11.745   1.816
  250   1HE   LYS  29          1HE       LYS  29   7.500 -13.143   3.001
  251   2HE   LYS  29          2HE       LYS  29   6.210 -13.132   4.202
  252   1HZ   LYS  29          1HZ       LYS  29   6.839 -15.383   3.587
  253   2HZ   LYS  29          2HZ       LYS  29   6.464 -15.074   1.967
  254   3HZ   LYS  29          3HZ       LYS  29   5.240 -15.067   3.135
  Start of MODEL   43
    1    H    TYR   1           H        TYR   1  -6.837  15.007   5.808
    2    HA   TYR   1           HA       TYR   1  -5.700  12.442   4.909
    3   1HB   TYR   1          1HB       TYR   1  -8.430  13.180   6.000
    4   2HB   TYR   1          2HB       TYR   1  -7.945  11.582   5.448
    5    HD1  TYR   1           HD1      TYR   1  -8.299  13.657   8.261
    6    HD2  TYR   1           HD2      TYR   1  -5.816  10.597   6.663
    7    HE1  TYR   1           HE1      TYR   1  -7.504  13.127  10.526
    8    HE2  TYR   1           HE2      TYR   1  -5.017  10.055   8.923
    9    HH   TYR   1           HH       TYR   1  -6.337  10.596  11.523
   10    H    LYS   2           H        LYS   2  -5.306  14.111   3.018
   11    HA   LYS   2           HA       LYS   2  -7.704  14.477   1.390
   12   1HB   LYS   2          1HB       LYS   2  -4.880  15.501   1.148
   13   2HB   LYS   2          2HB       LYS   2  -6.071  15.710  -0.129
   14   1HG   LYS   2          1HG       LYS   2  -6.834  16.565   2.603
   15   2HG   LYS   2          2HG       LYS   2  -5.647  17.542   1.737
   16   1HD   LYS   2          1HD       LYS   2  -7.157  18.254   0.197
   17   2HD   LYS   2          2HD       LYS   2  -8.062  16.740   0.225
   18   1HE   LYS   2          1HE       LYS   2  -9.500  18.347   1.168
   19   2HE   LYS   2          2HE       LYS   2  -8.862  17.429   2.532
   20   1HZ   LYS   2          1HZ       LYS   2  -7.335  19.188   3.017
   21   2HZ   LYS   2          2HZ       LYS   2  -8.883  19.858   2.889
   22   3HZ   LYS   2          3HZ       LYS   2  -7.777  20.040   1.623
   23    H    PHE   3           H        PHE   3  -5.010  12.324   1.630
   24    HA   PHE   3           HA       PHE   3  -5.189  11.493  -1.145
   25   1HB   PHE   3          1HB       PHE   3  -3.324  11.011   1.103
   26   2HB   PHE   3          2HB       PHE   3  -3.528   9.686  -0.021
   27    HD1  PHE   3           HD1      PHE   3  -2.213   9.607  -1.909
   28    HD2  PHE   3           HD2      PHE   3  -2.888  13.354  -0.005
   29    HE1  PHE   3           HE1      PHE   3  -0.643  10.680  -3.471
   30    HE2  PHE   3           HE2      PHE   3  -1.322  14.433  -1.563
   31    HZ   PHE   3           HZ       PHE   3  -0.197  13.095  -3.301
   32    H    ALA   4           H        ALA   4  -5.841   9.476  -1.853
   33    HA   ALA   4           HA       ALA   4  -7.205   7.740   0.086
   34   1HB   ALA   4          1HB       ALA   4  -8.919   9.136  -0.943
   35   2HB   ALA   4          2HB       ALA   4  -9.088   7.456  -1.457
   36   3HB   ALA   4          3HB       ALA   4  -8.373   8.644  -2.546
   37    H    CYS   5           H        CYS   5  -6.827   5.616  -0.200
   38    HA   CYS   5           HA       CYS   5  -4.900   4.798  -2.150
   39   1HB   CYS   5          1HB       CYS   5  -5.148   3.897   0.220
   40   2HB   CYS   5          2HB       CYS   5  -6.516   2.973  -0.376
   41    HG   CYS   5           HG       CYS   5  -4.764   1.292  -0.797
   42    HA   PRO   6           HA       PRO   6  -7.780   3.576  -5.312
   43   1HB   PRO   6          1HB       PRO   6  -6.079   2.228  -6.911
   44   2HB   PRO   6          2HB       PRO   6  -6.035   3.988  -6.769
   45   1HG   PRO   6          1HG       PRO   6  -4.293   1.938  -5.460
   46   2HG   PRO   6          2HG       PRO   6  -3.840   3.485  -6.199
   47   1HD   PRO   6          1HD       PRO   6  -4.129   3.125  -3.506
   48   2HD   PRO   6          2HD       PRO   6  -4.393   4.682  -4.321
   49    H    GLU   7           H        GLU   7  -5.910   1.340  -3.406
   50    HA   GLU   7           HA       GLU   7  -7.400  -0.974  -4.367
   51   1HB   GLU   7          1HB       GLU   7  -4.897  -0.530  -2.838
   52   2HB   GLU   7          2HB       GLU   7  -5.807  -1.979  -2.451
   53   1HG   GLU   7          1HG       GLU   7  -5.612  -2.802  -4.663
   54   2HG   GLU   7          2HG       GLU   7  -4.998  -1.258  -5.252
   55    H    CYS   8           H        CYS   8  -6.849   0.870  -1.372
   56    HA   CYS   8           HA       CYS   8  -9.255  -0.405  -0.236
   57   1HB   CYS   8          1HB       CYS   8  -8.239  -0.497   1.914
   58   2HB   CYS   8          2HB       CYS   8  -7.086  -1.180   0.784
   59    HG   CYS   8           HG       CYS   8  -5.478   0.594   1.329
   60    HA   PRO   9           HA       PRO   9 -10.557   3.691   0.819
   61   1HB   PRO   9          1HB       PRO   9 -12.176   3.246   2.887
   62   2HB   PRO   9          2HB       PRO   9 -12.493   2.513   1.310
   63   1HG   PRO   9          1HG       PRO   9 -11.383   1.280   3.783
   64   2HG   PRO   9          2HG       PRO   9 -12.428   0.568   2.543
   65   1HD   PRO   9          1HD       PRO   9  -9.619   0.299   2.749
   66   2HD   PRO   9          2HD       PRO   9 -10.632  -0.198   1.385
   67    H    LYS  10           H        LYS  10  -7.891   3.373   1.889
   68    HA   LYS  10           HA       LYS  10  -8.057   4.387   4.614
   69   1HB   LYS  10          1HB       LYS  10  -5.608   3.765   2.950
   70   2HB   LYS  10          2HB       LYS  10  -5.609   4.231   4.626
   71   1HG   LYS  10          1HG       LYS  10  -7.256   1.886   3.959
   72   2HG   LYS  10          2HG       LYS  10  -5.508   1.693   3.804
   73   1HD   LYS  10          1HD       LYS  10  -6.258   3.063   6.256
   74   2HD   LYS  10          2HD       LYS  10  -6.984   1.460   6.133
   75   1HE   LYS  10          1HE       LYS  10  -4.063   1.927   5.606
   76   2HE   LYS  10          2HE       LYS  10  -4.680   1.638   7.233
   77   1HZ   LYS  10          1HZ       LYS  10  -4.901  -0.192   4.902
   78   2HZ   LYS  10          2HZ       LYS  10  -5.632  -0.465   6.404
   79   3HZ   LYS  10          3HZ       LYS  10  -3.946  -0.420   6.281
   80    H    ARG  11           H        ARG  11  -6.962   6.309   5.259
   81    HA   ARG  11           HA       ARG  11  -6.379   8.290   3.198
   82   1HB   ARG  11          1HB       ARG  11  -7.804   9.986   4.374
   83   2HB   ARG  11          2HB       ARG  11  -8.707   8.718   3.559
   84   1HG   ARG  11          1HG       ARG  11  -8.764   7.560   5.850
   85   2HG   ARG  11          2HG       ARG  11  -8.282   9.131   6.495
   86   1HD   ARG  11          1HD       ARG  11 -10.703   8.865   6.569
   87   2HD   ARG  11          2HD       ARG  11 -10.245  10.158   5.463
   88    HE   ARG  11           HE       ARG  11 -11.138   8.954   3.734
   89   1HH1  ARG  11          1HH1      ARG  11 -10.764   6.821   6.490
   90   2HH1  ARG  11          2HH1      ARG  11 -11.622   5.514   5.747
   91   1HH2  ARG  11          1HH2      ARG  11 -12.266   7.228   2.767
   92   2HH2  ARG  11          2HH2      ARG  11 -12.473   5.743   3.636
   93    H    PHE  12           H        PHE  12  -4.701   9.572   3.746
   94    HA   PHE  12           HA       PHE  12  -3.888   9.640   6.575
   95   1HB   PHE  12          1HB       PHE  12  -2.000   9.356   4.267
   96   2HB   PHE  12          2HB       PHE  12  -1.576   9.315   5.959
   97    HD1  PHE  12           HD1      PHE  12  -4.040   7.572   3.774
   98    HD2  PHE  12           HD2      PHE  12  -0.989   7.200   6.709
   99    HE1  PHE  12           HE1      PHE  12  -4.329   5.149   3.742
  100    HE2  PHE  12           HE2      PHE  12  -1.276   4.750   6.682
  101    HZ   PHE  12           HZ       PHE  12  -2.956   3.725   5.183
  102    H    MET  13           H        MET  13  -2.879  11.497   7.302
  103    HA   MET  13           HA       MET  13  -3.633  13.920   6.082
  104   1HB   MET  13          1HB       MET  13  -1.635  13.346   8.273
  105   2HB   MET  13          2HB       MET  13  -2.103  14.970   7.785
  106   1HG   MET  13          1HG       MET  13  -4.503  14.203   8.265
  107   2HG   MET  13          2HG       MET  13  -3.751  12.865   9.128
  108   1HE   MET  13          1HE       MET  13  -2.072  13.027  10.720
  109   2HE   MET  13          2HE       MET  13  -2.968  13.566  12.139
  110   3HE   MET  13          3HE       MET  13  -1.529  14.445  11.619
  111    H    ARG  14           H        ARG  14  -0.668  12.040   5.942
  112    HA   ARG  14           HA       ARG  14   0.617  14.119   4.320
  113   1HB   ARG  14          1HB       ARG  14   1.632  11.722   5.806
  114   2HB   ARG  14          2HB       ARG  14   2.589  12.419   4.512
  115   1HG   ARG  14          1HG       ARG  14   3.387  13.378   6.505
  116   2HG   ARG  14          2HG       ARG  14   2.411  14.623   5.725
  117   1HD   ARG  14          1HD       ARG  14   1.229  14.810   7.596
  118   2HD   ARG  14          2HD       ARG  14   0.656  13.156   7.360
  119    HE   ARG  14           HE       ARG  14   2.025  12.484   9.056
  120   1HH1  ARG  14          1HH1      ARG  14   3.097  15.641   7.980
  121   2HH1  ARG  14          2HH1      ARG  14   4.256  15.816   9.254
  122   1HH2  ARG  14          1HH2      ARG  14   3.556  12.722  10.730
  123   2HH2  ARG  14          2HH2      ARG  14   4.517  14.160  10.813
  124    H    SER  15           H        SER  15   1.815  13.415   2.388
  125    HA   SER  15           HA       SER  15   0.140  11.694   0.761
  126   1HB   SER  15          1HB       SER  15   0.609  13.481  -0.514
  127   2HB   SER  15          2HB       SER  15   2.172  13.779   0.239
  128    HG   SER  15           HG       SER  15   2.470  13.053  -1.876
  129    H    ASP  16           H        ASP  16   3.546  11.887   1.760
  130    HA   ASP  16           HA       ASP  16   4.331   9.489   0.448
  131   1HB   ASP  16          1HB       ASP  16   5.741  11.515   1.444
  132   2HB   ASP  16          2HB       ASP  16   5.825  10.439   2.832
  133    H    HIS  17           H        HIS  17   2.997  10.216   3.600
  134    HA   HIS  17           HA       HIS  17   3.652   7.789   4.885
  135   1HB   HIS  17          1HB       HIS  17   1.585   9.911   5.351
  136   2HB   HIS  17          2HB       HIS  17   1.536   8.412   6.268
  137    HD1  HIS  17           HD1      HIS  17   1.936  10.256   8.255
  138    HD2  HIS  17           HD2      HIS  17   5.149   9.419   5.757
  139    HE1  HIS  17           HE1      HIS  17   3.971  11.058   9.486
  140    HE2  HIS  17           HE2      HIS  17   5.892  10.637   7.914
  141    H    LEU  18           H        LEU  18   0.604   8.834   3.308
  142    HA   LEU  18           HA       LEU  18  -0.764   6.412   3.583
  143   1HB   LEU  18          1HB       LEU  18  -1.800   8.534   2.890
  144   2HB   LEU  18          2HB       LEU  18  -0.986   8.434   1.355
  145    HG   LEU  18           HG       LEU  18  -2.819   6.229   2.215
  146   1HD1  LEU  18          1HD1      LEU  18  -4.198   8.038   0.516
  147   2HD1  LEU  18          2HD1      LEU  18  -3.629   8.916   1.937
  148   3HD1  LEU  18          3HD1      LEU  18  -4.636   7.481   2.129
  149   1HD2  LEU  18          1HD2      LEU  18  -3.168   6.594  -0.427
  150   2HD2  LEU  18          2HD2      LEU  18  -1.958   5.518   0.278
  151   3HD2  LEU  18          3HD2      LEU  18  -1.502   7.146  -0.243
  152    H    THR  19           H        THR  19   1.366   7.585   1.003
  153    HA   THR  19           HA       THR  19   1.035   5.374  -0.687
  154    HB   THR  19           HB       THR  19   3.418   7.228  -0.447
  155    HG1  THR  19           HG1      THR  19   1.959   8.584  -1.130
  156   1HG2  THR  19          1HG2      THR  19   4.101   5.376  -1.764
  157   2HG2  THR  19          2HG2      THR  19   3.737   6.708  -2.862
  158   3HG2  THR  19          3HG2      THR  19   2.588   5.384  -2.669
  159    H    LEU  20           H        LEU  20   3.141   5.971   2.074
  160    HA   LEU  20           HA       LEU  20   4.890   3.775   1.704
  161   1HB   LEU  20          1HB       LEU  20   5.114   5.758   3.323
  162   2HB   LEU  20          2HB       LEU  20   4.048   4.857   4.385
  163    HG   LEU  20           HG       LEU  20   5.787   2.948   4.139
  164   1HD1  LEU  20          1HD1      LEU  20   7.508   5.315   3.415
  165   2HD1  LEU  20          2HD1      LEU  20   7.031   4.030   2.303
  166   3HD1  LEU  20          3HD1      LEU  20   8.047   3.658   3.695
  167   1HD2  LEU  20          1HD2      LEU  20   6.469   5.450   5.682
  168   2HD2  LEU  20          2HD2      LEU  20   7.051   3.820   6.021
  169   3HD2  LEU  20          3HD2      LEU  20   5.339   4.198   6.203
  170    H    HIS  21           H        HIS  21   1.696   4.126   3.071
  171    HA   HIS  21           HA       HIS  21   1.464   1.659   4.395
  172   1HB   HIS  21          1HB       HIS  21  -0.513   2.564   4.939
  173   2HB   HIS  21          2HB       HIS  21  -0.134   3.934   3.932
  174    HD1  HIS  21           HD1      HIS  21  -2.260   4.448   2.720
  175    HD2  HIS  21           HD2      HIS  21  -1.432   0.392   2.741
  176    HE1  HIS  21           HE1      HIS  21  -4.089   3.332   1.389
  177    H    ILE  22           H        ILE  22   0.564   2.685   1.150
  178    HA   ILE  22           HA       ILE  22  -0.621   0.294   0.338
  179    HB   ILE  22           HB       ILE  22   0.748   2.137  -1.605
  180   1HG1  ILE  22          1HG1      ILE  22  -2.074   2.639  -0.862
  181   2HG1  ILE  22          2HG1      ILE  22  -0.884   3.139   0.316
  182   1HG2  ILE  22          1HG2      ILE  22  -0.618   1.233  -3.174
  183   2HG2  ILE  22          2HG2      ILE  22  -1.954   1.025  -2.038
  184   3HG2  ILE  22          3HG2      ILE  22  -0.622  -0.132  -2.058
  185   1HD1  ILE  22          1HD1      ILE  22   0.123   4.097  -2.047
  186   2HD1  ILE  22          2HD1      ILE  22  -0.771   5.015  -0.838
  187   3HD1  ILE  22          3HD1      ILE  22  -1.619   4.319  -2.215
  188    H    LEU  23           H        LEU  23   2.606   0.648   1.102
  189    HA   LEU  23           HA       LEU  23   3.825  -0.911  -0.930
  190   1HB   LEU  23          1HB       LEU  23   4.569   0.031   1.782
  191   2HB   LEU  23          2HB       LEU  23   5.419  -1.381   1.188
  192    HG   LEU  23           HG       LEU  23   5.269   0.953  -0.639
  193   1HD1  LEU  23          1HD1      LEU  23   6.976   0.897   1.842
  194   2HD1  LEU  23          2HD1      LEU  23   5.754   2.093   1.415
  195   3HD1  LEU  23          3HD1      LEU  23   7.238   1.975   0.472
  196   1HD2  LEU  23          1HD2      LEU  23   7.505  -0.930   0.104
  197   2HD2  LEU  23          2HD2      LEU  23   7.488   0.212  -1.240
  198   3HD2  LEU  23          3HD2      LEU  23   6.388  -1.166  -1.240
  199    H    LEU  24           H        LEU  24   2.156  -1.694   2.093
  200    HA   LEU  24           HA       LEU  24   2.895  -4.449   2.108
  201   1HB   LEU  24          1HB       LEU  24   0.710  -4.588   3.583
  202   2HB   LEU  24          2HB       LEU  24   2.224  -3.968   4.198
  203    HG   LEU  24           HG       LEU  24   1.347  -1.652   3.676
  204   1HD1  LEU  24          1HD1      LEU  24  -1.166  -1.510   3.637
  205   2HD1  LEU  24          2HD1      LEU  24  -1.184  -3.237   3.274
  206   3HD1  LEU  24          3HD1      LEU  24  -0.428  -2.107   2.151
  207   1HD2  LEU  24          1HD2      LEU  24   1.312  -3.055   5.888
  208   2HD2  LEU  24          2HD2      LEU  24  -0.433  -2.955   5.655
  209   3HD2  LEU  24          3HD2      LEU  24   0.524  -1.480   5.790
  210    H    HIS  25           H        HIS  25   0.418  -2.671   0.445
  211    HA   HIS  25           HA       HIS  25  -1.506  -4.605  -0.018
  212   1HB   HIS  25          1HB       HIS  25  -0.592  -2.180  -1.457
  213   2HB   HIS  25          2HB       HIS  25  -1.549  -3.322  -2.388
  214    HD1  HIS  25           HD1      HIS  25  -3.850  -4.084  -0.794
  215    HD2  HIS  25           HD2      HIS  25  -2.152  -0.314  -0.387
  216    HE1  HIS  25           HE1      HIS  25  -5.634  -2.605   0.226
  217    H    GLU  26           H        GLU  26   1.533  -4.057  -1.773
  218    HA   GLU  26           HA       GLU  26   1.004  -6.235  -3.599
  219   1HB   GLU  26          1HB       GLU  26   3.579  -4.695  -3.239
  220   2HB   GLU  26          2HB       GLU  26   3.115  -5.677  -4.620
  221   1HG   GLU  26          1HG       GLU  26   2.057  -3.002  -3.784
  222   2HG   GLU  26          2HG       GLU  26   2.804  -3.468  -5.310
  223    H    ASN  27           H        ASN  27   3.464  -5.586  -1.078
  224    HA   ASN  27           HA       ASN  27   3.487  -8.425  -0.427
  225   1HB   ASN  27          1HB       ASN  27   5.346  -7.628  -2.205
  226   2HB   ASN  27          2HB       ASN  27   6.194  -7.243  -0.711
  227   1HD2  ASN  27          1HD2      ASN  27   6.822  -8.896   0.665
  228   2HD2  ASN  27          2HD2      ASN  27   6.815 -10.555   0.181
  229    H    LYS  28           H        LYS  28   4.373  -8.909   1.626
  230    HA   LYS  28           HA       LYS  28   3.907  -6.965   3.612
  231   1HB   LYS  28          1HB       LYS  28   4.882  -9.751   3.529
  232   2HB   LYS  28          2HB       LYS  28   5.416  -8.816   4.919
  233   1HG   LYS  28          1HG       LYS  28   2.891  -8.186   5.109
  234   2HG   LYS  28          2HG       LYS  28   2.662  -9.644   4.138
  235   1HD   LYS  28          1HD       LYS  28   4.334  -9.651   6.634
  236   2HD   LYS  28          2HD       LYS  28   2.585  -9.883   6.688
  237   1HE   LYS  28          1HE       LYS  28   2.763 -11.823   5.254
  238   2HE   LYS  28          2HE       LYS  28   4.494 -11.557   5.057
  239   1HZ   LYS  28          1HZ       LYS  28   3.116 -12.236   7.600
  240   2HZ   LYS  28          2HZ       LYS  28   4.774 -11.948   7.435
  241   3HZ   LYS  28          3HZ       LYS  28   4.069 -13.284   6.675
  242    H    LYS  29           H        LYS  29   5.415  -6.089   5.169
  243    HA   LYS  29           HA       LYS  29   7.672  -4.882   3.942
  244   1HB   LYS  29          1HB       LYS  29   6.280  -3.880   5.783
  245   2HB   LYS  29          2HB       LYS  29   7.057  -4.998   6.896
  246   1HG   LYS  29          1HG       LYS  29   9.253  -4.009   6.220
  247   2HG   LYS  29          2HG       LYS  29   8.351  -2.787   5.322
  248   1HD   LYS  29          1HD       LYS  29   7.403  -1.894   7.279
  249   2HD   LYS  29          2HD       LYS  29   7.844  -3.309   8.237
  250   1HE   LYS  29          1HE       LYS  29  10.231  -2.715   7.913
  251   2HE   LYS  29          2HE       LYS  29   9.718  -1.245   7.086
  252   1HZ   LYS  29          1HZ       LYS  29  10.236  -0.818   9.404
  253   2HZ   LYS  29          2HZ       LYS  29   9.088  -1.955   9.902
  254   3HZ   LYS  29          3HZ       LYS  29   8.592  -0.546   9.110
  Start of MODEL   44
    1    H    TYR   1           H        TYR   1  -5.762  13.174   5.670
    2    HA   TYR   1           HA       TYR   1  -7.017  11.400   5.039
    3   1HB   TYR   1          1HB       TYR   1  -9.430  11.287   5.315
    4   2HB   TYR   1          2HB       TYR   1  -8.684  11.703   6.852
    5    HD1  TYR   1           HD1      TYR   1 -11.089  12.657   4.370
    6    HD2  TYR   1           HD2      TYR   1  -8.727  14.144   7.583
    7    HE1  TYR   1           HE1      TYR   1 -12.569  14.611   4.548
    8    HE2  TYR   1           HE2      TYR   1 -10.201  16.101   7.768
    9    HH   TYR   1           HH       TYR   1 -12.011  17.249   5.655
   10    H    LYS   2           H        LYS   2  -6.073  13.883   3.762
   11    HA   LYS   2           HA       LYS   2  -7.991  14.707   1.819
   12   1HB   LYS   2          1HB       LYS   2  -5.910  15.976   2.654
   13   2HB   LYS   2          2HB       LYS   2  -5.012  14.990   1.509
   14   1HG   LYS   2          1HG       LYS   2  -7.380  16.316   0.395
   15   2HG   LYS   2          2HG       LYS   2  -6.104  17.403   0.948
   16   1HD   LYS   2          1HD       LYS   2  -4.556  16.562  -0.563
   17   2HD   LYS   2          2HD       LYS   2  -5.430  15.043  -0.765
   18   1HE   LYS   2          1HE       LYS   2  -6.771  17.563  -1.601
   19   2HE   LYS   2          2HE       LYS   2  -5.474  16.934  -2.615
   20   1HZ   LYS   2          1HZ       LYS   2  -7.675  16.135  -3.288
   21   2HZ   LYS   2          2HZ       LYS   2  -7.874  15.393  -1.781
   22   3HZ   LYS   2          3HZ       LYS   2  -6.658  14.862  -2.830
   23    H    PHE   3           H        PHE   3  -5.252  12.441   1.769
   24    HA   PHE   3           HA       PHE   3  -5.823  11.704  -0.982
   25   1HB   PHE   3          1HB       PHE   3  -3.610  11.254   0.941
   26   2HB   PHE   3          2HB       PHE   3  -3.886   9.999  -0.250
   27    HD1  PHE   3           HD1      PHE   3  -3.465  10.384  -2.594
   28    HD2  PHE   3           HD2      PHE   3  -2.892  13.475   0.276
   29    HE1  PHE   3           HE1      PHE   3  -2.211  11.694  -4.258
   30    HE2  PHE   3           HE2      PHE   3  -1.639  14.789  -1.383
   31    HZ   PHE   3           HZ       PHE   3  -1.297  13.899  -3.654
   32    H    ALA   4           H        ALA   4  -5.769   9.288  -1.480
   33    HA   ALA   4           HA       ALA   4  -6.881   7.539   0.533
   34   1HB   ALA   4          1HB       ALA   4  -8.882   8.729  -0.175
   35   2HB   ALA   4          2HB       ALA   4  -8.942   7.046  -0.699
   36   3HB   ALA   4          3HB       ALA   4  -8.549   8.317  -1.857
   37    H    CYS   5           H        CYS   5  -6.849   5.335  -0.065
   38    HA   CYS   5           HA       CYS   5  -4.906   4.705  -2.100
   39   1HB   CYS   5          1HB       CYS   5  -5.172   3.561   0.193
   40   2HB   CYS   5          2HB       CYS   5  -6.503   2.685  -0.543
   41    HG   CYS   5           HG       CYS   5  -3.914   1.614  -0.659
   42    HA   PRO   6           HA       PRO   6  -7.835   3.847  -5.329
   43   1HB   PRO   6          1HB       PRO   6  -6.226   2.458  -7.000
   44   2HB   PRO   6          2HB       PRO   6  -6.082   4.206  -6.778
   45   1HG   PRO   6          1HG       PRO   6  -4.459   2.002  -5.567
   46   2HG   PRO   6          2HG       PRO   6  -3.918   3.550  -6.239
   47   1HD   PRO   6          1HD       PRO   6  -4.206   3.110  -3.571
   48   2HD   PRO   6          2HD       PRO   6  -4.425   4.706  -4.319
   49    H    GLU   7           H        GLU   7  -6.221   1.383  -3.493
   50    HA   GLU   7           HA       GLU   7  -7.950  -0.709  -4.604
   51   1HB   GLU   7          1HB       GLU   7  -5.490  -1.113  -4.489
   52   2HB   GLU   7          2HB       GLU   7  -5.589  -1.000  -2.738
   53   1HG   GLU   7          1HG       GLU   7  -7.527  -2.880  -3.642
   54   2HG   GLU   7          2HG       GLU   7  -5.973  -3.263  -4.380
   55    H    CYS   8           H        CYS   8  -6.860   0.578  -1.448
   56    HA   CYS   8           HA       CYS   8  -9.268  -0.605  -0.232
   57   1HB   CYS   8          1HB       CYS   8  -8.119  -0.585   1.876
   58   2HB   CYS   8          2HB       CYS   8  -7.064  -1.324   0.683
   59    HG   CYS   8           HG       CYS   8  -6.587   1.641   1.427
   60    HA   PRO   9           HA       PRO   9 -10.702   3.427   0.863
   61   1HB   PRO   9          1HB       PRO   9 -12.234   2.907   2.981
   62   2HB   PRO   9          2HB       PRO   9 -12.571   2.171   1.411
   63   1HG   PRO   9          1HG       PRO   9 -11.335   0.972   3.838
   64   2HG   PRO   9          2HG       PRO   9 -12.390   0.225   2.627
   65   1HD   PRO   9          1HD       PRO   9  -9.568   0.067   2.746
   66   2HD   PRO   9          2HD       PRO   9 -10.604  -0.462   1.408
   67    H    LYS  10           H        LYS  10  -8.008   3.288   1.795
   68    HA   LYS  10           HA       LYS  10  -8.083   4.238   4.550
   69   1HB   LYS  10          1HB       LYS  10  -5.732   3.764   2.705
   70   2HB   LYS  10          2HB       LYS  10  -5.610   4.302   4.356
   71   1HG   LYS  10          1HG       LYS  10  -6.992   1.743   3.659
   72   2HG   LYS  10          2HG       LYS  10  -5.245   1.828   3.889
   73   1HD   LYS  10          1HD       LYS  10  -7.157   2.878   5.954
   74   2HD   LYS  10          2HD       LYS  10  -6.694   1.176   5.904
   75   1HE   LYS  10          1HE       LYS  10  -4.925   1.731   7.136
   76   2HE   LYS  10          2HE       LYS  10  -4.288   2.542   5.706
   77   1HZ   LYS  10          1HZ       LYS  10  -5.896   3.767   7.880
   78   2HZ   LYS  10          2HZ       LYS  10  -5.477   4.567   6.450
   79   3HZ   LYS  10          3HZ       LYS  10  -4.269   4.065   7.523
   80    H    ARG  11           H        ARG  11  -6.968   6.232   5.130
   81    HA   ARG  11           HA       ARG  11  -6.728   8.262   3.059
   82   1HB   ARG  11          1HB       ARG  11  -8.169   9.831   4.506
   83   2HB   ARG  11          2HB       ARG  11  -8.993   8.653   3.497
   84   1HG   ARG  11          1HG       ARG  11 -10.158   8.311   5.399
   85   2HG   ARG  11          2HG       ARG  11  -8.818   7.216   5.741
   86   1HD   ARG  11          1HD       ARG  11  -7.988   9.763   6.586
   87   2HD   ARG  11          2HD       ARG  11  -9.648   9.579   7.148
   88    HE   ARG  11           HE       ARG  11  -8.610   7.271   7.938
   89   1HH1  ARG  11          1HH1      ARG  11  -7.300  10.511   8.209
   90   2HH1  ARG  11          2HH1      ARG  11  -6.414  10.161   9.655
   91   1HH2  ARG  11          1HH2      ARG  11  -7.438   6.820   9.840
   92   2HH2  ARG  11          2HH2      ARG  11  -6.492   8.067  10.580
   93    H    PHE  12           H        PHE  12  -5.108   9.666   3.493
   94    HA   PHE  12           HA       PHE  12  -4.173   9.892   6.271
   95   1HB   PHE  12          1HB       PHE  12  -2.293   9.530   3.969
   96   2HB   PHE  12          2HB       PHE  12  -1.893   9.523   5.671
   97    HD1  PHE  12           HD1      PHE  12  -4.224   7.693   3.396
   98    HD2  PHE  12           HD2      PHE  12  -1.358   7.455   6.531
   99    HE1  PHE  12           HE1      PHE  12  -4.439   5.260   3.395
  100    HE2  PHE  12           HE2      PHE  12  -1.575   5.002   6.536
  101    HZ   PHE  12           HZ       PHE  12  -3.118   3.903   4.952
  102    H    MET  13           H        MET  13  -2.945  11.754   6.760
  103    HA   MET  13           HA       MET  13  -3.714  14.075   5.223
  104   1HB   MET  13          1HB       MET  13  -2.241  13.671   7.817
  105   2HB   MET  13          2HB       MET  13  -2.334  15.254   7.058
  106   1HG   MET  13          1HG       MET  13  -4.807  13.666   7.618
  107   2HG   MET  13          2HG       MET  13  -4.044  14.641   8.873
  108   1HE   MET  13          1HE       MET  13  -3.544  17.074   8.699
  109   2HE   MET  13          2HE       MET  13  -5.207  17.064   9.288
  110   3HE   MET  13          3HE       MET  13  -4.724  18.197   8.025
  111    H    ARG  14           H        ARG  14  -0.911  12.056   5.580
  112    HA   ARG  14           HA       ARG  14   0.792  13.988   4.180
  113   1HB   ARG  14          1HB       ARG  14   1.467  11.362   5.523
  114   2HB   ARG  14          2HB       ARG  14   2.632  12.412   4.729
  115   1HG   ARG  14          1HG       ARG  14   2.941  13.162   6.828
  116   2HG   ARG  14          2HG       ARG  14   1.551  14.174   6.431
  117   1HD   ARG  14          1HD       ARG  14   0.538  13.302   8.215
  118   2HD   ARG  14          2HD       ARG  14   0.435  11.788   7.312
  119    HE   ARG  14           HE       ARG  14   2.078  10.913   8.644
  120   1HH1  ARG  14          1HH1      ARG  14   1.981  14.380   9.127
  121   2HH1  ARG  14          2HH1      ARG  14   3.070  14.346  10.472
  122   1HH2  ARG  14          1HH2      ARG  14   3.512  10.877  10.418
  123   2HH2  ARG  14          2HH2      ARG  14   3.939  12.359  11.204
  124    H    SER  15           H        SER  15   2.044  13.297   2.337
  125    HA   SER  15           HA       SER  15   0.524  11.494   0.620
  126   1HB   SER  15          1HB       SER  15   1.132  12.780  -1.079
  127   2HB   SER  15          2HB       SER  15   1.661  13.936   0.138
  128    HG   SER  15           HG       SER  15   3.143  12.384  -1.582
  129    H    ASP  16           H        ASP  16   3.848  11.925   1.805
  130    HA   ASP  16           HA       ASP  16   4.901   9.656   0.484
  131   1HB   ASP  16          1HB       ASP  16   5.931  11.120   2.885
  132   2HB   ASP  16          2HB       ASP  16   6.849   9.985   1.918
  133    H    HIS  17           H        HIS  17   3.932  10.212   3.868
  134    HA   HIS  17           HA       HIS  17   4.478   7.616   4.794
  135   1HB   HIS  17          1HB       HIS  17   2.769   9.871   5.753
  136   2HB   HIS  17          2HB       HIS  17   2.543   8.284   6.476
  137    HD1  HIS  17           HD1      HIS  17   3.423   9.268   8.724
  138    HD2  HIS  17           HD2      HIS  17   6.190   9.272   5.626
  139    HE1  HIS  17           HE1      HIS  17   5.637   9.722   9.803
  140    HE2  HIS  17           HE2      HIS  17   7.316   9.610   7.929
  141    H    LEU  18           H        LEU  18   1.561   9.023   3.352
  142    HA   LEU  18           HA       LEU  18  -0.180   6.873   3.746
  143   1HB   LEU  18          1HB       LEU  18  -0.844   9.107   2.965
  144   2HB   LEU  18          2HB       LEU  18  -0.075   8.801   1.430
  145    HG   LEU  18           HG       LEU  18  -2.256   7.007   2.412
  146   1HD1  LEU  18          1HD1      LEU  18  -3.350   9.049   2.587
  147   2HD1  LEU  18          2HD1      LEU  18  -3.743   8.505   0.958
  148   3HD1  LEU  18          3HD1      LEU  18  -2.494   9.729   1.207
  149   1HD2  LEU  18          1HD2      LEU  18  -0.728   7.376  -0.028
  150   2HD2  LEU  18          2HD2      LEU  18  -2.470   7.370  -0.303
  151   3HD2  LEU  18          3HD2      LEU  18  -1.699   6.005   0.510
  152    H    THR  19           H        THR  19   2.005   7.608   1.031
  153    HA   THR  19           HA       THR  19   1.312   5.395  -0.525
  154    HB   THR  19           HB       THR  19   3.969   6.846  -0.420
  155    HG1  THR  19           HG1      THR  19   1.602   7.312  -1.902
  156   1HG2  THR  19          1HG2      THR  19   4.118   6.179  -2.824
  157   2HG2  THR  19          2HG2      THR  19   2.790   5.057  -2.525
  158   3HG2  THR  19          3HG2      THR  19   4.318   4.863  -1.667
  159    H    LEU  20           H        LEU  20   3.507   5.747   2.193
  160    HA   LEU  20           HA       LEU  20   4.958   3.354   1.916
  161   1HB   LEU  20          1HB       LEU  20   5.399   5.269   3.525
  162   2HB   LEU  20          2HB       LEU  20   4.125   4.610   4.531
  163    HG   LEU  20           HG       LEU  20   5.455   2.459   4.621
  164   1HD1  LEU  20          1HD1      LEU  20   7.587   4.235   3.443
  165   2HD1  LEU  20          2HD1      LEU  20   6.864   2.817   2.681
  166   3HD1  LEU  20          3HD1      LEU  20   7.852   2.632   4.129
  167   1HD2  LEU  20          1HD2      LEU  20   6.718   4.950   5.759
  168   2HD2  LEU  20          2HD2      LEU  20   6.985   3.303   6.330
  169   3HD2  LEU  20          3HD2      LEU  20   5.390   4.040   6.476
  170    H    HIS  21           H        HIS  21   1.790   4.071   3.263
  171    HA   HIS  21           HA       HIS  21   1.242   1.638   4.524
  172   1HB   HIS  21          1HB       HIS  21  -0.688   2.691   4.983
  173   2HB   HIS  21          2HB       HIS  21  -0.097   4.055   4.078
  174    HD1  HIS  21           HD1      HIS  21  -1.922   4.875   2.597
  175    HD2  HIS  21           HD2      HIS  21  -1.843   0.742   2.800
  176    HE1  HIS  21           HE1      HIS  21  -3.815   4.045   1.147
  177    H    ILE  22           H        ILE  22   0.483   2.776   1.280
  178    HA   ILE  22           HA       ILE  22  -0.890   0.555   0.343
  179    HB   ILE  22           HB       ILE  22   0.794   2.331  -1.416
  180   1HG1  ILE  22          1HG1      ILE  22  -2.049   2.986  -0.856
  181   2HG1  ILE  22          2HG1      ILE  22  -0.895   3.383   0.396
  182   1HG2  ILE  22          1HG2      ILE  22  -0.606   1.733  -3.147
  183   2HG2  ILE  22          2HG2      ILE  22  -1.924   1.286  -2.064
  184   3HG2  ILE  22          3HG2      ILE  22  -0.522   0.227  -2.233
  185   1HD1  ILE  22          1HD1      ILE  22  -1.454   4.702  -2.093
  186   2HD1  ILE  22          2HD1      ILE  22   0.261   4.326  -1.928
  187   3HD1  ILE  22          3HD1      ILE  22  -0.560   5.268  -0.684
  188    H    LEU  23           H        LEU  23   2.518   0.887   0.840
  189    HA   LEU  23           HA       LEU  23   3.466  -0.959  -1.057
  190   1HB   LEU  23          1HB       LEU  23   4.499   0.397   1.289
  191   2HB   LEU  23          2HB       LEU  23   5.111  -1.241   1.175
  192    HG   LEU  23           HG       LEU  23   5.246   0.628  -1.173
  193   1HD1  LEU  23          1HD1      LEU  23   7.508   1.235  -0.483
  194   2HD1  LEU  23          2HD1      LEU  23   7.289   0.351   1.027
  195   3HD1  LEU  23          3HD1      LEU  23   6.311   1.780   0.692
  196   1HD2  LEU  23          1HD2      LEU  23   6.887  -1.765  -0.345
  197   2HD2  LEU  23          2HD2      LEU  23   7.104  -0.817  -1.816
  198   3HD2  LEU  23          3HD2      LEU  23   5.628  -1.751  -1.580
  199    H    LEU  24           H        LEU  24   1.734  -1.424   1.927
  200    HA   LEU  24           HA       LEU  24   2.533  -4.100   2.423
  201   1HB   LEU  24          1HB       LEU  24   1.103  -4.054   4.195
  202   2HB   LEU  24          2HB       LEU  24   1.370  -2.344   3.960
  203    HG   LEU  24           HG       LEU  24  -0.899  -2.456   4.351
  204   1HD1  LEU  24          1HD1      LEU  24  -0.138  -1.836   1.728
  205   2HD1  LEU  24          2HD1      LEU  24  -1.568  -1.292   2.601
  206   3HD1  LEU  24          3HD1      LEU  24  -1.639  -2.748   1.610
  207   1HD2  LEU  24          1HD2      LEU  24  -0.712  -5.095   3.893
  208   2HD2  LEU  24          2HD2      LEU  24  -1.613  -4.597   2.461
  209   3HD2  LEU  24          3HD2      LEU  24  -2.243  -4.237   4.069
  210    H    HIS  25           H        HIS  25   0.409  -2.761   0.083
  211    HA   HIS  25           HA       HIS  25  -1.313  -5.031  -0.201
  212   1HB   HIS  25          1HB       HIS  25  -0.757  -2.691  -2.038
  213   2HB   HIS  25          2HB       HIS  25  -1.979  -3.921  -2.349
  214    HD1  HIS  25           HD1      HIS  25  -3.519  -4.150   0.179
  215    HD2  HIS  25           HD2      HIS  25  -2.015  -0.513  -1.147
  216    HE1  HIS  25           HE1      HIS  25  -4.895  -2.354   1.310
  217    H    GLU  26           H        GLU  26   1.736  -4.001  -1.611
  218    HA   GLU  26           HA       GLU  26   1.868  -5.672  -3.833
  219   1HB   GLU  26          1HB       GLU  26   3.576  -3.886  -2.586
  220   2HB   GLU  26          2HB       GLU  26   4.418  -5.420  -2.424
  221   1HG   GLU  26          1HG       GLU  26   4.143  -5.742  -4.883
  222   2HG   GLU  26          2HG       GLU  26   3.505  -4.101  -4.966
  223    H    ASN  27           H        ASN  27   3.002  -6.302  -0.508
  224    HA   ASN  27           HA       ASN  27   3.253  -9.150  -1.183
  225   1HB   ASN  27          1HB       ASN  27   5.214  -7.931  -0.157
  226   2HB   ASN  27          2HB       ASN  27   4.255  -7.761   1.309
  227   1HD2  ASN  27          1HD2      ASN  27   5.685 -10.101  -0.900
  228   2HD2  ASN  27          2HD2      ASN  27   5.822 -11.378   0.255
  229    H    LYS  28           H        LYS  28   1.335 -10.123  -0.900
  230    HA   LYS  28           HA       LYS  28  -0.064  -9.688   1.659
  231   1HB   LYS  28          1HB       LYS  28  -1.041  -9.592  -1.077
  232   2HB   LYS  28          2HB       LYS  28  -1.936 -10.754  -0.109
  233   1HG   LYS  28          1HG       LYS  28  -1.447  -7.988   0.917
  234   2HG   LYS  28          2HG       LYS  28  -2.752  -8.309  -0.227
  235   1HD   LYS  28          1HD       LYS  28  -2.500 -10.041   2.187
  236   2HD   LYS  28          2HD       LYS  28  -3.161  -8.416   2.374
  237   1HE   LYS  28          1HE       LYS  28  -5.086  -9.571   1.959
  238   2HE   LYS  28          2HE       LYS  28  -4.631  -9.148   0.310
  239   1HZ   LYS  28          1HZ       LYS  28  -5.290 -11.556   0.825
  240   2HZ   LYS  28          2HZ       LYS  28  -3.749 -11.699   1.506
  241   3HZ   LYS  28          3HZ       LYS  28  -3.917 -11.293  -0.128
  242    H    LYS  29           H        LYS  29  -1.167 -11.519   2.562
  243    HA   LYS  29           HA       LYS  29   0.351 -13.920   2.398
  244   1HB   LYS  29          1HB       LYS  29  -1.199 -14.805   4.057
  245   2HB   LYS  29          2HB       LYS  29  -0.697 -13.178   4.491
  246   1HG   LYS  29          1HG       LYS  29  -2.879 -12.841   4.844
  247   2HG   LYS  29          2HG       LYS  29  -2.962 -12.662   3.091
  248   1HD   LYS  29          1HD       LYS  29  -3.148 -15.359   3.348
  249   2HD   LYS  29          2HD       LYS  29  -3.951 -14.823   4.825
  250   1HE   LYS  29          1HE       LYS  29  -5.563 -13.594   3.622
  251   2HE   LYS  29          2HE       LYS  29  -4.634 -13.687   2.127
  252   1HZ   LYS  29          1HZ       LYS  29  -6.502 -15.201   2.076
  253   2HZ   LYS  29          2HZ       LYS  29  -5.971 -15.965   3.488
  254   3HZ   LYS  29          3HZ       LYS  29  -5.053 -16.075   2.071
  Start of MODEL   45
    1    H    TYR   1           H        TYR   1  -7.180  14.467   6.632
    2    HA   TYR   1           HA       TYR   1  -6.153  11.947   5.500
    3   1HB   TYR   1          1HB       TYR   1  -8.789  12.599   6.844
    4   2HB   TYR   1          2HB       TYR   1  -8.298  11.027   6.227
    5    HD1  TYR   1           HD1      TYR   1  -8.659  12.889   9.121
    6    HD2  TYR   1           HD2      TYR   1  -5.916  10.232   7.248
    7    HE1  TYR   1           HE1      TYR   1  -7.700  12.340  11.318
    8    HE2  TYR   1           HE2      TYR   1  -4.951   9.673   9.438
    9    HH   TYR   1           HH       TYR   1  -6.278  10.010  12.176
   10    H    LYS   2           H        LYS   2  -6.012  13.962   3.779
   11    HA   LYS   2           HA       LYS   2  -8.555  14.209   2.363
   12   1HB   LYS   2          1HB       LYS   2  -6.068  15.760   2.498
   13   2HB   LYS   2          2HB       LYS   2  -6.719  15.606   0.873
   14   1HG   LYS   2          1HG       LYS   2  -8.283  16.599   3.247
   15   2HG   LYS   2          2HG       LYS   2  -7.477  17.635   2.067
   16   1HD   LYS   2          1HD       LYS   2  -8.876  16.201   0.355
   17   2HD   LYS   2          2HD       LYS   2  -9.903  15.929   1.763
   18   1HE   LYS   2          1HE       LYS   2  -9.890  18.458   2.060
   19   2HE   LYS   2          2HE       LYS   2  -9.202  18.535   0.438
   20   1HZ   LYS   2          1HZ       LYS   2 -11.824  17.359   1.189
   21   2HZ   LYS   2          2HZ       LYS   2 -11.157  17.301  -0.364
   22   3HZ   LYS   2          3HZ       LYS   2 -11.571  18.790   0.323
   23    H    PHE   3           H        PHE   3  -5.691  12.317   2.219
   24    HA   PHE   3           HA       PHE   3  -5.891  11.807  -0.623
   25   1HB   PHE   3          1HB       PHE   3  -4.057  10.738   1.527
   26   2HB   PHE   3          2HB       PHE   3  -3.982  10.267  -0.151
   27    HD1  PHE   3           HD1      PHE   3  -3.601  12.127  -1.890
   28    HD2  PHE   3           HD2      PHE   3  -2.880  12.592   2.279
   29    HE1  PHE   3           HE1      PHE   3  -2.122  14.036  -2.361
   30    HE2  PHE   3           HE2      PHE   3  -1.403  14.502   1.815
   31    HZ   PHE   3           HZ       PHE   3  -1.022  15.227  -0.509
   32    H    ALA   4           H        ALA   4  -5.950   9.541  -1.406
   33    HA   ALA   4           HA       ALA   4  -7.322   7.642   0.334
   34   1HB   ALA   4          1HB       ALA   4  -8.494   8.559  -2.290
   35   2HB   ALA   4          2HB       ALA   4  -9.137   8.911  -0.685
   36   3HB   ALA   4          3HB       ALA   4  -9.116   7.252  -1.283
   37    H    CYS   5           H        CYS   5  -7.066   5.496  -0.256
   38    HA   CYS   5           HA       CYS   5  -4.882   4.973  -2.086
   39   1HB   CYS   5          1HB       CYS   5  -5.178   3.875   0.198
   40   2HB   CYS   5          2HB       CYS   5  -6.458   2.924  -0.533
   41    HG   CYS   5           HG       CYS   5  -4.620   1.382  -1.045
   42    HA   PRO   6           HA       PRO   6  -7.487   3.841  -5.501
   43   1HB   PRO   6          1HB       PRO   6  -5.687   2.449  -6.973
   44   2HB   PRO   6          2HB       PRO   6  -5.650   4.211  -6.833
   45   1HG   PRO   6          1HG       PRO   6  -4.020   2.161  -5.382
   46   2HG   PRO   6          2HG       PRO   6  -3.504   3.700  -6.096
   47   1HD   PRO   6          1HD       PRO   6  -3.971   3.391  -3.441
   48   2HD   PRO   6          2HD       PRO   6  -4.238   4.927  -4.292
   49    H    GLU   7           H        GLU   7  -5.872   1.491  -3.491
   50    HA   GLU   7           HA       GLU   7  -7.430  -0.703  -4.634
   51   1HB   GLU   7          1HB       GLU   7  -4.957  -0.510  -2.972
   52   2HB   GLU   7          2HB       GLU   7  -5.930  -1.965  -2.869
   53   1HG   GLU   7          1HG       GLU   7  -4.330  -2.457  -4.482
   54   2HG   GLU   7          2HG       GLU   7  -5.770  -2.047  -5.413
   55    H    CYS   8           H        CYS   8  -6.718   0.825  -1.486
   56    HA   CYS   8           HA       CYS   8  -9.174  -0.415  -0.419
   57   1HB   CYS   8          1HB       CYS   8  -8.173  -0.415   1.760
   58   2HB   CYS   8          2HB       CYS   8  -7.032  -1.143   0.641
   59    HG   CYS   8           HG       CYS   8  -5.417   0.670   1.075
   60    HA   PRO   9           HA       PRO   9 -10.624   3.638   0.609
   61   1HB   PRO   9          1HB       PRO   9 -12.255   3.141   2.663
   62   2HB   PRO   9          2HB       PRO   9 -12.543   2.426   1.074
   63   1HG   PRO   9          1HG       PRO   9 -11.453   1.178   3.543
   64   2HG   PRO   9          2HG       PRO   9 -12.451   0.463   2.266
   65   1HD   PRO   9          1HD       PRO   9  -9.640   0.262   2.544
   66   2HD   PRO   9          2HD       PRO   9 -10.607  -0.253   1.152
   67    H    LYS  10           H        LYS  10  -7.961   3.253   1.781
   68    HA   LYS  10           HA       LYS  10  -8.157   4.265   4.488
   69   1HB   LYS  10          1HB       LYS  10  -5.731   3.730   2.763
   70   2HB   LYS  10          2HB       LYS  10  -5.670   4.266   4.416
   71   1HG   LYS  10          1HG       LYS  10  -7.213   1.807   3.830
   72   2HG   LYS  10          2HG       LYS  10  -5.452   1.725   3.780
   73   1HD   LYS  10          1HD       LYS  10  -5.866   1.208   5.987
   74   2HD   LYS  10          2HD       LYS  10  -5.620   2.952   6.083
   75   1HE   LYS  10          1HE       LYS  10  -8.378   2.330   5.510
   76   2HE   LYS  10          2HE       LYS  10  -7.838   1.497   6.966
   77   1HZ   LYS  10          1HZ       LYS  10  -7.140   3.584   7.899
   78   2HZ   LYS  10          2HZ       LYS  10  -8.756   3.711   7.417
   79   3HZ   LYS  10          3HZ       LYS  10  -7.538   4.411   6.478
   80    H    ARG  11           H        ARG  11  -7.055   6.214   5.158
   81    HA   ARG  11           HA       ARG  11  -6.684   8.271   3.119
   82   1HB   ARG  11          1HB       ARG  11  -8.044   9.701   5.034
   83   2HB   ARG  11          2HB       ARG  11  -8.713   9.155   3.507
   84   1HG   ARG  11          1HG       ARG  11 -10.287   8.501   5.085
   85   2HG   ARG  11          2HG       ARG  11  -9.375   7.025   4.763
   86   1HD   ARG  11          1HD       ARG  11  -7.931   7.787   6.783
   87   2HD   ARG  11          2HD       ARG  11  -9.316   8.805   7.170
   88    HE   ARG  11           HE       ARG  11  -9.139   5.934   7.396
   89   1HH1  ARG  11          1HH1      ARG  11 -11.299   8.686   7.198
   90   2HH1  ARG  11          2HH1      ARG  11 -12.623   7.852   7.938
   91   1HH2  ARG  11          1HH2      ARG  11 -10.888   4.844   8.368
   92   2HH2  ARG  11          2HH2      ARG  11 -12.391   5.673   8.601
   93    H    PHE  12           H        PHE  12  -5.067   9.682   3.601
   94    HA   PHE  12           HA       PHE  12  -4.052   9.711   6.361
   95   1HB   PHE  12          1HB       PHE  12  -2.298   9.444   3.945
   96   2HB   PHE  12          2HB       PHE  12  -1.774   9.429   5.614
   97    HD1  PHE  12           HD1      PHE  12  -4.233   7.608   3.475
   98    HD2  PHE  12           HD2      PHE  12  -1.203   7.358   6.452
   99    HE1  PHE  12           HE1      PHE  12  -4.452   5.174   3.479
  100    HE2  PHE  12           HE2      PHE  12  -1.424   4.904   6.461
  101    HZ   PHE  12           HZ       PHE  12  -3.054   3.812   4.958
  102    H    MET  13           H        MET  13  -2.654  11.502   6.878
  103    HA   MET  13           HA       MET  13  -3.572  13.961   5.706
  104   1HB   MET  13          1HB       MET  13  -1.468  13.475   7.825
  105   2HB   MET  13          2HB       MET  13  -2.141  15.042   7.398
  106   1HG   MET  13          1HG       MET  13  -4.163  13.062   8.096
  107   2HG   MET  13          2HG       MET  13  -3.027  13.405   9.399
  108   1HE   MET  13          1HE       MET  13  -4.940  15.377  11.160
  109   2HE   MET  13          2HE       MET  13  -5.134  13.760  10.484
  110   3HE   MET  13          3HE       MET  13  -6.329  15.008  10.139
  111    H    ARG  14           H        ARG  14  -0.604  12.060   5.664
  112    HA   ARG  14           HA       ARG  14   0.692  14.046   3.939
  113   1HB   ARG  14          1HB       ARG  14   1.735  11.648   5.441
  114   2HB   ARG  14          2HB       ARG  14   2.704  12.507   4.257
  115   1HG   ARG  14          1HG       ARG  14   3.395  13.730   5.987
  116   2HG   ARG  14          2HG       ARG  14   1.836  14.544   5.851
  117   1HD   ARG  14          1HD       ARG  14   1.232  13.804   7.855
  118   2HD   ARG  14          2HD       ARG  14   1.509  12.133   7.355
  119    HE   ARG  14           HE       ARG  14   3.996  13.193   7.922
  120   1HH1  ARG  14          1HH1      ARG  14   1.021  12.615   9.675
  121   2HH1  ARG  14          2HH1      ARG  14   1.819  12.392  11.196
  122   1HH2  ARG  14          1HH2      ARG  14   5.039  12.893   9.926
  123   2HH2  ARG  14          2HH2      ARG  14   4.098  12.550  11.339
  124    H    SER  15           H        SER  15   1.779  13.344   2.005
  125    HA   SER  15           HA       SER  15   0.222  11.365   0.543
  126   1HB   SER  15          1HB       SER  15   0.561  12.662  -1.212
  127   2HB   SER  15          2HB       SER  15   1.363  13.817  -0.153
  128    HG   SER  15           HG       SER  15   2.430  12.072  -2.009
  129    H    ASP  16           H        ASP  16   3.591  12.030   1.410
  130    HA   ASP  16           HA       ASP  16   4.704   9.737   0.180
  131   1HB   ASP  16          1HB       ASP  16   6.545  10.188   2.044
  132   2HB   ASP  16          2HB       ASP  16   6.375  11.247   0.654
  133    H    HIS  17           H        HIS  17   3.735  10.392   3.539
  134    HA   HIS  17           HA       HIS  17   4.419   7.875   4.589
  135   1HB   HIS  17          1HB       HIS  17   2.487  10.011   5.457
  136   2HB   HIS  17          2HB       HIS  17   2.632   8.499   6.340
  137    HD1  HIS  17           HD1      HIS  17   3.427  10.117   8.321
  138    HD2  HIS  17           HD2      HIS  17   6.014   9.785   5.083
  139    HE1  HIS  17           HE1      HIS  17   5.630  11.008   9.127
  140    HE2  HIS  17           HE2      HIS  17   7.163  10.870   7.134
  141    H    LEU  18           H        LEU  18   1.413   9.073   3.130
  142    HA   LEU  18           HA       LEU  18  -0.203   6.852   3.659
  143   1HB   LEU  18          1HB       LEU  18  -0.992   9.019   2.794
  144   2HB   LEU  18          2HB       LEU  18  -0.253   8.670   1.256
  145    HG   LEU  18           HG       LEU  18  -2.305   6.810   2.379
  146   1HD1  LEU  18          1HD1      LEU  18  -3.998   8.117   1.110
  147   2HD1  LEU  18          2HD1      LEU  18  -2.789   9.389   0.929
  148   3HD1  LEU  18          3HD1      LEU  18  -3.364   8.945   2.532
  149   1HD2  LEU  18          1HD2      LEU  18  -1.833   5.783   0.472
  150   2HD2  LEU  18          2HD2      LEU  18  -0.864   7.145  -0.099
  151   3HD2  LEU  18          3HD2      LEU  18  -2.610   7.138  -0.353
  152    H    THR  19           H        THR  19   1.945   7.574   0.920
  153    HA   THR  19           HA       THR  19   1.340   5.301  -0.581
  154    HB   THR  19           HB       THR  19   3.964   6.808  -0.484
  155    HG1  THR  19           HG1      THR  19   2.712   8.331  -1.218
  156   1HG2  THR  19          1HG2      THR  19   4.129   6.117  -2.878
  157   2HG2  THR  19          2HG2      THR  19   2.808   4.987  -2.577
  158   3HG2  THR  19          3HG2      THR  19   4.334   4.812  -1.710
  159    H    LEU  20           H        LEU  20   3.524   5.797   2.131
  160    HA   LEU  20           HA       LEU  20   5.066   3.469   1.956
  161   1HB   LEU  20          1HB       LEU  20   5.472   5.327   3.544
  162   2HB   LEU  20          2HB       LEU  20   4.053   4.853   4.450
  163    HG   LEU  20           HG       LEU  20   6.287   4.155   5.404
  164   1HD1  LEU  20          1HD1      LEU  20   5.303   2.437   6.478
  165   2HD1  LEU  20          2HD1      LEU  20   4.780   1.657   4.986
  166   3HD1  LEU  20          3HD1      LEU  20   3.872   3.024   5.631
  167   1HD2  LEU  20          1HD2      LEU  20   7.502   2.381   4.472
  168   2HD2  LEU  20          2HD2      LEU  20   7.155   3.448   3.111
  169   3HD2  LEU  20          3HD2      LEU  20   6.210   1.976   3.340
  170    H    HIS  21           H        HIS  21   1.878   4.054   3.350
  171    HA   HIS  21           HA       HIS  21   1.385   1.587   4.534
  172   1HB   HIS  21          1HB       HIS  21  -0.561   2.598   4.994
  173   2HB   HIS  21          2HB       HIS  21  -0.051   3.960   4.038
  174    HD1  HIS  21           HD1      HIS  21  -2.006   4.630   2.639
  175    HD2  HIS  21           HD2      HIS  21  -1.565   0.515   2.807
  176    HE1  HIS  21           HE1      HIS  21  -3.862   3.649   1.238
  177    H    ILE  22           H        ILE  22   0.683   2.687   1.262
  178    HA   ILE  22           HA       ILE  22  -0.620   0.384   0.388
  179    HB   ILE  22           HB       ILE  22   0.934   2.188  -1.453
  180   1HG1  ILE  22          1HG1      ILE  22  -1.910   2.757  -0.826
  181   2HG1  ILE  22          2HG1      ILE  22  -0.748   3.207   0.401
  182   1HG2  ILE  22          1HG2      ILE  22  -0.565  -0.025  -1.991
  183   2HG2  ILE  22          2HG2      ILE  22  -0.294   1.303  -3.119
  184   3HG2  ILE  22          3HG2      ILE  22  -1.763   1.262  -2.139
  185   1HD1  ILE  22          1HD1      ILE  22  -1.369   4.447  -2.129
  186   2HD1  ILE  22          2HD1      ILE  22   0.360   4.177  -1.913
  187   3HD1  ILE  22          3HD1      ILE  22  -0.548   5.099  -0.715
  188    H    LEU  23           H        LEU  23   2.597   0.507   1.269
  189    HA   LEU  23           HA       LEU  23   3.753  -1.121  -0.752
  190   1HB   LEU  23          1HB       LEU  23   4.555  -0.043   1.834
  191   2HB   LEU  23          2HB       LEU  23   5.162  -1.664   1.575
  192    HG   LEU  23           HG       LEU  23   5.581  -0.007  -0.766
  193   1HD1  LEU  23          1HD1      LEU  23   5.647   1.781   0.940
  194   2HD1  LEU  23          2HD1      LEU  23   7.201   1.520   0.149
  195   3HD1  LEU  23          3HD1      LEU  23   6.923   0.898   1.776
  196   1HD2  LEU  23          1HD2      LEU  23   7.829  -0.859  -0.569
  197   2HD2  LEU  23          2HD2      LEU  23   6.681  -2.164  -0.265
  198   3HD2  LEU  23          3HD2      LEU  23   7.518  -1.393   1.083
  199    H    LEU  24           H        LEU  24   1.990  -1.796   2.251
  200    HA   LEU  24           HA       LEU  24   2.569  -4.573   2.321
  201   1HB   LEU  24          1HB       LEU  24   0.274  -4.602   3.632
  202   2HB   LEU  24          2HB       LEU  24   1.769  -4.050   4.351
  203    HG   LEU  24           HG       LEU  24   1.052  -1.703   3.775
  204   1HD1  LEU  24          1HD1      LEU  24  -1.408  -1.395   3.482
  205   2HD1  LEU  24          2HD1      LEU  24  -1.539  -3.130   3.190
  206   3HD1  LEU  24          3HD1      LEU  24  -0.607  -2.119   2.088
  207   1HD2  LEU  24          1HD2      LEU  24   0.742  -3.112   5.965
  208   2HD2  LEU  24          2HD2      LEU  24  -0.967  -2.905   5.581
  209   3HD2  LEU  24          3HD2      LEU  24   0.064  -1.491   5.811
  210    H    HIS  25           H        HIS  25   0.329  -2.731   0.416
  211    HA   HIS  25           HA       HIS  25  -1.634  -4.615  -0.147
  212   1HB   HIS  25          1HB       HIS  25  -0.510  -2.279  -1.613
  213   2HB   HIS  25          2HB       HIS  25  -1.499  -3.408  -2.530
  214    HD1  HIS  25           HD1      HIS  25  -3.924  -3.936  -1.112
  215    HD2  HIS  25           HD2      HIS  25  -1.976  -0.308  -0.570
  216    HE1  HIS  25           HE1      HIS  25  -5.648  -2.333  -0.188
  217    H    GLU  26           H        GLU  26   1.538  -4.160  -1.680
  218    HA   GLU  26           HA       GLU  26   1.195  -6.323  -3.530
  219   1HB   GLU  26          1HB       GLU  26   3.569  -4.673  -2.677
  220   2HB   GLU  26          2HB       GLU  26   3.731  -6.022  -3.793
  221   1HG   GLU  26          1HG       GLU  26   1.603  -4.241  -4.594
  222   2HG   GLU  26          2HG       GLU  26   3.135  -3.386  -4.420
  223    H    ASN  27           H        ASN  27   3.007  -5.878  -0.500
  224    HA   ASN  27           HA       ASN  27   2.941  -8.782  -0.100
  225   1HB   ASN  27          1HB       ASN  27   5.340  -7.073  -0.350
  226   2HB   ASN  27          2HB       ASN  27   5.350  -8.190   1.010
  227   1HD2  ASN  27          1HD2      ASN  27   5.294 -10.422   0.613
  228   2HD2  ASN  27          2HD2      ASN  27   5.708 -11.074  -0.932
  229    H    LYS  28           H        LYS  28   1.512  -8.807   1.550
  230    HA   LYS  28           HA       LYS  28   1.426  -6.852   3.615
  231   1HB   LYS  28          1HB       LYS  28  -0.347  -8.666   2.717
  232   2HB   LYS  28          2HB       LYS  28   0.261  -9.534   4.119
  233   1HG   LYS  28          1HG       LYS  28  -0.397  -6.745   4.670
  234   2HG   LYS  28          2HG       LYS  28  -1.772  -7.711   4.130
  235   1HD   LYS  28          1HD       LYS  28  -1.565  -9.212   5.920
  236   2HD   LYS  28          2HD       LYS  28   0.079  -8.684   6.286
  237   1HE   LYS  28          1HE       LYS  28  -1.157  -7.679   7.967
  238   2HE   LYS  28          2HE       LYS  28  -1.021  -6.392   6.770
  239   1HZ   LYS  28          1HZ       LYS  28  -3.362  -8.196   7.087
  240   2HZ   LYS  28          2HZ       LYS  28  -3.232  -6.922   5.981
  241   3HZ   LYS  28          3HZ       LYS  28  -3.275  -6.600   7.640
  242    H    LYS  29           H        LYS  29   1.836  -7.169   5.878
  243    HA   LYS  29           HA       LYS  29   4.369  -8.294   6.413
  244   1HB   LYS  29          1HB       LYS  29   3.924  -7.722   8.764
  245   2HB   LYS  29          2HB       LYS  29   3.533  -6.392   7.683
  246   1HG   LYS  29          1HG       LYS  29   1.148  -7.777   7.919
  247   2HG   LYS  29          2HG       LYS  29   1.844  -7.839   9.538
  248   1HD   LYS  29          1HD       LYS  29   1.855  -5.243   8.076
  249   2HD   LYS  29          2HD       LYS  29   0.337  -5.816   8.772
  250   1HE   LYS  29          1HE       LYS  29   2.853  -5.737  10.401
  251   2HE   LYS  29          2HE       LYS  29   1.861  -4.294  10.194
  252   1HZ   LYS  29          1HZ       LYS  29   0.982  -6.882  11.360
  253   2HZ   LYS  29          2HZ       LYS  29  -0.030  -5.554  11.087
  254   3HZ   LYS  29          3HZ       LYS  29   1.237  -5.435  12.199
  Start of MODEL   46
    1    H    TYR   1           H        TYR   1  -8.575  14.399   5.342
    2    HA   TYR   1           HA       TYR   1  -7.873  11.660   4.551
    3   1HB   TYR   1          1HB       TYR   1 -10.375  11.570   3.928
    4   2HB   TYR   1          2HB       TYR   1  -9.949  11.358   5.620
    5    HD1  TYR   1           HD1      TYR   1 -10.646  12.938   7.280
    6    HD2  TYR   1           HD2      TYR   1 -11.403  13.692   3.162
    7    HE1  TYR   1           HE1      TYR   1 -12.176  14.761   7.900
    8    HE2  TYR   1           HE2      TYR   1 -12.931  15.518   3.770
    9    HH   TYR   1           HH       TYR   1 -13.013  17.094   6.283
   10    H    LYS   2           H        LYS   2  -6.530  13.654   3.414
   11    HA   LYS   2           HA       LYS   2  -7.934  14.806   1.180
   12   1HB   LYS   2          1HB       LYS   2  -5.392  15.172   2.479
   13   2HB   LYS   2          2HB       LYS   2  -5.153  14.999   0.745
   14   1HG   LYS   2          1HG       LYS   2  -7.286  16.733   0.914
   15   2HG   LYS   2          2HG       LYS   2  -6.259  17.212   2.266
   16   1HD   LYS   2          1HD       LYS   2  -5.049  16.737  -0.427
   17   2HD   LYS   2          2HD       LYS   2  -5.881  18.258  -0.094
   18   1HE   LYS   2          1HE       LYS   2  -4.417  18.568   1.883
   19   2HE   LYS   2          2HE       LYS   2  -3.541  17.109   1.423
   20   1HZ   LYS   2          1HZ       LYS   2  -2.406  19.089   0.652
   21   2HZ   LYS   2          2HZ       LYS   2  -3.775  19.580  -0.211
   22   3HZ   LYS   2          3HZ       LYS   2  -2.946  18.177  -0.667
   23    H    PHE   3           H        PHE   3  -5.458  12.275   1.588
   24    HA   PHE   3           HA       PHE   3  -5.724  11.542  -1.224
   25   1HB   PHE   3          1HB       PHE   3  -3.705  11.130   0.893
   26   2HB   PHE   3          2HB       PHE   3  -3.923   9.789  -0.215
   27    HD1  PHE   3           HD1      PHE   3  -3.588  10.155  -2.666
   28    HD2  PHE   3           HD2      PHE   3  -2.573  13.091   0.244
   29    HE1  PHE   3           HE1      PHE   3  -2.159  11.293  -4.315
   30    HE2  PHE   3           HE2      PHE   3  -1.145  14.233  -1.400
   31    HZ   PHE   3           HZ       PHE   3  -0.936  13.335  -3.683
   32    H    ALA   4           H        ALA   4  -5.711   9.130  -1.691
   33    HA   ALA   4           HA       ALA   4  -7.072   7.448   0.231
   34   1HB   ALA   4          1HB       ALA   4  -8.958   8.648  -0.693
   35   2HB   ALA   4          2HB       ALA   4  -8.985   6.975  -1.251
   36   3HB   ALA   4          3HB       ALA   4  -8.439   8.256  -2.332
   37    H    CYS   5           H        CYS   5  -6.897   5.253  -0.233
   38    HA   CYS   5           HA       CYS   5  -4.868   4.569  -2.178
   39   1HB   CYS   5          1HB       CYS   5  -5.045   3.588   0.170
   40   2HB   CYS   5          2HB       CYS   5  -6.399   2.643  -0.432
   41    HG   CYS   5           HG       CYS   5  -4.775   1.029  -1.256
   42    HA   PRO   6           HA       PRO   6  -7.694   3.341  -5.373
   43   1HB   PRO   6          1HB       PRO   6  -6.024   1.827  -6.869
   44   2HB   PRO   6          2HB       PRO   6  -5.912   3.590  -6.808
   45   1HG   PRO   6          1HG       PRO   6  -4.293   1.537  -5.350
   46   2HG   PRO   6          2HG       PRO   6  -3.751   3.017  -6.161
   47   1HD   PRO   6          1HD       PRO   6  -4.092   2.850  -3.474
   48   2HD   PRO   6          2HD       PRO   6  -4.335   4.356  -4.383
   49    H    GLU   7           H        GLU   7  -6.163   1.097  -3.233
   50    HA   GLU   7           HA       GLU   7  -7.821  -1.113  -4.224
   51   1HB   GLU   7          1HB       GLU   7  -5.168  -0.932  -2.979
   52   2HB   GLU   7          2HB       GLU   7  -6.181  -2.204  -2.316
   53   1HG   GLU   7          1HG       GLU   7  -5.282  -3.401  -3.989
   54   2HG   GLU   7          2HG       GLU   7  -6.567  -2.646  -4.931
   55    H    CYS   8           H        CYS   8  -6.918   0.604  -1.238
   56    HA   CYS   8           HA       CYS   8  -9.336  -0.510   0.032
   57   1HB   CYS   8          1HB       CYS   8  -8.201  -0.354   2.176
   58   2HB   CYS   8          2HB       CYS   8  -7.245  -1.314   1.058
   59    HG   CYS   8           HG       CYS   8  -5.473   0.462   1.007
   60    HA   PRO   9           HA       PRO   9 -10.573   3.656   0.852
   61   1HB   PRO   9          1HB       PRO   9 -12.194   3.345   2.949
   62   2HB   PRO   9          2HB       PRO   9 -12.538   2.567   1.401
   63   1HG   PRO   9          1HG       PRO   9 -11.476   1.391   3.918
   64   2HG   PRO   9          2HG       PRO   9 -12.524   0.663   2.690
   65   1HD   PRO   9          1HD       PRO   9  -9.722   0.338   2.947
   66   2HD   PRO   9          2HD       PRO   9 -10.735  -0.197   1.595
   67    H    LYS  10           H        LYS  10  -7.911   3.201   2.030
   68    HA   LYS  10           HA       LYS  10  -8.011   4.325   4.686
   69   1HB   LYS  10          1HB       LYS  10  -5.593   3.896   2.920
   70   2HB   LYS  10          2HB       LYS  10  -5.579   4.254   4.623
   71   1HG   LYS  10          1HG       LYS  10  -6.966   1.813   3.614
   72   2HG   LYS  10          2HG       LYS  10  -5.219   1.829   3.868
   73   1HD   LYS  10          1HD       LYS  10  -5.433   1.751   6.100
   74   2HD   LYS  10          2HD       LYS  10  -6.745   2.932   6.107
   75   1HE   LYS  10          1HE       LYS  10  -7.146   0.084   5.230
   76   2HE   LYS  10          2HE       LYS  10  -7.292   0.578   6.915
   77   1HZ   LYS  10          1HZ       LYS  10  -8.892   1.630   4.643
   78   2HZ   LYS  10          2HZ       LYS  10  -9.014   2.158   6.245
   79   3HZ   LYS  10          3HZ       LYS  10  -9.440   0.572   5.843
   80    H    ARG  11           H        ARG  11  -7.043   6.324   5.288
   81    HA   ARG  11           HA       ARG  11  -6.698   8.321   3.181
   82   1HB   ARG  11          1HB       ARG  11  -8.153   9.919   4.477
   83   2HB   ARG  11          2HB       ARG  11  -9.012   8.610   3.680
   84   1HG   ARG  11          1HG       ARG  11  -8.197   8.194   6.500
   85   2HG   ARG  11          2HG       ARG  11  -9.512   9.324   6.182
   86   1HD   ARG  11          1HD       ARG  11  -9.568   6.658   4.857
   87   2HD   ARG  11          2HD       ARG  11  -9.965   6.754   6.570
   88    HE   ARG  11           HE       ARG  11 -11.413   8.690   5.082
   89   1HH1  ARG  11          1HH1      ARG  11 -11.333   5.267   5.818
   90   2HH1  ARG  11          2HH1      ARG  11 -13.029   5.045   5.552
   91   1HH2  ARG  11          1HH2      ARG  11 -13.649   8.392   4.740
   92   2HH2  ARG  11          2HH2      ARG  11 -14.343   6.818   4.941
   93    H    PHE  12           H        PHE  12  -5.022   9.641   3.585
   94    HA   PHE  12           HA       PHE  12  -4.106   9.921   6.368
   95   1HB   PHE  12          1HB       PHE  12  -2.243   9.512   4.057
   96   2HB   PHE  12          2HB       PHE  12  -1.820   9.558   5.752
   97    HD1  PHE  12           HD1      PHE  12  -4.205   7.653   3.595
   98    HD2  PHE  12           HD2      PHE  12  -1.230   7.518   6.634
   99    HE1  PHE  12           HE1      PHE  12  -4.402   5.220   3.667
  100    HE2  PHE  12           HE2      PHE  12  -1.431   5.064   6.713
  101    HZ   PHE  12           HZ       PHE  12  -3.019   3.913   5.212
  102    H    MET  13           H        MET  13  -2.978  11.813   6.876
  103    HA   MET  13           HA       MET  13  -3.682  14.098   5.259
  104   1HB   MET  13          1HB       MET  13  -2.414  13.704   7.944
  105   2HB   MET  13          2HB       MET  13  -2.278  15.265   7.147
  106   1HG   MET  13          1HG       MET  13  -4.740  15.357   6.992
  107   2HG   MET  13          2HG       MET  13  -4.823  13.846   7.895
  108   1HE   MET  13          1HE       MET  13  -5.548  15.302  11.200
  109   2HE   MET  13          2HE       MET  13  -5.127  13.790  10.395
  110   3HE   MET  13          3HE       MET  13  -6.371  14.836   9.712
  111    H    ARG  14           H        ARG  14  -0.937  12.046   5.647
  112    HA   ARG  14           HA       ARG  14   0.862  13.983   4.376
  113   1HB   ARG  14          1HB       ARG  14   1.518  11.248   5.491
  114   2HB   ARG  14          2HB       ARG  14   2.665  12.479   4.987
  115   1HG   ARG  14          1HG       ARG  14   2.713  12.760   7.252
  116   2HG   ARG  14          2HG       ARG  14   1.453  13.916   6.817
  117   1HD   ARG  14          1HD       ARG  14  -0.160  12.734   7.847
  118   2HD   ARG  14          2HD       ARG  14   0.488  11.187   7.298
  119    HE   ARG  14           HE       ARG  14   1.674  11.011   9.256
  120   1HH1  ARG  14          1HH1      ARG  14   0.378  14.256   9.006
  121   2HH1  ARG  14          2HH1      ARG  14   0.790  14.675  10.634
  122   1HH2  ARG  14          1HH2      ARG  14   2.212  11.571  11.397
  123   2HH2  ARG  14          2HH2      ARG  14   1.831  13.152  11.991
  124    H    SER  15           H        SER  15   2.158  13.311   2.542
  125    HA   SER  15           HA       SER  15   0.622  11.617   0.727
  126   1HB   SER  15          1HB       SER  15   1.044  13.392  -0.542
  127   2HB   SER  15          2HB       SER  15   2.431  13.903   0.417
  128    HG   SER  15           HG       SER  15   2.312  12.279  -1.832
  129    H    ASP  16           H        ASP  16   3.986  11.986   1.852
  130    HA   ASP  16           HA       ASP  16   4.919   9.651   0.519
  131   1HB   ASP  16          1HB       ASP  16   6.997   9.996   1.683
  132   2HB   ASP  16          2HB       ASP  16   6.378  11.564   1.186
  133    H    HIS  17           H        HIS  17   3.815  10.278   3.832
  134    HA   HIS  17           HA       HIS  17   4.483   7.720   4.860
  135   1HB   HIS  17          1HB       HIS  17   2.491   9.802   5.763
  136   2HB   HIS  17          2HB       HIS  17   2.769   8.300   6.633
  137    HD1  HIS  17           HD1      HIS  17   3.421  10.211   8.516
  138    HD2  HIS  17           HD2      HIS  17   6.096   9.581   5.402
  139    HE1  HIS  17           HE1      HIS  17   5.601  11.179   9.299
  140    HE2  HIS  17           HE2      HIS  17   7.233  10.689   7.443
  141    H    LEU  18           H        LEU  18   1.525   9.050   3.416
  142    HA   LEU  18           HA       LEU  18  -0.157   6.857   3.829
  143   1HB   LEU  18          1HB       LEU  18  -0.858   9.087   3.027
  144   2HB   LEU  18          2HB       LEU  18  -0.117   8.753   1.483
  145    HG   LEU  18           HG       LEU  18  -2.254   6.954   2.552
  146   1HD1  LEU  18          1HD1      LEU  18  -3.359   9.000   2.702
  147   2HD1  LEU  18          2HD1      LEU  18  -3.800   8.387   1.110
  148   3HD1  LEU  18          3HD1      LEU  18  -2.561   9.635   1.266
  149   1HD2  LEU  18          1HD2      LEU  18  -0.811   7.344   0.041
  150   2HD2  LEU  18          2HD2      LEU  18  -2.559   7.186  -0.141
  151   3HD2  LEU  18          3HD2      LEU  18  -1.639   5.918   0.674
  152    H    THR  19           H        THR  19   2.023   7.632   1.136
  153    HA   THR  19           HA       THR  19   1.391   5.438  -0.461
  154    HB   THR  19           HB       THR  19   4.042   6.887  -0.261
  155    HG1  THR  19           HG1      THR  19   1.678   7.431  -1.708
  156   1HG2  THR  19          1HG2      THR  19   4.247   6.295  -2.673
  157   2HG2  THR  19          2HG2      THR  19   2.894   5.185  -2.454
  158   3HG2  THR  19          3HG2      THR  19   4.394   4.934  -1.562
  159    H    LEU  20           H        LEU  20   3.552   5.766   2.295
  160    HA   LEU  20           HA       LEU  20   5.034   3.403   2.022
  161   1HB   LEU  20          1HB       LEU  20   5.496   5.197   3.670
  162   2HB   LEU  20          2HB       LEU  20   4.075   4.719   4.572
  163    HG   LEU  20           HG       LEU  20   6.314   3.933   5.462
  164   1HD1  LEU  20          1HD1      LEU  20   5.298   2.209   6.498
  165   2HD1  LEU  20          2HD1      LEU  20   4.709   1.504   4.992
  166   3HD1  LEU  20          3HD1      LEU  20   3.869   2.879   5.709
  167   1HD2  LEU  20          1HD2      LEU  20   6.113   1.871   3.282
  168   2HD2  LEU  20          2HD2      LEU  20   7.410   2.094   4.455
  169   3HD2  LEU  20          3HD2      LEU  20   7.164   3.284   3.176
  170    H    HIS  21           H        HIS  21   1.873   4.028   3.462
  171    HA   HIS  21           HA       HIS  21   1.325   1.535   4.559
  172   1HB   HIS  21          1HB       HIS  21  -0.600   2.561   5.077
  173   2HB   HIS  21          2HB       HIS  21  -0.045   3.960   4.199
  174    HD1  HIS  21           HD1      HIS  21  -1.969   4.776   2.832
  175    HD2  HIS  21           HD2      HIS  21  -1.682   0.649   2.778
  176    HE1  HIS  21           HE1      HIS  21  -3.848   3.936   1.371
  177    H    ILE  22           H        ILE  22   0.529   2.781   1.355
  178    HA   ILE  22           HA       ILE  22  -0.861   0.607   0.393
  179    HB   ILE  22           HB       ILE  22   0.854   2.344  -1.374
  180   1HG1  ILE  22          1HG1      ILE  22  -1.979   3.035  -0.792
  181   2HG1  ILE  22          2HG1      ILE  22  -0.813   3.413   0.455
  182   1HG2  ILE  22          1HG2      ILE  22  -1.890   1.314  -1.971
  183   2HG2  ILE  22          2HG2      ILE  22  -0.485   0.271  -2.204
  184   3HG2  ILE  22          3HG2      ILE  22  -0.610   1.790  -3.088
  185   1HD1  ILE  22          1HD1      ILE  22   0.358   4.362  -1.843
  186   2HD1  ILE  22          2HD1      ILE  22  -0.497   5.306  -0.625
  187   3HD1  ILE  22          3HD1      ILE  22  -1.354   4.727  -2.051
  188    H    LEU  23           H        LEU  23   2.493   0.681   1.066
  189    HA   LEU  23           HA       LEU  23   3.474  -1.114  -0.859
  190   1HB   LEU  23          1HB       LEU  23   4.308  -0.256   1.856
  191   2HB   LEU  23          2HB       LEU  23   4.964  -1.776   1.283
  192    HG   LEU  23           HG       LEU  23   5.780  -0.552  -0.763
  193   1HD1  LEU  23          1HD1      LEU  23   5.977   1.878  -0.618
  194   2HD1  LEU  23          2HD1      LEU  23   5.040   1.868   0.875
  195   3HD1  LEU  23          3HD1      LEU  23   4.289   1.371  -0.640
  196   1HD2  LEU  23          1HD2      LEU  23   6.829   0.363   1.912
  197   2HD2  LEU  23          2HD2      LEU  23   7.705   0.423   0.383
  198   3HD2  LEU  23          3HD2      LEU  23   7.260  -1.133   1.085
  199    H    LEU  24           H        LEU  24   1.426  -1.580   1.923
  200    HA   LEU  24           HA       LEU  24   1.794  -4.279   2.496
  201   1HB   LEU  24          1HB       LEU  24  -0.879  -2.873   2.440
  202   2HB   LEU  24          2HB       LEU  24  -0.452  -4.285   3.384
  203    HG   LEU  24           HG       LEU  24   1.147  -1.846   3.901
  204   1HD1  LEU  24          1HD1      LEU  24  -0.499  -0.696   5.119
  205   2HD1  LEU  24          2HD1      LEU  24  -1.628  -2.047   5.034
  206   3HD1  LEU  24          3HD1      LEU  24  -1.276  -1.101   3.588
  207   1HD2  LEU  24          1HD2      LEU  24  -0.184  -3.881   5.686
  208   2HD2  LEU  24          2HD2      LEU  24   0.956  -2.635   6.195
  209   3HD2  LEU  24          3HD2      LEU  24   1.489  -3.938   5.132
  210    H    HIS  25           H        HIS  25  -0.407  -2.778   0.135
  211    HA   HIS  25           HA       HIS  25  -1.538  -5.131  -0.882
  212   1HB   HIS  25          1HB       HIS  25  -1.082  -2.572  -2.428
  213   2HB   HIS  25          2HB       HIS  25  -2.307  -3.796  -2.739
  214    HD1  HIS  25           HD1      HIS  25  -4.206  -4.000  -0.785
  215    HD2  HIS  25           HD2      HIS  25  -1.848  -0.581  -0.772
  216    HE1  HIS  25           HE1      HIS  25  -5.399  -2.318   0.681
  217    H    GLU  26           H        GLU  26   1.477  -3.497  -1.667
  218    HA   GLU  26           HA       GLU  26   2.098  -4.708  -4.096
  219   1HB   GLU  26          1HB       GLU  26   3.343  -2.847  -2.836
  220   2HB   GLU  26          2HB       GLU  26   4.157  -4.144  -1.972
  221   1HG   GLU  26          1HG       GLU  26   4.825  -5.044  -4.245
  222   2HG   GLU  26          2HG       GLU  26   4.275  -3.502  -4.900
  223    H    ASN  27           H        ASN  27   2.548  -5.893  -0.789
  224    HA   ASN  27           HA       ASN  27   3.912  -8.285  -1.636
  225   1HB   ASN  27          1HB       ASN  27   4.264  -7.142   0.593
  226   2HB   ASN  27          2HB       ASN  27   2.677  -7.737   1.069
  227   1HD2  ASN  27          1HD2      ASN  27   2.383  -9.932   1.447
  228   2HD2  ASN  27          2HD2      ASN  27   3.713 -11.016   1.649
  229    H    LYS  28           H        LYS  28   0.717  -7.600  -0.187
  230    HA   LYS  28           HA       LYS  28  -0.182 -10.288  -0.835
  231   1HB   LYS  28          1HB       LYS  28  -2.339  -9.489   0.250
  232   2HB   LYS  28          2HB       LYS  28  -0.924  -9.570   1.288
  233   1HG   LYS  28          1HG       LYS  28  -0.783  -7.299   1.514
  234   2HG   LYS  28          2HG       LYS  28  -1.555  -6.985  -0.042
  235   1HD   LYS  28          1HD       LYS  28  -3.467  -8.320   1.528
  236   2HD   LYS  28          2HD       LYS  28  -2.724  -7.113   2.580
  237   1HE   LYS  28          1HE       LYS  28  -3.223  -5.967   0.001
  238   2HE   LYS  28          2HE       LYS  28  -4.696  -6.722   0.606
  239   1HZ   LYS  28          1HZ       LYS  28  -3.126  -4.526   1.796
  240   2HZ   LYS  28          2HZ       LYS  28  -4.149  -5.468   2.759
  241   3HZ   LYS  28          3HZ       LYS  28  -4.783  -4.589   1.461
  242    H    LYS  29           H        LYS  29  -0.372 -10.419  -3.026
  243    HA   LYS  29           HA       LYS  29  -1.684  -8.391  -4.580
  244   1HB   LYS  29          1HB       LYS  29  -0.380 -11.004  -5.120
  245   2HB   LYS  29          2HB       LYS  29  -1.587 -10.470  -6.279
  246   1HG   LYS  29          1HG       LYS  29   0.470  -9.707  -7.108
  247   2HG   LYS  29          2HG       LYS  29  -0.312  -8.289  -6.406
  248   1HD   LYS  29          1HD       LYS  29   1.879  -8.138  -5.628
  249   2HD   LYS  29          2HD       LYS  29   1.020  -8.879  -4.277
  250   1HE   LYS  29          1HE       LYS  29   1.787 -11.086  -4.998
  251   2HE   LYS  29          2HE       LYS  29   2.635 -10.351  -6.358
  252   1HZ   LYS  29          1HZ       LYS  29   3.971  -9.093  -4.724
  253   2HZ   LYS  29          2HZ       LYS  29   4.184 -10.767  -4.605
  254   3HZ   LYS  29          3HZ       LYS  29   3.222  -9.955  -3.475
  Start of MODEL   47
    1    H    TYR   1           H        TYR   1  -9.508  14.415   6.047
    2    HA   TYR   1           HA       TYR   1  -7.435  12.520   5.191
    3   1HB   TYR   1          1HB       TYR   1 -10.449  12.529   4.879
    4   2HB   TYR   1          2HB       TYR   1  -9.357  11.212   4.472
    5    HD1  TYR   1           HD1      TYR   1 -11.813  11.775   6.591
    6    HD2  TYR   1           HD2      TYR   1  -7.630  11.024   6.817
    7    HE1  TYR   1           HE1      TYR   1 -12.106  10.853   8.851
    8    HE2  TYR   1           HE2      TYR   1  -7.913  10.099   9.077
    9    HH   TYR   1           HH       TYR   1 -10.413   8.972  10.306
   10    H    LYS   2           H        LYS   2  -6.350  13.652   3.619
   11    HA   LYS   2           HA       LYS   2  -7.889  15.025   1.550
   12   1HB   LYS   2          1HB       LYS   2  -5.634  15.794   2.766
   13   2HB   LYS   2          2HB       LYS   2  -4.922  14.903   1.427
   14   1HG   LYS   2          1HG       LYS   2  -5.054  17.134   0.713
   15   2HG   LYS   2          2HG       LYS   2  -6.377  16.298  -0.102
   16   1HD   LYS   2          1HD       LYS   2  -7.993  17.238   1.321
   17   2HD   LYS   2          2HD       LYS   2  -6.783  17.743   2.501
   18   1HE   LYS   2          1HE       LYS   2  -5.932  19.410   0.975
   19   2HE   LYS   2          2HE       LYS   2  -7.021  18.851  -0.293
   20   1HZ   LYS   2          1HZ       LYS   2  -7.832  20.857   0.817
   21   2HZ   LYS   2          2HZ       LYS   2  -7.884  20.033   2.293
   22   3HZ   LYS   2          3HZ       LYS   2  -8.898  19.559   1.024
   23    H    PHE   3           H        PHE   3  -5.362  12.502   1.770
   24    HA   PHE   3           HA       PHE   3  -5.812  11.782  -1.005
   25   1HB   PHE   3          1HB       PHE   3  -3.751  11.183   1.046
   26   2HB   PHE   3          2HB       PHE   3  -4.037   9.963  -0.179
   27    HD1  PHE   3           HD1      PHE   3  -3.480  10.361  -2.496
   28    HD2  PHE   3           HD2      PHE   3  -2.833  13.349   0.465
   29    HE1  PHE   3           HE1      PHE   3  -2.051  11.603  -4.067
   30    HE2  PHE   3           HE2      PHE   3  -1.403  14.596  -1.101
   31    HZ   PHE   3           HZ       PHE   3  -1.012  13.724  -3.371
   32    H    ALA   4           H        ALA   4  -5.929   9.422  -1.544
   33    HA   ALA   4           HA       ALA   4  -7.235   7.696   0.375
   34   1HB   ALA   4          1HB       ALA   4  -8.720   8.588  -2.097
   35   2HB   ALA   4          2HB       ALA   4  -9.112   9.041  -0.437
   36   3HB   ALA   4          3HB       ALA   4  -9.255   7.359  -0.949
   37    H    CYS   5           H        CYS   5  -6.820   5.588  -0.054
   38    HA   CYS   5           HA       CYS   5  -4.994   4.935  -2.137
   39   1HB   CYS   5          1HB       CYS   5  -5.302   3.836   0.202
   40   2HB   CYS   5          2HB       CYS   5  -6.531   2.868  -0.595
   41    HG   CYS   5           HG       CYS   5  -4.788   1.543  -1.726
   42    HA   PRO   6           HA       PRO   6  -7.927   3.922  -5.323
   43   1HB   PRO   6          1HB       PRO   6  -6.269   2.671  -7.040
   44   2HB   PRO   6          2HB       PRO   6  -6.202   4.417  -6.775
   45   1HG   PRO   6          1HG       PRO   6  -4.459   2.262  -5.649
   46   2HG   PRO   6          2HG       PRO   6  -4.004   3.855  -6.277
   47   1HD   PRO   6          1HD       PRO   6  -4.258   3.292  -3.614
   48   2HD   PRO   6          2HD       PRO   6  -4.502   4.911  -4.304
   49    H    GLU   7           H        GLU   7  -6.094   1.549  -3.563
   50    HA   GLU   7           HA       GLU   7  -7.644  -0.671  -4.664
   51   1HB   GLU   7          1HB       GLU   7  -5.065  -0.384  -3.248
   52   2HB   GLU   7          2HB       GLU   7  -6.002  -1.811  -2.835
   53   1HG   GLU   7          1HG       GLU   7  -5.932  -2.628  -5.031
   54   2HG   GLU   7          2HG       GLU   7  -5.400  -1.076  -5.678
   55    H    CYS   8           H        CYS   8  -6.827   0.802  -1.520
   56    HA   CYS   8           HA       CYS   8  -9.208  -0.508  -0.373
   57   1HB   CYS   8          1HB       CYS   8  -8.111  -0.535   1.753
   58   2HB   CYS   8          2HB       CYS   8  -6.994  -1.195   0.571
   59    HG   CYS   8           HG       CYS   8  -5.447   0.713   0.923
   60    HA   PRO   9           HA       PRO   9 -10.703   3.492   0.778
   61   1HB   PRO   9          1HB       PRO   9 -12.231   2.924   2.892
   62   2HB   PRO   9          2HB       PRO   9 -12.570   2.228   1.304
   63   1HG   PRO   9          1HG       PRO   9 -11.352   0.965   3.704
   64   2HG   PRO   9          2HG       PRO   9 -12.381   0.248   2.454
   65   1HD   PRO   9          1HD       PRO   9  -9.556   0.113   2.615
   66   2HD   PRO   9          2HD       PRO   9 -10.568  -0.405   1.258
   67    H    LYS  10           H        LYS  10  -7.985   3.126   1.839
   68    HA   LYS  10           HA       LYS  10  -8.083   4.102   4.561
   69   1HB   LYS  10          1HB       LYS  10  -5.731   3.639   2.713
   70   2HB   LYS  10          2HB       LYS  10  -5.597   4.168   4.367
   71   1HG   LYS  10          1HG       LYS  10  -7.030   1.635   3.693
   72   2HG   LYS  10          2HG       LYS  10  -5.273   1.682   3.857
   73   1HD   LYS  10          1HD       LYS  10  -7.082   2.768   5.995
   74   2HD   LYS  10          2HD       LYS  10  -6.667   1.055   5.923
   75   1HE   LYS  10          1HE       LYS  10  -4.835   1.556   7.085
   76   2HE   LYS  10          2HE       LYS  10  -4.234   2.363   5.637
   77   1HZ   LYS  10          1HZ       LYS  10  -5.340   4.409   6.439
   78   2HZ   LYS  10          2HZ       LYS  10  -4.113   3.868   7.469
   79   3HZ   LYS  10          3HZ       LYS  10  -5.733   3.609   7.878
   80    H    ARG  11           H        ARG  11  -6.947   6.067   5.195
   81    HA   ARG  11           HA       ARG  11  -6.739   8.165   3.179
   82   1HB   ARG  11          1HB       ARG  11  -8.142   9.681   4.704
   83   2HB   ARG  11          2HB       ARG  11  -9.001   8.515   3.709
   84   1HG   ARG  11          1HG       ARG  11  -8.763   7.024   5.880
   85   2HG   ARG  11          2HG       ARG  11  -8.645   8.605   6.654
   86   1HD   ARG  11          1HD       ARG  11 -10.905   8.334   6.714
   87   2HD   ARG  11          2HD       ARG  11 -10.755   9.098   5.132
   88    HE   ARG  11           HE       ARG  11 -10.572   6.418   4.624
   89   1HH1  ARG  11          1HH1      ARG  11 -12.935   8.470   6.195
   90   2HH1  ARG  11          2HH1      ARG  11 -14.275   7.459   5.770
   91   1HH2  ARG  11          1HH2      ARG  11 -12.342   5.094   4.062
   92   2HH2  ARG  11          2HH2      ARG  11 -13.939   5.544   4.558
   93    H    PHE  12           H        PHE  12  -5.079   9.511   3.608
   94    HA   PHE  12           HA       PHE  12  -4.068   9.640   6.368
   95   1HB   PHE  12          1HB       PHE  12  -2.286   9.381   3.974
   96   2HB   PHE  12          2HB       PHE  12  -1.803   9.332   5.654
   97    HD1  PHE  12           HD1      PHE  12  -4.222   7.539   3.439
   98    HD2  PHE  12           HD2      PHE  12  -1.218   7.252   6.438
   99    HE1  PHE  12           HE1      PHE  12  -4.419   5.103   3.388
  100    HE2  PHE  12           HE2      PHE  12  -1.416   4.798   6.393
  101    HZ   PHE  12           HZ       PHE  12  -3.019   3.723   4.852
  102    H    MET  13           H        MET  13  -2.882  11.504   6.921
  103    HA   MET  13           HA       MET  13  -3.709  13.874   5.497
  104   1HB   MET  13          1HB       MET  13  -2.068  13.460   7.998
  105   2HB   MET  13          2HB       MET  13  -2.424  15.048   7.331
  106   1HG   MET  13          1HG       MET  13  -4.384  15.080   8.347
  107   2HG   MET  13          2HG       MET  13  -4.855  13.573   7.564
  108   1HE   MET  13          1HE       MET  13  -3.151  14.106  11.786
  109   2HE   MET  13          2HE       MET  13  -3.669  15.374  10.674
  110   3HE   MET  13          3HE       MET  13  -2.144  14.530  10.401
  111    H    ARG  14           H        ARG  14  -0.862  11.893   5.694
  112    HA   ARG  14           HA       ARG  14   0.767  13.924   4.345
  113   1HB   ARG  14          1HB       ARG  14   1.534  11.246   5.527
  114   2HB   ARG  14          2HB       ARG  14   2.653  12.368   4.769
  115   1HG   ARG  14          1HG       ARG  14   1.071  12.834   7.289
  116   2HG   ARG  14          2HG       ARG  14   2.808  12.551   7.164
  117   1HD   ARG  14          1HD       ARG  14   1.284  14.921   6.084
  118   2HD   ARG  14          2HD       ARG  14   2.367  14.913   7.480
  119    HE   ARG  14           HE       ARG  14   4.016  14.087   5.565
  120   1HH1  ARG  14          1HH1      ARG  14   1.710  16.727   5.551
  121   2HH1  ARG  14          2HH1      ARG  14   2.627  17.681   4.436
  122   1HH2  ARG  14          1HH2      ARG  14   5.215  15.351   4.100
  123   2HH2  ARG  14          2HH2      ARG  14   4.617  16.901   3.613
  124    H    SER  15           H        SER  15   1.947  13.374   2.420
  125    HA   SER  15           HA       SER  15   0.405  11.645   0.663
  126   1HB   SER  15          1HB       SER  15   0.786  13.393  -0.646
  127   2HB   SER  15          2HB       SER  15   2.148  13.962   0.315
  128    HG   SER  15           HG       SER  15   3.485  12.948  -0.981
  129    H    ASP  16           H        ASP  16   3.778  12.001   1.744
  130    HA   ASP  16           HA       ASP  16   4.739   9.723   0.349
  131   1HB   ASP  16          1HB       ASP  16   6.279  11.460   1.017
  132   2HB   ASP  16          2HB       ASP  16   5.866  11.218   2.707
  133    H    HIS  17           H        HIS  17   3.909  10.253   3.774
  134    HA   HIS  17           HA       HIS  17   4.425   7.676   4.707
  135   1HB   HIS  17          1HB       HIS  17   2.391   9.708   5.637
  136   2HB   HIS  17          2HB       HIS  17   2.763   8.229   6.508
  137    HD1  HIS  17           HD1      HIS  17   3.270  10.524   8.179
  138    HD2  HIS  17           HD2      HIS  17   6.095   9.314   5.381
  139    HE1  HIS  17           HE1      HIS  17   5.449  11.511   8.953
  140    HE2  HIS  17           HE2      HIS  17   7.120  10.859   7.183
  141    H    LEU  18           H        LEU  18   1.473   9.030   3.269
  142    HA   LEU  18           HA       LEU  18  -0.221   6.845   3.660
  143   1HB   LEU  18          1HB       LEU  18  -0.915   9.076   2.874
  144   2HB   LEU  18          2HB       LEU  18  -0.168   8.756   1.329
  145    HG   LEU  18           HG       LEU  18  -2.287   6.920   2.358
  146   1HD1  LEU  18          1HD1      LEU  18  -3.850   8.409   0.961
  147   2HD1  LEU  18          2HD1      LEU  18  -2.631   9.659   1.226
  148   3HD1  LEU  18          3HD1      LEU  18  -3.441   8.916   2.600
  149   1HD2  LEU  18          1HD2      LEU  18  -2.608   7.298  -0.333
  150   2HD2  LEU  18          2HD2      LEU  18  -1.728   5.967   0.426
  151   3HD2  LEU  18          3HD2      LEU  18  -0.858   7.398  -0.133
  152    H    THR  19           H        THR  19   1.916   7.636   0.929
  153    HA   THR  19           HA       THR  19   1.283   5.384  -0.605
  154    HB   THR  19           HB       THR  19   3.916   6.880  -0.578
  155    HG1  THR  19           HG1      THR  19   2.669   8.475  -1.149
  156   1HG2  THR  19          1HG2      THR  19   2.584   5.190  -2.670
  157   2HG2  THR  19          2HG2      THR  19   4.177   4.975  -1.945
  158   3HG2  THR  19          3HG2      THR  19   3.877   6.334  -3.027
  159    H    LEU  20           H        LEU  20   3.482   5.868   2.081
  160    HA   LEU  20           HA       LEU  20   5.055   3.550   1.810
  161   1HB   LEU  20          1HB       LEU  20   5.284   5.576   3.427
  162   2HB   LEU  20          2HB       LEU  20   4.226   4.655   4.479
  163    HG   LEU  20           HG       LEU  20   5.999   2.753   4.118
  164   1HD1  LEU  20          1HD1      LEU  20   7.285   3.936   2.415
  165   2HD1  LEU  20          2HD1      LEU  20   8.264   3.619   3.848
  166   3HD1  LEU  20          3HD1      LEU  20   7.619   5.235   3.562
  167   1HD2  LEU  20          1HD2      LEU  20   6.383   5.167   5.881
  168   2HD2  LEU  20          2HD2      LEU  20   7.282   3.660   6.059
  169   3HD2  LEU  20          3HD2      LEU  20   5.531   3.674   6.275
  170    H    HIS  21           H        HIS  21   1.839   4.107   3.075
  171    HA   HIS  21           HA       HIS  21   1.431   1.673   4.418
  172   1HB   HIS  21          1HB       HIS  21  -0.525   2.673   4.871
  173   2HB   HIS  21          2HB       HIS  21  -0.052   4.009   3.863
  174    HD1  HIS  21           HD1      HIS  21  -2.059   4.595   2.493
  175    HD2  HIS  21           HD2      HIS  21  -1.490   0.501   2.735
  176    HE1  HIS  21           HE1      HIS  21  -3.901   3.528   1.136
  177    H    ILE  22           H        ILE  22   0.723   2.705   1.135
  178    HA   ILE  22           HA       ILE  22  -0.534   0.359   0.287
  179    HB   ILE  22           HB       ILE  22   0.959   2.189  -1.581
  180   1HG1  ILE  22          1HG1      ILE  22  -1.886   2.719  -0.935
  181   2HG1  ILE  22          2HG1      ILE  22  -0.732   3.175   0.295
  182   1HG2  ILE  22          1HG2      ILE  22  -0.494  -0.059  -2.087
  183   2HG2  ILE  22          2HG2      ILE  22  -0.284   1.272  -3.224
  184   3HG2  ILE  22          3HG2      ILE  22  -1.730   1.193  -2.215
  185   1HD1  ILE  22          1HD1      ILE  22   0.398   4.203  -1.952
  186   2HD1  ILE  22          2HD1      ILE  22  -0.623   5.085  -0.816
  187   3HD1  ILE  22          3HD1      ILE  22  -1.325   4.389  -2.275
  188    H    LEU  23           H        LEU  23   2.636   0.559   1.213
  189    HA   LEU  23           HA       LEU  23   3.886  -1.040  -0.781
  190   1HB   LEU  23          1HB       LEU  23   4.729   0.372   1.452
  191   2HB   LEU  23          2HB       LEU  23   5.009  -1.302   1.879
  192    HG   LEU  23           HG       LEU  23   6.259  -1.516  -0.327
  193   1HD1  LEU  23          1HD1      LEU  23   5.385   0.499  -1.388
  194   2HD1  LEU  23          2HD1      LEU  23   7.143   0.557  -1.270
  195   3HD1  LEU  23          3HD1      LEU  23   6.154   1.494  -0.150
  196   1HD2  LEU  23          1HD2      LEU  23   7.414   0.386   1.706
  197   2HD2  LEU  23          2HD2      LEU  23   8.302  -0.683   0.620
  198   3HD2  LEU  23          3HD2      LEU  23   7.315  -1.361   1.915
  199    H    LEU  24           H        LEU  24   2.074  -1.710   2.175
  200    HA   LEU  24           HA       LEU  24   2.730  -4.486   2.271
  201   1HB   LEU  24          1HB       LEU  24   0.504  -4.531   3.679
  202   2HB   LEU  24          2HB       LEU  24   2.013  -3.932   4.328
  203    HG   LEU  24           HG       LEU  24   1.211  -1.610   3.733
  204   1HD1  LEU  24          1HD1      LEU  24  -1.387  -3.095   3.348
  205   2HD1  LEU  24          2HD1      LEU  24  -0.522  -2.154   2.135
  206   3HD1  LEU  24          3HD1      LEU  24  -1.245  -1.346   3.524
  207   1HD2  LEU  24          1HD2      LEU  24   0.319  -1.373   5.811
  208   2HD2  LEU  24          2HD2      LEU  24   1.049  -2.971   5.970
  209   3HD2  LEU  24          3HD2      LEU  24  -0.681  -2.819   5.667
  210    H    HIS  25           H        HIS  25   0.472  -2.676   0.389
  211    HA   HIS  25           HA       HIS  25  -1.542  -4.537  -0.073
  212   1HB   HIS  25          1HB       HIS  25  -0.446  -2.213  -1.543
  213   2HB   HIS  25          2HB       HIS  25  -1.365  -3.364  -2.507
  214    HD1  HIS  25           HD1      HIS  25  -3.812  -3.992  -1.118
  215    HD2  HIS  25           HD2      HIS  25  -2.022  -0.276  -0.611
  216    HE1  HIS  25           HE1      HIS  25  -5.620  -2.437  -0.272
  217    H    GLU  26           H        GLU  26   1.666  -4.277  -1.529
  218    HA   GLU  26           HA       GLU  26   1.275  -6.266  -3.517
  219   1HB   GLU  26          1HB       GLU  26   3.217  -4.419  -3.011
  220   2HB   GLU  26          2HB       GLU  26   4.018  -5.897  -2.497
  221   1HG   GLU  26          1HG       GLU  26   2.739  -5.494  -5.191
  222   2HG   GLU  26          2HG       GLU  26   4.457  -5.285  -4.851
  223    H    ASN  27           H        ASN  27   2.773  -6.352  -0.283
  224    HA   ASN  27           HA       ASN  27   2.589  -9.293  -0.370
  225   1HB   ASN  27          1HB       ASN  27   4.434  -9.083   1.484
  226   2HB   ASN  27          2HB       ASN  27   4.878  -8.973  -0.215
  227   1HD2  ASN  27          1HD2      ASN  27   5.578  -7.026  -1.049
  228   2HD2  ASN  27          2HD2      ASN  27   5.970  -5.671  -0.053
  229    H    LYS  28           H        LYS  28   0.762  -9.773   0.690
  230    HA   LYS  28           HA       LYS  28   0.079  -8.332   3.142
  231   1HB   LYS  28          1HB       LYS  28  -1.484 -10.352   1.523
  232   2HB   LYS  28          2HB       LYS  28  -2.078  -9.556   2.974
  233   1HG   LYS  28          1HG       LYS  28  -1.539  -7.371   1.659
  234   2HG   LYS  28          2HG       LYS  28  -1.613  -8.432   0.252
  235   1HD   LYS  28          1HD       LYS  28  -3.802  -8.313   2.313
  236   2HD   LYS  28          2HD       LYS  28  -3.768  -7.256   0.900
  237   1HE   LYS  28          1HE       LYS  28  -3.567  -9.380  -0.487
  238   2HE   LYS  28          2HE       LYS  28  -3.991 -10.255   0.984
  239   1HZ   LYS  28          1HZ       LYS  28  -5.645  -8.199  -0.380
  240   2HZ   LYS  28          2HZ       LYS  28  -6.047  -8.941   1.086
  241   3HZ   LYS  28          3HZ       LYS  28  -5.949  -9.863  -0.329
  242    H    LYS  29           H        LYS  29  -0.898  -9.713   4.933
  243    HA   LYS  29           HA       LYS  29   1.085 -11.523   5.865
  244   1HB   LYS  29          1HB       LYS  29  -0.797  -9.995   7.085
  245   2HB   LYS  29          2HB       LYS  29  -1.562 -11.575   7.183
  246   1HG   LYS  29          1HG       LYS  29   1.234 -11.673   7.943
  247   2HG   LYS  29          2HG       LYS  29   0.312 -10.534   8.925
  248   1HD   LYS  29          1HD       LYS  29  -1.403 -12.589   8.932
  249   2HD   LYS  29          2HD       LYS  29   0.104 -13.483   8.728
  250   1HE   LYS  29          1HE       LYS  29  -0.024 -13.400  11.015
  251   2HE   LYS  29          2HE       LYS  29   0.912 -11.941  10.694
  252   1HZ   LYS  29          1HZ       LYS  29  -2.011 -12.077  11.210
  253   2HZ   LYS  29          2HZ       LYS  29  -1.167 -10.667  10.811
  254   3HZ   LYS  29          3HZ       LYS  29  -0.832 -11.472  12.261
  Start of MODEL   48
    1    H    TYR   1           H        TYR   1  -9.164  14.309   5.954
    2    HA   TYR   1           HA       TYR   1  -7.524  12.021   5.101
    3   1HB   TYR   1          1HB       TYR   1  -9.843  11.475   3.951
    4   2HB   TYR   1          2HB       TYR   1  -9.499  10.940   5.588
    5    HD1  TYR   1           HD1      TYR   1 -11.443  13.279   3.534
    6    HD2  TYR   1           HD2      TYR   1 -10.663  11.902   7.483
    7    HE1  TYR   1           HE1      TYR   1 -13.474  14.415   4.325
    8    HE2  TYR   1           HE2      TYR   1 -12.692  13.033   8.285
    9    HH   TYR   1           HH       TYR   1 -15.084  13.820   6.769
   10    H    LYS   2           H        LYS   2  -6.242  13.212   3.735
   11    HA   LYS   2           HA       LYS   2  -7.518  14.959   1.769
   12   1HB   LYS   2          1HB       LYS   2  -5.371  15.527   3.107
   13   2HB   LYS   2          2HB       LYS   2  -4.561  14.462   1.966
   14   1HG   LYS   2          1HG       LYS   2  -4.277  16.574   1.049
   15   2HG   LYS   2          2HG       LYS   2  -5.640  15.911   0.145
   16   1HD   LYS   2          1HD       LYS   2  -6.478  17.980   0.651
   17   2HD   LYS   2          2HD       LYS   2  -7.029  17.081   2.065
   18   1HE   LYS   2          1HE       LYS   2  -6.091  18.887   3.101
   19   2HE   LYS   2          2HE       LYS   2  -4.684  17.828   3.020
   20   1HZ   LYS   2          1HZ       LYS   2  -5.328  20.016   1.115
   21   2HZ   LYS   2          2HZ       LYS   2  -3.991  18.986   1.003
   22   3HZ   LYS   2          3HZ       LYS   2  -4.126  20.055   2.306
   23    H    PHE   3           H        PHE   3  -5.315  12.153   1.850
   24    HA   PHE   3           HA       PHE   3  -5.837  11.694  -0.998
   25   1HB   PHE   3          1HB       PHE   3  -3.603  11.143   0.826
   26   2HB   PHE   3          2HB       PHE   3  -3.990   9.818  -0.255
   27    HD1  PHE   3           HD1      PHE   3  -3.850  10.130  -2.700
   28    HD2  PHE   3           HD2      PHE   3  -2.603  13.146   0.031
   29    HE1  PHE   3           HE1      PHE   3  -2.599  11.240  -4.503
   30    HE2  PHE   3           HE2      PHE   3  -1.351  14.263  -1.769
   31    HZ   PHE   3           HZ       PHE   3  -1.348  13.310  -4.039
   32    H    ALA   4           H        ALA   4  -5.823   9.271  -1.590
   33    HA   ALA   4           HA       ALA   4  -7.131   7.534   0.329
   34   1HB   ALA   4          1HB       ALA   4  -9.075   7.104  -1.113
   35   2HB   ALA   4          2HB       ALA   4  -8.536   8.382  -2.201
   36   3HB   ALA   4          3HB       ALA   4  -9.023   8.775  -0.553
   37    H    CYS   5           H        CYS   5  -6.847   5.374  -0.124
   38    HA   CYS   5           HA       CYS   5  -4.883   4.725  -2.124
   39   1HB   CYS   5          1HB       CYS   5  -5.032   3.680   0.186
   40   2HB   CYS   5          2HB       CYS   5  -6.419   2.778  -0.400
   41    HG   CYS   5           HG       CYS   5  -3.911   1.604  -0.585
   42    HA   PRO   6           HA       PRO   6  -7.764   3.576  -5.308
   43   1HB   PRO   6          1HB       PRO   6  -6.092   2.217  -6.932
   44   2HB   PRO   6          2HB       PRO   6  -6.021   3.975  -6.763
   45   1HG   PRO   6          1HG       PRO   6  -4.310   1.877  -5.482
   46   2HG   PRO   6          2HG       PRO   6  -3.832   3.423  -6.206
   47   1HD   PRO   6          1HD       PRO   6  -4.112   3.053  -3.522
   48   2HD   PRO   6          2HD       PRO   6  -4.377   4.617  -4.321
   49    H    GLU   7           H        GLU   7  -6.081   1.293  -3.327
   50    HA   GLU   7           HA       GLU   7  -7.643  -0.946  -4.393
   51   1HB   GLU   7          1HB       GLU   7  -4.981  -0.717  -3.449
   52   2HB   GLU   7          2HB       GLU   7  -5.845  -1.731  -2.302
   53   1HG   GLU   7          1HG       GLU   7  -6.541  -2.555  -4.932
   54   2HG   GLU   7          2HG       GLU   7  -4.786  -2.429  -4.825
   55    H    CYS   8           H        CYS   8  -6.906   0.749  -1.351
   56    HA   CYS   8           HA       CYS   8  -9.311  -0.494  -0.176
   57   1HB   CYS   8          1HB       CYS   8  -8.234  -0.440   1.994
   58   2HB   CYS   8          2HB       CYS   8  -7.217  -1.308   0.854
   59    HG   CYS   8           HG       CYS   8  -5.483   0.486   0.987
   60    HA   PRO   9           HA       PRO   9 -10.637   3.604   0.812
   61   1HB   PRO   9          1HB       PRO   9 -12.256   3.187   2.892
   62   2HB   PRO   9          2HB       PRO   9 -12.579   2.454   1.317
   63   1HG   PRO   9          1HG       PRO   9 -11.489   1.219   3.794
   64   2HG   PRO   9          2HG       PRO   9 -12.531   0.512   2.548
   65   1HD   PRO   9          1HD       PRO   9  -9.729   0.220   2.778
   66   2HD   PRO   9          2HD       PRO   9 -10.735  -0.270   1.405
   67    H    LYS  10           H        LYS  10  -7.969   3.207   1.951
   68    HA   LYS  10           HA       LYS  10  -8.122   4.274   4.643
   69   1HB   LYS  10          1HB       LYS  10  -5.671   3.792   2.933
   70   2HB   LYS  10          2HB       LYS  10  -5.685   4.173   4.630
   71   1HG   LYS  10          1HG       LYS  10  -7.096   1.745   3.625
   72   2HG   LYS  10          2HG       LYS  10  -5.357   1.731   3.920
   73   1HD   LYS  10          1HD       LYS  10  -6.696   2.930   6.151
   74   2HD   LYS  10          2HD       LYS  10  -7.441   1.373   5.786
   75   1HE   LYS  10          1HE       LYS  10  -5.214   0.323   5.833
   76   2HE   LYS  10          2HE       LYS  10  -4.505   1.881   6.258
   77   1HZ   LYS  10          1HZ       LYS  10  -4.848   0.487   8.205
   78   2HZ   LYS  10          2HZ       LYS  10  -6.505   0.398   7.882
   79   3HZ   LYS  10          3HZ       LYS  10  -5.802   1.881   8.294
   80    H    ARG  11           H        ARG  11  -7.102   6.261   5.262
   81    HA   ARG  11           HA       ARG  11  -6.739   8.254   3.146
   82   1HB   ARG  11          1HB       ARG  11  -8.120   9.875   4.539
   83   2HB   ARG  11          2HB       ARG  11  -9.011   8.643   3.659
   84   1HG   ARG  11          1HG       ARG  11  -8.242   8.090   6.480
   85   2HG   ARG  11          2HG       ARG  11  -9.562   9.216   6.165
   86   1HD   ARG  11          1HD       ARG  11  -9.845   6.873   4.524
   87   2HD   ARG  11          2HD       ARG  11  -9.665   6.410   6.216
   88    HE   ARG  11           HE       ARG  11 -11.558   8.528   5.834
   89   1HH1  ARG  11          1HH1      ARG  11 -11.148   5.051   5.745
   90   2HH1  ARG  11          2HH1      ARG  11 -12.822   4.724   6.042
   91   1HH2  ARG  11          1HH2      ARG  11 -13.762   8.088   6.224
   92   2HH2  ARG  11          2HH2      ARG  11 -14.305   6.446   6.312
   93    H    PHE  12           H        PHE  12  -5.079   9.614   3.532
   94    HA   PHE  12           HA       PHE  12  -4.072   9.838   6.286
   95   1HB   PHE  12          1HB       PHE  12  -2.301   9.405   3.906
   96   2HB   PHE  12          2HB       PHE  12  -1.794   9.486   5.577
   97    HD1  PHE  12           HD1      PHE  12  -4.271   7.553   3.559
   98    HD2  PHE  12           HD2      PHE  12  -1.203   7.458   6.504
   99    HE1  PHE  12           HE1      PHE  12  -4.493   5.126   3.696
  100    HE2  PHE  12           HE2      PHE  12  -1.427   5.008   6.648
  101    HZ   PHE  12           HZ       PHE  12  -3.075   3.840   5.226
  102    H    MET  13           H        MET  13  -2.854  11.706   6.759
  103    HA   MET  13           HA       MET  13  -3.670  14.028   5.269
  104   1HB   MET  13          1HB       MET  13  -1.849  13.765   7.670
  105   2HB   MET  13          2HB       MET  13  -2.435  15.285   7.012
  106   1HG   MET  13          1HG       MET  13  -4.733  14.607   7.511
  107   2HG   MET  13          2HG       MET  13  -4.133  13.095   8.188
  108   1HE   MET  13          1HE       MET  13  -5.929  15.520   9.040
  109   2HE   MET  13          2HE       MET  13  -4.966  16.943   9.438
  110   3HE   MET  13          3HE       MET  13  -5.574  15.902  10.726
  111    H    ARG  14           H        ARG  14  -0.774  12.082   5.549
  112    HA   ARG  14           HA       ARG  14   0.765  14.014   3.968
  113   1HB   ARG  14          1HB       ARG  14   1.567  11.542   5.503
  114   2HB   ARG  14          2HB       ARG  14   2.667  12.391   4.433
  115   1HG   ARG  14          1HG       ARG  14   3.184  13.223   6.535
  116   2HG   ARG  14          2HG       ARG  14   2.142  14.466   5.841
  117   1HD   ARG  14          1HD       ARG  14   1.597  13.949   8.196
  118   2HD   ARG  14          2HD       ARG  14   0.252  13.648   7.093
  119    HE   ARG  14           HE       ARG  14   1.744  11.277   7.483
  120   1HH1  ARG  14          1HH1      ARG  14  -0.508  13.376   9.146
  121   2HH1  ARG  14          2HH1      ARG  14  -1.148  12.109  10.137
  122   1HH2  ARG  14          1HH2      ARG  14   0.900   9.610   8.792
  123   2HH2  ARG  14          2HH2      ARG  14  -0.347   9.971   9.938
  124    H    SER  15           H        SER  15   2.006  13.240   2.131
  125    HA   SER  15           HA       SER  15   0.465  11.345   0.539
  126   1HB   SER  15          1HB       SER  15   0.834  12.915  -0.975
  127   2HB   SER  15          2HB       SER  15   2.113  13.671  -0.027
  128    HG   SER  15           HG       SER  15   3.571  12.599  -1.137
  129    H    ASP  16           H        ASP  16   3.794  11.880   1.632
  130    HA   ASP  16           HA       ASP  16   4.880   9.534   0.469
  131   1HB   ASP  16          1HB       ASP  16   6.643   9.932   2.419
  132   2HB   ASP  16          2HB       ASP  16   6.588  10.976   1.007
  133    H    HIS  17           H        HIS  17   3.768  10.254   3.774
  134    HA   HIS  17           HA       HIS  17   4.307   7.726   4.873
  135   1HB   HIS  17          1HB       HIS  17   2.384   9.917   5.614
  136   2HB   HIS  17          2HB       HIS  17   2.433   8.406   6.508
  137    HD1  HIS  17           HD1      HIS  17   3.162   9.956   8.550
  138    HD2  HIS  17           HD2      HIS  17   5.905   9.646   5.442
  139    HE1  HIS  17           HE1      HIS  17   5.331  10.803   9.481
  140    HE2  HIS  17           HE2      HIS  17   6.957  10.691   7.562
  141    H    LEU  18           H        LEU  18   1.398   9.013   3.286
  142    HA   LEU  18           HA       LEU  18  -0.284   6.817   3.701
  143   1HB   LEU  18          1HB       LEU  18  -0.914   9.065   2.783
  144   2HB   LEU  18          2HB       LEU  18  -0.226   8.576   1.257
  145    HG   LEU  18           HG       LEU  18  -2.345   6.889   2.503
  146   1HD1  LEU  18          1HD1      LEU  18  -3.915   8.321   1.012
  147   2HD1  LEU  18          2HD1      LEU  18  -2.685   9.565   1.245
  148   3HD1  LEU  18          3HD1      LEU  18  -3.507   8.870   2.636
  149   1HD2  LEU  18          1HD2      LEU  18  -2.777   7.067  -0.189
  150   2HD2  LEU  18          2HD2      LEU  18  -1.881   5.785   0.630
  151   3HD2  LEU  18          3HD2      LEU  18  -1.019   7.156  -0.073
  152    H    THR  19           H        THR  19   1.962   7.545   1.040
  153    HA   THR  19           HA       THR  19   1.398   5.275  -0.487
  154    HB   THR  19           HB       THR  19   3.999   6.817  -0.315
  155    HG1  THR  19           HG1      THR  19   1.745   7.148  -2.006
  156   1HG2  THR  19          1HG2      THR  19   4.467   4.827  -1.508
  157   2HG2  THR  19          2HG2      THR  19   4.256   6.107  -2.701
  158   3HG2  THR  19          3HG2      THR  19   2.962   4.942  -2.420
  159    H    LEU  20           H        LEU  20   3.487   5.771   2.295
  160    HA   LEU  20           HA       LEU  20   5.031   3.432   2.138
  161   1HB   LEU  20          1HB       LEU  20   5.325   5.388   3.726
  162   2HB   LEU  20          2HB       LEU  20   4.029   4.704   4.686
  163    HG   LEU  20           HG       LEU  20   6.153   2.780   4.108
  164   1HD1  LEU  20          1HD1      LEU  20   7.540   4.786   4.214
  165   2HD1  LEU  20          2HD1      LEU  20   7.795   3.757   5.623
  166   3HD1  LEU  20          3HD1      LEU  20   6.811   5.214   5.761
  167   1HD2  LEU  20          1HD2      LEU  20   5.924   2.332   6.480
  168   2HD2  LEU  20          2HD2      LEU  20   4.334   2.435   5.724
  169   3HD2  LEU  20          3HD2      LEU  20   4.944   3.784   6.681
  170    H    HIS  21           H        HIS  21   1.781   4.040   3.344
  171    HA   HIS  21           HA       HIS  21   1.315   1.554   4.574
  172   1HB   HIS  21          1HB       HIS  21  -0.621   2.560   5.092
  173   2HB   HIS  21          2HB       HIS  21  -0.099   3.953   4.190
  174    HD1  HIS  21           HD1      HIS  21  -2.046   4.712   2.828
  175    HD2  HIS  21           HD2      HIS  21  -1.674   0.594   2.819
  176    HE1  HIS  21           HE1      HIS  21  -3.920   3.816   1.400
  177    H    ILE  22           H        ILE  22   0.479   2.783   1.374
  178    HA   ILE  22           HA       ILE  22  -0.861   0.578   0.402
  179    HB   ILE  22           HB       ILE  22   0.815   2.371  -1.346
  180   1HG1  ILE  22          1HG1      ILE  22  -2.034   2.983  -0.780
  181   2HG1  ILE  22          2HG1      ILE  22  -0.894   3.369   0.488
  182   1HG2  ILE  22          1HG2      ILE  22  -0.470   0.266  -2.192
  183   2HG2  ILE  22          2HG2      ILE  22  -0.615   1.786  -3.074
  184   3HG2  ILE  22          3HG2      ILE  22  -1.897   1.280  -1.970
  185   1HD1  ILE  22          1HD1      ILE  22  -0.489   5.258  -0.546
  186   2HD1  ILE  22          2HD1      ILE  22  -1.488   4.775  -1.914
  187   3HD1  ILE  22          3HD1      ILE  22   0.221   4.346  -1.875
  188    H    LEU  23           H        LEU  23   2.500   0.780   1.044
  189    HA   LEU  23           HA       LEU  23   3.501  -1.022  -0.870
  190   1HB   LEU  23          1HB       LEU  23   4.403   0.107   1.678
  191   2HB   LEU  23          2HB       LEU  23   5.007  -1.512   1.385
  192    HG   LEU  23           HG       LEU  23   5.822  -0.677  -0.864
  193   1HD1  LEU  23          1HD1      LEU  23   6.152   1.741  -1.079
  194   2HD1  LEU  23          2HD1      LEU  23   5.227   1.995   0.401
  195   3HD1  LEU  23          3HD1      LEU  23   4.441   1.316  -1.025
  196   1HD2  LEU  23          1HD2      LEU  23   7.263  -1.029   1.126
  197   2HD2  LEU  23          2HD2      LEU  23   7.020   0.664   1.555
  198   3HD2  LEU  23          3HD2      LEU  23   7.841   0.245   0.052
  199    H    LEU  24           H        LEU  24   1.507  -1.494   1.935
  200    HA   LEU  24           HA       LEU  24   2.050  -4.165   2.582
  201   1HB   LEU  24          1HB       LEU  24  -0.685  -2.885   2.638
  202   2HB   LEU  24          2HB       LEU  24  -0.132  -4.238   3.601
  203    HG   LEU  24           HG       LEU  24   1.362  -1.710   3.963
  204   1HD1  LEU  24          1HD1      LEU  24  -1.105  -1.081   3.730
  205   2HD1  LEU  24          2HD1      LEU  24  -0.285  -0.588   5.211
  206   3HD1  LEU  24          3HD1      LEU  24  -1.355  -1.989   5.223
  207   1HD2  LEU  24          1HD2      LEU  24   1.304  -2.422   6.289
  208   2HD2  LEU  24          2HD2      LEU  24   1.848  -3.740   5.251
  209   3HD2  LEU  24          3HD2      LEU  24   0.199  -3.734   5.876
  210    H    HIS  25           H        HIS  25  -0.282  -2.782   0.289
  211    HA   HIS  25           HA       HIS  25  -1.510  -5.100  -0.596
  212   1HB   HIS  25          1HB       HIS  25  -0.884  -2.622  -2.219
  213   2HB   HIS  25          2HB       HIS  25  -2.093  -3.836  -2.623
  214    HD1  HIS  25           HD1      HIS  25  -3.984  -4.107  -0.535
  215    HD2  HIS  25           HD2      HIS  25  -1.921  -0.520  -0.927
  216    HE1  HIS  25           HE1      HIS  25  -5.327  -2.370   0.719
  217    H    GLU  26           H        GLU  26   1.384  -3.511  -1.949
  218    HA   GLU  26           HA       GLU  26   1.801  -5.537  -3.927
  219   1HB   GLU  26          1HB       GLU  26   3.615  -3.354  -2.885
  220   2HB   GLU  26          2HB       GLU  26   4.017  -4.409  -4.233
  221   1HG   GLU  26          1HG       GLU  26   1.963  -3.578  -5.388
  222   2HG   GLU  26          2HG       GLU  26   1.785  -2.401  -4.087
  223    H    ASN  27           H        ASN  27   3.643  -4.642  -1.002
  224    HA   ASN  27           HA       ASN  27   4.751  -7.367  -0.941
  225   1HB   ASN  27          1HB       ASN  27   5.790  -4.954   0.555
  226   2HB   ASN  27          2HB       ASN  27   6.602  -6.497   0.313
  227   1HD2  ASN  27          1HD2      ASN  27   5.754  -3.447  -1.098
  228   2HD2  ASN  27          2HD2      ASN  27   6.747  -3.589  -2.503
  229    H    LYS  28           H        LYS  28   3.590  -8.652   0.343
  230    HA   LYS  28           HA       LYS  28   2.240  -7.568   2.686
  231   1HB   LYS  28          1HB       LYS  28   2.172 -10.289   1.377
  232   2HB   LYS  28          2HB       LYS  28   1.302  -9.902   2.856
  233   1HG   LYS  28          1HG       LYS  28  -0.276  -8.698   1.779
  234   2HG   LYS  28          2HG       LYS  28   0.855  -8.091   0.569
  235   1HD   LYS  28          1HD       LYS  28   0.816 -10.710  -0.081
  236   2HD   LYS  28          2HD       LYS  28  -0.818 -10.522   0.557
  237   1HE   LYS  28          1HE       LYS  28  -1.212  -8.668  -0.982
  238   2HE   LYS  28          2HE       LYS  28   0.428  -8.829  -1.607
  239   1HZ   LYS  28          1HZ       LYS  28  -0.126 -11.046  -2.390
  240   2HZ   LYS  28          2HZ       LYS  28  -1.181  -9.902  -3.051
  241   3HZ   LYS  28          3HZ       LYS  28  -1.699 -10.896  -1.785
  242    H    LYS  29           H        LYS  29   2.789  -7.958   4.763
  243    HA   LYS  29           HA       LYS  29   5.326  -9.348   5.225
  244   1HB   LYS  29          1HB       LYS  29   5.217  -8.242   7.481
  245   2HB   LYS  29          2HB       LYS  29   5.330  -7.140   6.118
  246   1HG   LYS  29          1HG       LYS  29   3.274  -6.267   6.472
  247   2HG   LYS  29          2HG       LYS  29   2.606  -7.787   7.069
  248   1HD   LYS  29          1HD       LYS  29   2.789  -6.978   9.134
  249   2HD   LYS  29          2HD       LYS  29   4.543  -7.027   8.944
  250   1HE   LYS  29          1HE       LYS  29   4.443  -4.755   7.947
  251   2HE   LYS  29          2HE       LYS  29   2.716  -4.716   8.293
  252   1HZ   LYS  29          1HZ       LYS  29   3.227  -4.957  10.649
  253   2HZ   LYS  29          2HZ       LYS  29   3.972  -3.582  10.006
  254   3HZ   LYS  29          3HZ       LYS  29   4.884  -4.973  10.307
  Start of MODEL   49
    1    H    TYR   1           H        TYR   1  -9.320  13.911   6.595
    2    HA   TYR   1           HA       TYR   1  -7.954  11.649   5.310
    3   1HB   TYR   1          1HB       TYR   1 -10.703  12.741   4.742
    4   2HB   TYR   1          2HB       TYR   1 -10.080  11.122   4.452
    5    HD1  TYR   1           HD1      TYR   1 -12.112  13.080   6.537
    6    HD2  TYR   1           HD2      TYR   1  -9.410   9.797   6.651
    7    HE1  TYR   1           HE1      TYR   1 -13.118  12.333   8.652
    8    HE2  TYR   1           HE2      TYR   1 -10.408   9.040   8.764
    9    HH   TYR   1           HH       TYR   1 -11.947  10.656  10.755
   10    H    LYS   2           H        LYS   2  -6.370  12.768   4.152
   11    HA   LYS   2           HA       LYS   2  -7.226  14.940   2.395
   12   1HB   LYS   2          1HB       LYS   2  -5.012  14.772   3.862
   13   2HB   LYS   2          2HB       LYS   2  -4.411  13.970   2.417
   14   1HG   LYS   2          1HG       LYS   2  -5.763  16.320   1.597
   15   2HG   LYS   2          2HG       LYS   2  -4.690  16.747   2.931
   16   1HD   LYS   2          1HD       LYS   2  -3.390  16.994   0.983
   17   2HD   LYS   2          2HD       LYS   2  -2.881  15.460   1.692
   18   1HE   LYS   2          1HE       LYS   2  -3.137  15.204  -0.696
   19   2HE   LYS   2          2HE       LYS   2  -4.383  14.275   0.134
   20   1HZ   LYS   2          1HZ       LYS   2  -4.893  17.011  -0.873
   21   2HZ   LYS   2          2HZ       LYS   2  -6.017  15.819  -0.453
   22   3HZ   LYS   2          3HZ       LYS   2  -5.091  15.648  -1.858
   23    H    PHE   3           H        PHE   3  -5.362  11.897   2.083
   24    HA   PHE   3           HA       PHE   3  -6.100  11.821  -0.758
   25   1HB   PHE   3          1HB       PHE   3  -3.742  10.962   0.783
   26   2HB   PHE   3          2HB       PHE   3  -4.286   9.807  -0.418
   27    HD1  PHE   3           HD1      PHE   3  -4.874  10.947  -2.778
   28    HD2  PHE   3           HD2      PHE   3  -2.172  12.488   0.128
   29    HE1  PHE   3           HE1      PHE   3  -3.722  12.230  -4.533
   30    HE2  PHE   3           HE2      PHE   3  -1.017  13.776  -1.622
   31    HZ   PHE   3           HZ       PHE   3  -1.793  13.648  -3.956
   32    H    ALA   4           H        ALA   4  -6.169   9.422  -1.578
   33    HA   ALA   4           HA       ALA   4  -7.540   7.638   0.276
   34   1HB   ALA   4          1HB       ALA   4  -8.817   8.592  -2.286
   35   2HB   ALA   4          2HB       ALA   4  -9.353   8.970  -0.648
   36   3HB   ALA   4          3HB       ALA   4  -9.440   7.312  -1.243
   37    H    CYS   5           H        CYS   5  -6.946   5.574  -0.057
   38    HA   CYS   5           HA       CYS   5  -5.063   4.917  -2.081
   39   1HB   CYS   5          1HB       CYS   5  -5.344   3.858   0.254
   40   2HB   CYS   5          2HB       CYS   5  -6.600   2.879  -0.487
   41    HG   CYS   5           HG       CYS   5  -4.771   1.374  -1.086
   42    HA   PRO   6           HA       PRO   6  -7.877   3.818  -5.340
   43   1HB   PRO   6          1HB       PRO   6  -6.161   2.474  -6.942
   44   2HB   PRO   6          2HB       PRO   6  -6.118   4.233  -6.766
   45   1HG   PRO   6          1HG       PRO   6  -4.403   2.155  -5.461
   46   2HG   PRO   6          2HG       PRO   6  -3.932   3.710  -6.170
   47   1HD   PRO   6          1HD       PRO   6  -4.247   3.333  -3.496
   48   2HD   PRO   6          2HD       PRO   6  -4.542   4.892  -4.295
   49    H    GLU   7           H        GLU   7  -6.097   1.462  -3.483
   50    HA   GLU   7           HA       GLU   7  -7.703  -0.739  -4.552
   51   1HB   GLU   7          1HB       GLU   7  -5.056  -0.641  -3.967
   52   2HB   GLU   7          2HB       GLU   7  -5.688  -1.287  -2.460
   53   1HG   GLU   7          1HG       GLU   7  -6.572  -2.518  -5.019
   54   2HG   GLU   7          2HG       GLU   7  -4.946  -2.858  -4.428
   55    H    CYS   8           H        CYS   8  -6.863   0.785  -1.436
   56    HA   CYS   8           HA       CYS   8  -9.244  -0.508  -0.264
   57   1HB   CYS   8          1HB       CYS   8  -8.148  -0.551   1.854
   58   2HB   CYS   8          2HB       CYS   8  -7.022  -1.203   0.677
   59    HG   CYS   8           HG       CYS   8  -5.456   0.641   1.127
   60    HA   PRO   9           HA       PRO   9 -10.705   3.508   0.872
   61   1HB   PRO   9          1HB       PRO   9 -12.225   2.967   2.994
   62   2HB   PRO   9          2HB       PRO   9 -12.567   2.243   1.419
   63   1HG   PRO   9          1HG       PRO   9 -11.321   1.027   3.834
   64   2HG   PRO   9          2HG       PRO   9 -12.371   0.287   2.615
   65   1HD   PRO   9          1HD       PRO   9  -9.549   0.145   2.732
   66   2HD   PRO   9          2HD       PRO   9 -10.580  -0.383   1.393
   67    H    LYS  10           H        LYS  10  -7.988   3.277   1.856
   68    HA   LYS  10           HA       LYS  10  -8.092   4.290   4.586
   69   1HB   LYS  10          1HB       LYS  10  -5.698   3.774   2.815
   70   2HB   LYS  10          2HB       LYS  10  -5.636   4.243   4.486
   71   1HG   LYS  10          1HG       LYS  10  -7.207   1.825   3.904
   72   2HG   LYS  10          2HG       LYS  10  -5.463   1.708   3.665
   73   1HD   LYS  10          1HD       LYS  10  -6.096   3.058   6.142
   74   2HD   LYS  10          2HD       LYS  10  -6.849   1.465   6.072
   75   1HE   LYS  10          1HE       LYS  10  -4.391   0.860   5.156
   76   2HE   LYS  10          2HE       LYS  10  -3.997   2.218   6.209
   77   1HZ   LYS  10          1HZ       LYS  10  -3.884   0.097   7.377
   78   2HZ   LYS  10          2HZ       LYS  10  -5.513  -0.203   7.029
   79   3HZ   LYS  10          3HZ       LYS  10  -5.087   1.090   8.035
   80    H    ARG  11           H        ARG  11  -7.110   6.286   5.182
   81    HA   ARG  11           HA       ARG  11  -6.812   8.279   3.056
   82   1HB   ARG  11          1HB       ARG  11  -8.373   8.844   5.567
   83   2HB   ARG  11          2HB       ARG  11  -8.239   9.840   4.133
   84   1HG   ARG  11          1HG       ARG  11 -10.267   8.987   3.680
   85   2HG   ARG  11          2HG       ARG  11  -9.325   7.635   3.050
   86   1HD   ARG  11          1HD       ARG  11  -9.539   6.476   5.184
   87   2HD   ARG  11          2HD       ARG  11 -10.437   7.838   5.848
   88    HE   ARG  11           HE       ARG  11 -11.418   5.812   4.029
   89   1HH1  ARG  11          1HH1      ARG  11 -11.976   8.974   5.435
   90   2HH1  ARG  11          2HH1      ARG  11 -13.678   8.944   5.124
   91   1HH2  ARG  11          1HH2      ARG  11 -13.660   5.783   3.624
   92   2HH2  ARG  11          2HH2      ARG  11 -14.634   7.134   4.097
   93    H    PHE  12           H        PHE  12  -5.173   9.698   3.391
   94    HA   PHE  12           HA       PHE  12  -4.026   9.924   6.081
   95   1HB   PHE  12          1HB       PHE  12  -2.328   9.439   3.658
   96   2HB   PHE  12          2HB       PHE  12  -1.782   9.535   5.318
   97    HD1  PHE  12           HD1      PHE  12  -4.250   7.588   3.308
   98    HD2  PHE  12           HD2      PHE  12  -1.253   7.532   6.326
   99    HE1  PHE  12           HE1      PHE  12  -4.486   5.163   3.485
  100    HE2  PHE  12           HE2      PHE  12  -1.491   5.087   6.511
  101    HZ   PHE  12           HZ       PHE  12  -3.111   3.899   5.075
  102    H    MET  13           H        MET  13  -2.989  11.843   6.538
  103    HA   MET  13           HA       MET  13  -3.734  14.087   4.907
  104   1HB   MET  13          1HB       MET  13  -2.276  13.781   7.517
  105   2HB   MET  13          2HB       MET  13  -2.348  15.338   6.701
  106   1HG   MET  13          1HG       MET  13  -4.472  15.685   7.292
  107   2HG   MET  13          2HG       MET  13  -4.941  14.020   6.957
  108   1HE   MET  13          1HE       MET  13  -6.313  14.950  10.222
  109   2HE   MET  13          2HE       MET  13  -6.265  13.220   9.885
  110   3HE   MET  13          3HE       MET  13  -6.545  14.365   8.574
  111    H    ARG  14           H        ARG  14  -0.870  12.154   5.352
  112    HA   ARG  14           HA       ARG  14   0.759  14.069   3.842
  113   1HB   ARG  14          1HB       ARG  14   1.469  11.593   5.412
  114   2HB   ARG  14          2HB       ARG  14   2.624  12.442   4.402
  115   1HG   ARG  14          1HG       ARG  14   3.029  13.247   6.548
  116   2HG   ARG  14          2HG       ARG  14   2.065  14.511   5.787
  117   1HD   ARG  14          1HD       ARG  14   1.391  13.965   8.128
  118   2HD   ARG  14          2HD       ARG  14   0.095  13.808   6.940
  119    HE   ARG  14           HE       ARG  14   1.385  11.318   7.320
  120   1HH1  ARG  14          1HH1      ARG  14  -0.819  13.513   8.929
  121   2HH1  ARG  14          2HH1      ARG  14  -1.609  12.258   9.821
  122   1HH2  ARG  14          1HH2      ARG  14   0.347   9.673   8.501
  123   2HH2  ARG  14          2HH2      ARG  14  -0.947  10.076   9.579
  124    H    SER  15           H        SER  15   2.078  13.276   2.065
  125    HA   SER  15           HA       SER  15   0.583  11.396   0.411
  126   1HB   SER  15          1HB       SER  15   1.181  12.671  -1.286
  127   2HB   SER  15          2HB       SER  15   1.901  13.789  -0.132
  128    HG   SER  15           HG       SER  15   3.852  13.070  -0.629
  129    H    ASP  16           H        ASP  16   3.885  11.859   1.652
  130    HA   ASP  16           HA       ASP  16   4.907   9.467   0.496
  131   1HB   ASP  16          1HB       ASP  16   6.900   9.866   1.781
  132   2HB   ASP  16          2HB       ASP  16   6.326  11.408   1.164
  133    H    HIS  17           H        HIS  17   3.583  10.271   3.686
  134    HA   HIS  17           HA       HIS  17   4.165   7.786   4.914
  135   1HB   HIS  17          1HB       HIS  17   2.140   9.937   5.509
  136   2HB   HIS  17          2HB       HIS  17   2.238   8.464   6.460
  137    HD1  HIS  17           HD1      HIS  17   2.802  10.183   8.443
  138    HD2  HIS  17           HD2      HIS  17   5.691   9.777   5.484
  139    HE1  HIS  17           HE1      HIS  17   4.899  11.162   9.412
  140    HE2  HIS  17           HE2      HIS  17   6.661  10.815   7.647
  141    H    LEU  18           H        LEU  18   1.320   9.001   3.172
  142    HA   LEU  18           HA       LEU  18  -0.369   6.810   3.554
  143   1HB   LEU  18          1HB       LEU  18  -0.940   9.039   2.537
  144   2HB   LEU  18          2HB       LEU  18  -0.191   8.491   1.060
  145    HG   LEU  18           HG       LEU  18  -2.378   6.865   2.271
  146   1HD1  LEU  18          1HD1      LEU  18  -3.908   8.228   0.730
  147   2HD1  LEU  18          2HD1      LEU  18  -2.654   9.466   0.828
  148   3HD1  LEU  18          3HD1      LEU  18  -3.469   8.919   2.292
  149   1HD2  LEU  18          1HD2      LEU  18  -2.680   6.973  -0.449
  150   2HD2  LEU  18          2HD2      LEU  18  -1.860   5.695   0.455
  151   3HD2  LEU  18          3HD2      LEU  18  -0.929   7.023  -0.242
  152    H    THR  19           H        THR  19   2.002   7.472   0.991
  153    HA   THR  19           HA       THR  19   1.535   5.151  -0.491
  154    HB   THR  19           HB       THR  19   4.132   6.691  -0.249
  155    HG1  THR  19           HG1      THR  19   1.935   7.052  -2.009
  156   1HG2  THR  19          1HG2      THR  19   4.469   5.967  -2.605
  157   2HG2  THR  19          2HG2      THR  19   3.117   4.853  -2.399
  158   3HG2  THR  19          3HG2      THR  19   4.570   4.667  -1.418
  159    H    LEU  20           H        LEU  20   3.516   5.767   2.352
  160    HA   LEU  20           HA       LEU  20   5.086   3.446   2.355
  161   1HB   LEU  20          1HB       LEU  20   5.249   5.469   3.894
  162   2HB   LEU  20          2HB       LEU  20   3.939   4.761   4.817
  163    HG   LEU  20           HG       LEU  20   6.233   2.969   4.346
  164   1HD1  LEU  20          1HD1      LEU  20   7.391   5.105   4.677
  165   2HD1  LEU  20          2HD1      LEU  20   7.634   4.007   6.036
  166   3HD1  LEU  20          3HD1      LEU  20   6.498   5.349   6.179
  167   1HD2  LEU  20          1HD2      LEU  20   4.438   2.245   5.748
  168   2HD2  LEU  20          2HD2      LEU  20   4.527   3.717   6.715
  169   3HD2  LEU  20          3HD2      LEU  20   5.840   2.541   6.775
  170    H    HIS  21           H        HIS  21   1.769   4.034   3.338
  171    HA   HIS  21           HA       HIS  21   1.276   1.574   4.632
  172   1HB   HIS  21          1HB       HIS  21  -0.666   2.603   5.060
  173   2HB   HIS  21          2HB       HIS  21  -0.128   3.962   4.119
  174    HD1  HIS  21           HD1      HIS  21  -2.044   4.656   2.683
  175    HD2  HIS  21           HD2      HIS  21  -1.656   0.536   2.853
  176    HE1  HIS  21           HE1      HIS  21  -3.888   3.699   1.249
  177    H    ILE  22           H        ILE  22   0.661   2.703   1.353
  178    HA   ILE  22           HA       ILE  22  -0.606   0.386   0.439
  179    HB   ILE  22           HB       ILE  22   0.963   2.200  -1.378
  180   1HG1  ILE  22          1HG1      ILE  22  -1.876   2.811  -0.814
  181   2HG1  ILE  22          2HG1      ILE  22  -0.762   3.204   0.473
  182   1HG2  ILE  22          1HG2      ILE  22  -0.509  -0.003  -1.946
  183   2HG2  ILE  22          2HG2      ILE  22  -0.290   1.351  -3.053
  184   3HG2  ILE  22          3HG2      ILE  22  -1.741   1.254  -2.050
  185   1HD1  ILE  22          1HD1      ILE  22  -0.360   5.095  -0.564
  186   2HD1  ILE  22          2HD1      ILE  22  -1.296   4.584  -1.967
  187   3HD1  ILE  22          3HD1      ILE  22   0.416   4.175  -1.853
  188    H    LEU  23           H        LEU  23   2.593   0.602   1.379
  189    HA   LEU  23           HA       LEU  23   3.886  -0.961  -0.584
  190   1HB   LEU  23          1HB       LEU  23   4.465  -0.020   2.130
  191   2HB   LEU  23          2HB       LEU  23   5.181  -1.577   1.766
  192    HG   LEU  23           HG       LEU  23   6.178  -0.508  -0.303
  193   1HD1  LEU  23          1HD1      LEU  23   6.325   1.873  -0.425
  194   2HD1  LEU  23          2HD1      LEU  23   5.474   2.057   1.109
  195   3HD1  LEU  23          3HD1      LEU  23   4.620   1.438  -0.304
  196   1HD2  LEU  23          1HD2      LEU  23   7.046   0.678   2.328
  197   2HD2  LEU  23          2HD2      LEU  23   8.040   0.407   0.896
  198   3HD2  LEU  23          3HD2      LEU  23   7.413  -0.967   1.807
  199    H    LEU  24           H        LEU  24   1.949  -1.786   2.269
  200    HA   LEU  24           HA       LEU  24   2.569  -4.554   2.277
  201   1HB   LEU  24          1HB       LEU  24   0.151  -4.642   3.383
  202   2HB   LEU  24          2HB       LEU  24   1.590  -4.162   4.251
  203    HG   LEU  24           HG       LEU  24   0.953  -1.769   3.742
  204   1HD1  LEU  24          1HD1      LEU  24  -0.586  -1.950   1.961
  205   2HD1  LEU  24          2HD1      LEU  24  -1.550  -1.493   3.365
  206   3HD1  LEU  24          3HD1      LEU  24  -1.542  -3.168   2.808
  207   1HD2  LEU  24          1HD2      LEU  24   0.498  -3.251   5.842
  208   2HD2  LEU  24          2HD2      LEU  24  -1.186  -3.059   5.349
  209   3HD2  LEU  24          3HD2      LEU  24  -0.204  -1.638   5.706
  210    H    HIS  25           H        HIS  25   0.352  -2.670   0.364
  211    HA   HIS  25           HA       HIS  25  -1.417  -4.678  -0.462
  212   1HB   HIS  25          1HB       HIS  25  -0.521  -2.081  -1.659
  213   2HB   HIS  25          2HB       HIS  25  -1.530  -3.170  -2.603
  214    HD1  HIS  25           HD1      HIS  25  -3.697  -4.047  -0.814
  215    HD2  HIS  25           HD2      HIS  25  -2.078  -0.231  -0.545
  216    HE1  HIS  25           HE1      HIS  25  -5.439  -2.615   0.330
  217    H    GLU  26           H        GLU  26   1.824  -3.871  -1.569
  218    HA   GLU  26           HA       GLU  26   1.924  -5.177  -4.001
  219   1HB   GLU  26          1HB       GLU  26   3.751  -3.896  -2.465
  220   2HB   GLU  26          2HB       GLU  26   4.288  -5.558  -2.262
  221   1HG   GLU  26          1HG       GLU  26   3.890  -4.176  -4.906
  222   2HG   GLU  26          2HG       GLU  26   5.438  -4.397  -4.092
  223    H    ASN  27           H        ASN  27   2.496  -6.553  -0.765
  224    HA   ASN  27           HA       ASN  27   2.470  -9.246  -1.926
  225   1HB   ASN  27          1HB       ASN  27   4.301  -8.506  -0.318
  226   2HB   ASN  27          2HB       ASN  27   3.073  -8.516   0.944
  227   1HD2  ASN  27          1HD2      ASN  27   2.785 -10.346   2.015
  228   2HD2  ASN  27          2HD2      ASN  27   3.315 -11.909   1.504
  229    H    LYS  28           H        LYS  28   0.258  -9.440  -2.338
  230    HA   LYS  28           HA       LYS  28  -1.340 -10.123  -0.008
  231   1HB   LYS  28          1HB       LYS  28  -1.645  -7.617  -1.312
  232   2HB   LYS  28          2HB       LYS  28  -3.043  -8.596  -1.731
  233   1HG   LYS  28          1HG       LYS  28  -3.263  -9.058   0.763
  234   2HG   LYS  28          2HG       LYS  28  -2.113  -7.737   0.987
  235   1HD   LYS  28          1HD       LYS  28  -3.677  -6.326  -0.428
  236   2HD   LYS  28          2HD       LYS  28  -4.855  -7.628  -0.251
  237   1HE   LYS  28          1HE       LYS  28  -4.220  -7.322   2.313
  238   2HE   LYS  28          2HE       LYS  28  -3.830  -5.695   1.757
  239   1HZ   LYS  28          1HZ       LYS  28  -6.445  -7.070   1.437
  240   2HZ   LYS  28          2HZ       LYS  28  -6.079  -5.526   0.849
  241   3HZ   LYS  28          3HZ       LYS  28  -6.105  -5.811   2.516
  242    H    LYS  29           H        LYS  29  -2.361 -11.977  -0.404
  243    HA   LYS  29           HA       LYS  29  -2.749 -12.794  -3.200
  244   1HB   LYS  29          1HB       LYS  29  -2.857 -15.091  -2.363
  245   2HB   LYS  29          2HB       LYS  29  -1.365 -14.304  -1.869
  246   1HG   LYS  29          1HG       LYS  29  -1.993 -14.207   0.351
  247   2HG   LYS  29          2HG       LYS  29  -3.713 -14.330  -0.021
  248   1HD   LYS  29          1HD       LYS  29  -1.791 -16.579  -0.560
  249   2HD   LYS  29          2HD       LYS  29  -2.592 -16.381   1.001
  250   1HE   LYS  29          1HE       LYS  29  -4.717 -16.181  -0.634
  251   2HE   LYS  29          2HE       LYS  29  -3.688 -17.226  -1.611
  252   1HZ   LYS  29          1HZ       LYS  29  -3.505 -18.725   0.306
  253   2HZ   LYS  29          2HZ       LYS  29  -5.106 -18.544  -0.208
  254   3HZ   LYS  29          3HZ       LYS  29  -4.568 -17.740   1.178
  Start of MODEL   50
    1    H    TYR   1           H        TYR   1  -7.569  13.523   7.219
    2    HA   TYR   1           HA       TYR   1  -6.816  12.353   5.351
    3   1HB   TYR   1          1HB       TYR   1  -9.801  12.871   5.310
    4   2HB   TYR   1          2HB       TYR   1  -9.020  11.517   4.502
    5    HD1  TYR   1           HD1      TYR   1 -11.123  11.824   6.931
    6    HD2  TYR   1           HD2      TYR   1  -7.020  10.748   6.585
    7    HE1  TYR   1           HE1      TYR   1 -11.302  10.500   8.994
    8    HE2  TYR   1           HE2      TYR   1  -7.189   9.421   8.648
    9    HH   TYR   1           HH       TYR   1  -9.185   9.702  10.860
   10    H    LYS   2           H        LYS   2  -5.587  13.422   3.833
   11    HA   LYS   2           HA       LYS   2  -6.932  15.064   1.827
   12   1HB   LYS   2          1HB       LYS   2  -4.474  15.285   3.068
   13   2HB   LYS   2          2HB       LYS   2  -4.058  14.645   1.484
   14   1HG   LYS   2          1HG       LYS   2  -5.558  16.532   0.573
   15   2HG   LYS   2          2HG       LYS   2  -5.385  17.234   2.182
   16   1HD   LYS   2          1HD       LYS   2  -2.994  16.365   0.587
   17   2HD   LYS   2          2HD       LYS   2  -3.722  17.956   0.359
   18   1HE   LYS   2          1HE       LYS   2  -2.965  16.988   3.092
   19   2HE   LYS   2          2HE       LYS   2  -1.759  17.700   2.022
   20   1HZ   LYS   2          1HZ       LYS   2  -2.647  19.396   3.426
   21   2HZ   LYS   2          2HZ       LYS   2  -4.238  18.993   3.017
   22   3HZ   LYS   2          3HZ       LYS   2  -3.214  19.675   1.856
   23    H    PHE   3           H        PHE   3  -4.588  12.362   1.851
   24    HA   PHE   3           HA       PHE   3  -5.266  11.708  -0.888
   25   1HB   PHE   3          1HB       PHE   3  -3.185  10.738   1.059
   26   2HB   PHE   3          2HB       PHE   3  -3.475   9.932  -0.462
   27    HD1  PHE   3           HD1      PHE   3  -2.634  10.792  -2.499
   28    HD2  PHE   3           HD2      PHE   3  -2.425  13.114   1.062
   29    HE1  PHE   3           HE1      PHE   3  -1.152  12.394  -3.635
   30    HE2  PHE   3           HE2      PHE   3  -0.943  14.720  -0.068
   31    HZ   PHE   3           HZ       PHE   3  -0.305  14.361  -2.419
   32    H    ALA   4           H        ALA   4  -5.440   9.294  -1.390
   33    HA   ALA   4           HA       ALA   4  -6.743   7.672   0.621
   34   1HB   ALA   4          1HB       ALA   4  -8.804   7.347  -0.670
   35   2HB   ALA   4          2HB       ALA   4  -8.266   8.567  -1.825
   36   3HB   ALA   4          3HB       ALA   4  -8.611   9.024  -0.157
   37    H    CYS   5           H        CYS   5  -6.861   5.462   0.056
   38    HA   CYS   5           HA       CYS   5  -4.958   4.677  -1.974
   39   1HB   CYS   5          1HB       CYS   5  -5.279   3.618   0.376
   40   2HB   CYS   5          2HB       CYS   5  -6.611   2.749  -0.370
   41    HG   CYS   5           HG       CYS   5  -4.743   1.153  -0.783
   42    HA   PRO   6           HA       PRO   6  -8.022   3.839  -5.084
   43   1HB   PRO   6          1HB       PRO   6  -6.471   2.504  -6.836
   44   2HB   PRO   6          2HB       PRO   6  -6.300   4.243  -6.570
   45   1HG   PRO   6          1HG       PRO   6  -4.663   1.989  -5.475
   46   2HG   PRO   6          2HG       PRO   6  -4.125   3.551  -6.122
   47   1HD   PRO   6          1HD       PRO   6  -4.354   3.020  -3.453
   48   2HD   PRO   6          2HD       PRO   6  -4.526   4.645  -4.148
   49    H    GLU   7           H        GLU   7  -6.281   1.384  -3.347
   50    HA   GLU   7           HA       GLU   7  -7.996  -0.740  -4.401
   51   1HB   GLU   7          1HB       GLU   7  -5.322  -0.625  -3.138
   52   2HB   GLU   7          2HB       GLU   7  -6.309  -2.013  -2.717
   53   1HG   GLU   7          1HG       GLU   7  -4.914  -2.585  -4.573
   54   2HG   GLU   7          2HG       GLU   7  -6.587  -2.499  -5.124
   55    H    CYS   8           H        CYS   8  -6.860   0.546  -1.261
   56    HA   CYS   8           HA       CYS   8  -9.203  -0.695   0.015
   57   1HB   CYS   8          1HB       CYS   8  -8.015  -0.670   2.069
   58   2HB   CYS   8          2HB       CYS   8  -6.886  -1.246   0.857
   59    HG   CYS   8           HG       CYS   8  -5.391   0.578   1.472
   60    HA   PRO   9           HA       PRO   9 -10.808   3.270   1.095
   61   1HB   PRO   9          1HB       PRO   9 -12.145   2.753   3.348
   62   2HB   PRO   9          2HB       PRO   9 -12.562   1.956   1.827
   63   1HG   PRO   9          1HG       PRO   9 -11.103   0.885   4.187
   64   2HG   PRO   9          2HG       PRO   9 -12.192   0.053   3.065
   65   1HD   PRO   9          1HD       PRO   9  -9.365   0.043   3.004
   66   2HD   PRO   9          2HD       PRO   9 -10.451  -0.575   1.750
   67    H    LYS  10           H        LYS  10  -7.981   3.007   2.074
   68    HA   LYS  10           HA       LYS  10  -8.049   4.300   4.672
   69   1HB   LYS  10          1HB       LYS  10  -5.665   3.645   2.926
   70   2HB   LYS  10          2HB       LYS  10  -5.601   4.239   4.559
   71   1HG   LYS  10          1HG       LYS  10  -7.166   1.779   4.165
   72   2HG   LYS  10          2HG       LYS  10  -5.422   1.650   3.928
   73   1HD   LYS  10          1HD       LYS  10  -5.679   1.187   6.190
   74   2HD   LYS  10          2HD       LYS  10  -5.251   2.898   6.182
   75   1HE   LYS  10          1HE       LYS  10  -7.519   3.546   6.519
   76   2HE   LYS  10          2HE       LYS  10  -8.092   1.900   6.248
   77   1HZ   LYS  10          1HZ       LYS  10  -8.052   2.483   8.603
   78   2HZ   LYS  10          2HZ       LYS  10  -6.386   2.762   8.522
   79   3HZ   LYS  10          3HZ       LYS  10  -6.994   1.205   8.270
   80    H    ARG  11           H        ARG  11  -7.001   6.327   5.070
   81    HA   ARG  11           HA       ARG  11  -6.597   8.119   2.812
   82   1HB   ARG  11          1HB       ARG  11  -8.099   9.843   4.031
   83   2HB   ARG  11          2HB       ARG  11  -8.865   8.608   3.045
   84   1HG   ARG  11          1HG       ARG  11  -8.492   7.918   5.885
   85   2HG   ARG  11          2HG       ARG  11  -9.625   9.226   5.550
   86   1HD   ARG  11          1HD       ARG  11 -10.266   7.312   3.664
   87   2HD   ARG  11          2HD       ARG  11  -9.893   6.365   5.105
   88    HE   ARG  11           HE       ARG  11 -11.540   8.313   6.031
   89   1HH1  ARG  11          1HH1      ARG  11 -11.804   5.968   3.443
   90   2HH1  ARG  11          2HH1      ARG  11 -13.528   5.859   3.555
   91   1HH2  ARG  11          1HH2      ARG  11 -13.808   8.165   6.173
   92   2HH2  ARG  11          2HH2      ARG  11 -14.666   7.106   5.104
   93    H    PHE  12           H        PHE  12  -4.971   9.522   3.198
   94    HA   PHE  12           HA       PHE  12  -4.198  10.010   5.995
   95   1HB   PHE  12          1HB       PHE  12  -2.220   9.461   3.817
   96   2HB   PHE  12          2HB       PHE  12  -1.887   9.603   5.525
   97    HD1  PHE  12           HD1      PHE  12  -4.192   7.587   3.394
   98    HD2  PHE  12           HD2      PHE  12  -1.320   7.599   6.527
   99    HE1  PHE  12           HE1      PHE  12  -4.424   5.166   3.594
  100    HE2  PHE  12           HE2      PHE  12  -1.551   5.153   6.738
  101    HZ   PHE  12           HZ       PHE  12  -3.112   3.934   5.255
  102    H    MET  13           H        MET  13  -3.318  11.997   6.449
  103    HA   MET  13           HA       MET  13  -3.983  14.136   4.706
  104   1HB   MET  13          1HB       MET  13  -2.864  15.574   6.384
  105   2HB   MET  13          2HB       MET  13  -4.031  14.472   7.100
  106   1HG   MET  13          1HG       MET  13  -1.365  13.338   7.033
  107   2HG   MET  13          2HG       MET  13  -1.417  14.871   7.902
  108   1HE   MET  13          1HE       MET  13  -3.200  14.419  10.974
  109   2HE   MET  13          2HE       MET  13  -4.418  14.666   9.724
  110   3HE   MET  13          3HE       MET  13  -2.861  15.485   9.610
  111    H    ARG  14           H        ARG  14  -1.066  12.293   5.238
  112    HA   ARG  14           HA       ARG  14   0.489  14.140   3.574
  113   1HB   ARG  14          1HB       ARG  14   1.238  11.884   5.416
  114   2HB   ARG  14          2HB       ARG  14   2.385  12.518   4.247
  115   1HG   ARG  14          1HG       ARG  14   2.969  13.953   5.845
  116   2HG   ARG  14          2HG       ARG  14   1.465  14.795   5.467
  117   1HD   ARG  14          1HD       ARG  14   0.888  14.463   7.595
  118   2HD   ARG  14          2HD       ARG  14   0.675  12.762   7.170
  119    HE   ARG  14           HE       ARG  14   2.614  12.261   8.294
  120   1HH1  ARG  14          1HH1      ARG  14   2.381  15.735   7.936
  121   2HH1  ARG  14          2HH1      ARG  14   3.687  16.058   9.024
  122   1HH2  ARG  14          1HH2      ARG  14   4.337  12.691   9.723
  123   2HH2  ARG  14          2HH2      ARG  14   4.799  14.331  10.038
  124    H    SER  15           H        SER  15   1.898  13.203   1.907
  125    HA   SER  15           HA       SER  15   0.432  11.235   0.336
  126   1HB   SER  15          1HB       SER  15   1.217  12.252  -1.473
  127   2HB   SER  15          2HB       SER  15   1.641  13.564  -0.379
  128    HG   SER  15           HG       SER  15   3.716  12.995  -0.469
  129    H    ASP  16           H        ASP  16   3.681  11.716   1.691
  130    HA   ASP  16           HA       ASP  16   4.753   9.280   0.706
  131   1HB   ASP  16          1HB       ASP  16   5.808  11.502   1.931
  132   2HB   ASP  16          2HB       ASP  16   5.940  10.282   3.192
  133    H    HIS  17           H        HIS  17   3.261  10.196   3.792
  134    HA   HIS  17           HA       HIS  17   3.727   7.790   5.162
  135   1HB   HIS  17          1HB       HIS  17   1.904  10.098   5.481
  136   2HB   HIS  17          2HB       HIS  17   1.393   8.603   6.248
  137    HD1  HIS  17           HD1      HIS  17   1.748   9.715   8.569
  138    HD2  HIS  17           HD2      HIS  17   5.194   9.381   6.273
  139    HE1  HIS  17           HE1      HIS  17   3.646  10.176  10.138
  140    HE2  HIS  17           HE2      HIS  17   5.718  10.068   8.711
  141    H    LEU  18           H        LEU  18   0.866   8.847   3.300
  142    HA   LEU  18           HA       LEU  18  -0.639   6.509   3.593
  143   1HB   LEU  18          1HB       LEU  18  -1.436   8.679   2.657
  144   2HB   LEU  18          2HB       LEU  18  -0.576   8.322   1.185
  145    HG   LEU  18           HG       LEU  18  -2.632   6.407   2.217
  146   1HD1  LEU  18          1HD1      LEU  18  -4.380   7.670   1.669
  147   2HD1  LEU  18          2HD1      LEU  18  -3.604   8.252   0.199
  148   3HD1  LEU  18          3HD1      LEU  18  -3.264   9.035   1.744
  149   1HD2  LEU  18          1HD2      LEU  18  -1.768   5.366   0.441
  150   2HD2  LEU  18          2HD2      LEU  18  -1.121   6.857  -0.253
  151   3HD2  LEU  18          3HD2      LEU  18  -2.824   6.451  -0.467
  152    H    THR  19           H        THR  19   1.724   7.445   1.110
  153    HA   THR  19           HA       THR  19   1.460   5.160  -0.473
  154    HB   THR  19           HB       THR  19   3.839   6.990  -0.082
  155    HG1  THR  19           HG1      THR  19   2.455   8.221  -1.101
  156   1HG2  THR  19          1HG2      THR  19   3.373   4.862  -2.147
  157   2HG2  THR  19          2HG2      THR  19   4.757   5.060  -1.072
  158   3HG2  THR  19          3HG2      THR  19   4.487   6.210  -2.382
  159    H    LEU  20           H        LEU  20   3.312   5.782   2.453
  160    HA   LEU  20           HA       LEU  20   5.011   3.533   2.368
  161   1HB   LEU  20          1HB       LEU  20   5.138   5.524   3.939
  162   2HB   LEU  20          2HB       LEU  20   3.853   4.774   4.864
  163    HG   LEU  20           HG       LEU  20   6.024   2.910   4.416
  164   1HD1  LEU  20          1HD1      LEU  20   6.707   5.484   5.829
  165   2HD1  LEU  20          2HD1      LEU  20   7.413   4.903   4.320
  166   3HD1  LEU  20          3HD1      LEU  20   7.690   4.020   5.821
  167   1HD2  LEU  20          1HD2      LEU  20   4.872   4.114   6.930
  168   2HD2  LEU  20          2HD2      LEU  20   5.865   2.660   6.824
  169   3HD2  LEU  20          3HD2      LEU  20   4.256   2.682   6.104
  170    H    HIS  21           H        HIS  21   1.693   3.981   3.408
  171    HA   HIS  21           HA       HIS  21   1.317   1.485   4.672
  172   1HB   HIS  21          1HB       HIS  21  -0.676   2.399   5.138
  173   2HB   HIS  21          2HB       HIS  21  -0.151   3.832   4.303
  174    HD1  HIS  21           HD1      HIS  21  -2.026   4.608   2.863
  175    HD2  HIS  21           HD2      HIS  21  -1.661   0.485   2.827
  176    HE1  HIS  21           HE1      HIS  21  -3.845   3.739   1.343
  177    H    ILE  22           H        ILE  22   0.580   2.633   1.417
  178    HA   ILE  22           HA       ILE  22  -0.664   0.319   0.499
  179    HB   ILE  22           HB       ILE  22   0.932   2.068  -1.353
  180   1HG1  ILE  22          1HG1      ILE  22  -1.890   2.764  -0.791
  181   2HG1  ILE  22          2HG1      ILE  22  -0.747   3.192   0.462
  182   1HG2  ILE  22          1HG2      ILE  22  -1.808   1.139  -1.945
  183   2HG2  ILE  22          2HG2      ILE  22  -0.556  -0.105  -1.883
  184   3HG2  ILE  22          3HG2      ILE  22  -0.395   1.252  -2.998
  185   1HD1  ILE  22          1HD1      ILE  22  -1.263   4.431  -2.076
  186   2HD1  ILE  22          2HD1      ILE  22   0.445   4.037  -1.884
  187   3HD1  ILE  22          3HD1      ILE  22  -0.373   5.035  -0.682
  188    H    LEU  23           H        LEU  23   2.584   0.614   1.361
  189    HA   LEU  23           HA       LEU  23   3.895  -0.960  -0.534
  190   1HB   LEU  23          1HB       LEU  23   4.379  -0.123   2.234
  191   2HB   LEU  23          2HB       LEU  23   5.107  -1.663   1.829
  192    HG   LEU  23           HG       LEU  23   5.539   0.619  -0.037
  193   1HD1  LEU  23          1HD1      LEU  23   7.510   1.310   1.303
  194   2HD1  LEU  23          2HD1      LEU  23   6.916   0.303   2.624
  195   3HD1  LEU  23          3HD1      LEU  23   5.966   1.682   2.070
  196   1HD2  LEU  23          1HD2      LEU  23   7.291  -1.638   0.929
  197   2HD2  LEU  23          2HD2      LEU  23   7.687  -0.484  -0.343
  198   3HD2  LEU  23          3HD2      LEU  23   6.363  -1.625  -0.570
  199    H    LEU  24           H        LEU  24   1.881  -1.880   2.246
  200    HA   LEU  24           HA       LEU  24   2.487  -4.642   2.187
  201   1HB   LEU  24          1HB       LEU  24  -0.042  -4.736   3.095
  202   2HB   LEU  24          2HB       LEU  24   1.353  -4.390   4.089
  203    HG   LEU  24           HG       LEU  24   0.850  -1.930   3.687
  204   1HD1  LEU  24          1HD1      LEU  24  -0.622  -1.835   1.893
  205   2HD1  LEU  24          2HD1      LEU  24  -1.694  -1.634   3.277
  206   3HD1  LEU  24          3HD1      LEU  24  -1.575  -3.201   2.476
  207   1HD2  LEU  24          1HD2      LEU  24   0.280  -3.473   5.690
  208   2HD2  LEU  24          2HD2      LEU  24  -1.381  -3.271   5.131
  209   3HD2  LEU  24          3HD2      LEU  24  -0.427  -1.860   5.592
  210    H    HIS  25           H        HIS  25   0.173  -2.723   0.352
  211    HA   HIS  25           HA       HIS  25  -1.336  -4.827  -0.743
  212   1HB   HIS  25          1HB       HIS  25  -0.720  -2.059  -1.783
  213   2HB   HIS  25          2HB       HIS  25  -1.810  -3.166  -2.606
  214    HD1  HIS  25           HD1      HIS  25  -3.549  -4.216  -0.375
  215    HD2  HIS  25           HD2      HIS  25  -2.293  -0.262  -0.588
  216    HE1  HIS  25           HE1      HIS  25  -5.202  -2.869   0.987
  217    H    GLU  26           H        GLU  26   1.612  -3.215  -1.901
  218    HA   GLU  26           HA       GLU  26   1.847  -4.543  -4.356
  219   1HB   GLU  26          1HB       GLU  26   3.761  -3.150  -2.532
  220   2HB   GLU  26          2HB       GLU  26   4.407  -4.097  -3.866
  221   1HG   GLU  26          1HG       GLU  26   2.295  -2.444  -4.839
  222   2HG   GLU  26          2HG       GLU  26   3.420  -1.459  -3.906
  223    H    ASN  27           H        ASN  27   3.143  -5.376  -1.152
  224    HA   ASN  27           HA       ASN  27   4.337  -7.820  -2.095
  225   1HB   ASN  27          1HB       ASN  27   5.230  -6.451  -0.175
  226   2HB   ASN  27          2HB       ASN  27   3.843  -6.984   0.769
  227   1HD2  ASN  27          1HD2      ASN  27   4.094  -8.751   1.942
  228   2HD2  ASN  27          2HD2      ASN  27   5.316  -9.952   1.712
  229    H    LYS  28           H        LYS  28   2.671  -9.032  -2.983
  230    HA   LYS  28           HA       LYS  28   1.056 -10.485  -1.063
  231   1HB   LYS  28          1HB       LYS  28  -0.077  -8.314  -2.428
  232   2HB   LYS  28          2HB       LYS  28  -0.657  -9.741  -3.275
  233   1HG   LYS  28          1HG       LYS  28  -1.876 -10.475  -1.500
  234   2HG   LYS  28          2HG       LYS  28  -0.795  -9.742  -0.312
  235   1HD   LYS  28          1HD       LYS  28  -1.706  -7.508  -1.410
  236   2HD   LYS  28          2HD       LYS  28  -3.074  -8.550  -1.806
  237   1HE   LYS  28          1HE       LYS  28  -3.532  -8.995   0.449
  238   2HE   LYS  28          2HE       LYS  28  -1.951  -8.416   0.973
  239   1HZ   LYS  28          1HZ       LYS  28  -2.608  -6.173   0.397
  240   2HZ   LYS  28          2HZ       LYS  28  -3.715  -6.837   1.489
  241   3HZ   LYS  28          3HZ       LYS  28  -4.115  -6.717  -0.149
  242    H    LYS  29           H        LYS  29  -0.090 -12.336  -2.088
  243    HA   LYS  29           HA       LYS  29   1.670 -13.724  -3.839
  244   1HB   LYS  29          1HB       LYS  29  -0.052 -15.519  -3.794
  245   2HB   LYS  29          2HB       LYS  29   0.439 -14.978  -2.196
  246   1HG   LYS  29          1HG       LYS  29  -1.588 -13.885  -1.811
  247   2HG   LYS  29          2HG       LYS  29  -2.013 -13.876  -3.523
  248   1HD   LYS  29          1HD       LYS  29  -1.639 -16.490  -2.136
  249   2HD   LYS  29          2HD       LYS  29  -3.129 -15.584  -1.869
  250   1HE   LYS  29          1HE       LYS  29  -3.936 -16.209  -3.845
  251   2HE   LYS  29          2HE       LYS  29  -2.483 -15.646  -4.672
  252   1HZ   LYS  29          1HZ       LYS  29  -2.803 -18.294  -3.361
  253   2HZ   LYS  29          2HZ       LYS  29  -1.423 -17.757  -4.179
  254   3HZ   LYS  29          3HZ       LYS  29  -2.864 -18.009  -5.028