*HEADER    DE NOVO PROTEIN                         17-NOV-03   1RIM              
*TITLE     E6-BINDING ZINC FINGER (E6APC2)                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E6APC2 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, 29 STRUCTURES                                                    
*AUTHOR    Y.LIU, Z.LIU, E.ANDROPHY, J.CHEN, J.D.BALEJA                          
*REVDAT   1   03-AUG-04 1RIM    0                                                
??! file name: E6apc2-noe

!! Y1       

assign (resid 1 and name HD# ) (resid 1 and name HE# ) 2.48 0.60 2.40   

assign (resid 1 and name HA ) (resid 1 and name HD# ) 4.01 2.30 2.90   

assign (resid 1 and name HB# ) (resid 1 and name HD# ) 3.15 1.40 2.80   

assign (resid 1 and name HA ) (resid 2 and name HN ) 2.31 0.51 0.50

assign (resid 1 and name HB# ) (resid 2 and name HN ) 2.87 1.00 2.27   

assign (resid 1 and name HB# ) (resid 11 and name HB1 ) 2.80 1.20 2.00

assign (resid 1 and name HB# ) (resid 11 and name HB2 ) 2.80 1.20 2.00

assign (resid 1 and name HA ) (resid 13 and name HA ) 2.51 0.70 0.50

assign (resid 1 and name HB# ) (resid 13 and name HA ) 3.62 1.80 2.50

assign (resid 1 and name HD# ) (resid 13 and name HG# ) 3.53 1.70 2.80

assign (resid 1 and name HE# ) (resid 13 and name HG# ) 4.17 2.37 3.80 !  

assign (resid 1 and name HE# ) (resid 13 and name HB# ) 3.57 1.77 3.80 !  



!! K2     

!assign (resid 2 and name HA ) (resid 2 and name HB# ) 2.30 0.50 2.20

assign (resid 2 and name HA ) (resid 2 and name HN ) 2.55 0.70 0.51

assign (resid 2 and name HB# ) (resid 2 and name HN ) 2.41 0.50 2.00  

assign (resid 2 and name HN ) (resid 3 and name HD# ) 3.31 1.50 2.76  

assign (resid 2 and name HN ) (resid 3 and name HN ) 2.56 0.70 0.50  

assign (resid 2 and name HA ) (resid 3 and name HN ) 3.03 1.20 0.60  

assign (resid 2 and name HB# ) (resid 3 and name HN ) 2.86 1.00 2.27  



!! F3  

assign (resid 3 and name HD# ) (resid 3 and name HB1 ) 2.46 0.70 2.40  

assign (resid 3 and name HD# ) (resid 3 and name HB2 ) 2.44 0.60 2.40  

assign (resid 3 and name HB1 ) (resid 3 and name HN ) 3.10 1.30 0.62   

assign (resid 3 and name HB2 ) (resid 3 and name HN ) 2.70 0.90 0.70  

assign (resid 3 and name HN ) (resid 3 and name HD# ) 2.57 0.80 2.60  

assign (resid 3 and name HN ) (resid 4 and name HN ) 3.90 2.10 0.80  

assign (resid 3 and name HB2 ) (resid 4 and name HN ) 3.81 2.00 0.76  

assign (resid 3 and name HB1 ) (resid 4 and name HN ) 3.49 1.70 0.70  

assign (resid 3 and name HD# ) (resid 4 and name HN ) 3.53 1.70 2.80  

assign (resid 3 and name HN ) (resid 12 and name HN ) 2.94 1.00 0.30

assign (resid 3 and name HD# ) (resid 12 and name HB2 ) 3.56 1.70 2.80

assign (resid 3 and name HB2 ) (resid 12 and name HN ) 3.82 2.00 1.10

assign (resid 3 and name HB1 ) (resid 12 and name HN ) 3.53 1.70 0.70

assign (resid 3 and name HE# ) (resid 14 and name HA ) 3.40 1.60 2.78

assign (resid 3 and name HD# ) (resid 15 and name HA ) 4.20 2.40 2.94

assign (resid 3 and name HD# ) (resid 15 and name HB2 ) 3.68 1.80 2.83

assign (resid 3 and name HE# ) (resid 15 and name HB2 ) 2.92 1.00 2.68

assign (resid 3 and name HE# ) (resid 15 and name HB1 ) 2.91 1.00 2.40

assign (resid 3 and name HE# ) (resid 15 and name HA ) 3.51 1.70 2.80

assign (resid 3 and name HD# ) (resid 15 and name HN ) 3.60 1.80 2.82

assign (resid 3 and name HB1 ) (resid 18 and name HB2 ) 3.31 1.51 2.00

assign (resid 3 and name HB1 ) (resid 18 and name HD1# ) 3.50 1.70 2.50            

assign (resid 3 and name HE# ) ((resid 22 and name HG12 ) 2.76 1.00 2.40 !



!! A4    

assign (resid 4 and name HA ) (resid 4 and name HN ) 2.25 0.40 0.50

assign (resid 4 and name HB# ) (resid 5 and name HN ) 3.21 1.40 1.64

assign (resid 4 and name HB# ) (resid 5 and name HB2 ) 3.06 1.40 1.60

assign (resid 4 and name HN ) (resid 18 and name HD2# ) 3.06 1.20 1.60



! C5    

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

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

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

assign (resid 5 and name HA ) (resid 6 and name HD2 ) 2.43 0.60 0.50

assign (resid 5 and name HA ) (resid 6 and name HD1 ) 2.36 0.60 0.50

!assign (resid 5 and name HB1 ) (resid 6 and name HD2 ) 2.75 1.00 0.50

assign (resid 5 and name HB1 ) (resid 7 and name HN ) 3.65 1.85 0.72

assign (resid 5 and name HB2 ) (resid 7 and name HN ) 3.39 1.60 0.70

assign (resid 5 and name HB1 ) (resid 8 and name HN ) 3.31 1.50 0.66

assign (resid 5 and name HB2 ) (resid 8 and name HN ) 3.07 1.27 0.62

assign (resid 5 and name HB2 ) (resid 10 and name HN ) 3.97 2.10 0.80

!assign (resid 5 and name HN ) (resid 11 and name HA ) 3.79 2.00 0.80

assign (resid 5 and name HB2 ) (resid 12 and name HE# ) 3.21 1.40 2.50

assign (resid 5 and name HN ) (resid 12 and name HE# ) 3.13 1.30 2.40

assign (resid 5 and name HN ) (resid 12 and name HD# ) 3.41 1.60 2.40

!assign (resid 5 and name HB2 ) (resid 18 and name HD1# ) 3.16 1.40 1.40!

assign (resid 5 and name HB2 ) (resid 18 and name HD2# ) 3.17 1.40 1.63

!assign (resid 5 and name HB1 ) (resid 18 and name HD1# ) 3.35 1.70 1.70!

assign (resid 5 and name HB1 ) (resid 18 and name HD2# ) 2.58 0.70 1.52

!assign (resid 5 and name HB1 ) (resid 21 and name HD2 ) 2.90 1.10 0.60 

assign (resid 5 and name HN ) (resid 22 and name HG2# ) 2.72 0.90 1.54





! P6   HB=HB1 HB'=HB2, HD=HD2 HD'=HD1, HG=HG1 HG'=HG2  ??

assign (resid 6 and name HG2 ) (resid 7 and name HN ) 4.32 2.50 0.86 

assign (resid 6 and name HG1 ) (resid 7 and name HN ) 3.74 2.00 0.86 

assign (resid 6 and name HD1 ) (resid 7 and name HN ) 4.05 2.20 0.80

assign (resid 6 and name HD2 ) (resid 7 and name HN ) 5.67 3.80 1.30

assign (resid 6 and name HB# ) (resid 7 and name HN ) 3.71 1.93 2.43  

!assign (resid 6 and name HB1 )  (resid 7 and name HN ) 3.14 1.34 0.74 

assign (resid 6 and name HD2 ) (resid 22 and name HG2# ) 2.84 1.00 1.57

assign (resid 6 and name HD2 ) (resid 22 and name HD# ) 2.70 0.90 1.54



! E7          HB= HB1=1.7 HB2=~1.0  , HG1=HG# 

assign (resid 7 and name HG# ) (resid 7 and name HN ) 2.90 1.10 2.00

assign (resid 7 and name HB1 ) (resid 7 and name HN ) 2.95 1.10 0.60 

assign (resid 7 and name HB2 ) (resid 7 and name HN ) 2.73 0.90 0.70

assign (resid 7 and name HA ) (resid 7 and name HN ) 3.18 1.32 0.64

assign (resid 7 and name HN ) (resid 8 and name HN ) 2.45 0.60 0.49

assign (resid 7 and name HA ) (resid 8 and name HN ) 3.68 1.88 0.74

assign (resid 7 and name HB2 ) (resid 8 and name HN ) 3.52 1.70 1.70

assign (resid 7 and name HB2 ) (resid 25 and name HE1 ) 3.59 1.80 2.40



!! C8  HB=HB2 HB'=HB1   10/25/02

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

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

assign (resid 8 and name HA ) (resid 25 and name HE1 ) 3.50 1.70 1.50 ! 

assign (resid 8 and name HA ) (resid 8 and name HN ) 3.00 1.20 0.60

assign (resid 8 and name HB2 ) (resid 8 and name HN ) 3.51 1.80 0.70

assign (resid 8 and name HB1 ) (resid 8 and name HN ) 3.20 1.40 0.60

assign (resid 8 and name HA ) (resid 9 and name HD2 ) 2.34 0.50 0.30

assign (resid 8 and name HA ) (resid 9 and name HG# ) 2.76 1.00 2.25

assign (resid 8 and name HA ) (resid 9 and name HD1 ) 2.45 0.65 0.49

assign (resid 8 and name HB1 ) (resid 9 and name HD2 ) 2.79 1.00 0.30 ! 

assign (resid 8 and name HB1 ) (resid 9 and name HD1 ) 2.67 0.87 0.90

assign (resid 8 and name HA ) (resid 9 and name HA ) 3.59 1.80 0.70

assign (resid 8 and name HB2 ) (resid 9 and name HG# ) 3.01 1.20 2.30

assign (resid 8 and name HA ) (resid 25 and name HE1 ) 3.61 1.80 0.72

assign (resid 8 and name HB1 ) (resid 25 and name HE1 ) 2.52 0.70 0.50  

assign (resid 8 and name HB2 ) (resid 25 and name HE1 ) 2.96 1.00 0.60

assign (resid 8 and name HA ) (resid 9 and name HB# ) 3.76 2.00 2.50 !



!! P9   

!assign (resid 9 and name HD2 ) (resid 9 and name HG# ) 3.19 1.40 2.00

assign (resid 9 and name HA ) (resid 10 and name HN ) 3.49 1.70 0.70

assign (resid 9 and name HD1 ) (resid 10 and name HN ) 3.22 1.40 0.64 

!! K10   

assign (resid 10 and name HB1 ) (resid 10 and name HN ) 2.32 0.50 2.00

assign (resid 10 and name HA ) (resid 10 and name HN ) 2.55 0.75 0.30

assign (resid 10 and name HB2 ) (resid 10 and name HN ) 2.80 1.00 2.00

assign (resid 10 and name HB2 ) (resid 10 and name HA ) 2.49 0.70 1.95

assign (resid 10 and name HG# ) (resid 10 and name HA ) 3.02 1.20 2.00

assign (resid 10 and name HB1 ) (resid 10 and name HA ) 2.60 0.80 2.00

assign (resid 10 and name HN ) (resid 11 and name HN ) 3.48 1.70 1.00

assign (resid 10 and name HA ) (resid 11 and name HN ) 2.00 0.20 0.50

assign (resid 10 and name HB2 ) (resid 11 and name HN ) 2.80 1.00 2.00

assign (resid 10 and name HG# ) (resid 12 and name HZ ) 2.98 1.20 2.00

assign (resid 10 and name HB1 ) (resid 12 and name HZ ) 3.15 1.35 2.00

assign (resid 10 and name HB2 ) (resid 12 and name HZ ) 2.81 1.00 2.00

assign (resid 10 and name HB2 ) (resid 12 and name HE# ) 2.42 0.60 4.00 !

assign (resid 10 and name HB1 ) (resid 12 and name HE# ) 2.79 1.00 4.00 !

assign (resid 10 and name HG# ) (resid 12 and name HE# ) 3.39 1.60 4.00

assign (resid 10 and name HB1 ) (resid 12 and name HD# ) 4.03 2.20 4.00

assign (resid 10 and name HB1 ) (resid 12 and name HN ) 2.90 1.10 2.00 !

assign (resid 10 and name HB1 ) (resid 21 and name HE1 ) 2.95 1.20 2.00

assign (resid 10 and name HG# ) (resid 21 and name HE1 ) 2.70 0.90 2.00

assign (resid 10 and name HB2 ) (resid 21 and name HE1 ) 4.03 2.00 2.00



!! R11    

assign (resid 11 and name HG# ) (resid 11 and name HN ) 3.40 1.60 0.70

assign (resid 11 and name HA ) (resid 11 and name HN ) 3.58 1.80 0.80

assign (resid 11 and name HB1 ) (resid 11 and name HN ) 2.62 0.80 0.60  

assign (resid 11 and name HB1 ) (resid 12 and name HN ) 4.13 2.30 2.50  

assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.11 1.30 0.62  

assign (resid 11 and name HN ) (resid 12 and name HN ) 3.63 1.80 0.72



!! F12    

assign (resid 12 and name HA ) (resid 12 and name HE# ) 3.10 1.30 2.40

assign (resid 12 and name HE# ) (resid 12 and name HD# ) 2.89 1.00 4.00

assign (resid 12 and name HA ) (resid 12 and name HN ) 2.75 1.00 0.30

assign (resid 12 and name HB2 ) (resid 12 and name HN ) 3.19 1.40 0.64

assign (resid 12 and name HB1 ) (resid 12 and name HN ) 2.92 1.10 0.90

!assign (resid 12 and name HD# ) (resid 12 and name HE# ) 2.49 0.69 4.00

assign (resid 12 and name HE# ) (resid 12 and name HZ ) 2.08 0.30 2.40

assign (resid 12 and name HD# ) (resid 12 and name HZ ) 2.81 1.00 2.40

assign (resid 12 and name HB2 ) (resid 13 and name HN ) 3.43 1.60 0.68

assign (resid 12 and name HB1 ) (resid 13 and name HN ) 3.84 2.00 0.76

!assign (resid 12 and name HE# ) (resid 13 and name HG1 ) 3.63 1.80 2.50

!assign (resid 12 and name HE# ) (resid 13 and name HG# ) 3.51 1.70 2.50

assign (resid 12 and name HB1 ) (resid 14 and name HN ) 3.25 1.50 0.65

assign (resid 12 and name HB2 ) (resid 14 and name HN ) 2.76 1.00 0.60

assign (resid 12 and name HB2 ) (resid 17 and name HB2 ) 2.84 1.00 0.60

assign (resid 12 and name HB2 ) (resid 17 and name HB1 ) 3.11 1.30 0.60

assign (resid 12 and name HD# ) (resid 18 and name HA ) 3.06 1.36 0.70  

assign (resid 12 and name HD# ) (resid 17 and name HA ) 3.50 1.80 2.50  

assign (resid 12 and name HE# ) (resid 18 and name HB2 ) 2.85 1.00 2.40

assign (resid 12 and name HD# ) (resid 18 and name HB2 ) 3.16 1.36 2.50

assign (resid 12 and name HB2 ) (resid 18 and name HD1# ) 3.52 1.70 1.35

!assign (resid 12 and name HB2 ) (resid 18 and name HD2# ) 3.84 2.00 1.76

assign (resid 12 and name HN ) (resid 18 and name HD2# ) 3.44 1.60 2.00

assign (resid 12 and name HD# ) (resid 18 and name HD1# ) 3.04 1.20 3.10

assign (resid 12 and name HD# ) (resid 18 and name HD2# ) 2.32 0.50 3.10

assign (resid 12 and name HE# ) (resid 18 and name HB2 ) 2.85 1.00 2.40

assign (resid 12 and name HZ ) (resid 21 and name HB1 ) 3.05 1.25 0.61

assign (resid 12 and name HZ ) (resid 25 and name HB1 ) 3.84 2.00 0.76

assign (resid 12 and name HZ ) (resid 25 and name HB2 ) 4.23 2.40 0.85



!! M13   

assign (resid 13 and name HN ) (resid 12 and name HB2 ) 3.43 1.60 0.68

assign (resid 13 and name HN ) (resid 12 and name HB1 ) 3.84 2.00 0.90

assign (resid 13 and name HN ) (resid 14 and name HN ) 3.24 1.45 0.64



!! R14  

assign (resid 14 and name HA ) (resid 14 and name HN ) 3.73 1.90 0.74

assign (resid 14 and name HA ) (resid 14 and name HB1 ) 2.86 1.06 0.60  

assign (resid 14 and name HA ) (resid 14 and name HB2 ) 2.61 0.81 0.52  

assign (resid 14 and name HD1 ) (resid 14 and name HE ) 3.36 1.60 0.67

assign (resid 14 and name HD2 ) (resid 14 and name HE ) 3.20 1.40 0.64

assign (resid 14 and name HA ) (resid 15 and name HN ) 3.30 1.50 0.66

assign (resid 14 and name HB1 ) (resid 16 and name HN ) 3.71 1.91 0.80

assign (resid 14 and name HB2 ) (resid 16 and name HN ) 2.98 1.18 0.60  

assign (resid 14 and name HD1 ) (resid 17 and name HE1 ) 3.32 1.50 0.66

assign (resid 14 and name HD2 ) (resid 17 and name HE1 ) 3.11 1.30 0.62

assign (resid 14 and name HN ) (resid 17 and name HB1 ) 3.09 1.30 1.00

assign (resid 14 and name HN ) (resid 17 and name HB2 ) 3.31 1.31 1.00

assign (resid 14 and name HB1 ) (resid 17 and name HN ) 2.94 1.10 0.60

assign (resid 14 and name HB1 ) (resid 17 and name HD2 ) 3.54 1.70 0.80  



!! S15   

assign (resid 15 and name HA ) (resid 15 and name HN ) 2.84 1.00 0.30

assign (resid 15 and name HB2 ) (resid 15 and name HN ) 2.94 1.10 0.58

assign (resid 15 and name HA ) (resid 16 and name HN ) 3.39 1.60 0.68

assign (resid 15 and name HB2 ) (resid 16 and name HN ) 3.46 1.66 0.70

assign (resid 15 and name HB1 ) (resid 16 and name HN ) 3.33 1.53 0.66

assign (resid 15 and name HA ) (resid 18 and name HB2 ) 2.65 0.85 2.00

assign (resid 15 and name HA ) (resid 18 and name HN ) 3.07 1.27 0.90

assign (resid 15 and name HB2 ) (resid 18 and name HD1# ) 3.61 1.80 1.36 

assign (resid 15 and name HA ) (resid 18 and name HD1# ) 3.12 1.30 1.31 

assign (resid 15 and name HA ) (resid 18 and name HD2# ) 2.91 1.10 0.90



!! D16   

assign (resid 16 and name HA ) (resid 16 and name HN ) 2.81 1.00 0.30

assign (resid 16 and name HN ) (resid 17 and name HN ) 3.35 1.55 0.67

assign (resid 16 and name HB1 ) (resid 17 and name HN ) 3.71 1.90 0.74

assign (resid 16 and name HB2 ) (resid 17 and name HN ) 3.81 2.00 0.76

assign (resid 16 and name HB2 ) (resid 17 and name HD2 ) 4.12 2.30 0.82

assign (resid 16 and name HB1 ) (resid 19 and name HB1 )  3.38 1.58 0.68

assign (resid 16 and name HB2 ) (resid 19 and name HB1 )  3.46 1.66 0.70



!! H17    

assign (resid 17 and name HN ) (resid 17 and name HA ) 2.62 0.80 0.30

assign (resid 17 and name HD2 ) (resid 17 and name HE1 ) 3.60 1.80 0.72

assign (resid 17 and name HA ) (resid 18 and name HN ) 3.11 1.31 0.62

!assign (resid 17 and name HD2 ) (resid 20 and name HB# ) 3.62 1.80 2.20

assign (resid 17 and name HA ) (resid 20 and name HB# ) 2.57 0.76 2.00

! assign (resid 17 and name HA ) (resid 20 and name HB' ) 3.50 0.77 1.50 

assign (resid 17 and name HA ) (resid 20 and name HN ) 3.06 1.26 2.00

!assign (resid 17 and name HB1 ) (resid 20 and name HN ) 3.50 1.70 1.50



!! L18  

!assign (resid 18 and name HN ) (resid 18 and name HA ) 2.53 0.73 1.00 

assign (resid 18 and name HN ) (resid 18 and name HB2 ) 2.48 0.68 0.50

assign (resid 18 and name HN ) (resid 18 and name HB1 ) 4.02 2.21 0.81

assign (resid 18 and name HN ) (resid 18 and name HD1# ) 2.61 0.81 1.30

assign (resid 18 and name HN ) (resid 18 and name HD2# ) 3.16 1.38 1.63

assign (resid 18 and name HN ) (resid 19 and name HN ) 2.68 0.88 0.30

!assign (resid 18 and name HN ) (resid 19 and name HB1 )  3.59 1.80 0.72

assign (resid 18 and name HN ) (resid 19 and name HA ) 3.69 1.89 1.20

assign (resid 18 and name HA ) (resid 19 and name HN ) 3.49 1.70 0.70

assign (resid 18 and name HD2# ) (resid 19 and name HN ) 2.93 1.10 1.29

assign (resid 18 and name HD1# ) (resid 19 and name HN ) 3.26 1.46 1.33

assign (resid 18 and name HB2 ) (resid 21 and name HN ) 3.00 1.20 2.00



!! S19   

!assign (resid 19 and name n ) (resid 19 and name ca) (resid 19 and name cb) (resid 19 and name og) 1.0 -60.0 30.0 2

assign (resid 19 and name HN ) (resid 19 and name HA ) 2.69 0.90 0.30

assign (resid 19 and name HN ) (resid 19 and name HB2 )  2.35 0.55 1.00

assign (resid 19 and name HN ) (resid 20 and name HN ) 2.85 1.05 0.29

assign (resid 19 and name HB1 ) (resid 20 and name HN ) 2.69 0.89 0.30

assign (resid 19 and name HB2 ) (resid 20 and name HN ) 3.06 1.26 1.50 

assign (resid 19 and name HA ) (resid 22 and name HG2# ) 2.56 0.76 1.26

assign (resid 19 and name HA ) (resid 22 and name HD# ) 2.60 0.80 1.26

assign (resid 19 and name HA ) (resid 22 and name HB) 2.59 0.80 2.00

assign (resid 19 and name HA ) (resid 22 and name HN ) 3.02 1.22 0.60



!! K20   

assign (resid 20 and name HN ) (resid 20 and name HA ) 2.61 0.81 0.30

assign (resid 20 and name HN ) (resid 20 and name HB# ) 2.21 0.41 1.90

assign (resid 20 and name HA ) (resid 20 and name HG# ) 3.03 1.23 2.00

assign (resid 20 and name HA ) (resid 21 and name HN ) 3.07 1.27 0.60

assign (resid 20 and name HB# ) (resid 21 and name HN ) 2.49 0.69 0.30

assign (resid 20 and name HA ) (resid 23 and name HG# ) 3.19 1.39 1.32

assign (resid 20 and name HA ) (resid 23 and name HB ) 3.16 1.36 0.64



!! H21  

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

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

assign (resid 21 and name HN ) (resid 21 and name HB1 ) 2.57 0.77 0.60

assign (resid 21 and name HN ) (resid 21 and name HB2 ) 2.57 0.77 0.60

assign (resid 21 and name HN ) (resid 22 and name HN ) 3.90 2.10 0.80

assign (resid 21 and name HB1 ) (resid 22 and name HN ) 3.12 1.32 0.62

assign (resid 21 and name HD2 ) (resid 21 and name HE1 ) 3.97 1.00 0.80

assign (resid 21 and name HD2 ) (resid 24 and name HD1# ) 2.99 1.20 1.30

assign (resid 21 and name HD2 ) (resid 24 and name HD2# ) 3.93 2.10 1.30  !  



!! I22  

assign (resid 22 and name HN ) (resid 22 and name HA ) 2.61 0.80 0.30

assign (resid 22 and name HN ) (resid 22 and name HG11 ) 2.58 0.78 0.30  

!assign (resid 22 and name HN ) (resid 22 and name HG12 ) 2.84 1.00 0.30

assign (resid 22 and name HN ) (resid 22 and name HG2# ) 2.68 0.88 1.27

assign (resid 22 and name HN ) (resid 22 and name HD# ) 3.47 1.67 2.00

assign (resid 22 and name HG2# ) (resid 23 and name HN ) 3.00 0.88 1.54  

assign (resid 22 and name HN ) (resid 23 and name HN ) 2.67 0.87 0.30

assign (resid 22 and name HA ) (resid 23 and name HN ) 3.04 1.24 0.60

assign (resid 22 and name HB ) (resid 23 and name HN ) 2.84 1.04 0.30

!assign (resid 22 and name HN ) (resid 23 and name HG# ) 3.96 2.16 1.40  

assign (resid 22 and name HA ) (resid 24 and name HN ) 3.63 1.83 0.72

assign (resid 22 and name HA ) (resid 25 and name HB1 ) 3.12 1.32 1.88  

assign (resid 22 and name HA ) (resid 25 and name HB2 ) 3.71 1.91 1.30  

assign (resid 22 and name HA ) (resid 25 and name HN ) 2.61 0.81 0.60

assign (resid 22 and name HA ) (resid 25 and name HD2 ) 2.27 0.47 0.60

assign (resid 22 and name HB ) (resid 25 and name HD2 ) 4.03 2.23 0.81

assign (resid 22 and name HG2# ) (resid 25 and name HD2 ) 3.12 1.32 1.31 !

assign (resid 22 and name HG12 ) (resid 25 and name HD2 ) 4.22 2.42 0.85 !

assign (resid 22 and name HG11 ) (resid 25 and name HD2 ) 3.49 1.69 1.00 ! 



!! T23   

assign (resid 23 and name HN ) (resid 23 and name HB ) 2.64 0.84 0.30

assign (resid 23 and name HN ) (resid 23 and name HA ) 2.71 0.90 0.30

assign (resid 23 and name HA ) (resid 23 and name HG# ) 2.17 0.37 1.22

assign (resid 23 and name HB ) (resid 23 and name HG# ) 2.14 0.34 1.21

assign (resid 23 and name HN ) (resid 24 and name HN ) 4.25 2.45 0.86

assign (resid 23 and name HB ) (resid 24 and name HN ) 2.88 1.08 0.90

assign (resid 23 and name HA ) (resid 26 and name HB# ) 2.63 0.83 2.00 !

assign (resid 23 and name HA ) (resid 26 and name HN ) 2.99 1.19 0.90 ! 

!assign (resid 23 and name HA ) (resid 26 and name HG2 ) 3.14 1.34 0.63

assign (resid 23 and name HA ) (resid 26 and name HG# ) 4.01 2.21 2.50 !  

!assign (resid 23 and name HB ) (resid 26 and name HN ) 3.50 1.75 1.50 ! 



!! L24   

assign (resid 24 and name HN ) (resid 25 and name HN ) 3.50 1.70 0.70

assign (resid 24 and name HA ) (resid 25 and name HN ) 2.92 1.12 0.58

assign (resid 24 and name HG ) (resid 25 and name HN ) 3.17 1.37 0.64

assign (resid 24 and name HB# ) (resid 25 and name HN ) 4.13 2.33 2.50

assign (resid 24 and name HD1# ) (resid 25 and name HN ) 3.35 1.55 1.66

assign (resid 24 and name HD2# ) (resid 25 and name HN ) 3.80 2.00 1.76

assign (resid 24 and name HA ) (resid 27 and name HB# ) 2.89 1.10 0.30

assign (resid 24 and name HB# ) (resid 27 and name HN ) 3.50 1.75 1.50

assign (resid 24 and name HG ) (resid 27 and name HN ) 3.50 1.75 1.50

!assign (resid 24 and name HA ) (resid 27 and name HN ) 3.50 1.75 1.50



!! H25   

assign (resid 25 and name HD2 ) (resid 25 and name HE1 ) 3.65 1.00 0.73

assign (resid 25 and name HA ) (resid 25 and name HN ) 3.03 1.23 0.60

assign (resid 25 and name HD2 ) (resid 25 and name HB1 ) 2.91 1.11 0.30

!assign (resid 25 and name HD2 ) (resid 25 and name HB2 ) 3.11 1.31 0.62  

assign (resid 25 and name HN ) (resid 25 and name HB1 ) 2.85 1.00 0.50

assign (resid 25 and name HN ) (resid 25 and name HB2 ) 2.79 1.00 0.50  

assign (resid 8 and name HA ) (resid 25 and name HE1 ) 3.61 1.80 1.50

assign (resid 25 and name HN ) (resid 26 and name HN ) 2.70 0.90 0.50  

assign (resid 25 and name HA ) (resid 26 and name HN ) 3.25 1.45 0.66

assign (resid 25 and name HB1 ) (resid 26 and name HN ) 3.16 1.36 0.64

assign (resid 25 and name HB2 ) (resid 26 and name HN ) 3.61 1.80 0.72

assign (resid 25 and name HA ) (resid 27 and name HD## ) 3.00 1.20 2.00

assign (resid 25 and name HA ) (resid 28 and name HN ) 3.50 1.70 1.50





!! E26  

assign (resid 26 and name HN ) (resid 26 and name HB# ) 2.42 0.62 2.00

assign (resid 26 and name HA ) (resid 26 and name HN ) 2.71 0.90 0.81  

assign (resid 26 and name HN ) (resid 26 and name HG# ) 3.43 1.63 2.68

assign (resid 26 and name HN ) (resid 27 and name HN ) 3.95 2.15 0.80

assign (resid 26 and name HA ) (resid 27 and name HN ) 3.05 1.25 1.00

assign (resid 26 and name HA ) (resid 27 and name HB# ) 3.67 1.87 2.40

assign (resid 26 and name HB# ) (resid 27 and name HN ) 2.75 0.95 2.00

assign (resid 26 and name HG1 ) (resid 27 and name HN ) 3.55 1.75 0.70

!! L27  

assign (resid 27 and name HB# ) (resid 27 and name HA ) 2.89 1.10 0.60

!! L28  

assign (resid 28 and name HB# ) (resid 29 and name HA# ) 3.50 1.70 1.50

!! G29 

assign (resid 29 and name HN ) (resid 29 and name HA# ) 2.24 0.44 2.20

assign (resid 29 and name HA# ) (resid 30 and name HB# ) 3.92 1.12 1.10

assign (resid 29 and name HA# ) (resid 30 and name HN ) 2.92 1.12 2.00

!! E30 

!! E31 

assign (resid 31 and name HN ) (resid 31 and name HA ) 2.24 0.44 1.00






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    TYR   1           H        TYR   1 -13.474  12.695   2.740
    2    HA   TYR   1           HA       TYR   1 -13.051  11.100   1.155
    3   1HB   TYR   1          1HB       TYR   1 -14.651  10.773  -0.767
    4   2HB   TYR   1          2HB       TYR   1 -15.255  10.241   0.796
    5    HD1  TYR   1           HD1      TYR   1 -17.148  11.308   1.824
    6    HD2  TYR   1           HD2      TYR   1 -15.558  12.804  -1.830
    7    HE1  TYR   1           HE1      TYR   1 -19.153  12.697   1.526
    8    HE2  TYR   1           HE2      TYR   1 -17.560  14.197  -2.135
    9    HH   TYR   1           HH       TYR   1 -20.268  13.808  -0.968
   10    H    LYS   2           H        LYS   2 -11.903  11.521  -0.729
   11    HA   LYS   2           HA       LYS   2 -12.256  13.749  -2.406
   12   1HB   LYS   2          1HB       LYS   2 -11.488  14.803  -0.162
   13   2HB   LYS   2          2HB       LYS   2  -9.905  14.162  -0.579
   14   1HG   LYS   2          1HG       LYS   2 -10.502  15.416  -2.876
   15   2HG   LYS   2          2HG       LYS   2 -11.409  16.416  -1.739
   16   1HD   LYS   2          1HD       LYS   2  -9.092  16.218  -0.402
   17   2HD   LYS   2          2HD       LYS   2  -8.488  16.057  -2.052
   18   1HE   LYS   2          1HE       LYS   2  -9.655  18.144  -2.653
   19   2HE   LYS   2          2HE       LYS   2 -10.181  18.311  -0.979
   20   1HZ   LYS   2          1HZ       LYS   2  -8.236  19.656  -1.400
   21   2HZ   LYS   2          2HZ       LYS   2  -7.366  18.306  -1.929
   22   3HZ   LYS   2          3HZ       LYS   2  -7.848  18.419  -0.312
   23    H    PHE   3           H        PHE   3  -9.820  11.631  -0.911
   24    HA   PHE   3           HA       PHE   3  -8.418  11.426  -3.484
   25   1HB   PHE   3          1HB       PHE   3  -7.485  11.707  -0.885
   26   2HB   PHE   3          2HB       PHE   3  -7.255   9.998  -1.223
   27    HD1  PHE   3           HD1      PHE   3  -6.782  13.192  -3.105
   28    HD2  PHE   3           HD2      PHE   3  -5.150   9.460  -1.886
   29    HE1  PHE   3           HE1      PHE   3  -4.701  13.711  -4.306
   30    HE2  PHE   3           HE2      PHE   3  -3.067   9.960  -3.083
   31    HZ   PHE   3           HZ       PHE   3  -2.839  12.095  -4.302
   32    H    ALA   4           H        ALA   4  -7.269   9.028  -3.443
   33    HA   ALA   4           HA       ALA   4  -8.940   6.882  -2.654
   34   1HB   ALA   4          1HB       ALA   4  -8.997   7.664  -5.559
   35   2HB   ALA   4          2HB       ALA   4 -10.364   7.546  -4.450
   36   3HB   ALA   4          3HB       ALA   4  -9.506   6.088  -4.951
   37    H    CYS   5           H        CYS   5  -7.544   5.330  -2.198
   38    HA   CYS   5           HA       CYS   5  -4.858   5.296  -2.888
   39   1HB   CYS   5          1HB       CYS   5  -6.666   3.018  -2.068
   40   2HB   CYS   5          2HB       CYS   5  -4.909   2.910  -2.135
   41    HG   CYS   5           HG       CYS   5  -6.110   3.569   0.287
   42    HA   PRO   6           HA       PRO   6  -4.792   3.701  -7.026
   43   1HB   PRO   6          1HB       PRO   6  -2.281   2.692  -7.096
   44   2HB   PRO   6          2HB       PRO   6  -2.611   4.429  -7.114
   45   1HG   PRO   6          1HG       PRO   6  -1.800   2.678  -4.825
   46   2HG   PRO   6          2HG       PRO   6  -1.220   4.298  -5.255
   47   1HD   PRO   6          1HD       PRO   6  -3.064   3.859  -3.311
   48   2HD   PRO   6          2HD       PRO   6  -3.034   5.337  -4.293
   49    H    GLU   7           H        GLU   7  -4.369   1.692  -4.236
   50    HA   GLU   7           HA       GLU   7  -4.570  -0.752  -5.842
   51   1HB   GLU   7          1HB       GLU   7  -3.633  -0.157  -3.067
   52   2HB   GLU   7          2HB       GLU   7  -4.223  -1.769  -3.439
   53   1HG   GLU   7          1HG       GLU   7  -2.397  -0.944  -5.473
   54   2HG   GLU   7          2HG       GLU   7  -1.662  -0.697  -3.890
   55    H    CYS   8           H        CYS   8  -6.094   0.775  -2.973
   56    HA   CYS   8           HA       CYS   8  -8.421  -0.969  -3.411
   57   1HB   CYS   8          1HB       CYS   8  -9.073  -0.579  -1.147
   58   2HB   CYS   8          2HB       CYS   8  -7.403  -1.059  -1.165
   59    HG   CYS   8           HG       CYS   8  -7.247   0.895   0.364
   60    HA   PRO   9           HA       PRO   9 -11.085   2.335  -4.415
   61   1HB   PRO   9          1HB       PRO   9 -13.436   1.361  -3.578
   62   2HB   PRO   9          2HB       PRO   9 -12.519   0.578  -4.870
   63   1HG   PRO   9          1HG       PRO   9 -12.787  -0.195  -2.000
   64   2HG   PRO   9          2HG       PRO   9 -12.705  -1.227  -3.437
   65   1HD   PRO   9          1HD       PRO   9 -10.568  -0.657  -1.729
   66   2HD   PRO   9          2HD       PRO   9 -10.424  -1.295  -3.369
   67    H    LYS  10           H        LYS  10 -10.175   1.934  -1.251
   68    HA   LYS  10           HA       LYS  10 -12.116   3.299   0.228
   69   1HB   LYS  10          1HB       LYS  10  -9.165   2.884   0.621
   70   2HB   LYS  10          2HB       LYS  10 -10.106   3.847   1.749
   71   1HG   LYS  10          1HG       LYS  10 -11.110   1.136   1.080
   72   2HG   LYS  10          2HG       LYS  10  -9.681   1.261   2.106
   73   1HD   LYS  10          1HD       LYS  10 -11.145   1.466   3.792
   74   2HD   LYS  10          2HD       LYS  10 -11.344   3.123   3.220
   75   1HE   LYS  10          1HE       LYS  10 -12.987   1.273   1.720
   76   2HE   LYS  10          2HE       LYS  10 -13.322   1.180   3.448
   77   1HZ   LYS  10          1HZ       LYS  10 -13.316   3.686   1.852
   78   2HZ   LYS  10          2HZ       LYS  10 -13.726   3.542   3.487
   79   3HZ   LYS  10          3HZ       LYS  10 -14.703   2.829   2.304
   80    H    ARG  11           H        ARG  11 -12.670   5.350   0.379
   81    HA   ARG  11           HA       ARG  11 -11.000   7.363  -0.962
   82   1HB   ARG  11          1HB       ARG  11 -13.047   8.742  -1.079
   83   2HB   ARG  11          2HB       ARG  11 -13.227   7.204  -1.908
   84   1HG   ARG  11          1HG       ARG  11 -14.193   6.544   0.519
   85   2HG   ARG  11          2HG       ARG  11 -14.618   8.255   0.464
   86   1HD   ARG  11          1HD       ARG  11 -15.215   6.460  -1.858
   87   2HD   ARG  11          2HD       ARG  11 -16.287   6.500  -0.459
   88    HE   ARG  11           HE       ARG  11 -15.866   9.131  -1.241
   89   1HH1  ARG  11          1HH1      ARG  11 -17.315   6.238  -2.576
   90   2HH1  ARG  11          2HH1      ARG  11 -18.456   7.109  -3.543
   91   1HH2  ARG  11          1HH2      ARG  11 -17.372  10.273  -2.515
   92   2HH2  ARG  11          2HH2      ARG  11 -18.490   9.400  -3.510
   93    H    PHE  12           H        PHE  12  -9.806   8.572   0.337
   94    HA   PHE  12           HA       PHE  12 -10.653   8.951   3.123
   95   1HB   PHE  12          1HB       PHE  12  -7.960   9.598   1.914
   96   2HB   PHE  12          2HB       PHE  12  -8.368   9.559   3.617
   97    HD1  PHE  12           HD1      PHE  12  -7.224   7.888   4.664
   98    HD2  PHE  12           HD2      PHE  12  -8.858   7.097   0.812
   99    HE1  PHE  12           HE1      PHE  12  -6.410   5.570   4.792
  100    HE2  PHE  12           HE2      PHE  12  -8.053   4.782   0.941
  101    HZ   PHE  12           HZ       PHE  12  -6.815   4.008   2.930
  102    H    MET  13           H        MET  13  -9.973  11.180   4.045
  103    HA   MET  13           HA       MET  13 -11.308  13.177   2.457
  104   1HB   MET  13          1HB       MET  13 -11.516  12.872   4.976
  105   2HB   MET  13          2HB       MET  13  -9.933  13.628   5.100
  106   1HG   MET  13          1HG       MET  13 -11.575  15.255   3.447
  107   2HG   MET  13          2HG       MET  13 -12.473  14.858   4.911
  108   1HE   MET  13          1HE       MET  13 -12.219  16.408   7.061
  109   2HE   MET  13          2HE       MET  13 -10.595  16.495   7.744
  110   3HE   MET  13          3HE       MET  13 -11.275  14.934   7.282
  111    H    ARG  14           H        ARG  14  -7.968  12.584   3.499
  112    HA   ARG  14           HA       ARG  14  -7.116  14.752   1.686
  113   1HB   ARG  14          1HB       ARG  14  -5.920  14.050   4.373
  114   2HB   ARG  14          2HB       ARG  14  -5.224  15.194   3.237
  115   1HG   ARG  14          1HG       ARG  14  -7.017  16.710   3.516
  116   2HG   ARG  14          2HG       ARG  14  -7.988  15.510   4.372
  117   1HD   ARG  14          1HD       ARG  14  -7.141  16.961   6.031
  118   2HD   ARG  14          2HD       ARG  14  -6.180  15.487   6.132
  119    HE   ARG  14           HE       ARG  14  -5.098  17.646   4.508
  120   1HH1  ARG  14          1HH1      ARG  14  -5.067  15.964   7.583
  121   2HH1  ARG  14          2HH1      ARG  14  -3.509  16.568   8.033
  122   1HH2  ARG  14          1HH2      ARG  14  -3.049  18.434   5.109
  123   2HH2  ARG  14          2HH2      ARG  14  -2.363  17.971   6.631
  124    H    SER  15           H        SER  15  -5.113  14.475   0.636
  125    HA   SER  15           HA       SER  15  -4.576  11.928  -0.347
  126   1HB   SER  15          1HB       SER  15  -3.886  13.926  -1.550
  127   2HB   SER  15          2HB       SER  15  -2.769  14.359  -0.257
  128    HG   SER  15           HG       SER  15  -1.789  13.285  -2.089
  129    H    ASP  16           H        ASP  16  -2.991  13.699   2.296
  130    HA   ASP  16           HA       ASP  16  -0.911  11.861   2.747
  131   1HB   ASP  16          1HB       ASP  16  -1.012  12.857   5.154
  132   2HB   ASP  16          2HB       ASP  16  -0.538  13.882   3.806
  133    H    HIS  17           H        HIS  17  -4.259  11.880   3.818
  134    HA   HIS  17           HA       HIS  17  -4.114   9.992   5.877
  135   1HB   HIS  17          1HB       HIS  17  -6.339  10.525   3.896
  136   2HB   HIS  17          2HB       HIS  17  -6.510   9.499   5.313
  137    HD1  HIS  17           HD1      HIS  17  -8.447  11.561   5.525
  138    HD2  HIS  17           HD2      HIS  17  -4.496  12.386   6.503
  139    HE1  HIS  17           HE1      HIS  17  -8.528  13.612   6.978
  140    HE2  HIS  17           HE2      HIS  17  -6.136  14.018   7.654
  141    H    LEU  18           H        LEU  18  -3.906   9.613   2.425
  142    HA   LEU  18           HA       LEU  18  -4.168   6.705   2.584
  143   1HB   LEU  18          1HB       LEU  18  -3.637   8.403   0.162
  144   2HB   LEU  18          2HB       LEU  18  -4.099   6.716   0.181
  145    HG   LEU  18           HG       LEU  18  -6.257   7.533   1.310
  146   1HD1  LEU  18          1HD1      LEU  18  -5.757   9.751   1.866
  147   2HD1  LEU  18          2HD1      LEU  18  -6.835   9.864   0.481
  148   3HD1  LEU  18          3HD1      LEU  18  -5.101  10.096   0.267
  149   1HD2  LEU  18          1HD2      LEU  18  -6.511   6.638  -0.792
  150   2HD2  LEU  18          2HD2      LEU  18  -5.451   7.834  -1.538
  151   3HD2  LEU  18          3HD2      LEU  18  -7.079   8.289  -1.037
  152    H    SER  19           H        SER  19  -1.890   9.145   1.356
  153    HA   SER  19           HA       SER  19   0.189   7.711   0.488
  154   1HB   SER  19          1HB       SER  19   0.374  10.095   0.533
  155   2HB   SER  19          2HB       SER  19   0.297  10.139   2.295
  156    HG   SER  19           HG       SER  19   2.362   9.729   2.379
  157    H    LYS  20           H        LYS  20  -0.528   8.139   3.942
  158    HA   LYS  20           HA       LYS  20   1.744   6.534   4.735
  159   1HB   LYS  20          1HB       LYS  20  -0.498   7.899   6.190
  160   2HB   LYS  20          2HB       LYS  20   0.476   6.691   7.019
  161   1HG   LYS  20          1HG       LYS  20   2.438   7.974   6.801
  162   2HG   LYS  20          2HG       LYS  20   1.692   9.051   5.617
  163   1HD   LYS  20          1HD       LYS  20   0.231   8.964   8.132
  164   2HD   LYS  20          2HD       LYS  20   1.899   9.502   8.334
  165   1HE   LYS  20          1HE       LYS  20   0.180  10.652   6.167
  166   2HE   LYS  20          2HE       LYS  20   0.051  11.248   7.821
  167   1HZ   LYS  20          1HZ       LYS  20   2.510  11.221   6.154
  168   2HZ   LYS  20          2HZ       LYS  20   2.441  11.724   7.768
  169   3HZ   LYS  20          3HZ       LYS  20   1.601  12.583   6.579
  170    H    HIS  21           H        HIS  21  -1.715   6.101   4.265
  171    HA   HIS  21           HA       HIS  21  -1.788   3.472   5.421
  172   1HB   HIS  21          1HB       HIS  21  -3.872   4.373   5.624
  173   2HB   HIS  21          2HB       HIS  21  -3.726   5.321   4.152
  174    HD1  HIS  21           HD1      HIS  21  -5.677   2.654   5.433
  175    HD2  HIS  21           HD2      HIS  21  -3.803   3.372   1.806
  176    HE1  HIS  21           HE1      HIS  21  -6.861   1.207   3.724
  177    H    ILE  22           H        ILE  22  -1.392   4.762   2.148
  178    HA   ILE  22           HA       ILE  22  -1.942   2.364   0.791
  179    HB   ILE  22           HB       ILE  22  -0.376   3.365  -1.021
  180   1HG1  ILE  22          1HG1      ILE  22  -0.873   6.053  -0.293
  181   2HG1  ILE  22          2HG1      ILE  22  -0.088   5.270   1.075
  182   1HG2  ILE  22          1HG2      ILE  22  -3.011   4.538  -0.167
  183   2HG2  ILE  22          2HG2      ILE  22  -2.717   3.285  -1.372
  184   3HG2  ILE  22          3HG2      ILE  22  -2.228   4.949  -1.692
  185   1HD1  ILE  22          1HD1      ILE  22   1.463   6.362  -0.533
  186   2HD1  ILE  22          2HD1      ILE  22   0.969   5.167  -1.732
  187   3HD1  ILE  22          3HD1      ILE  22   1.785   4.651  -0.256
  188    H    THR  23           H        THR  23   1.166   3.673   1.859
  189    HA   THR  23           HA       THR  23   2.807   1.711   0.827
  190    HB   THR  23           HB       THR  23   3.075   3.168   3.468
  191    HG1  THR  23           HG1      THR  23   3.252   4.725   2.042
  192   1HG2  THR  23          1HG2      THR  23   5.111   1.606   1.905
  193   2HG2  THR  23          2HG2      THR  23   4.629   1.388   3.587
  194   3HG2  THR  23          3HG2      THR  23   5.534   2.824   3.108
  195    H    LEU  24           H        LEU  24   0.752   1.533   3.678
  196    HA   LEU  24           HA       LEU  24   1.779  -1.118   4.358
  197   1HB   LEU  24          1HB       LEU  24   0.228  -0.966   6.291
  198   2HB   LEU  24          2HB       LEU  24   1.412   0.332   6.233
  199    HG   LEU  24           HG       LEU  24  -0.631   1.440   4.868
  200   1HD1  LEU  24          1HD1      LEU  24  -2.246   0.476   7.085
  201   2HD1  LEU  24          2HD1      LEU  24  -1.844  -0.778   5.912
  202   3HD1  LEU  24          3HD1      LEU  24  -2.660   0.696   5.384
  203   1HD2  LEU  24          1HD2      LEU  24  -0.322   1.543   7.861
  204   2HD2  LEU  24          2HD2      LEU  24  -1.033   2.781   6.826
  205   3HD2  LEU  24          3HD2      LEU  24   0.690   2.420   6.714
  206    H    HIS  25           H        HIS  25  -1.258   0.428   3.326
  207    HA   HIS  25           HA       HIS  25  -2.769  -1.956   3.325
  208   1HB   HIS  25          1HB       HIS  25  -4.451  -0.526   2.995
  209   2HB   HIS  25          2HB       HIS  25  -3.308   0.786   2.842
  210    HD1  HIS  25           HD1      HIS  25  -4.915  -1.831   0.579
  211    HD2  HIS  25           HD2      HIS  25  -3.487   2.072   0.497
  212    HE1  HIS  25           HE1      HIS  25  -5.478  -0.912  -1.704
  213    H    GLU  26           H        GLU  26  -0.581  -0.502   1.015
  214    HA   GLU  26           HA       GLU  26  -1.392  -2.126  -1.197
  215   1HB   GLU  26          1HB       GLU  26   0.506  -1.279  -2.347
  216   2HB   GLU  26          2HB       GLU  26  -0.101   0.048  -1.370
  217   1HG   GLU  26          1HG       GLU  26   2.052   0.287  -0.807
  218   2HG   GLU  26          2HG       GLU  26   1.700  -1.011   0.331
  219    H    LEU  27           H        LEU  27   0.543  -2.591   1.641
  220    HA   LEU  27           HA       LEU  27   2.097  -4.789   0.618
  221   1HB   LEU  27          1HB       LEU  27   1.476  -3.995   3.465
  222   2HB   LEU  27          2HB       LEU  27   2.639  -5.217   2.996
  223   1HD1  LEU  27          1HD1      LEU  27   3.989  -1.689   3.933
  224   2HD1  LEU  27          2HD1      LEU  27   4.306  -3.332   4.492
  225   3HD1  LEU  27          3HD1      LEU  27   2.678  -2.662   4.601
  226   1HD2  LEU  27          1HD2      LEU  27   4.255  -4.260   1.035
  227   2HD2  LEU  27          2HD2      LEU  27   4.984  -4.499   2.622
  228   3HD2  LEU  27          3HD2      LEU  27   5.214  -2.974   1.767
  229    H    LEU  28           H        LEU  28  -0.368  -4.792   3.204
  230    HA   LEU  28           HA       LEU  28  -1.141  -7.500   2.361
  231   1HB   LEU  28          1HB       LEU  28  -1.514  -6.065   4.990
  232   2HB   LEU  28          2HB       LEU  28  -2.174  -7.650   4.634
  233    HG   LEU  28           HG       LEU  28   0.466  -8.032   4.051
  234   1HD1  LEU  28          1HD1      LEU  28   0.360  -6.192   6.437
  235   2HD1  LEU  28          2HD1      LEU  28   1.046  -5.793   4.861
  236   3HD1  LEU  28          3HD1      LEU  28   1.777  -7.060   5.846
  237   1HD2  LEU  28          1HD2      LEU  28  -0.962  -9.509   5.364
  238   2HD2  LEU  28          2HD2      LEU  28  -0.892  -8.386   6.722
  239   3HD2  LEU  28          3HD2      LEU  28   0.570  -9.218   6.187
  240    H    GLY  29           H        GLY  29  -2.619  -4.495   3.620
  241   1HA   GLY  29          1HA       GLY  29  -4.452  -3.436   2.481
  242   2HA   GLY  29          2HA       GLY  29  -4.934  -5.012   1.873
  243    H    GLU  30           H        GLU  30  -4.624  -3.123   4.863
  244    HA   GLU  30           HA       GLU  30  -6.504  -4.856   6.240
  245   1HB   GLU  30          1HB       GLU  30  -4.448  -3.813   7.316
  246   2HB   GLU  30          2HB       GLU  30  -5.314  -2.282   7.270
  247   1HG   GLU  30          1HG       GLU  30  -7.140  -3.949   8.441
  248   2HG   GLU  30          2HG       GLU  30  -5.610  -4.557   9.070
  249    H    GLU  31           H        GLU  31  -8.601  -4.613   5.852
  250    HA   GLU  31           HA       GLU  31  -9.655  -1.921   5.323
  251   1HB   GLU  31          1HB       GLU  31 -10.000  -3.975   3.735
  252   2HB   GLU  31          2HB       GLU  31 -11.242  -4.427   4.895
  253   1HG   GLU  31          1HG       GLU  31 -12.425  -3.241   3.311
  254   2HG   GLU  31          2HG       GLU  31 -12.122  -2.030   4.555
  255    H    ARG  32           H        ARG  32 -11.321  -1.065   6.507
  256    HA   ARG  32           HA       ARG  32 -11.601  -1.961   9.193
  257   1HB   ARG  32          1HB       ARG  32 -12.382   0.349   7.623
  258   2HB   ARG  32          2HB       ARG  32 -13.681  -0.156   8.695
  259   1HG   ARG  32          1HG       ARG  32 -10.945   0.058   9.829
  260   2HG   ARG  32          2HG       ARG  32 -11.815   1.547   9.459
  261   1HD   ARG  32          1HD       ARG  32 -12.160   0.826  11.783
  262   2HD   ARG  32          2HD       ARG  32 -13.664   0.852  10.863
  263    HE   ARG  32           HE       ARG  32 -13.844  -1.410  11.155
  264   1HH1  ARG  32          1HH1      ARG  32 -10.564  -0.454  11.932
  265   2HH1  ARG  32          2HH1      ARG  32 -10.126  -2.012  12.546
  266   1HH2  ARG  32          1HH2      ARG  32 -13.254  -3.464  11.961
  267   2HH2  ARG  32          2HH2      ARG  32 -11.649  -3.719  12.561
  268    H    ARG  33           H        ARG  33 -13.873  -1.845   6.447
  269    HA   ARG  33           HA       ARG  33 -15.583  -3.767   7.880
  270   1HB   ARG  33          1HB       ARG  33 -16.266  -1.738   5.749
  271   2HB   ARG  33          2HB       ARG  33 -17.383  -2.978   6.304
  272   1HG   ARG  33          1HG       ARG  33 -17.007  -2.016   8.643
  273   2HG   ARG  33          2HG       ARG  33 -16.288  -0.631   7.817
  274   1HD   ARG  33          1HD       ARG  33 -18.904  -1.531   6.792
  275   2HD   ARG  33          2HD       ARG  33 -18.910  -0.843   8.415
  276    HE   ARG  33           HE       ARG  33 -17.521   0.719   6.412
  277   1HH1  ARG  33          1HH1      ARG  33 -20.548   0.165   8.089
  278   2HH1  ARG  33          2HH1      ARG  33 -21.165   1.746   7.749
  279   1HH2  ARG  33          1HH2      ARG  33 -18.340   2.799   5.971
  280   2HH2  ARG  33          2HH2      ARG  33 -19.913   3.242   6.546
  Start of MODEL    2
    1    H    TYR   1           H        TYR   1 -13.118  15.137  -0.033
    2    HA   TYR   1           HA       TYR   1 -12.342  13.090   1.099
    3   1HB   TYR   1          1HB       TYR   1 -15.337  12.626   1.175
    4   2HB   TYR   1          2HB       TYR   1 -14.120  11.402   1.516
    5    HD1  TYR   1           HD1      TYR   1 -12.931  11.384   3.618
    6    HD2  TYR   1           HD2      TYR   1 -15.744  14.457   2.752
    7    HE1  TYR   1           HE1      TYR   1 -12.923  12.052   5.985
    8    HE2  TYR   1           HE2      TYR   1 -15.742  15.134   5.115
    9    HH   TYR   1           HH       TYR   1 -13.892  14.858   7.111
   10    H    LYS   2           H        LYS   2 -11.610  13.576  -1.146
   11    HA   LYS   2           HA       LYS   2 -12.872  11.702  -3.014
   12   1HB   LYS   2          1HB       LYS   2 -12.235  14.595  -3.561
   13   2HB   LYS   2          2HB       LYS   2 -12.381  13.416  -4.857
   14   1HG   LYS   2          1HG       LYS   2 -14.554  13.943  -2.845
   15   2HG   LYS   2          2HG       LYS   2 -14.434  14.771  -4.398
   16   1HD   LYS   2          1HD       LYS   2 -14.260  11.842  -4.552
   17   2HD   LYS   2          2HD       LYS   2 -15.808  12.460  -3.972
   18   1HE   LYS   2          1HE       LYS   2 -16.235  13.606  -5.944
   19   2HE   LYS   2          2HE       LYS   2 -14.535  13.635  -6.411
   20   1HZ   LYS   2          1HZ       LYS   2 -16.243  11.204  -6.354
   21   2HZ   LYS   2          2HZ       LYS   2 -14.635  11.282  -6.872
   22   3HZ   LYS   2          3HZ       LYS   2 -15.843  12.080  -7.746
   23    H    PHE   3           H        PHE   3 -10.861  10.691  -1.856
   24    HA   PHE   3           HA       PHE   3  -8.725  10.725  -3.819
   25   1HB   PHE   3          1HB       PHE   3  -8.283  12.400  -1.819
   26   2HB   PHE   3          2HB       PHE   3  -7.838  10.926  -0.968
   27    HD1  PHE   3           HD1      PHE   3  -6.921  13.272  -3.602
   28    HD2  PHE   3           HD2      PHE   3  -5.896   9.636  -1.658
   29    HE1  PHE   3           HE1      PHE   3  -4.678  13.368  -4.608
   30    HE2  PHE   3           HE2      PHE   3  -3.650   9.715  -2.652
   31    HZ   PHE   3           HZ       PHE   3  -3.039  11.590  -4.136
   32    H    ALA   4           H        ALA   4  -8.614   8.646  -4.354
   33    HA   ALA   4           HA       ALA   4  -8.839   6.632  -2.247
   34   1HB   ALA   4          1HB       ALA   4  -9.607   5.075  -3.972
   35   2HB   ALA   4          2HB       ALA   4  -9.474   6.356  -5.177
   36   3HB   ALA   4          3HB       ALA   4 -10.646   6.497  -3.866
   37    H    CYS   5           H        CYS   5  -7.400   4.907  -2.181
   38    HA   CYS   5           HA       CYS   5  -4.750   5.442  -2.975
   39   1HB   CYS   5          1HB       CYS   5  -5.896   2.765  -2.167
   40   2HB   CYS   5          2HB       CYS   5  -4.213   3.267  -2.071
   41    HG   CYS   5           HG       CYS   5  -6.117   3.563   0.122
   42    HA   PRO   6           HA       PRO   6  -4.395   3.831  -7.068
   43   1HB   PRO   6          1HB       PRO   6  -1.916   2.443  -6.265
   44   2HB   PRO   6          2HB       PRO   6  -2.152   3.716  -7.466
   45   1HG   PRO   6          1HG       PRO   6  -0.931   4.207  -5.132
   46   2HG   PRO   6          2HG       PRO   6  -1.985   5.407  -5.902
   47   1HD   PRO   6          1HD       PRO   6  -2.559   3.574  -3.606
   48   2HD   PRO   6          2HD       PRO   6  -3.015   5.276  -3.832
   49    H    GLU   7           H        GLU   7  -4.212   1.678  -4.325
   50    HA   GLU   7           HA       GLU   7  -4.662  -0.661  -6.024
   51   1HB   GLU   7          1HB       GLU   7  -2.899  -0.900  -4.384
   52   2HB   GLU   7          2HB       GLU   7  -3.990  -0.433  -3.090
   53   1HG   GLU   7          1HG       GLU   7  -3.693  -2.796  -3.019
   54   2HG   GLU   7          2HG       GLU   7  -5.337  -2.460  -3.559
   55    H    CYS   8           H        CYS   8  -6.092   0.865  -3.092
   56    HA   CYS   8           HA       CYS   8  -8.554  -0.636  -3.667
   57   1HB   CYS   8          1HB       CYS   8  -9.231  -0.294  -1.399
   58   2HB   CYS   8          2HB       CYS   8  -7.617  -0.938  -1.414
   59    HG   CYS   8           HG       CYS   8  -7.426   0.917   0.271
   60    HA   PRO   9           HA       PRO   9 -10.914   2.928  -4.530
   61   1HB   PRO   9          1HB       PRO   9 -13.357   2.018  -3.963
   62   2HB   PRO   9          2HB       PRO   9 -12.383   1.281  -5.241
   63   1HG   PRO   9          1HG       PRO   9 -12.907   0.318  -2.462
   64   2HG   PRO   9          2HG       PRO   9 -12.782  -0.610  -3.966
   65   1HD   PRO   9          1HD       PRO   9 -10.738  -0.289  -2.080
   66   2HD   PRO   9          2HD       PRO   9 -10.520  -0.827  -3.749
   67    H    LYS  10           H        LYS  10 -10.375   2.066  -1.322
   68    HA   LYS  10           HA       LYS  10 -12.291   3.339   0.184
   69   1HB   LYS  10          1HB       LYS  10  -9.360   2.879   0.603
   70   2HB   LYS  10          2HB       LYS  10 -10.274   3.823   1.772
   71   1HG   LYS  10          1HG       LYS  10 -11.892   1.768   1.720
   72   2HG   LYS  10          2HG       LYS  10 -10.470   0.926   1.101
   73   1HD   LYS  10          1HD       LYS  10 -10.159   0.594   3.339
   74   2HD   LYS  10          2HD       LYS  10  -9.311   2.132   3.154
   75   1HE   LYS  10          1HE       LYS  10 -10.991   3.334   4.176
   76   2HE   LYS  10          2HE       LYS  10 -12.228   2.141   3.784
   77   1HZ   LYS  10          1HZ       LYS  10 -11.531   2.271   6.182
   78   2HZ   LYS  10          2HZ       LYS  10 -10.051   1.597   5.718
   79   3HZ   LYS  10          3HZ       LYS  10 -11.484   0.727   5.491
   80    H    ARG  11           H        ARG  11 -12.944   5.352   0.431
   81    HA   ARG  11           HA       ARG  11 -11.378   7.512  -0.771
   82   1HB   ARG  11          1HB       ARG  11 -13.447   8.856  -0.532
   83   2HB   ARG  11          2HB       ARG  11 -13.684   7.403  -1.492
   84   1HG   ARG  11          1HG       ARG  11 -14.280   6.724   1.180
   85   2HG   ARG  11          2HG       ARG  11 -15.072   8.264   0.844
   86   1HD   ARG  11          1HD       ARG  11 -15.284   6.169  -1.237
   87   2HD   ARG  11          2HD       ARG  11 -16.168   5.890   0.263
   88    HE   ARG  11           HE       ARG  11 -16.587   8.510  -0.840
   89   1HH1  ARG  11          1HH1      ARG  11 -17.647   5.173  -0.944
   90   2HH1  ARG  11          2HH1      ARG  11 -19.225   5.565  -1.537
   91   1HH2  ARG  11          1HH2      ARG  11 -18.668   9.019  -1.618
   92   2HH2  ARG  11          2HH2      ARG  11 -19.805   7.748  -1.919
   93    H    PHE  12           H        PHE  12 -10.039   8.584   0.500
   94    HA   PHE  12           HA       PHE  12 -10.549   8.723   3.380
   95   1HB   PHE  12          1HB       PHE  12  -8.093   9.547   1.815
   96   2HB   PHE  12          2HB       PHE  12  -8.231   9.516   3.563
   97    HD1  PHE  12           HD1      PHE  12  -7.020   7.841   4.520
   98    HD2  PHE  12           HD2      PHE  12  -8.958   7.068   0.808
   99    HE1  PHE  12           HE1      PHE  12  -6.152   5.541   4.547
  100    HE2  PHE  12           HE2      PHE  12  -8.098   4.765   0.835
  101    HZ   PHE  12           HZ       PHE  12  -6.684   3.993   2.701
  102    H    MET  13           H        MET  13  -9.317  11.018   4.137
  103    HA   MET  13           HA       MET  13 -11.152  13.052   3.134
  104   1HB   MET  13          1HB       MET  13 -10.788  12.579   5.610
  105   2HB   MET  13          2HB       MET  13  -9.211  13.332   5.424
  106   1HG   MET  13          1HG       MET  13 -10.228  15.418   4.785
  107   2HG   MET  13          2HG       MET  13 -11.828  14.680   4.808
  108   1HE   MET  13          1HE       MET  13 -12.361  16.882   6.206
  109   2HE   MET  13          2HE       MET  13 -10.711  17.408   6.547
  110   3HE   MET  13          3HE       MET  13 -11.844  17.147   7.872
  111    H    ARG  14           H        ARG  14  -7.667  12.481   3.468
  112    HA   ARG  14           HA       ARG  14  -7.196  14.598   1.483
  113   1HB   ARG  14          1HB       ARG  14  -5.776  14.266   4.126
  114   2HB   ARG  14          2HB       ARG  14  -5.104  15.198   2.797
  115   1HG   ARG  14          1HG       ARG  14  -6.179  16.949   3.627
  116   2HG   ARG  14          2HG       ARG  14  -7.674  16.190   3.074
  117   1HD   ARG  14          1HD       ARG  14  -8.130  15.284   5.181
  118   2HD   ARG  14          2HD       ARG  14  -6.470  15.500   5.733
  119    HE   ARG  14           HE       ARG  14  -7.605  18.012   5.155
  120   1HH1  ARG  14          1HH1      ARG  14  -7.829  15.438   7.518
  121   2HH1  ARG  14          2HH1      ARG  14  -8.329  16.491   8.797
  122   1HH2  ARG  14          1HH2      ARG  14  -8.265  19.392   6.842
  123   2HH2  ARG  14          2HH2      ARG  14  -8.578  18.736   8.414
  124    H    SER  15           H        SER  15  -5.112  14.420   0.389
  125    HA   SER  15           HA       SER  15  -4.578  11.866  -0.573
  126   1HB   SER  15          1HB       SER  15  -2.543  12.875  -1.570
  127   2HB   SER  15          2HB       SER  15  -3.972  13.872  -1.820
  128    HG   SER  15           HG       SER  15  -3.159  15.376  -0.557
  129    H    ASP  16           H        ASP  16  -2.956  13.712   1.980
  130    HA   ASP  16           HA       ASP  16  -0.829  11.918   2.423
  131   1HB   ASP  16          1HB       ASP  16  -0.881  13.003   4.795
  132   2HB   ASP  16          2HB       ASP  16  -0.456  13.984   3.399
  133    H    HIS  17           H        HIS  17  -4.136  11.991   3.654
  134    HA   HIS  17           HA       HIS  17  -3.923  10.163   5.746
  135   1HB   HIS  17          1HB       HIS  17  -6.173  10.800   3.848
  136   2HB   HIS  17          2HB       HIS  17  -6.354   9.576   5.096
  137    HD1  HIS  17           HD1      HIS  17  -8.252  11.174   6.054
  138    HD2  HIS  17           HD2      HIS  17  -4.378  12.659   6.257
  139    HE1  HIS  17           HE1      HIS  17  -8.349  13.086   7.684
  140    HE2  HIS  17           HE2      HIS  17  -6.016  14.037   7.704
  141    H    LEU  18           H        LEU  18  -3.948   9.665   2.286
  142    HA   LEU  18           HA       LEU  18  -4.201   6.779   2.503
  143   1HB   LEU  18          1HB       LEU  18  -3.626   8.550   0.140
  144   2HB   LEU  18          2HB       LEU  18  -3.874   6.821   0.057
  145    HG   LEU  18           HG       LEU  18  -6.182   7.322   1.093
  146   1HD1  LEU  18          1HD1      LEU  18  -6.941   9.624   0.178
  147   2HD1  LEU  18          2HD1      LEU  18  -5.230  10.035   0.281
  148   3HD1  LEU  18          3HD1      LEU  18  -6.106   9.546   1.730
  149   1HD2  LEU  18          1HD2      LEU  18  -6.329   6.502  -1.009
  150   2HD2  LEU  18          2HD2      LEU  18  -5.187   7.678  -1.661
  151   3HD2  LEU  18          3HD2      LEU  18  -6.854   8.152  -1.339
  152    H    SER  19           H        SER  19  -1.818   9.156   1.387
  153    HA   SER  19           HA       SER  19   0.263   7.664   0.608
  154   1HB   SER  19          1HB       SER  19   0.418  10.077   0.654
  155   2HB   SER  19          2HB       SER  19   0.403  10.089   2.417
  156    HG   SER  19           HG       SER  19   2.452   9.366   0.648
  157    H    LYS  20           H        LYS  20  -0.643   8.139   3.999
  158    HA   LYS  20           HA       LYS  20   1.576   6.558   4.968
  159   1HB   LYS  20          1HB       LYS  20   0.575   8.474   6.245
  160   2HB   LYS  20          2HB       LYS  20  -0.870   7.500   6.479
  161   1HG   LYS  20          1HG       LYS  20   1.578   6.133   7.277
  162   2HG   LYS  20          2HG       LYS  20   1.278   7.624   8.174
  163   1HD   LYS  20          1HD       LYS  20  -1.017   6.810   8.657
  164   2HD   LYS  20          2HD       LYS  20  -0.607   5.287   7.864
  165   1HE   LYS  20          1HE       LYS  20   1.129   4.865   9.496
  166   2HE   LYS  20          2HE       LYS  20   0.843   6.434  10.247
  167   1HZ   LYS  20          1HZ       LYS  20  -1.387   5.697  10.840
  168   2HZ   LYS  20          2HZ       LYS  20  -0.216   4.665  11.493
  169   3HZ   LYS  20          3HZ       LYS  20  -1.098   4.186  10.131
  170    H    HIS  21           H        HIS  21  -1.828   6.084   4.228
  171    HA   HIS  21           HA       HIS  21  -1.958   3.477   5.451
  172   1HB   HIS  21          1HB       HIS  21  -4.050   4.393   5.518
  173   2HB   HIS  21          2HB       HIS  21  -3.832   5.279   4.018
  174    HD1  HIS  21           HD1      HIS  21  -5.873   2.706   5.298
  175    HD2  HIS  21           HD2      HIS  21  -3.757   3.195   1.765
  176    HE1  HIS  21           HE1      HIS  21  -6.972   1.187   3.597
  177    H    ILE  22           H        ILE  22  -1.384   4.730   2.193
  178    HA   ILE  22           HA       ILE  22  -1.796   2.298   0.832
  179    HB   ILE  22           HB       ILE  22  -0.119   3.333  -0.876
  180   1HG1  ILE  22          1HG1      ILE  22  -0.848   6.002  -0.184
  181   2HG1  ILE  22          2HG1      ILE  22  -0.043   5.257   1.193
  182   1HG2  ILE  22          1HG2      ILE  22  -2.918   4.132  -0.243
  183   2HG2  ILE  22          2HG2      ILE  22  -2.290   3.215  -1.612
  184   3HG2  ILE  22          3HG2      ILE  22  -2.066   4.963  -1.544
  185   1HD1  ILE  22          1HD1      ILE  22   1.095   5.231  -1.582
  186   2HD1  ILE  22          2HD1      ILE  22   1.907   4.807  -0.074
  187   3HD1  ILE  22          3HD1      ILE  22   1.453   6.482  -0.391
  188    H    THR  23           H        THR  23   1.172   3.696   2.146
  189    HA   THR  23           HA       THR  23   2.959   1.818   1.198
  190    HB   THR  23           HB       THR  23   3.032   3.183   3.899
  191    HG1  THR  23           HG1      THR  23   4.003   3.982   1.359
  192   1HG2  THR  23          1HG2      THR  23   5.210   1.885   2.290
  193   2HG2  THR  23          2HG2      THR  23   4.720   1.532   3.947
  194   3HG2  THR  23          3HG2      THR  23   5.516   3.060   3.570
  195    H    LEU  24           H        LEU  24   0.607   1.422   3.736
  196    HA   LEU  24           HA       LEU  24   1.749  -1.187   4.465
  197   1HB   LEU  24          1HB       LEU  24   0.090  -1.129   6.326
  198   2HB   LEU  24          2HB       LEU  24   1.262   0.178   6.376
  199    HG   LEU  24           HG       LEU  24  -0.741   1.301   4.939
  200   1HD1  LEU  24          1HD1      LEU  24  -2.407   0.284   7.095
  201   2HD1  LEU  24          2HD1      LEU  24  -1.960  -0.945   5.910
  202   3HD1  LEU  24          3HD1      LEU  24  -2.777   0.530   5.386
  203   1HD2  LEU  24          1HD2      LEU  24  -1.181   2.639   6.867
  204   2HD2  LEU  24          2HD2      LEU  24   0.535   2.229   6.868
  205   3HD2  LEU  24          3HD2      LEU  24  -0.576   1.379   7.942
  206    H    HIS  25           H        HIS  25  -1.245   0.348   3.336
  207    HA   HIS  25           HA       HIS  25  -2.714  -2.067   3.128
  208   1HB   HIS  25          1HB       HIS  25  -4.390  -0.595   2.927
  209   2HB   HIS  25          2HB       HIS  25  -3.252   0.723   2.756
  210    HD1  HIS  25           HD1      HIS  25  -5.078  -1.804   0.580
  211    HD2  HIS  25           HD2      HIS  25  -3.303   1.951   0.357
  212    HE1  HIS  25           HE1      HIS  25  -5.647  -0.878  -1.701
  213    H    GLU  26           H        GLU  26  -0.502  -0.376   1.002
  214    HA   GLU  26           HA       GLU  26  -1.208  -1.879  -1.342
  215   1HB   GLU  26          1HB       GLU  26  -0.100   0.364  -1.418
  216   2HB   GLU  26          2HB       GLU  26   1.354  -0.375  -0.760
  217   1HG   GLU  26          1HG       GLU  26   1.615  -0.147  -3.119
  218   2HG   GLU  26          2HG       GLU  26   1.437  -1.859  -2.738
  219    H    LEU  27           H        LEU  27   0.777  -2.355   1.461
  220    HA   LEU  27           HA       LEU  27   2.520  -4.338   0.369
  221   1HB   LEU  27          1HB       LEU  27   1.836  -3.330   3.071
  222   2HB   LEU  27          2HB       LEU  27   2.498  -4.950   2.993
  223   1HD1  LEU  27          1HD1      LEU  27   4.801  -1.738   1.481
  224   2HD1  LEU  27          2HD1      LEU  27   3.078  -1.898   1.138
  225   3HD1  LEU  27          3HD1      LEU  27   4.236  -2.978   0.361
  226   1HD2  LEU  27          1HD2      LEU  27   3.346  -2.274   4.154
  227   2HD2  LEU  27          2HD2      LEU  27   4.995  -2.015   3.579
  228   3HD2  LEU  27          3HD2      LEU  27   4.583  -3.499   4.436
  229    H    LEU  28           H        LEU  28  -0.172  -4.725   2.697
  230    HA   LEU  28           HA       LEU  28  -0.547  -7.462   1.686
  231   1HB   LEU  28          1HB       LEU  28  -1.148  -6.148   4.315
  232   2HB   LEU  28          2HB       LEU  28  -1.976  -7.621   3.846
  233    HG   LEU  28           HG       LEU  28   0.494  -8.485   3.448
  234   1HD1  LEU  28          1HD1      LEU  28   0.802  -6.196   5.371
  235   2HD1  LEU  28          2HD1      LEU  28   1.718  -6.523   3.900
  236   3HD1  LEU  28          3HD1      LEU  28   1.927  -7.554   5.315
  237   1HD2  LEU  28          1HD2      LEU  28  -0.646  -8.225   6.226
  238   2HD2  LEU  28          2HD2      LEU  28   0.434  -9.484   5.625
  239   3HD2  LEU  28          3HD2      LEU  28  -1.219  -9.377   5.021
  240    H    GLY  29           H        GLY  29  -2.529  -4.752   2.930
  241   1HA   GLY  29          1HA       GLY  29  -4.320  -3.795   1.656
  242   2HA   GLY  29          2HA       GLY  29  -4.492  -5.327   0.813
  243    H    GLU  30           H        GLU  30  -4.558  -4.177   4.196
  244    HA   GLU  30           HA       GLU  30  -7.135  -5.561   4.524
  245   1HB   GLU  30          1HB       GLU  30  -5.005  -5.528   6.663
  246   2HB   GLU  30          2HB       GLU  30  -6.504  -6.444   6.652
  247   1HG   GLU  30          1HG       GLU  30  -5.613  -8.121   5.479
  248   2HG   GLU  30          2HG       GLU  30  -4.756  -7.034   4.388
  249    H    GLU  31           H        GLU  31  -8.567  -3.978   4.844
  250    HA   GLU  31           HA       GLU  31  -7.798  -1.536   6.215
  251   1HB   GLU  31          1HB       GLU  31  -9.856  -0.618   5.479
  252   2HB   GLU  31          2HB       GLU  31  -9.247  -1.578   4.139
  253   1HG   GLU  31          1HG       GLU  31 -10.762  -3.412   4.819
  254   2HG   GLU  31          2HG       GLU  31 -11.420  -2.360   6.071
  255    H    ARG  32           H        ARG  32  -9.042  -0.664   8.002
  256    HA   ARG  32           HA       ARG  32  -9.355  -2.506  10.111
  257   1HB   ARG  32          1HB       ARG  32  -9.447   0.348   9.773
  258   2HB   ARG  32          2HB       ARG  32 -10.798  -0.166  10.774
  259   1HG   ARG  32          1HG       ARG  32  -9.476  -0.480  12.523
  260   2HG   ARG  32          2HG       ARG  32  -8.374  -1.492  11.585
  261   1HD   ARG  32          1HD       ARG  32  -7.006   0.270  11.038
  262   2HD   ARG  32          2HD       ARG  32  -8.296   1.461  11.194
  263    HE   ARG  32           HE       ARG  32  -7.853   0.447  13.730
  264   1HH1  ARG  32          1HH1      ARG  32  -6.014   2.208  11.326
  265   2HH1  ARG  32          2HH1      ARG  32  -5.022   3.010  12.496
  266   1HH2  ARG  32          1HH2      ARG  32  -6.543   1.506  15.266
  267   2HH2  ARG  32          2HH2      ARG  32  -5.320   2.612  14.733
  268    H    ARG  33           H        ARG  33 -11.848  -0.541   8.460
  269    HA   ARG  33           HA       ARG  33 -13.734  -2.749   8.726
  270   1HB   ARG  33          1HB       ARG  33 -14.208   0.003   9.883
  271   2HB   ARG  33          2HB       ARG  33 -15.492  -1.164   9.599
  272   1HG   ARG  33          1HG       ARG  33 -14.340  -2.740  11.119
  273   2HG   ARG  33          2HG       ARG  33 -13.145  -1.487  11.458
  274   1HD   ARG  33          1HD       ARG  33 -15.490  -0.163  11.902
  275   2HD   ARG  33          2HD       ARG  33 -15.891  -1.794  12.436
  276    HE   ARG  33           HE       ARG  33 -14.130   0.065  13.724
  277   1HH1  ARG  33          1HH1      ARG  33 -14.836  -3.342  13.301
  278   2HH1  ARG  33          2HH1      ARG  33 -14.098  -3.804  14.796
  279   1HH2  ARG  33          1HH2      ARG  33 -13.159  -0.556  15.693
  280   2HH2  ARG  33          2HH2      ARG  33 -13.147  -2.225  16.154
  Start of MODEL    3
    1    H    TYR   1           H        TYR   1 -14.683  13.357   2.421
    2    HA   TYR   1           HA       TYR   1 -12.530  12.886   1.368
    3   1HB   TYR   1          1HB       TYR   1 -13.276  10.550   0.687
    4   2HB   TYR   1          2HB       TYR   1 -13.761  11.076   2.294
    5    HD1  TYR   1           HD1      TYR   1 -14.929  10.300  -1.100
    6    HD2  TYR   1           HD2      TYR   1 -16.093  11.459   2.826
    7    HE1  TYR   1           HE1      TYR   1 -17.268   9.772  -1.644
    8    HE2  TYR   1           HE2      TYR   1 -18.433  10.935   2.293
    9    HH   TYR   1           HH       TYR   1 -19.475   9.100   0.176
   10    H    LYS   2           H        LYS   2 -11.330  13.041  -0.415
   11    HA   LYS   2           HA       LYS   2 -12.504  12.629  -3.042
   12   1HB   LYS   2          1HB       LYS   2 -11.378  15.268  -2.125
   13   2HB   LYS   2          2HB       LYS   2 -11.409  14.824  -3.826
   14   1HG   LYS   2          1HG       LYS   2 -13.871  14.521  -3.638
   15   2HG   LYS   2          2HG       LYS   2 -13.773  15.146  -1.991
   16   1HD   LYS   2          1HD       LYS   2 -12.746  17.221  -2.910
   17   2HD   LYS   2          2HD       LYS   2 -13.038  16.594  -4.533
   18   1HE   LYS   2          1HE       LYS   2 -15.293  16.773  -2.577
   19   2HE   LYS   2          2HE       LYS   2 -14.753  18.221  -3.425
   20   1HZ   LYS   2          1HZ       LYS   2 -16.553  17.145  -4.606
   21   2HZ   LYS   2          2HZ       LYS   2 -15.674  15.703  -4.705
   22   3HZ   LYS   2          3HZ       LYS   2 -15.136  17.080  -5.528
   23    H    PHE   3           H        PHE   3 -10.718  10.976  -1.799
   24    HA   PHE   3           HA       PHE   3  -8.529  10.988  -3.647
   25   1HB   PHE   3          1HB       PHE   3  -7.976  12.535  -1.543
   26   2HB   PHE   3          2HB       PHE   3  -7.568  10.982  -0.826
   27    HD1  PHE   3           HD1      PHE   3  -6.724  13.389  -3.467
   28    HD2  PHE   3           HD2      PHE   3  -5.628   9.773  -1.524
   29    HE1  PHE   3           HE1      PHE   3  -4.517  13.480  -4.543
   30    HE2  PHE   3           HE2      PHE   3  -3.419   9.849  -2.592
   31    HZ   PHE   3           HZ       PHE   3  -2.859  11.709  -4.112
   32    H    ALA   4           H        ALA   4  -8.388   8.918  -4.216
   33    HA   ALA   4           HA       ALA   4  -8.781   6.863  -2.171
   34   1HB   ALA   4          1HB       ALA   4  -9.681   5.403  -3.927
   35   2HB   ALA   4          2HB       ALA   4  -9.526   6.726  -5.084
   36   3HB   ALA   4          3HB       ALA   4 -10.640   6.870  -3.725
   37    H    CYS   5           H        CYS   5  -7.387   5.124  -2.110
   38    HA   CYS   5           HA       CYS   5  -4.762   5.514  -3.041
   39   1HB   CYS   5          1HB       CYS   5  -5.978   2.891  -2.160
   40   2HB   CYS   5          2HB       CYS   5  -4.276   3.334  -2.132
   41    HG   CYS   5           HG       CYS   5  -5.954   3.626   0.172
   42    HA   PRO   6           HA       PRO   6  -4.818   3.796  -7.114
   43   1HB   PRO   6          1HB       PRO   6  -2.313   2.772  -7.297
   44   2HB   PRO   6          2HB       PRO   6  -2.641   4.508  -7.326
   45   1HG   PRO   6          1HG       PRO   6  -1.720   2.792  -5.052
   46   2HG   PRO   6          2HG       PRO   6  -1.162   4.405  -5.535
   47   1HD   PRO   6          1HD       PRO   6  -2.903   4.008  -3.495
   48   2HD   PRO   6          2HD       PRO   6  -2.932   5.463  -4.510
   49    H    GLU   7           H        GLU   7  -4.336   1.815  -4.332
   50    HA   GLU   7           HA       GLU   7  -4.555  -0.652  -5.894
   51   1HB   GLU   7          1HB       GLU   7  -3.625  -0.013  -3.124
   52   2HB   GLU   7          2HB       GLU   7  -4.212  -1.631  -3.478
   53   1HG   GLU   7          1HG       GLU   7  -2.372  -0.819  -5.511
   54   2HG   GLU   7          2HG       GLU   7  -1.647  -0.574  -3.923
   55    H    CYS   8           H        CYS   8  -6.076   0.928  -3.049
   56    HA   CYS   8           HA       CYS   8  -8.408  -0.816  -3.456
   57   1HB   CYS   8          1HB       CYS   8  -9.066  -0.356  -1.198
   58   2HB   CYS   8          2HB       CYS   8  -7.409  -0.880  -1.211
   59    HG   CYS   8           HG       CYS   8  -8.002   2.153  -0.975
   60    HA   PRO   9           HA       PRO   9 -11.065   2.481  -4.511
   61   1HB   PRO   9          1HB       PRO   9 -13.419   1.466  -3.761
   62   2HB   PRO   9          2HB       PRO   9 -12.446   0.690  -5.015
   63   1HG   PRO   9          1HG       PRO   9 -12.792  -0.066  -2.146
   64   2HG   PRO   9          2HG       PRO   9 -12.665  -1.108  -3.573
   65   1HD   PRO   9          1HD       PRO   9 -10.575  -0.506  -1.817
   66   2HD   PRO   9          2HD       PRO   9 -10.387  -1.155  -3.450
   67    H    LYS  10           H        LYS  10 -10.384   1.912  -1.254
   68    HA   LYS  10           HA       LYS  10 -12.355   3.287   0.136
   69   1HB   LYS  10          1HB       LYS  10  -9.558   2.505   0.649
   70   2HB   LYS  10          2HB       LYS  10 -10.143   3.858   1.605
   71   1HG   LYS  10          1HG       LYS  10 -10.647   2.066   2.952
   72   2HG   LYS  10          2HG       LYS  10 -12.168   2.308   2.090
   73   1HD   LYS  10          1HD       LYS  10 -10.210   0.486   0.827
   74   2HD   LYS  10          2HD       LYS  10 -10.962  -0.082   2.319
   75   1HE   LYS  10          1HE       LYS  10 -12.569   1.019   0.029
   76   2HE   LYS  10          2HE       LYS  10 -12.116  -0.682   0.125
   77   1HZ   LYS  10          1HZ       LYS  10 -14.274  -0.437   1.054
   78   2HZ   LYS  10          2HZ       LYS  10 -13.785   0.838   2.051
   79   3HZ   LYS  10          3HZ       LYS  10 -13.214  -0.728   2.341
   80    H    ARG  11           H        ARG  11 -12.876   5.334   0.398
   81    HA   ARG  11           HA       ARG  11 -11.233   7.381  -0.913
   82   1HB   ARG  11          1HB       ARG  11 -13.318   8.797  -0.702
   83   2HB   ARG  11          2HB       ARG  11 -13.447   7.409  -1.772
   84   1HG   ARG  11          1HG       ARG  11 -14.252   6.766   0.940
   85   2HG   ARG  11          2HG       ARG  11 -15.188   8.097   0.261
   86   1HD   ARG  11          1HD       ARG  11 -14.716   5.572  -1.287
   87   2HD   ARG  11          2HD       ARG  11 -16.026   5.695  -0.114
   88    HE   ARG  11           HE       ARG  11 -16.068   7.871  -1.947
   89   1HH1  ARG  11          1HH1      ARG  11 -16.882   4.477  -1.660
   90   2HH1  ARG  11          2HH1      ARG  11 -18.130   4.550  -2.858
   91   1HH2  ARG  11          1HH2      ARG  11 -17.709   7.961  -3.524
   92   2HH2  ARG  11          2HH2      ARG  11 -18.599   6.527  -3.918
   93    H    PHE  12           H        PHE  12  -9.992   8.605   0.321
   94    HA   PHE  12           HA       PHE  12 -10.600   8.848   3.184
   95   1HB   PHE  12          1HB       PHE  12  -8.051   9.570   1.732
   96   2HB   PHE  12          2HB       PHE  12  -8.285   9.544   3.469
   97    HD1  PHE  12           HD1      PHE  12  -7.159   7.848   4.487
   98    HD2  PHE  12           HD2      PHE  12  -8.909   7.106   0.677
   99    HE1  PHE  12           HE1      PHE  12  -6.332   5.535   4.560
  100    HE2  PHE  12           HE2      PHE  12  -8.091   4.790   0.751
  101    HZ   PHE  12           HZ       PHE  12  -6.792   3.997   2.690
  102    H    MET  13           H        MET  13  -9.681  11.062   4.081
  103    HA   MET  13           HA       MET  13 -11.256  13.119   2.796
  104   1HB   MET  13          1HB       MET  13 -11.019  12.607   5.344
  105   2HB   MET  13          2HB       MET  13  -9.562  13.583   5.225
  106   1HG   MET  13          1HG       MET  13 -10.742  15.448   5.311
  107   2HG   MET  13          2HG       MET  13 -11.734  14.939   3.947
  108   1HE   MET  13          1HE       MET  13 -12.710  14.452   8.408
  109   2HE   MET  13          2HE       MET  13 -11.421  15.436   7.717
  110   3HE   MET  13          3HE       MET  13 -11.284  13.678   7.716
  111    H    ARG  14           H        ARG  14  -7.818  12.498   3.428
  112    HA   ARG  14           HA       ARG  14  -7.168  14.664   1.542
  113   1HB   ARG  14          1HB       ARG  14  -5.877  14.172   4.230
  114   2HB   ARG  14          2HB       ARG  14  -5.175  15.200   2.990
  115   1HG   ARG  14          1HG       ARG  14  -6.250  16.813   4.131
  116   2HG   ARG  14          2HG       ARG  14  -7.615  16.298   3.139
  117   1HD   ARG  14          1HD       ARG  14  -8.742  15.565   4.916
  118   2HD   ARG  14          2HD       ARG  14  -7.349  14.670   5.518
  119    HE   ARG  14           HE       ARG  14  -8.271  17.222   6.408
  120   1HH1  ARG  14          1HH1      ARG  14  -5.400  15.248   6.041
  121   2HH1  ARG  14          2HH1      ARG  14  -4.535  16.057   7.303
  122   1HH2  ARG  14          1HH2      ARG  14  -7.128  18.279   8.073
  123   2HH2  ARG  14          2HH2      ARG  14  -5.516  17.777   8.458
  124    H    SER  15           H        SER  15  -5.054  14.489   0.559
  125    HA   SER  15           HA       SER  15  -4.502  11.962  -0.478
  126   1HB   SER  15          1HB       SER  15  -2.451  14.171  -0.311
  127   2HB   SER  15          2HB       SER  15  -2.635  12.947  -1.567
  128    HG   SER  15           HG       SER  15  -3.486  14.874  -2.315
  129    H    ASP  16           H        ASP  16  -2.953  13.692   2.206
  130    HA   ASP  16           HA       ASP  16  -0.874  11.844   2.644
  131   1HB   ASP  16          1HB       ASP  16  -0.898  12.833   5.020
  132   2HB   ASP  16          2HB       ASP  16  -0.550  13.914   3.677
  133    H    HIS  17           H        HIS  17  -4.225  11.888   3.726
  134    HA   HIS  17           HA       HIS  17  -4.110  10.005   5.779
  135   1HB   HIS  17          1HB       HIS  17  -6.266  10.674   3.782
  136   2HB   HIS  17          2HB       HIS  17  -6.500   9.427   4.997
  137    HD1  HIS  17           HD1      HIS  17  -8.464  11.028   5.844
  138    HD2  HIS  17           HD2      HIS  17  -4.602  12.470   6.348
  139    HE1  HIS  17           HE1      HIS  17  -8.660  12.907   7.502
  140    HE2  HIS  17           HE2      HIS  17  -6.293  13.683   7.882
  141    H    LEU  18           H        LEU  18  -3.901   9.602   2.321
  142    HA   LEU  18           HA       LEU  18  -4.124   6.696   2.491
  143   1HB   LEU  18          1HB       LEU  18  -3.582   8.437   0.098
  144   2HB   LEU  18          2HB       LEU  18  -3.945   6.726   0.072
  145    HG   LEU  18           HG       LEU  18  -6.188   7.355   1.113
  146   1HD1  LEU  18          1HD1      LEU  18  -5.067  10.032   0.448
  147   2HD1  LEU  18          2HD1      LEU  18  -6.038   9.529   1.830
  148   3HD1  LEU  18          3HD1      LEU  18  -6.794   9.746   0.251
  149   1HD2  LEU  18          1HD2      LEU  18  -5.208   7.626  -1.626
  150   2HD2  LEU  18          2HD2      LEU  18  -6.757   8.410  -1.318
  151   3HD2  LEU  18          3HD2      LEU  18  -6.561   6.690  -0.988
  152    H    SER  19           H        SER  19  -1.824   9.147   1.332
  153    HA   SER  19           HA       SER  19   0.274   7.714   0.502
  154   1HB   SER  19          1HB       SER  19   0.417  10.111   0.549
  155   2HB   SER  19          2HB       SER  19   0.361  10.141   2.312
  156    HG   SER  19           HG       SER  19   2.468   9.472   0.597
  157    H    LYS  20           H        LYS  20  -0.523   8.144   3.935
  158    HA   LYS  20           HA       LYS  20   1.746   6.546   4.768
  159   1HB   LYS  20          1HB       LYS  20   0.656   8.514   6.055
  160   2HB   LYS  20          2HB       LYS  20  -0.553   7.334   6.542
  161   1HG   LYS  20          1HG       LYS  20   2.276   6.572   6.932
  162   2HG   LYS  20          2HG       LYS  20   1.643   7.854   7.965
  163   1HD   LYS  20          1HD       LYS  20  -0.084   5.482   7.664
  164   2HD   LYS  20          2HD       LYS  20   1.432   5.219   8.525
  165   1HE   LYS  20          1HE       LYS  20  -0.264   7.569   9.236
  166   2HE   LYS  20          2HE       LYS  20  -0.730   5.968   9.808
  167   1HZ   LYS  20          1HZ       LYS  20   1.887   7.288  10.295
  168   2HZ   LYS  20          2HZ       LYS  20   1.452   5.746  10.834
  169   3HZ   LYS  20          3HZ       LYS  20   0.643   7.106  11.427
  170    H    HIS  21           H        HIS  21  -1.694   6.128   4.218
  171    HA   HIS  21           HA       HIS  21  -1.821   3.528   5.441
  172   1HB   HIS  21          1HB       HIS  21  -3.901   4.455   5.574
  173   2HB   HIS  21          2HB       HIS  21  -3.709   5.367   4.085
  174    HD1  HIS  21           HD1      HIS  21  -5.726   2.761   5.376
  175    HD2  HIS  21           HD2      HIS  21  -3.750   3.365   1.782
  176    HE1  HIS  21           HE1      HIS  21  -6.889   1.295   3.672
  177    H    ILE  22           H        ILE  22  -1.276   4.751   2.173
  178    HA   ILE  22           HA       ILE  22  -1.824   2.340   0.824
  179    HB   ILE  22           HB       ILE  22  -0.145   3.318  -0.925
  180   1HG1  ILE  22          1HG1      ILE  22  -0.788   6.003  -0.166
  181   2HG1  ILE  22          2HG1      ILE  22   0.080   5.210   1.142
  182   1HG2  ILE  22          1HG2      ILE  22  -2.891   4.267  -0.227
  183   2HG2  ILE  22          2HG2      ILE  22  -2.366   3.238  -1.559
  184   3HG2  ILE  22          3HG2      ILE  22  -2.033   4.969  -1.599
  185   1HD1  ILE  22          1HD1      ILE  22   1.041   5.242  -1.699
  186   2HD1  ILE  22          2HD1      ILE  22   1.932   4.732  -0.265
  187   3HD1  ILE  22          3HD1      ILE  22   1.516   6.431  -0.487
  188    H    THR  23           H        THR  23   1.252   3.629   2.007
  189    HA   THR  23           HA       THR  23   2.914   1.639   1.055
  190    HB   THR  23           HB       THR  23   3.129   3.137   3.677
  191    HG1  THR  23           HG1      THR  23   3.335   4.689   2.256
  192   1HG2  THR  23          1HG2      THR  23   5.598   2.806   3.336
  193   2HG2  THR  23          2HG2      THR  23   5.185   1.560   2.158
  194   3HG2  THR  23          3HG2      THR  23   4.694   1.380   3.842
  195    H    LEU  24           H        LEU  24   0.657   1.448   3.706
  196    HA   LEU  24           HA       LEU  24   1.716  -1.175   4.498
  197   1HB   LEU  24          1HB       LEU  24   0.116  -0.996   6.391
  198   2HB   LEU  24          2HB       LEU  24   1.308   0.293   6.356
  199    HG   LEU  24           HG       LEU  24  -0.700   1.390   4.919
  200   1HD1  LEU  24          1HD1      LEU  24  -2.358   0.482   7.129
  201   2HD1  LEU  24          2HD1      LEU  24  -1.949  -0.795   5.982
  202   3HD1  LEU  24          3HD1      LEU  24  -2.744   0.678   5.417
  203   1HD2  LEU  24          1HD2      LEU  24   0.584   2.425   6.745
  204   2HD2  LEU  24          2HD2      LEU  24  -0.404   1.548   7.913
  205   3HD2  LEU  24          3HD2      LEU  24  -1.143   2.760   6.867
  206    H    HIS  25           H        HIS  25  -1.253   0.407   3.349
  207    HA   HIS  25           HA       HIS  25  -2.797  -1.959   3.323
  208   1HB   HIS  25          1HB       HIS  25  -4.454  -0.516   2.980
  209   2HB   HIS  25          2HB       HIS  25  -3.298   0.788   2.853
  210    HD1  HIS  25           HD1      HIS  25  -4.957  -1.772   0.569
  211    HD2  HIS  25           HD2      HIS  25  -3.376   2.072   0.499
  212    HE1  HIS  25           HE1      HIS  25  -5.481  -0.827  -1.714
  213    H    GLU  26           H        GLU  26  -0.522  -0.560   1.066
  214    HA   GLU  26           HA       GLU  26  -1.363  -2.144  -1.165
  215   1HB   GLU  26          1HB       GLU  26   0.648  -1.442  -2.257
  216   2HB   GLU  26          2HB       GLU  26   0.031  -0.060  -1.365
  217   1HG   GLU  26          1HG       GLU  26   1.660  -0.655   0.460
  218   2HG   GLU  26          2HG       GLU  26   2.361  -1.820  -0.660
  219    H    LEU  27           H        LEU  27   0.315  -2.767   1.758
  220    HA   LEU  27           HA       LEU  27   1.597  -5.190   0.704
  221   1HB   LEU  27          1HB       LEU  27   1.809  -3.616   3.231
  222   2HB   LEU  27          2HB       LEU  27   2.238  -5.315   3.266
  223   1HD1  LEU  27          1HD1      LEU  27   4.368  -2.196   1.587
  224   2HD1  LEU  27          2HD1      LEU  27   2.607  -2.278   1.526
  225   3HD1  LEU  27          3HD1      LEU  27   3.571  -3.035   0.257
  226   1HD2  LEU  27          1HD2      LEU  27   4.649  -4.982   3.723
  227   2HD2  LEU  27          2HD2      LEU  27   4.191  -3.299   3.985
  228   3HD2  LEU  27          3HD2      LEU  27   5.508  -3.694   2.878
  229    H    LEU  28           H        LEU  28  -0.697  -4.258   3.271
  230    HA   LEU  28           HA       LEU  28  -1.511  -7.035   3.610
  231   1HB   LEU  28          1HB       LEU  28  -2.531  -4.589   5.053
  232   2HB   LEU  28          2HB       LEU  28  -2.750  -6.261   5.529
  233    HG   LEU  28           HG       LEU  28  -0.042  -4.947   5.390
  234   1HD1  LEU  28          1HD1      LEU  28  -1.395  -3.725   6.989
  235   2HD1  LEU  28          2HD1      LEU  28  -0.196  -4.710   7.827
  236   3HD1  LEU  28          3HD1      LEU  28  -1.878  -5.234   7.764
  237   1HD2  LEU  28          1HD2      LEU  28  -0.002  -7.369   5.304
  238   2HD2  LEU  28          2HD2      LEU  28  -1.041  -7.461   6.726
  239   3HD2  LEU  28          3HD2      LEU  28   0.591  -6.810   6.867
  240    H    GLY  29           H        GLY  29  -4.142  -6.876   4.273
  241   1HA   GLY  29          1HA       GLY  29  -5.764  -5.392   2.488
  242   2HA   GLY  29          2HA       GLY  29  -5.468  -6.992   1.826
  243    H    GLU  30           H        GLU  30  -6.802  -5.241   4.588
  244    HA   GLU  30           HA       GLU  30  -8.286  -7.656   5.378
  245   1HB   GLU  30          1HB       GLU  30  -7.541  -5.146   6.870
  246   2HB   GLU  30          2HB       GLU  30  -8.771  -6.250   7.470
  247   1HG   GLU  30          1HG       GLU  30  -6.786  -6.838   8.573
  248   2HG   GLU  30          2HG       GLU  30  -7.024  -8.069   7.334
  249    H    GLU  31           H        GLU  31 -10.474  -7.728   5.344
  250    HA   GLU  31           HA       GLU  31 -11.860  -5.406   4.189
  251   1HB   GLU  31          1HB       GLU  31 -12.531  -8.350   4.174
  252   2HB   GLU  31          2HB       GLU  31 -13.646  -7.107   3.623
  253   1HG   GLU  31          1HG       GLU  31 -12.214  -6.490   1.838
  254   2HG   GLU  31          2HG       GLU  31 -10.891  -7.465   2.477
  255    H    ARG  32           H        ARG  32 -11.532  -4.819   6.674
  256    HA   ARG  32           HA       ARG  32 -13.861  -5.779   8.191
  257   1HB   ARG  32          1HB       ARG  32 -11.428  -5.819   9.120
  258   2HB   ARG  32          2HB       ARG  32 -11.669  -4.095   9.366
  259   1HG   ARG  32          1HG       ARG  32 -13.481  -4.482  10.862
  260   2HG   ARG  32          2HG       ARG  32 -13.506  -6.204  10.475
  261   1HD   ARG  32          1HD       ARG  32 -11.129  -6.287  11.360
  262   2HD   ARG  32          2HD       ARG  32 -11.412  -4.667  11.995
  263    HE   ARG  32           HE       ARG  32 -12.468  -7.150  13.011
  264   1HH1  ARG  32          1HH1      ARG  32 -12.869  -3.670  12.932
  265   2HH1  ARG  32          2HH1      ARG  32 -13.772  -3.618  14.407
  266   1HH2  ARG  32          1HH2      ARG  32 -13.659  -7.074  14.953
  267   2HH2  ARG  32          2HH2      ARG  32 -14.221  -5.550  15.555
  268    H    ARG  33           H        ARG  33 -12.079  -2.746   7.554
  269    HA   ARG  33           HA       ARG  33 -14.639  -1.336   7.399
  270   1HB   ARG  33          1HB       ARG  33 -12.935  -1.164   9.638
  271   2HB   ARG  33          2HB       ARG  33 -12.716   0.335   8.747
  272   1HG   ARG  33          1HG       ARG  33 -15.080   0.793   8.845
  273   2HG   ARG  33          2HG       ARG  33 -15.381  -0.770   9.608
  274   1HD   ARG  33          1HD       ARG  33 -15.334   0.526  11.477
  275   2HD   ARG  33          2HD       ARG  33 -13.612   0.174  11.350
  276    HE   ARG  33           HE       ARG  33 -13.223   2.375  10.821
  277   1HH1  ARG  33          1HH1      ARG  33 -16.668   1.761  10.663
  278   2HH1  ARG  33          2HH1      ARG  33 -17.083   3.435  10.517
  279   1HH2  ARG  33          1HH2      ARG  33 -13.776   4.577  10.632
  280   2HH2  ARG  33          2HH2      ARG  33 -15.441   5.034  10.499
  Start of MODEL    4
    1    H    TYR   1           H        TYR   1 -14.590  13.950   1.577
    2    HA   TYR   1           HA       TYR   1 -12.271  12.149   1.562
    3   1HB   TYR   1          1HB       TYR   1 -15.202  11.683   0.962
    4   2HB   TYR   1          2HB       TYR   1 -13.949  10.456   1.115
    5    HD1  TYR   1           HD1      TYR   1 -12.885  10.089   3.382
    6    HD2  TYR   1           HD2      TYR   1 -16.384  12.453   2.848
    7    HE1  TYR   1           HE1      TYR   1 -13.389   9.877   5.780
    8    HE2  TYR   1           HE2      TYR   1 -16.896  12.246   5.244
    9    HH   TYR   1           HH       TYR   1 -16.126  10.254   7.127
   10    H    LYS   2           H        LYS   2 -11.087  12.855  -0.178
   11    HA   LYS   2           HA       LYS   2 -12.318  12.470  -2.787
   12   1HB   LYS   2          1HB       LYS   2 -12.017  15.045  -1.757
   13   2HB   LYS   2          2HB       LYS   2 -10.658  14.854  -2.853
   14   1HG   LYS   2          1HG       LYS   2 -13.428  14.137  -3.723
   15   2HG   LYS   2          2HG       LYS   2 -12.873  15.812  -3.753
   16   1HD   LYS   2          1HD       LYS   2 -11.441  15.449  -5.476
   17   2HD   LYS   2          2HD       LYS   2 -11.069  13.801  -4.961
   18   1HE   LYS   2          1HE       LYS   2 -13.460  13.240  -5.698
   19   2HE   LYS   2          2HE       LYS   2 -13.428  14.793  -6.532
   20   1HZ   LYS   2          1HZ       LYS   2 -11.481  14.042  -7.764
   21   2HZ   LYS   2          2HZ       LYS   2 -12.791  12.999  -8.007
   22   3HZ   LYS   2          3HZ       LYS   2 -11.533  12.547  -6.971
   23    H    PHE   3           H        PHE   3 -10.558  10.754  -1.602
   24    HA   PHE   3           HA       PHE   3  -8.356  10.824  -3.467
   25   1HB   PHE   3          1HB       PHE   3  -7.878  11.981  -1.015
   26   2HB   PHE   3          2HB       PHE   3  -7.321  10.330  -0.765
   27    HD1  PHE   3           HD1      PHE   3  -6.915  13.321  -2.900
   28    HD2  PHE   3           HD2      PHE   3  -5.287   9.589  -1.676
   29    HE1  PHE   3           HE1      PHE   3  -4.816  13.861  -4.057
   30    HE2  PHE   3           HE2      PHE   3  -3.183  10.115  -2.829
   31    HZ   PHE   3           HZ       PHE   3  -2.945  12.258  -4.027
   32    H    ALA   4           H        ALA   4  -8.170   8.823  -4.234
   33    HA   ALA   4           HA       ALA   4  -8.814   6.582  -2.472
   34   1HB   ALA   4          1HB       ALA   4  -9.658   5.365  -4.421
   35   2HB   ALA   4          2HB       ALA   4  -9.352   6.783  -5.425
   36   3HB   ALA   4          3HB       ALA   4 -10.556   6.856  -4.138
   37    H    CYS   5           H        CYS   5  -7.460   4.856  -2.422
   38    HA   CYS   5           HA       CYS   5  -4.784   5.201  -3.227
   39   1HB   CYS   5          1HB       CYS   5  -6.141   2.604  -2.478
   40   2HB   CYS   5          2HB       CYS   5  -4.416   2.949  -2.413
   41    HG   CYS   5           HG       CYS   5  -6.253   3.373  -0.173
   42    HA   PRO   6           HA       PRO   6  -4.696   3.690  -7.376
   43   1HB   PRO   6          1HB       PRO   6  -2.243   2.513  -7.460
   44   2HB   PRO   6          2HB       PRO   6  -2.475   4.265  -7.456
   45   1HG   PRO   6          1HG       PRO   6  -1.778   2.441  -5.188
   46   2HG   PRO   6          2HG       PRO   6  -1.109   4.033  -5.590
   47   1HD   PRO   6          1HD       PRO   6  -2.967   3.689  -3.659
   48   2HD   PRO   6          2HD       PRO   6  -2.889   5.158  -4.650
   49    H    GLU   7           H        GLU   7  -4.453   1.524  -4.687
   50    HA   GLU   7           HA       GLU   7  -4.843  -0.799  -6.441
   51   1HB   GLU   7          1HB       GLU   7  -2.999  -0.620  -4.567
   52   2HB   GLU   7          2HB       GLU   7  -4.329  -1.065  -3.509
   53   1HG   GLU   7          1HG       GLU   7  -3.120  -3.035  -4.128
   54   2HG   GLU   7          2HG       GLU   7  -4.711  -3.075  -4.883
   55    H    CYS   8           H        CYS   8  -6.068   0.546  -3.344
   56    HA   CYS   8           HA       CYS   8  -8.542  -0.983  -3.773
   57   1HB   CYS   8          1HB       CYS   8  -8.983  -0.842  -1.464
   58   2HB   CYS   8          2HB       CYS   8  -7.304  -1.244  -1.608
   59    HG   CYS   8           HG       CYS   8  -7.199   0.586   0.086
   60    HA   PRO   9           HA       PRO   9 -11.056   2.532  -4.314
   61   1HB   PRO   9          1HB       PRO   9 -13.382   1.669  -3.311
   62   2HB   PRO   9          2HB       PRO   9 -12.637   0.898  -4.715
   63   1HG   PRO   9          1HG       PRO   9 -12.694   0.001  -1.867
   64   2HG   PRO   9          2HG       PRO   9 -12.824  -0.961  -3.350
   65   1HD   PRO   9          1HD       PRO   9 -10.499  -0.629  -1.840
   66   2HD   PRO   9          2HD       PRO   9 -10.554  -1.179  -3.516
   67    H    LYS  10           H        LYS  10  -9.970   1.872  -1.216
   68    HA   LYS  10           HA       LYS  10 -11.627   3.217   0.528
   69   1HB   LYS  10          1HB       LYS  10  -8.614   3.034   0.493
   70   2HB   LYS  10          2HB       LYS  10  -9.522   3.725   1.831
   71   1HG   LYS  10          1HG       LYS  10 -10.372   1.039   0.978
   72   2HG   LYS  10          2HG       LYS  10  -8.760   1.146   1.688
   73   1HD   LYS  10          1HD       LYS  10  -9.579   1.956   3.721
   74   2HD   LYS  10          2HD       LYS  10 -11.126   2.428   3.013
   75   1HE   LYS  10          1HE       LYS  10 -11.590   0.495   4.266
   76   2HE   LYS  10          2HE       LYS  10 -11.513  -0.049   2.591
   77   1HZ   LYS  10          1HZ       LYS  10  -9.419  -0.358   4.671
   78   2HZ   LYS  10          2HZ       LYS  10  -9.173  -0.711   3.035
   79   3HZ   LYS  10          3HZ       LYS  10 -10.313  -1.586   3.926
   80    H    ARG  11           H        ARG  11 -12.340   5.226   0.631
   81    HA   ARG  11           HA       ARG  11 -10.856   7.334  -0.782
   82   1HB   ARG  11          1HB       ARG  11 -13.083   8.591  -0.578
   83   2HB   ARG  11          2HB       ARG  11 -13.007   7.246  -1.708
   84   1HG   ARG  11          1HG       ARG  11 -14.276   5.855  -0.315
   85   2HG   ARG  11          2HG       ARG  11 -14.031   6.894   1.089
   86   1HD   ARG  11          1HD       ARG  11 -15.297   8.302  -1.112
   87   2HD   ARG  11          2HD       ARG  11 -16.222   6.890  -0.608
   88    HE   ARG  11           HE       ARG  11 -15.894   9.336   0.830
   89   1HH1  ARG  11          1HH1      ARG  11 -16.412   5.894   1.230
   90   2HH1  ARG  11          2HH1      ARG  11 -17.183   6.065   2.770
   91   1HH2  ARG  11          1HH2      ARG  11 -16.910   9.550   2.864
   92   2HH2  ARG  11          2HH2      ARG  11 -17.464   8.137   3.697
   93    H    PHE  12           H        PHE  12  -9.582   8.477   0.517
   94    HA   PHE  12           HA       PHE  12 -10.431   8.978   3.284
   95   1HB   PHE  12          1HB       PHE  12  -7.713   9.615   2.132
   96   2HB   PHE  12          2HB       PHE  12  -8.163   9.433   3.822
   97    HD1  PHE  12           HD1      PHE  12  -7.775   7.423   4.896
   98    HD2  PHE  12           HD2      PHE  12  -7.971   7.495   0.648
   99    HE1  PHE  12           HE1      PHE  12  -7.092   5.060   4.825
  100    HE2  PHE  12           HE2      PHE  12  -7.296   5.136   0.571
  101    HZ   PHE  12           HZ       PHE  12  -6.850   3.911   2.658
  102    H    MET  13           H        MET  13  -9.862  11.177   4.171
  103    HA   MET  13           HA       MET  13 -11.069  13.176   2.488
  104   1HB   MET  13          1HB       MET  13 -11.443  12.890   4.989
  105   2HB   MET  13          2HB       MET  13  -9.857  13.618   5.212
  106   1HG   MET  13          1HG       MET  13 -10.555  15.685   4.433
  107   2HG   MET  13          2HG       MET  13 -11.953  15.010   3.598
  108   1HE   MET  13          1HE       MET  13 -13.688  13.473   5.195
  109   2HE   MET  13          2HE       MET  13 -14.349  15.005   4.625
  110   3HE   MET  13          3HE       MET  13 -14.583  14.513   6.303
  111    H    ARG  14           H        ARG  14  -7.837  12.560   3.791
  112    HA   ARG  14           HA       ARG  14  -6.830  14.787   2.137
  113   1HB   ARG  14          1HB       ARG  14  -5.584  13.654   4.649
  114   2HB   ARG  14          2HB       ARG  14  -4.969  15.003   3.706
  115   1HG   ARG  14          1HG       ARG  14  -6.055  16.260   5.198
  116   2HG   ARG  14          2HG       ARG  14  -7.491  15.849   4.259
  117   1HD   ARG  14          1HD       ARG  14  -8.123  14.160   5.763
  118   2HD   ARG  14          2HD       ARG  14  -6.533  14.119   6.517
  119    HE   ARG  14           HE       ARG  14  -8.694  15.942   7.096
  120   1HH1  ARG  14          1HH1      ARG  14  -5.249  15.367   7.363
  121   2HH1  ARG  14          2HH1      ARG  14  -5.052  16.435   8.712
  122   1HH2  ARG  14          1HH2      ARG  14  -8.426  17.347   8.870
  123   2HH2  ARG  14          2HH2      ARG  14  -6.855  17.560   9.567
  124    H    SER  15           H        SER  15  -4.919  14.482   0.965
  125    HA   SER  15           HA       SER  15  -4.567  11.897  -0.112
  126   1HB   SER  15          1HB       SER  15  -2.930  12.843  -1.513
  127   2HB   SER  15          2HB       SER  15  -4.090  14.139  -1.240
  128    HG   SER  15           HG       SER  15  -1.451  13.947  -0.484
  129    H    ASP  16           H        ASP  16  -2.879  13.694   2.401
  130    HA   ASP  16           HA       ASP  16  -0.651  11.944   2.617
  131   1HB   ASP  16          1HB       ASP  16  -0.544  12.962   5.007
  132   2HB   ASP  16          2HB       ASP  16  -0.267  14.008   3.622
  133    H    HIS  17           H        HIS  17  -3.847  12.025   4.109
  134    HA   HIS  17           HA       HIS  17  -3.497  10.032   6.054
  135   1HB   HIS  17          1HB       HIS  17  -5.846  11.117   4.544
  136   2HB   HIS  17          2HB       HIS  17  -6.060   9.655   5.496
  137    HD1  HIS  17           HD1      HIS  17  -7.669  10.952   7.082
  138    HD2  HIS  17           HD2      HIS  17  -3.783  12.415   7.001
  139    HE1  HIS  17           HE1      HIS  17  -7.495  12.504   9.052
  140    HE2  HIS  17           HE2      HIS  17  -5.166  13.454   8.922
  141    H    LEU  18           H        LEU  18  -4.280   9.892   2.631
  142    HA   LEU  18           HA       LEU  18  -4.609   7.039   2.558
  143   1HB   LEU  18          1HB       LEU  18  -5.878   8.515   1.148
  144   2HB   LEU  18          2HB       LEU  18  -4.422   9.177   0.447
  145    HG   LEU  18           HG       LEU  18  -5.090   6.268   0.140
  146   1HD1  LEU  18          1HD1      LEU  18  -6.600   8.498  -0.802
  147   2HD1  LEU  18          2HD1      LEU  18  -6.879   6.773  -1.073
  148   3HD1  LEU  18          3HD1      LEU  18  -5.840   7.686  -2.171
  149   1HD2  LEU  18          1HD2      LEU  18  -3.245   8.245  -1.087
  150   2HD2  LEU  18          2HD2      LEU  18  -3.932   7.007  -2.137
  151   3HD2  LEU  18          3HD2      LEU  18  -2.992   6.538  -0.721
  152    H    SER  19           H        SER  19  -2.172   9.435   1.664
  153    HA   SER  19           HA       SER  19  -0.383   7.768   0.331
  154   1HB   SER  19          1HB       SER  19  -0.108  10.178   0.266
  155   2HB   SER  19          2HB       SER  19   0.142  10.239   2.011
  156    HG   SER  19           HG       SER  19   1.860   9.309  -0.011
  157    H    LYS  20           H        LYS  20  -1.024   8.234   3.725
  158    HA   LYS  20           HA       LYS  20   1.285   6.719   4.588
  159   1HB   LYS  20          1HB       LYS  20   0.039   8.674   5.826
  160   2HB   LYS  20          2HB       LYS  20  -1.029   7.388   6.370
  161   1HG   LYS  20          1HG       LYS  20   1.346   6.282   6.956
  162   2HG   LYS  20          2HG       LYS  20   1.754   7.990   7.123
  163   1HD   LYS  20          1HD       LYS  20   0.955   7.748   9.209
  164   2HD   LYS  20          2HD       LYS  20  -0.625   7.883   8.435
  165   1HE   LYS  20          1HE       LYS  20   0.745   5.229   8.735
  166   2HE   LYS  20          2HE       LYS  20  -0.205   5.919  10.050
  167   1HZ   LYS  20          1HZ       LYS  20  -1.148   5.165   7.342
  168   2HZ   LYS  20          2HZ       LYS  20  -2.074   6.091   8.412
  169   3HZ   LYS  20          3HZ       LYS  20  -1.631   4.512   8.826
  170    H    HIS  21           H        HIS  21  -2.158   6.214   3.983
  171    HA   HIS  21           HA       HIS  21  -2.225   3.644   5.265
  172   1HB   HIS  21          1HB       HIS  21  -4.347   4.495   5.249
  173   2HB   HIS  21          2HB       HIS  21  -4.127   5.310   3.706
  174    HD1  HIS  21           HD1      HIS  21  -5.984   2.606   5.114
  175    HD2  HIS  21           HD2      HIS  21  -3.994   3.231   1.531
  176    HE1  HIS  21           HE1      HIS  21  -6.975   0.968   3.458
  177    H    ILE  22           H        ILE  22  -1.651   4.781   1.972
  178    HA   ILE  22           HA       ILE  22  -1.944   2.297   0.697
  179    HB   ILE  22           HB       ILE  22  -0.192   3.330  -0.973
  180   1HG1  ILE  22          1HG1      ILE  22  -1.170   5.966  -0.364
  181   2HG1  ILE  22          2HG1      ILE  22  -0.279   5.305   1.002
  182   1HG2  ILE  22          1HG2      ILE  22  -2.060   4.565  -2.055
  183   2HG2  ILE  22          2HG2      ILE  22  -3.016   4.309  -0.597
  184   3HG2  ILE  22          3HG2      ILE  22  -2.484   2.928  -1.556
  185   1HD1  ILE  22          1HD1      ILE  22   1.091   6.629  -0.598
  186   2HD1  ILE  22          2HD1      ILE  22   0.788   5.377  -1.802
  187   3HD1  ILE  22          3HD1      ILE  22   1.669   4.987  -0.325
  188    H    THR  23           H        THR  23   0.953   3.792   2.056
  189    HA   THR  23           HA       THR  23   2.789   1.881   1.244
  190    HB   THR  23           HB       THR  23   2.847   3.302   3.912
  191    HG1  THR  23           HG1      THR  23   2.824   5.020   2.706
  192   1HG2  THR  23          1HG2      THR  23   4.634   1.738   3.782
  193   2HG2  THR  23          2HG2      THR  23   5.299   3.347   3.499
  194   3HG2  THR  23          3HG2      THR  23   5.037   2.249   2.144
  195    H    LEU  24           H        LEU  24   0.447   1.693   3.843
  196    HA   LEU  24           HA       LEU  24   1.567  -0.845   4.778
  197   1HB   LEU  24          1HB       LEU  24  -0.173  -0.683   6.551
  198   2HB   LEU  24          2HB       LEU  24   0.959   0.658   6.540
  199    HG   LEU  24           HG       LEU  24  -0.986   1.647   4.962
  200   1HD1  LEU  24          1HD1      LEU  24  -3.027   0.824   5.293
  201   2HD1  LEU  24          2HD1      LEU  24  -2.773   0.654   7.031
  202   3HD1  LEU  24          3HD1      LEU  24  -2.207  -0.603   5.932
  203   1HD2  LEU  24          1HD2      LEU  24  -1.058   1.837   7.960
  204   2HD2  LEU  24          2HD2      LEU  24  -1.604   3.038   6.790
  205   3HD2  LEU  24          3HD2      LEU  24   0.116   2.678   6.947
  206    H    HIS  25           H        HIS  25  -1.414   0.478   3.372
  207    HA   HIS  25           HA       HIS  25  -2.804  -1.995   3.334
  208   1HB   HIS  25          1HB       HIS  25  -4.508  -0.631   2.881
  209   2HB   HIS  25          2HB       HIS  25  -3.402   0.715   2.724
  210    HD1  HIS  25           HD1      HIS  25  -4.880  -2.027   0.523
  211    HD2  HIS  25           HD2      HIS  25  -3.436   1.867   0.299
  212    HE1  HIS  25           HE1      HIS  25  -5.362  -1.217  -1.823
  213    H    GLU  26           H        GLU  26  -0.502  -0.473   1.197
  214    HA   GLU  26           HA       GLU  26  -1.011  -2.371  -0.948
  215   1HB   GLU  26          1HB       GLU  26  -0.328   0.007  -1.398
  216   2HB   GLU  26          2HB       GLU  26   1.240  -0.365  -0.694
  217   1HG   GLU  26          1HG       GLU  26   1.501  -0.501  -3.030
  218   2HG   GLU  26          2HG       GLU  26   1.480  -2.159  -2.431
  219    H    LEU  27           H        LEU  27   1.070  -1.950   1.815
  220    HA   LEU  27           HA       LEU  27   3.114  -3.775   1.016
  221   1HB   LEU  27          1HB       LEU  27   3.978  -2.579   2.718
  222   2HB   LEU  27          2HB       LEU  27   2.404  -2.244   3.409
  223   1HD1  LEU  27          1HD1      LEU  27   5.453  -3.699   4.131
  224   2HD1  LEU  27          2HD1      LEU  27   4.897  -5.056   3.152
  225   3HD1  LEU  27          3HD1      LEU  27   4.950  -5.199   4.909
  226   1HD2  LEU  27          1HD2      LEU  27   2.044  -3.024   5.565
  227   2HD2  LEU  27          2HD2      LEU  27   3.729  -2.507   5.646
  228   3HD2  LEU  27          3HD2      LEU  27   3.253  -4.073   6.305
  229    H    LEU  28           H        LEU  28   0.261  -4.095   3.128
  230    HA   LEU  28           HA       LEU  28   0.662  -6.985   3.252
  231   1HB   LEU  28          1HB       LEU  28  -0.115  -5.207   5.149
  232   2HB   LEU  28          2HB       LEU  28  -1.673  -5.783   4.593
  233    HG   LEU  28           HG       LEU  28  -0.871  -7.025   6.552
  234   1HD1  LEU  28          1HD1      LEU  28  -0.855  -8.790   4.115
  235   2HD1  LEU  28          2HD1      LEU  28  -2.314  -8.081   4.806
  236   3HD1  LEU  28          3HD1      LEU  28  -1.352  -9.214   5.753
  237   1HD2  LEU  28          1HD2      LEU  28   1.572  -6.779   5.877
  238   2HD2  LEU  28          2HD2      LEU  28   1.300  -8.164   4.819
  239   3HD2  LEU  28          3HD2      LEU  28   1.079  -8.329   6.560
  240    H    GLY  29           H        GLY  29  -2.075  -4.767   2.595
  241   1HA   GLY  29          1HA       GLY  29  -3.576  -4.902   0.798
  242   2HA   GLY  29          2HA       GLY  29  -2.915  -6.477   0.388
  243    H    GLU  30           H        GLU  30  -4.936  -4.793   2.766
  244    HA   GLU  30           HA       GLU  30  -6.781  -7.022   2.784
  245   1HB   GLU  30          1HB       GLU  30  -6.658  -7.556   5.078
  246   2HB   GLU  30          2HB       GLU  30  -4.991  -7.518   4.524
  247   1HG   GLU  30          1HG       GLU  30  -6.183  -5.067   5.736
  248   2HG   GLU  30          2HG       GLU  30  -5.678  -6.395   6.777
  249    H    GLU  31           H        GLU  31  -8.809  -6.531   3.815
  250    HA   GLU  31           HA       GLU  31  -9.313  -3.638   3.935
  251   1HB   GLU  31          1HB       GLU  31 -11.145  -5.961   3.333
  252   2HB   GLU  31          2HB       GLU  31 -11.724  -4.321   3.595
  253   1HG   GLU  31          1HG       GLU  31  -9.836  -5.211   1.424
  254   2HG   GLU  31          2HG       GLU  31 -11.544  -4.824   1.227
  255    H    ARG  32           H        ARG  32 -11.011  -2.920   5.451
  256    HA   ARG  32           HA       ARG  32 -10.407  -3.735   8.095
  257   1HB   ARG  32          1HB       ARG  32 -11.168  -1.436   7.305
  258   2HB   ARG  32          2HB       ARG  32 -12.798  -2.095   7.265
  259   1HG   ARG  32          1HG       ARG  32 -11.871  -2.786   9.777
  260   2HG   ARG  32          2HG       ARG  32 -11.224  -1.165   9.511
  261   1HD   ARG  32          1HD       ARG  32 -13.375  -0.964  10.554
  262   2HD   ARG  32          2HD       ARG  32 -13.507  -0.416   8.884
  263    HE   ARG  32           HE       ARG  32 -14.191  -3.177   9.192
  264   1HH1  ARG  32          1HH1      ARG  32 -15.431   0.081   9.517
  265   2HH1  ARG  32          2HH1      ARG  32 -17.079  -0.393   9.283
  266   1HH2  ARG  32          1HH2      ARG  32 -16.362  -3.796   8.886
  267   2HH2  ARG  32          2HH2      ARG  32 -17.609  -2.595   8.927
  268    H    ARG  33           H        ARG  33 -11.427  -5.068   9.486
  269    HA   ARG  33           HA       ARG  33 -13.280  -6.981   8.459
  270   1HB   ARG  33          1HB       ARG  33 -12.249  -6.483  11.256
  271   2HB   ARG  33          2HB       ARG  33 -13.301  -7.824  10.829
  272   1HG   ARG  33          1HG       ARG  33 -10.669  -7.382   9.459
  273   2HG   ARG  33          2HG       ARG  33 -10.801  -8.280  10.973
  274   1HD   ARG  33          1HD       ARG  33 -10.984 -10.000   9.480
  275   2HD   ARG  33          2HD       ARG  33 -12.684  -9.565   9.652
  276    HE   ARG  33           HE       ARG  33 -11.419  -8.143   7.524
  277   1HH1  ARG  33          1HH1      ARG  33 -12.867 -11.216   8.369
  278   2HH1  ARG  33          2HH1      ARG  33 -13.300 -11.600   6.737
  279   1HH2  ARG  33          1HH2      ARG  33 -12.002  -8.650   5.377
  280   2HH2  ARG  33          2HH2      ARG  33 -12.811 -10.144   5.039
  Start of MODEL    5
    1    H    TYR   1           H        TYR   1 -12.704  15.192   1.315
    2    HA   TYR   1           HA       TYR   1 -12.372  12.923   1.260
    3   1HB   TYR   1          1HB       TYR   1 -14.274  11.363   0.801
    4   2HB   TYR   1          2HB       TYR   1 -14.402  12.195   2.344
    5    HD1  TYR   1           HD1      TYR   1 -15.952  11.585  -0.858
    6    HD2  TYR   1           HD2      TYR   1 -16.019  14.107   2.569
    7    HE1  TYR   1           HE1      TYR   1 -18.207  12.347  -1.470
    8    HE2  TYR   1           HE2      TYR   1 -18.274  14.876   1.966
    9    HH   TYR   1           HH       TYR   1 -19.574  14.863  -0.693
   10    H    LYS   2           H        LYS   2 -11.243  12.827  -0.559
   11    HA   LYS   2           HA       LYS   2 -12.434  12.409  -3.085
   12   1HB   LYS   2          1HB       LYS   2 -11.486  14.517  -4.173
   13   2HB   LYS   2          2HB       LYS   2 -12.952  14.705  -3.222
   14   1HG   LYS   2          1HG       LYS   2 -11.942  15.985  -1.661
   15   2HG   LYS   2          2HG       LYS   2 -10.411  15.117  -1.780
   16   1HD   LYS   2          1HD       LYS   2  -9.901  16.262  -3.865
   17   2HD   LYS   2          2HD       LYS   2 -11.459  17.089  -3.810
   18   1HE   LYS   2          1HE       LYS   2  -9.959  18.673  -2.984
   19   2HE   LYS   2          2HE       LYS   2 -10.686  17.982  -1.534
   20   1HZ   LYS   2          1HZ       LYS   2  -8.266  18.216  -1.361
   21   2HZ   LYS   2          2HZ       LYS   2  -8.064  17.166  -2.671
   22   3HZ   LYS   2          3HZ       LYS   2  -8.751  16.601  -1.231
   23    H    PHE   3           H        PHE   3 -10.616  10.906  -1.816
   24    HA   PHE   3           HA       PHE   3  -8.408  10.907  -3.651
   25   1HB   PHE   3          1HB       PHE   3  -7.939  12.508  -1.554
   26   2HB   PHE   3          2HB       PHE   3  -7.470  10.976  -0.829
   27    HD1  PHE   3           HD1      PHE   3  -6.664  13.482  -3.357
   28    HD2  PHE   3           HD2      PHE   3  -5.544   9.760  -1.643
   29    HE1  PHE   3           HE1      PHE   3  -4.460  13.649  -4.437
   30    HE2  PHE   3           HE2      PHE   3  -3.337   9.911  -2.713
   31    HZ   PHE   3           HZ       PHE   3  -2.793  11.864  -4.118
   32    H    ALA   4           H        ALA   4  -8.563   8.831  -4.222
   33    HA   ALA   4           HA       ALA   4  -8.860   6.806  -2.136
   34   1HB   ALA   4          1HB       ALA   4  -9.662   6.818  -5.024
   35   2HB   ALA   4          2HB       ALA   4 -10.678   6.599  -3.599
   36   3HB   ALA   4          3HB       ALA   4  -9.560   5.326  -4.089
   37    H    CYS   5           H        CYS   5  -7.525   4.993  -2.088
   38    HA   CYS   5           HA       CYS   5  -4.848   5.380  -2.884
   39   1HB   CYS   5          1HB       CYS   5  -6.202   2.819  -2.019
   40   2HB   CYS   5          2HB       CYS   5  -4.467   3.106  -2.059
   41    HG   CYS   5           HG       CYS   5  -5.922   3.503   0.326
   42    HA   PRO   6           HA       PRO   6  -4.637   3.767  -6.988
   43   1HB   PRO   6          1HB       PRO   6  -2.126   2.401  -6.268
   44   2HB   PRO   6          2HB       PRO   6  -2.406   3.689  -7.442
   45   1HG   PRO   6          1HG       PRO   6  -1.118   4.147  -5.135
   46   2HG   PRO   6          2HG       PRO   6  -2.189   5.358  -5.865
   47   1HD   PRO   6          1HD       PRO   6  -2.709   3.500  -3.575
   48   2HD   PRO   6          2HD       PRO   6  -3.162   5.207  -3.769
   49    H    GLU   7           H        GLU   7  -4.388   1.631  -4.238
   50    HA   GLU   7           HA       GLU   7  -4.832  -0.716  -5.931
   51   1HB   GLU   7          1HB       GLU   7  -3.604  -0.264  -3.304
   52   2HB   GLU   7          2HB       GLU   7  -4.637  -1.685  -3.379
   53   1HG   GLU   7          1HG       GLU   7  -2.833  -2.734  -4.149
   54   2HG   GLU   7          2HG       GLU   7  -3.185  -1.925  -5.674
   55    H    CYS   8           H        CYS   8  -6.234   0.796  -2.983
   56    HA   CYS   8           HA       CYS   8  -8.641  -0.814  -3.442
   57   1HB   CYS   8          1HB       CYS   8  -9.316  -0.268  -1.184
   58   2HB   CYS   8          2HB       CYS   8  -7.714  -0.948  -1.194
   59    HG   CYS   8           HG       CYS   8  -7.335   1.001   0.307
   60    HA   PRO   9           HA       PRO   9 -11.165   2.562  -4.558
   61   1HB   PRO   9          1HB       PRO   9 -13.566   1.627  -3.841
   62   2HB   PRO   9          2HB       PRO   9 -12.607   0.830  -5.094
   63   1HG   PRO   9          1HG       PRO   9 -13.019   0.054  -2.240
   64   2HG   PRO   9          2HG       PRO   9 -12.898  -0.975  -3.677
   65   1HD   PRO   9          1HD       PRO   9 -10.826  -0.458  -1.875
   66   2HD   PRO   9          2HD       PRO   9 -10.625  -1.096  -3.512
   67    H    LYS  10           H        LYS  10 -10.633   1.891  -1.273
   68    HA   LYS  10           HA       LYS  10 -12.541   3.370   0.079
   69   1HB   LYS  10          1HB       LYS  10  -9.685   2.678   0.657
   70   2HB   LYS  10          2HB       LYS  10 -10.542   3.781   1.724
   71   1HG   LYS  10          1HG       LYS  10 -11.494   1.009   1.030
   72   2HG   LYS  10          2HG       LYS  10 -10.562   1.414   2.472
   73   1HD   LYS  10          1HD       LYS  10 -12.503   1.824   3.488
   74   2HD   LYS  10          2HD       LYS  10 -12.659   3.245   2.454
   75   1HE   LYS  10          1HE       LYS  10 -13.563   1.406   0.751
   76   2HE   LYS  10          2HE       LYS  10 -13.975   0.593   2.261
   77   1HZ   LYS  10          1HZ       LYS  10 -15.804   1.948   1.499
   78   2HZ   LYS  10          2HZ       LYS  10 -14.824   3.325   1.462
   79   3HZ   LYS  10          3HZ       LYS  10 -15.188   2.587   2.940
   80    H    ARG  11           H        ARG  11 -13.043   5.439   0.133
   81    HA   ARG  11           HA       ARG  11 -11.211   7.381  -1.062
   82   1HB   ARG  11          1HB       ARG  11 -13.138   8.887  -1.158
   83   2HB   ARG  11          2HB       ARG  11 -13.499   7.351  -1.931
   84   1HG   ARG  11          1HG       ARG  11 -14.462   6.777   0.463
   85   2HG   ARG  11          2HG       ARG  11 -14.600   8.533   0.560
   86   1HD   ARG  11          1HD       ARG  11 -15.994   8.611  -1.367
   87   2HD   ARG  11          2HD       ARG  11 -15.673   6.919  -1.745
   88    HE   ARG  11           HE       ARG  11 -16.834   7.068   0.802
   89   1HH1  ARG  11          1HH1      ARG  11 -17.701   7.583  -2.550
   90   2HH1  ARG  11          2HH1      ARG  11 -19.371   7.197  -2.304
   91   1HH2  ARG  11          1HH2      ARG  11 -19.030   6.558   1.120
   92   2HH2  ARG  11          2HH2      ARG  11 -20.126   6.615  -0.219
   93    H    PHE  12           H        PHE  12  -9.904   8.451   0.239
   94    HA   PHE  12           HA       PHE  12 -10.538   8.724   3.073
   95   1HB   PHE  12          1HB       PHE  12  -8.040   9.528   1.569
   96   2HB   PHE  12          2HB       PHE  12  -8.236   9.547   3.310
   97    HD1  PHE  12           HD1      PHE  12  -6.995   7.932   4.333
   98    HD2  PHE  12           HD2      PHE  12  -8.870   6.991   0.627
   99    HE1  PHE  12           HE1      PHE  12  -6.083   5.651   4.452
  100    HE2  PHE  12           HE2      PHE  12  -7.969   4.708   0.747
  101    HZ   PHE  12           HZ       PHE  12  -6.558   4.029   2.655
  102    H    MET  13           H        MET  13  -9.516  11.015   3.904
  103    HA   MET  13           HA       MET  13 -11.220  13.015   2.636
  104   1HB   MET  13          1HB       MET  13  -9.901  12.791   5.318
  105   2HB   MET  13          2HB       MET  13 -10.468  14.352   4.740
  106   1HG   MET  13          1HG       MET  13 -12.693  13.689   4.749
  107   2HG   MET  13          2HG       MET  13 -12.281  11.976   4.758
  108   1HE   MET  13          1HE       MET  13 -13.412  10.908   6.882
  109   2HE   MET  13          2HE       MET  13 -14.411  12.313   6.510
  110   3HE   MET  13          3HE       MET  13 -13.947  11.978   8.178
  111    H    ARG  14           H        ARG  14  -7.811  12.405   3.310
  112    HA   ARG  14           HA       ARG  14  -7.129  14.683   1.573
  113   1HB   ARG  14          1HB       ARG  14  -5.788  13.968   4.186
  114   2HB   ARG  14          2HB       ARG  14  -5.167  15.145   3.040
  115   1HG   ARG  14          1HG       ARG  14  -6.914  16.643   3.454
  116   2HG   ARG  14          2HG       ARG  14  -7.909  15.406   4.225
  117   1HD   ARG  14          1HD       ARG  14  -7.119  16.608   6.037
  118   2HD   ARG  14          2HD       ARG  14  -5.977  15.270   5.941
  119    HE   ARG  14           HE       ARG  14  -5.034  17.472   4.438
  120   1HH1  ARG  14          1HH1      ARG  14  -5.439  16.397   7.746
  121   2HH1  ARG  14          2HH1      ARG  14  -4.125  17.352   8.345
  122   1HH2  ARG  14          1HH2      ARG  14  -3.304  18.726   5.233
  123   2HH2  ARG  14          2HH2      ARG  14  -2.913  18.675   6.920
  124    H    SER  15           H        SER  15  -4.918  14.545   0.670
  125    HA   SER  15           HA       SER  15  -4.430  12.026  -0.496
  126   1HB   SER  15          1HB       SER  15  -2.335  13.090  -1.344
  127   2HB   SER  15          2HB       SER  15  -3.777  14.053  -1.650
  128    HG   SER  15           HG       SER  15  -3.057  15.555  -0.344
  129    H    ASP  16           H        ASP  16  -2.837  13.759   2.160
  130    HA   ASP  16           HA       ASP  16  -0.767  11.891   2.591
  131   1HB   ASP  16          1HB       ASP  16  -0.771  12.920   4.961
  132   2HB   ASP  16          2HB       ASP  16  -0.396  13.965   3.598
  133    H    HIS  17           H        HIS  17  -4.108  12.000   3.657
  134    HA   HIS  17           HA       HIS  17  -4.049  10.171   5.758
  135   1HB   HIS  17          1HB       HIS  17  -6.161  10.844   3.717
  136   2HB   HIS  17          2HB       HIS  17  -6.446   9.630   4.954
  137    HD1  HIS  17           HD1      HIS  17  -8.387  11.450   5.587
  138    HD2  HIS  17           HD2      HIS  17  -4.458  12.505   6.427
  139    HE1  HIS  17           HE1      HIS  17  -8.536  13.347   7.232
  140    HE2  HIS  17           HE2      HIS  17  -6.148  14.004   7.684
  141    H    LEU  18           H        LEU  18  -3.843   9.677   2.305
  142    HA   LEU  18           HA       LEU  18  -4.144   6.792   2.507
  143   1HB   LEU  18          1HB       LEU  18  -3.422   8.562   0.184
  144   2HB   LEU  18          2HB       LEU  18  -3.643   6.830   0.083
  145    HG   LEU  18           HG       LEU  18  -6.022   7.250   0.908
  146   1HD1  LEU  18          1HD1      LEU  18  -5.082  10.031   0.335
  147   2HD1  LEU  18          2HD1      LEU  18  -6.031   9.433   1.694
  148   3HD1  LEU  18          3HD1      LEU  18  -6.771   9.585   0.101
  149   1HD2  LEU  18          1HD2      LEU  18  -6.653   8.049  -1.449
  150   2HD2  LEU  18          2HD2      LEU  18  -5.751   6.544  -1.287
  151   3HD2  LEU  18          3HD2      LEU  18  -4.918   8.024  -1.758
  152    H    SER  19           H        SER  19  -1.674   9.132   1.486
  153    HA   SER  19           HA       SER  19   0.412   7.614   0.825
  154   1HB   SER  19          1HB       SER  19   0.692   9.981   0.836
  155   2HB   SER  19          2HB       SER  19   0.437  10.078   2.578
  156    HG   SER  19           HG       SER  19   2.460   9.558   2.900
  157    H    LYS  20           H        LYS  20  -0.587   8.133   4.191
  158    HA   LYS  20           HA       LYS  20   1.554   6.521   5.253
  159   1HB   LYS  20          1HB       LYS  20  -0.788   7.986   6.369
  160   2HB   LYS  20          2HB       LYS  20  -0.115   6.677   7.329
  161   1HG   LYS  20          1HG       LYS  20   2.144   7.996   6.708
  162   2HG   LYS  20          2HG       LYS  20   0.992   9.334   6.706
  163   1HD   LYS  20          1HD       LYS  20   0.276   8.743   8.958
  164   2HD   LYS  20          2HD       LYS  20   1.376   7.362   8.960
  165   1HE   LYS  20          1HE       LYS  20   3.286   8.845   8.799
  166   2HE   LYS  20          2HE       LYS  20   2.222  10.245   8.683
  167   1HZ   LYS  20          1HZ       LYS  20   3.099   9.985  10.915
  168   2HZ   LYS  20          2HZ       LYS  20   2.444   8.430  11.025
  169   3HZ   LYS  20          3HZ       LYS  20   1.420   9.772  10.916
  170    H    HIS  21           H        HIS  21  -1.808   6.053   4.349
  171    HA   HIS  21           HA       HIS  21  -1.984   3.423   5.524
  172   1HB   HIS  21          1HB       HIS  21  -4.067   4.383   5.545
  173   2HB   HIS  21          2HB       HIS  21  -3.809   5.244   4.037
  174    HD1  HIS  21           HD1      HIS  21  -5.977   2.801   5.266
  175    HD2  HIS  21           HD2      HIS  21  -3.625   3.018   1.855
  176    HE1  HIS  21           HE1      HIS  21  -7.038   1.249   3.572
  177    H    ILE  22           H        ILE  22  -1.484   4.740   2.253
  178    HA   ILE  22           HA       ILE  22  -1.809   2.308   0.893
  179    HB   ILE  22           HB       ILE  22  -0.299   3.405  -0.881
  180   1HG1  ILE  22          1HG1      ILE  22  -0.887   6.068  -0.106
  181   2HG1  ILE  22          2HG1      ILE  22  -0.066   5.282   1.239
  182   1HG2  ILE  22          1HG2      ILE  22  -2.335   5.203  -1.120
  183   2HG2  ILE  22          2HG2      ILE  22  -3.046   3.992  -0.054
  184   3HG2  ILE  22          3HG2      ILE  22  -2.413   3.515  -1.629
  185   1HD1  ILE  22          1HD1      ILE  22   1.847   4.845  -0.037
  186   2HD1  ILE  22          2HD1      ILE  22   1.374   6.490  -0.466
  187   3HD1  ILE  22          3HD1      ILE  22   1.001   5.152  -1.554
  188    H    THR  23           H        THR  23   1.171   3.843   2.046
  189    HA   THR  23           HA       THR  23   3.013   2.099   1.041
  190    HB   THR  23           HB       THR  23   3.045   3.309   3.815
  191    HG1  THR  23           HG1      THR  23   3.089   5.044   2.616
  192   1HG2  THR  23          1HG2      THR  23   4.797   1.731   3.784
  193   2HG2  THR  23          2HG2      THR  23   5.534   3.302   3.468
  194   3HG2  THR  23          3HG2      THR  23   5.264   2.173   2.141
  195    H    LEU  24           H        LEU  24   0.777   1.449   3.644
  196    HA   LEU  24           HA       LEU  24   2.027  -1.172   4.119
  197   1HB   LEU  24          1HB       LEU  24   0.511  -1.304   6.071
  198   2HB   LEU  24          2HB       LEU  24   1.582   0.087   6.137
  199    HG   LEU  24           HG       LEU  24  -0.577   1.116   4.866
  200   1HD1  LEU  24          1HD1      LEU  24  -2.059  -0.094   7.042
  201   2HD1  LEU  24          2HD1      LEU  24  -1.565  -1.258   5.813
  202   3HD1  LEU  24          3HD1      LEU  24  -2.512   0.161   5.354
  203   1HD2  LEU  24          1HD2      LEU  24  -0.984   2.347   6.862
  204   2HD2  LEU  24          2HD2      LEU  24   0.749   2.030   6.786
  205   3HD2  LEU  24          3HD2      LEU  24  -0.276   1.076   7.858
  206    H    HIS  25           H        HIS  25  -1.024   0.382   3.205
  207    HA   HIS  25           HA       HIS  25  -2.505  -2.007   2.960
  208   1HB   HIS  25          1HB       HIS  25  -4.154  -0.499   2.883
  209   2HB   HIS  25          2HB       HIS  25  -3.025   0.805   2.602
  210    HD1  HIS  25           HD1      HIS  25  -5.003  -1.762   0.620
  211    HD2  HIS  25           HD2      HIS  25  -3.237   1.979   0.187
  212    HE1  HIS  25           HE1      HIS  25  -5.748  -0.875  -1.625
  213    H    GLU  26           H        GLU  26  -0.315  -0.326   0.810
  214    HA   GLU  26           HA       GLU  26  -1.125  -1.681  -1.563
  215   1HB   GLU  26          1HB       GLU  26   0.896  -0.855  -2.555
  216   2HB   GLU  26          2HB       GLU  26   0.253   0.414  -1.525
  217   1HG   GLU  26          1HG       GLU  26   1.867  -0.459   0.251
  218   2HG   GLU  26          2HG       GLU  26   2.631  -1.348  -1.065
  219    H    LEU  27           H        LEU  27   0.621  -2.603   1.262
  220    HA   LEU  27           HA       LEU  27   1.670  -5.001  -0.109
  221   1HB   LEU  27          1HB       LEU  27   2.417  -3.689   2.497
  222   2HB   LEU  27          2HB       LEU  27   2.935  -5.313   2.085
  223   1HD1  LEU  27          1HD1      LEU  27   2.798  -1.939   1.144
  224   2HD1  LEU  27          2HD1      LEU  27   4.111  -1.894  -0.035
  225   3HD1  LEU  27          3HD1      LEU  27   4.475  -1.880   1.690
  226   1HD2  LEU  27          1HD2      LEU  27   5.624  -3.483   2.109
  227   2HD2  LEU  27          2HD2      LEU  27   5.829  -4.605   0.763
  228   3HD2  LEU  27          3HD2      LEU  27   4.952  -5.111   2.206
  229    H    LEU  28           H        LEU  28   0.903  -4.684   3.330
  230    HA   LEU  28           HA       LEU  28  -0.958  -6.942   3.047
  231   1HB   LEU  28          1HB       LEU  28   1.190  -6.866   4.609
  232   2HB   LEU  28          2HB       LEU  28   0.076  -6.070   5.703
  233    HG   LEU  28           HG       LEU  28  -1.340  -8.299   4.872
  234   1HD1  LEU  28          1HD1      LEU  28   0.142 -10.189   5.163
  235   2HD1  LEU  28          2HD1      LEU  28   1.519  -9.109   5.380
  236   3HD1  LEU  28          3HD1      LEU  28   0.698  -9.190   3.821
  237   1HD2  LEU  28          1HD2      LEU  28  -0.938  -9.108   7.145
  238   2HD2  LEU  28          2HD2      LEU  28  -1.271  -7.376   7.127
  239   3HD2  LEU  28          3HD2      LEU  28   0.385  -7.954   7.323
  240    H    GLY  29           H        GLY  29  -2.371  -5.029   2.251
  241   1HA   GLY  29          1HA       GLY  29  -3.424  -3.232   4.203
  242   2HA   GLY  29          2HA       GLY  29  -4.092  -3.542   2.610
  243    H    GLU  30           H        GLU  30  -5.671  -3.121   4.873
  244    HA   GLU  30           HA       GLU  30  -6.539  -5.569   6.040
  245   1HB   GLU  30          1HB       GLU  30  -8.342  -4.281   6.997
  246   2HB   GLU  30          2HB       GLU  30  -6.862  -3.339   7.093
  247   1HG   GLU  30          1HG       GLU  30  -7.661  -2.248   4.906
  248   2HG   GLU  30          2HG       GLU  30  -9.231  -2.940   5.309
  249    H    GLU  31           H        GLU  31  -8.178  -6.934   5.490
  250    HA   GLU  31           HA       GLU  31  -9.281  -6.609   2.800
  251   1HB   GLU  31          1HB       GLU  31  -8.970  -8.961   4.649
  252   2HB   GLU  31          2HB       GLU  31 -10.056  -9.037   3.267
  253   1HG   GLU  31          1HG       GLU  31  -8.149  -8.469   1.795
  254   2HG   GLU  31          2HG       GLU  31  -7.089  -8.539   3.201
  255    H    ARG  32           H        ARG  32 -10.688  -4.871   3.667
  256    HA   ARG  32           HA       ARG  32 -13.020  -5.900   5.131
  257   1HB   ARG  32          1HB       ARG  32 -11.528  -3.548   5.431
  258   2HB   ARG  32          2HB       ARG  32 -13.038  -3.038   4.691
  259   1HG   ARG  32          1HG       ARG  32 -14.256  -3.502   6.529
  260   2HG   ARG  32          2HG       ARG  32 -13.281  -4.910   6.954
  261   1HD   ARG  32          1HD       ARG  32 -11.683  -3.631   8.047
  262   2HD   ARG  32          2HD       ARG  32 -12.142  -2.154   7.202
  263    HE   ARG  32           HE       ARG  32 -13.325  -3.232   9.600
  264   1HH1  ARG  32          1HH1      ARG  32 -13.788  -1.075   6.878
  265   2HH1  ARG  32          2HH1      ARG  32 -14.979  -0.115   7.686
  266   1HH2  ARG  32          1HH2      ARG  32 -14.897  -1.957  10.658
  267   2HH2  ARG  32          2HH2      ARG  32 -15.609  -0.614   9.828
  268    H    ARG  33           H        ARG  33 -15.040  -5.861   4.273
  269    HA   ARG  33           HA       ARG  33 -15.274  -5.645   1.425
  270   1HB   ARG  33          1HB       ARG  33 -17.293  -6.171   3.606
  271   2HB   ARG  33          2HB       ARG  33 -17.719  -6.117   1.901
  272   1HG   ARG  33          1HG       ARG  33 -16.302  -7.995   1.428
  273   2HG   ARG  33          2HG       ARG  33 -15.680  -7.992   3.080
  274   1HD   ARG  33          1HD       ARG  33 -18.251  -8.217   3.660
  275   2HD   ARG  33          2HD       ARG  33 -18.314  -8.897   2.034
  276    HE   ARG  33           HE       ARG  33 -16.233 -10.178   3.313
  277   1HH1  ARG  33          1HH1      ARG  33 -19.683  -9.838   3.807
  278   2HH1  ARG  33          2HH1      ARG  33 -19.849 -11.381   4.575
  279   1HH2  ARG  33          1HH2      ARG  33 -16.457 -12.210   4.325
  280   2HH2  ARG  33          2HH2      ARG  33 -18.018 -12.727   4.869
  Start of MODEL    6
    1    H    TYR   1           H        TYR   1 -12.718  14.399   2.287
    2    HA   TYR   1           HA       TYR   1 -12.231  12.073   1.590
    3   1HB   TYR   1          1HB       TYR   1 -14.713  11.542   1.579
    4   2HB   TYR   1          2HB       TYR   1 -14.160  12.555   2.906
    5    HD1  TYR   1           HD1      TYR   1 -14.806  14.906   3.032
    6    HD2  TYR   1           HD2      TYR   1 -16.169  12.433  -0.152
    7    HE1  TYR   1           HE1      TYR   1 -16.500  16.591   2.455
    8    HE2  TYR   1           HE2      TYR   1 -17.865  14.112  -0.738
    9    HH   TYR   1           HH       TYR   1 -17.868  17.013  -0.139
   10    H    LYS   2           H        LYS   2 -11.398  13.329  -0.783
   11    HA   LYS   2           HA       LYS   2 -12.854  11.726  -2.772
   12   1HB   LYS   2          1HB       LYS   2 -12.441  13.519  -4.443
   13   2HB   LYS   2          2HB       LYS   2 -13.521  14.010  -3.147
   14   1HG   LYS   2          1HG       LYS   2 -11.502  15.064  -2.042
   15   2HG   LYS   2          2HG       LYS   2 -10.649  14.789  -3.562
   16   1HD   LYS   2          1HD       LYS   2 -13.275  16.246  -3.458
   17   2HD   LYS   2          2HD       LYS   2 -11.739  17.078  -3.208
   18   1HE   LYS   2          1HE       LYS   2 -11.131  15.779  -5.451
   19   2HE   LYS   2          2HE       LYS   2 -12.877  15.872  -5.669
   20   1HZ   LYS   2          1HZ       LYS   2 -11.819  17.764  -6.680
   21   2HZ   LYS   2          2HZ       LYS   2 -11.036  18.162  -5.235
   22   3HZ   LYS   2          3HZ       LYS   2 -12.719  18.285  -5.345
   23    H    PHE   3           H        PHE   3 -10.585  10.839  -1.398
   24    HA   PHE   3           HA       PHE   3  -8.640  10.737  -3.601
   25   1HB   PHE   3          1HB       PHE   3  -8.060  12.148  -1.396
   26   2HB   PHE   3          2HB       PHE   3  -7.584  10.554  -0.824
   27    HD1  PHE   3           HD1      PHE   3  -7.141  12.744  -3.816
   28    HD2  PHE   3           HD2      PHE   3  -5.410   9.895  -1.174
   29    HE1  PHE   3           HE1      PHE   3  -4.987  12.970  -4.982
   30    HE2  PHE   3           HE2      PHE   3  -3.256  10.110  -2.332
   31    HZ   PHE   3           HZ       PHE   3  -3.041  11.654  -4.242
   32    H    ALA   4           H        ALA   4  -8.422   8.723  -4.291
   33    HA   ALA   4           HA       ALA   4  -8.878   6.527  -2.416
   34   1HB   ALA   4          1HB       ALA   4 -10.594   6.644  -4.144
   35   2HB   ALA   4          2HB       ALA   4  -9.625   5.180  -4.308
   36   3HB   ALA   4          3HB       ALA   4  -9.350   6.545  -5.389
   37    H    CYS   5           H        CYS   5  -7.372   4.954  -2.211
   38    HA   CYS   5           HA       CYS   5  -4.722   5.424  -3.002
   39   1HB   CYS   5          1HB       CYS   5  -5.866   2.740  -2.222
   40   2HB   CYS   5          2HB       CYS   5  -4.207   3.289  -2.038
   41    HG   CYS   5           HG       CYS   5  -5.046   4.891  -0.131
   42    HA   PRO   6           HA       PRO   6  -4.373   3.746  -7.077
   43   1HB   PRO   6          1HB       PRO   6  -1.950   2.471  -6.922
   44   2HB   PRO   6          2HB       PRO   6  -2.134   4.218  -7.104
   45   1HG   PRO   6          1HG       PRO   6  -1.592   2.615  -4.638
   46   2HG   PRO   6          2HG       PRO   6  -0.895   4.165  -5.144
   47   1HD   PRO   6          1HD       PRO   6  -2.846   4.003  -3.292
   48   2HD   PRO   6          2HD       PRO   6  -2.729   5.367  -4.420
   49    H    GLU   7           H        GLU   7  -4.217   1.690  -4.276
   50    HA   GLU   7           HA       GLU   7  -4.576  -0.726  -5.880
   51   1HB   GLU   7          1HB       GLU   7  -3.901  -0.235  -2.995
   52   2HB   GLU   7          2HB       GLU   7  -4.440  -1.812  -3.546
   53   1HG   GLU   7          1HG       GLU   7  -2.146  -2.006  -3.608
   54   2HG   GLU   7          2HG       GLU   7  -2.541  -1.602  -5.278
   55    H    CYS   8           H        CYS   8  -6.113   0.838  -3.022
   56    HA   CYS   8           HA       CYS   8  -8.584  -0.590  -3.725
   57   1HB   CYS   8          1HB       CYS   8  -9.351  -0.232  -1.470
   58   2HB   CYS   8          2HB       CYS   8  -7.787  -0.991  -1.449
   59    HG   CYS   8           HG       CYS   8  -8.068   1.026   0.320
   60    HA   PRO   9           HA       PRO   9 -10.791   3.075  -4.609
   61   1HB   PRO   9          1HB       PRO   9 -13.280   2.179  -4.299
   62   2HB   PRO   9          2HB       PRO   9 -12.207   1.462  -5.507
   63   1HG   PRO   9          1HG       PRO   9 -12.977   0.434  -2.806
   64   2HG   PRO   9          2HG       PRO   9 -12.758  -0.456  -4.324
   65   1HD   PRO   9          1HD       PRO   9 -10.854  -0.237  -2.281
   66   2HD   PRO   9          2HD       PRO   9 -10.525  -0.730  -3.947
   67    H    LYS  10           H        LYS  10 -10.312   2.229  -1.468
   68    HA   LYS  10           HA       LYS  10 -12.394   3.375  -0.021
   69   1HB   LYS  10          1HB       LYS  10 -10.060   2.084   0.608
   70   2HB   LYS  10          2HB       LYS  10  -9.731   3.720   1.165
   71   1HG   LYS  10          1HG       LYS  10 -10.771   3.143   3.039
   72   2HG   LYS  10          2HG       LYS  10 -12.272   3.230   2.112
   73   1HD   LYS  10          1HD       LYS  10 -12.397   0.940   1.848
   74   2HD   LYS  10          2HD       LYS  10 -10.660   0.716   2.061
   75   1HE   LYS  10          1HE       LYS  10 -12.217   1.781   4.356
   76   2HE   LYS  10          2HE       LYS  10 -12.414   0.077   3.950
   77   1HZ   LYS  10          1HZ       LYS  10  -9.814   1.409   4.492
   78   2HZ   LYS  10          2HZ       LYS  10 -10.045  -0.237   4.178
   79   3HZ   LYS  10          3HZ       LYS  10 -10.663   0.448   5.595
   80    H    ARG  11           H        ARG  11 -12.942   5.364   0.531
   81    HA   ARG  11           HA       ARG  11 -11.313   7.595  -0.475
   82   1HB   ARG  11          1HB       ARG  11 -13.445   8.938  -0.087
   83   2HB   ARG  11          2HB       ARG  11 -13.492   7.755  -1.386
   84   1HG   ARG  11          1HG       ARG  11 -14.433   6.881   1.286
   85   2HG   ARG  11          2HG       ARG  11 -15.447   8.012   0.389
   86   1HD   ARG  11          1HD       ARG  11 -14.374   5.583  -0.979
   87   2HD   ARG  11          2HD       ARG  11 -15.759   5.430   0.099
   88    HE   ARG  11           HE       ARG  11 -16.469   7.468  -1.534
   89   1HH1  ARG  11          1HH1      ARG  11 -15.313   4.219  -2.144
   90   2HH1  ARG  11          2HH1      ARG  11 -16.172   4.063  -3.639
   91   1HH2  ARG  11          1HH2      ARG  11 -17.596   7.257  -3.505
   92   2HH2  ARG  11          2HH2      ARG  11 -17.467   5.788  -4.412
   93    H    PHE  12           H        PHE  12 -10.103   8.625   0.968
   94    HA   PHE  12           HA       PHE  12 -10.735   8.353   3.807
   95   1HB   PHE  12          1HB       PHE  12  -8.255   9.448   2.460
   96   2HB   PHE  12          2HB       PHE  12  -8.456   9.225   4.191
   97    HD1  PHE  12           HD1      PHE  12  -7.277   7.459   5.025
   98    HD2  PHE  12           HD2      PHE  12  -8.967   7.114   1.132
   99    HE1  PHE  12           HE1      PHE  12  -6.350   5.191   4.823
  100    HE2  PHE  12           HE2      PHE  12  -8.046   4.848   0.929
  101    HZ   PHE  12           HZ       PHE  12  -6.729   3.880   2.772
  102    H    MET  13           H        MET  13  -8.892  11.118   2.796
  103    HA   MET  13           HA       MET  13 -11.077  12.971   2.777
  104   1HB   MET  13          1HB       MET  13  -9.869  12.307   5.282
  105   2HB   MET  13          2HB       MET  13  -9.432  13.959   4.876
  106   1HG   MET  13          1HG       MET  13 -11.648  14.669   4.856
  107   2HG   MET  13          2HG       MET  13 -12.270  13.027   4.711
  108   1HE   MET  13          1HE       MET  13 -13.910  12.693   6.857
  109   2HE   MET  13          2HE       MET  13 -13.860  14.412   6.463
  110   3HE   MET  13          3HE       MET  13 -13.733  13.888   8.142
  111    H    ARG  14           H        ARG  14  -7.584  12.634   3.350
  112    HA   ARG  14           HA       ARG  14  -7.111  14.727   1.332
  113   1HB   ARG  14          1HB       ARG  14  -5.711  14.333   3.978
  114   2HB   ARG  14          2HB       ARG  14  -5.052  15.323   2.685
  115   1HG   ARG  14          1HG       ARG  14  -6.109  16.965   3.802
  116   2HG   ARG  14          2HG       ARG  14  -7.494  16.408   2.863
  117   1HD   ARG  14          1HD       ARG  14  -7.590  14.735   5.004
  118   2HD   ARG  14          2HD       ARG  14  -6.952  16.204   5.743
  119    HE   ARG  14           HE       ARG  14  -9.215  16.741   4.093
  120   1HH1  ARG  14          1HH1      ARG  14  -8.282  15.556   7.253
  121   2HH1  ARG  14          2HH1      ARG  14  -9.777  16.009   7.998
  122   1HH2  ARG  14          1HH2      ARG  14 -11.182  17.334   5.080
  123   2HH2  ARG  14          2HH2      ARG  14 -11.425  17.018   6.765
  124    H    SER  15           H        SER  15  -4.776  14.621   0.512
  125    HA   SER  15           HA       SER  15  -4.325  12.099  -0.634
  126   1HB   SER  15          1HB       SER  15  -2.159  13.095  -1.401
  127   2HB   SER  15          2HB       SER  15  -3.566  14.090  -1.762
  128    HG   SER  15           HG       SER  15  -2.861  15.579  -0.435
  129    H    ASP  16           H        ASP  16  -2.761  13.717   2.117
  130    HA   ASP  16           HA       ASP  16  -0.774  11.748   2.535
  131   1HB   ASP  16          1HB       ASP  16  -0.482  12.773   4.754
  132   2HB   ASP  16          2HB       ASP  16  -0.548  13.979   3.476
  133    H    HIS  17           H        HIS  17  -4.115  12.022   3.616
  134    HA   HIS  17           HA       HIS  17  -4.159  10.179   5.695
  135   1HB   HIS  17          1HB       HIS  17  -6.215  10.906   3.616
  136   2HB   HIS  17          2HB       HIS  17  -6.552   9.700   4.850
  137    HD1  HIS  17           HD1      HIS  17  -8.265  11.001   6.166
  138    HD2  HIS  17           HD2      HIS  17  -4.717  13.093   5.626
  139    HE1  HIS  17           HE1      HIS  17  -8.451  13.033   7.638
  140    HE2  HIS  17           HE2      HIS  17  -6.276  14.264   7.324
  141    H    LEU  18           H        LEU  18  -4.071   9.664   2.224
  142    HA   LEU  18           HA       LEU  18  -4.341   6.776   2.487
  143   1HB   LEU  18          1HB       LEU  18  -3.865   8.548   0.105
  144   2HB   LEU  18          2HB       LEU  18  -4.008   6.809   0.016
  145    HG   LEU  18           HG       LEU  18  -6.329   7.005   0.885
  146   1HD1  LEU  18          1HD1      LEU  18  -7.356   9.308   0.624
  147   2HD1  LEU  18          2HD1      LEU  18  -5.708   9.935   0.655
  148   3HD1  LEU  18          3HD1      LEU  18  -6.343   9.058   2.046
  149   1HD2  LEU  18          1HD2      LEU  18  -6.656   8.654  -1.407
  150   2HD2  LEU  18          2HD2      LEU  18  -6.861   6.909  -1.259
  151   3HD2  LEU  18          3HD2      LEU  18  -5.280   7.582  -1.663
  152    H    SER  19           H        SER  19  -1.971   9.168   1.364
  153    HA   SER  19           HA       SER  19   0.109   7.666   0.546
  154   1HB   SER  19          1HB       SER  19   0.243  10.081   0.554
  155   2HB   SER  19          2HB       SER  19   0.254  10.121   2.317
  156    HG   SER  19           HG       SER  19   2.355  10.285   1.736
  157    H    LYS  20           H        LYS  20  -0.774   8.170   3.938
  158    HA   LYS  20           HA       LYS  20   1.484   6.640   4.900
  159   1HB   LYS  20          1HB       LYS  20   0.224   8.596   6.085
  160   2HB   LYS  20          2HB       LYS  20  -0.909   7.342   6.570
  161   1HG   LYS  20          1HG       LYS  20   0.845   6.138   7.707
  162   2HG   LYS  20          2HG       LYS  20   2.050   7.291   7.132
  163   1HD   LYS  20          1HD       LYS  20   1.693   8.200   9.180
  164   2HD   LYS  20          2HD       LYS  20   0.370   8.996   8.325
  165   1HE   LYS  20          1HE       LYS  20  -0.197   6.331   9.483
  166   2HE   LYS  20          2HE       LYS  20   0.038   7.655  10.622
  167   1HZ   LYS  20          1HZ       LYS  20  -1.676   8.905   9.401
  168   2HZ   LYS  20          2HZ       LYS  20  -2.274   7.469  10.067
  169   3HZ   LYS  20          3HZ       LYS  20  -1.944   7.559   8.411
  170    H    HIS  21           H        HIS  21  -1.901   6.094   4.160
  171    HA   HIS  21           HA       HIS  21  -1.994   3.515   5.450
  172   1HB   HIS  21          1HB       HIS  21  -4.101   4.405   5.486
  173   2HB   HIS  21          2HB       HIS  21  -3.892   5.246   3.958
  174    HD1  HIS  21           HD1      HIS  21  -5.883   2.668   5.318
  175    HD2  HIS  21           HD2      HIS  21  -3.788   3.105   1.766
  176    HE1  HIS  21           HE1      HIS  21  -6.967   1.096   3.656
  177    H    ILE  22           H        ILE  22  -1.430   4.713   2.177
  178    HA   ILE  22           HA       ILE  22  -1.796   2.261   0.849
  179    HB   ILE  22           HB       ILE  22  -0.141   3.293  -0.870
  180   1HG1  ILE  22          1HG1      ILE  22  -0.854   5.966  -0.201
  181   2HG1  ILE  22          2HG1      ILE  22  -0.068   5.234   1.192
  182   1HG2  ILE  22          1HG2      ILE  22  -2.066   4.865  -1.600
  183   2HG2  ILE  22          2HG2      ILE  22  -2.921   4.183  -0.217
  184   3HG2  ILE  22          3HG2      ILE  22  -2.361   3.128  -1.514
  185   1HD1  ILE  22          1HD1      ILE  22   1.108   5.138  -1.563
  186   2HD1  ILE  22          2HD1      ILE  22   1.900   4.789  -0.025
  187   3HD1  ILE  22          3HD1      ILE  22   1.432   6.443  -0.422
  188    H    THR  23           H        THR  23   1.163   3.716   2.122
  189    HA   THR  23           HA       THR  23   2.987   1.887   1.202
  190    HB   THR  23           HB       THR  23   3.244   4.029   2.718
  191    HG1  THR  23           HG1      THR  23   5.101   3.327   1.956
  192   1HG2  THR  23          1HG2      THR  23   3.708   1.911   4.792
  193   2HG2  THR  23          2HG2      THR  23   2.247   2.897   4.727
  194   3HG2  THR  23          3HG2      THR  23   3.817   3.663   4.970
  195    H    LEU  24           H        LEU  24   0.664   1.417   3.754
  196    HA   LEU  24           HA       LEU  24   1.825  -1.202   4.421
  197   1HB   LEU  24          1HB       LEU  24   0.183  -1.189   6.291
  198   2HB   LEU  24          2HB       LEU  24   1.322   0.149   6.350
  199    HG   LEU  24           HG       LEU  24  -0.724   1.194   4.898
  200   1HD1  LEU  24          1HD1      LEU  24  -2.732   0.400   5.400
  201   2HD1  LEU  24          2HD1      LEU  24  -2.329   0.197   7.108
  202   3HD1  LEU  24          3HD1      LEU  24  -1.876  -1.046   5.941
  203   1HD2  LEU  24          1HD2      LEU  24   0.539   2.253   6.736
  204   2HD2  LEU  24          2HD2      LEU  24  -0.438   1.348   7.893
  205   3HD2  LEU  24          3HD2      LEU  24  -1.197   2.544   6.841
  206    H    HIS  25           H        HIS  25  -1.197   0.334   3.355
  207    HA   HIS  25           HA       HIS  25  -2.666  -2.067   3.149
  208   1HB   HIS  25          1HB       HIS  25  -4.326  -0.603   2.949
  209   2HB   HIS  25          2HB       HIS  25  -3.196   0.715   2.745
  210    HD1  HIS  25           HD1      HIS  25  -5.101  -1.817   0.653
  211    HD2  HIS  25           HD2      HIS  25  -3.272   1.902   0.320
  212    HE1  HIS  25           HE1      HIS  25  -5.750  -0.901  -1.612
  213    H    GLU  26           H        GLU  26  -0.371  -0.499   1.047
  214    HA   GLU  26           HA       GLU  26  -1.094  -1.821  -1.356
  215   1HB   GLU  26          1HB       GLU  26   1.072  -1.200  -2.185
  216   2HB   GLU  26          2HB       GLU  26   0.474   0.134  -1.212
  217   1HG   GLU  26          1HG       GLU  26   2.382   0.097  -0.098
  218   2HG   GLU  26          2HG       GLU  26   1.927  -1.478   0.549
  219    H    LEU  27           H        LEU  27   0.425  -2.849   1.582
  220    HA   LEU  27           HA       LEU  27   1.387  -5.328   0.304
  221   1HB   LEU  27          1HB       LEU  27   1.899  -4.110   3.011
  222   2HB   LEU  27          2HB       LEU  27   2.369  -5.752   2.614
  223   1HD1  LEU  27          1HD1      LEU  27   4.305  -2.309   1.229
  224   2HD1  LEU  27          2HD1      LEU  27   4.242  -2.740   2.938
  225   3HD1  LEU  27          3HD1      LEU  27   2.761  -2.308   2.084
  226   1HD2  LEU  27          1HD2      LEU  27   5.593  -4.739   1.644
  227   2HD2  LEU  27          2HD2      LEU  27   4.520  -6.132   1.782
  228   3HD2  LEU  27          3HD2      LEU  27   4.753  -5.059   3.162
  229    H    LEU  28           H        LEU  28  -0.072  -4.649   3.494
  230    HA   LEU  28           HA       LEU  28  -1.737  -7.047   3.150
  231   1HB   LEU  28          1HB       LEU  28  -0.106  -6.223   5.254
  232   2HB   LEU  28          2HB       LEU  28  -1.735  -5.896   5.816
  233    HG   LEU  28           HG       LEU  28  -1.363  -8.557   4.608
  234   1HD1  LEU  28          1HD1      LEU  28  -0.240  -9.495   6.551
  235   2HD1  LEU  28          2HD1      LEU  28  -0.054  -7.880   7.239
  236   3HD1  LEU  28          3HD1      LEU  28   0.786  -8.306   5.748
  237   1HD2  LEU  28          1HD2      LEU  28  -2.558  -7.634   7.219
  238   2HD2  LEU  28          2HD2      LEU  28  -2.740  -9.227   6.484
  239   3HD2  LEU  28          3HD2      LEU  28  -3.439  -7.809   5.701
  240    H    GLY  29           H        GLY  29  -3.895  -6.898   3.034
  241   1HA   GLY  29          1HA       GLY  29  -5.107  -4.269   2.982
  242   2HA   GLY  29          2HA       GLY  29  -5.891  -5.790   2.587
  243    H    GLU  30           H        GLU  30  -6.794  -3.528   4.265
  244    HA   GLU  30           HA       GLU  30  -6.772  -4.502   6.980
  245   1HB   GLU  30          1HB       GLU  30  -6.937  -2.037   6.121
  246   2HB   GLU  30          2HB       GLU  30  -8.654  -2.386   5.990
  247   1HG   GLU  30          1HG       GLU  30  -7.069  -2.754   8.519
  248   2HG   GLU  30          2HG       GLU  30  -7.941  -1.276   8.113
  249    H    GLU  31           H        GLU  31  -8.161  -5.888   7.864
  250    HA   GLU  31           HA       GLU  31 -10.275  -7.029   6.292
  251   1HB   GLU  31          1HB       GLU  31  -9.251  -7.508   9.080
  252   2HB   GLU  31          2HB       GLU  31 -10.717  -8.287   8.503
  253   1HG   GLU  31          1HG       GLU  31  -9.420  -9.257   6.638
  254   2HG   GLU  31          2HG       GLU  31  -7.960  -8.548   7.326
  255    H    ARG  32           H        ARG  32 -11.903  -5.594   5.929
  256    HA   ARG  32           HA       ARG  32 -13.001  -3.972   8.047
  257   1HB   ARG  32          1HB       ARG  32 -13.315  -4.195   5.134
  258   2HB   ARG  32          2HB       ARG  32 -14.801  -3.797   5.984
  259   1HG   ARG  32          1HG       ARG  32 -12.270  -2.282   6.505
  260   2HG   ARG  32          2HG       ARG  32 -13.319  -1.883   5.143
  261   1HD   ARG  32          1HD       ARG  32 -15.213  -1.746   6.824
  262   2HD   ARG  32          2HD       ARG  32 -13.975  -1.814   8.078
  263    HE   ARG  32           HE       ARG  32 -13.425   0.359   7.615
  264   1HH1  ARG  32          1HH1      ARG  32 -15.396  -0.870   4.991
  265   2HH1  ARG  32          2HH1      ARG  32 -15.577   0.679   4.241
  266   1HH2  ARG  32          1HH2      ARG  32 -13.672   2.396   6.620
  267   2HH2  ARG  32          2HH2      ARG  32 -14.599   2.531   5.163
  268    H    ARG  33           H        ARG  33 -15.452  -3.958   8.335
  269    HA   ARG  33           HA       ARG  33 -16.408  -6.736   8.574
  270   1HB   ARG  33          1HB       ARG  33 -17.864  -5.719  10.465
  271   2HB   ARG  33          2HB       ARG  33 -16.173  -6.067  10.782
  272   1HG   ARG  33          1HG       ARG  33 -16.559  -3.972  11.741
  273   2HG   ARG  33          2HG       ARG  33 -15.723  -3.627  10.227
  274   1HD   ARG  33          1HD       ARG  33 -17.583  -2.717   9.249
  275   2HD   ARG  33          2HD       ARG  33 -18.696  -3.688  10.209
  276    HE   ARG  33           HE       ARG  33 -17.576  -1.119  10.897
  277   1HH1  ARG  33          1HH1      ARG  33 -19.142  -4.006  12.116
  278   2HH1  ARG  33          2HH1      ARG  33 -19.738  -3.227  13.542
  279   1HH2  ARG  33          1HH2      ARG  33 -18.364  -0.101  12.778
  280   2HH2  ARG  33          2HH2      ARG  33 -19.297  -1.011  13.919
  Start of MODEL    7
    1    H    TYR   1           H        TYR   1 -13.723  14.367   1.914
    2    HA   TYR   1           HA       TYR   1 -12.780  12.480   0.868
    3   1HB   TYR   1          1HB       TYR   1 -15.758  12.801   1.021
    4   2HB   TYR   1          2HB       TYR   1 -15.086  11.276   0.457
    5    HD1  TYR   1           HD1      TYR   1 -13.476  10.038   1.986
    6    HD2  TYR   1           HD2      TYR   1 -15.878  13.288   3.315
    7    HE1  TYR   1           HE1      TYR   1 -13.158   9.313   4.313
    8    HE2  TYR   1           HE2      TYR   1 -15.567  12.572   5.646
    9    HH   TYR   1           HH       TYR   1 -13.476  11.018   6.834
   10    H    LYS   2           H        LYS   2 -11.667  12.720  -1.064
   11    HA   LYS   2           HA       LYS   2 -13.042  11.828  -3.416
   12   1HB   LYS   2          1HB       LYS   2 -13.340  14.431  -3.183
   13   2HB   LYS   2          2HB       LYS   2 -11.690  14.474  -3.786
   14   1HG   LYS   2          1HG       LYS   2 -12.366  13.275  -5.787
   15   2HG   LYS   2          2HG       LYS   2 -14.017  13.159  -5.174
   16   1HD   LYS   2          1HD       LYS   2 -14.138  14.977  -6.607
   17   2HD   LYS   2          2HD       LYS   2 -13.888  15.743  -5.037
   18   1HE   LYS   2          1HE       LYS   2 -11.566  16.083  -5.496
   19   2HE   LYS   2          2HE       LYS   2 -11.659  15.106  -6.961
   20   1HZ   LYS   2          1HZ       LYS   2 -11.650  17.489  -7.435
   21   2HZ   LYS   2          2HZ       LYS   2 -13.073  17.684  -6.541
   22   3HZ   LYS   2          3HZ       LYS   2 -13.085  16.759  -7.958
   23    H    PHE   3           H        PHE   3 -11.012  10.592  -2.077
   24    HA   PHE   3           HA       PHE   3  -8.973  10.494  -4.120
   25   1HB   PHE   3          1HB       PHE   3  -8.174  12.269  -2.531
   26   2HB   PHE   3          2HB       PHE   3  -8.118  11.043  -1.272
   27    HD1  PHE   3           HD1      PHE   3  -7.171  10.422  -4.787
   28    HD2  PHE   3           HD2      PHE   3  -5.795  11.183  -0.834
   29    HE1  PHE   3           HE1      PHE   3  -4.891   9.794  -5.462
   30    HE2  PHE   3           HE2      PHE   3  -3.511  10.548  -1.499
   31    HZ   PHE   3           HZ       PHE   3  -3.058   9.858  -3.819
   32    H    ALA   4           H        ALA   4  -8.623   8.427  -4.515
   33    HA   ALA   4           HA       ALA   4  -8.873   6.501  -2.330
   34   1HB   ALA   4          1HB       ALA   4  -9.595   6.091  -5.223
   35   2HB   ALA   4          2HB       ALA   4 -10.729   6.277  -3.885
   36   3HB   ALA   4          3HB       ALA   4  -9.678   4.862  -3.961
   37    H    CYS   5           H        CYS   5  -7.362   4.873  -2.164
   38    HA   CYS   5           HA       CYS   5  -4.765   5.383  -3.079
   39   1HB   CYS   5          1HB       CYS   5  -5.824   2.702  -2.173
   40   2HB   CYS   5          2HB       CYS   5  -4.160   3.270  -2.100
   41    HG   CYS   5           HG       CYS   5  -6.021   3.530   0.110
   42    HA   PRO   6           HA       PRO   6  -4.486   3.640  -7.124
   43   1HB   PRO   6          1HB       PRO   6  -2.059   2.366  -7.008
   44   2HB   PRO   6          2HB       PRO   6  -2.252   4.109  -7.207
   45   1HG   PRO   6          1HG       PRO   6  -1.655   2.538  -4.733
   46   2HG   PRO   6          2HG       PRO   6  -0.971   4.082  -5.274
   47   1HD   PRO   6          1HD       PRO   6  -2.875   3.949  -3.378
   48   2HD   PRO   6          2HD       PRO   6  -2.795   5.292  -4.535
   49    H    GLU   7           H        GLU   7  -4.469   1.607  -4.336
   50    HA   GLU   7           HA       GLU   7  -4.810  -0.793  -5.996
   51   1HB   GLU   7          1HB       GLU   7  -3.687  -0.301  -3.306
   52   2HB   GLU   7          2HB       GLU   7  -4.640  -1.768  -3.477
   53   1HG   GLU   7          1HG       GLU   7  -2.209  -2.083  -3.839
   54   2HG   GLU   7          2HG       GLU   7  -3.209  -2.586  -5.200
   55    H    CYS   8           H        CYS   8  -6.210   0.806  -3.103
   56    HA   CYS   8           HA       CYS   8  -8.674  -0.722  -3.586
   57   1HB   CYS   8          1HB       CYS   8  -9.314  -0.237  -1.309
   58   2HB   CYS   8          2HB       CYS   8  -7.738  -0.973  -1.348
   59    HG   CYS   8           HG       CYS   8  -7.947   2.101  -0.992
   60    HA   PRO   9           HA       PRO   9 -11.035   2.820  -4.547
   61   1HB   PRO   9          1HB       PRO   9 -13.477   1.937  -3.932
   62   2HB   PRO   9          2HB       PRO   9 -12.516   1.156  -5.193
   63   1HG   PRO   9          1HG       PRO   9 -13.017   0.286  -2.379
   64   2HG   PRO   9          2HG       PRO   9 -12.914  -0.691  -3.854
   65   1HD   PRO   9          1HD       PRO   9 -10.847  -0.327  -2.003
   66   2HD   PRO   9          2HD       PRO   9 -10.651  -0.911  -3.660
   67    H    LYS  10           H        LYS  10 -10.452   2.065  -1.329
   68    HA   LYS  10           HA       LYS  10 -12.357   3.407   0.150
   69   1HB   LYS  10          1HB       LYS  10  -9.462   2.807   0.566
   70   2HB   LYS  10          2HB       LYS  10 -10.262   3.903   1.685
   71   1HG   LYS  10          1HG       LYS  10 -11.600   1.320   1.097
   72   2HG   LYS  10          2HG       LYS  10 -10.146   1.289   2.097
   73   1HD   LYS  10          1HD       LYS  10 -11.726   3.415   3.052
   74   2HD   LYS  10          2HD       LYS  10 -12.820   2.053   2.804
   75   1HE   LYS  10          1HE       LYS  10 -10.212   1.779   4.275
   76   2HE   LYS  10          2HE       LYS  10 -11.705   2.249   5.086
   77   1HZ   LYS  10          1HZ       LYS  10 -11.231  -0.280   3.600
   78   2HZ   LYS  10          2HZ       LYS  10 -12.712   0.176   4.277
   79   3HZ   LYS  10          3HZ       LYS  10 -11.379  -0.110   5.277
   80    H    ARG  11           H        ARG  11 -12.962   5.442   0.329
   81    HA   ARG  11           HA       ARG  11 -11.319   7.533  -0.889
   82   1HB   ARG  11          1HB       ARG  11 -13.396   8.946  -0.576
   83   2HB   ARG  11          2HB       ARG  11 -13.548   7.602  -1.698
   84   1HG   ARG  11          1HG       ARG  11 -15.090   6.556  -0.439
   85   2HG   ARG  11          2HG       ARG  11 -14.316   7.010   1.080
   86   1HD   ARG  11          1HD       ARG  11 -16.369   8.152   1.071
   87   2HD   ARG  11          2HD       ARG  11 -15.166   9.364   0.630
   88    HE   ARG  11           HE       ARG  11 -16.121   8.303  -1.742
   89   1HH1  ARG  11          1HH1      ARG  11 -17.428  10.079   0.979
   90   2HH1  ARG  11          2HH1      ARG  11 -18.670  10.840   0.041
   91   1HH2  ARG  11          1HH2      ARG  11 -17.759   9.308  -2.969
   92   2HH2  ARG  11          2HH2      ARG  11 -18.858  10.402  -2.200
   93    H    PHE  12           H        PHE  12 -10.013   8.666   0.369
   94    HA   PHE  12           HA       PHE  12 -10.544   8.797   3.250
   95   1HB   PHE  12          1HB       PHE  12  -8.069   9.626   1.728
   96   2HB   PHE  12          2HB       PHE  12  -8.230   9.556   3.472
   97    HD1  PHE  12           HD1      PHE  12  -7.030   7.861   4.404
   98    HD2  PHE  12           HD2      PHE  12  -8.919   7.168   0.653
   99    HE1  PHE  12           HE1      PHE  12  -6.155   5.564   4.391
  100    HE2  PHE  12           HE2      PHE  12  -8.053   4.868   0.638
  101    HZ   PHE  12           HZ       PHE  12  -6.655   4.055   2.506
  102    H    MET  13           H        MET  13  -9.341  11.072   4.047
  103    HA   MET  13           HA       MET  13 -11.096  13.130   2.935
  104   1HB   MET  13          1HB       MET  13  -9.663  12.797   5.544
  105   2HB   MET  13          2HB       MET  13 -10.210  14.389   5.038
  106   1HG   MET  13          1HG       MET  13 -12.437  12.862   4.633
  107   2HG   MET  13          2HG       MET  13 -11.724  12.116   6.063
  108   1HE   MET  13          1HE       MET  13 -14.422  14.879   5.297
  109   2HE   MET  13          2HE       MET  13 -12.981  15.113   4.308
  110   3HE   MET  13          3HE       MET  13 -13.406  16.299   5.542
  111    H    ARG  14           H        ARG  14  -7.663  12.485   3.517
  112    HA   ARG  14           HA       ARG  14  -7.017  14.734   1.738
  113   1HB   ARG  14          1HB       ARG  14  -5.728  14.164   4.409
  114   2HB   ARG  14          2HB       ARG  14  -5.051  15.257   3.213
  115   1HG   ARG  14          1HG       ARG  14  -6.167  16.800   4.407
  116   2HG   ARG  14          2HG       ARG  14  -7.523  16.281   3.403
  117   1HD   ARG  14          1HD       ARG  14  -8.615  15.785   5.277
  118   2HD   ARG  14          2HD       ARG  14  -7.462  14.476   5.525
  119    HE   ARG  14           HE       ARG  14  -6.431  15.717   7.160
  120   1HH1  ARG  14          1HH1      ARG  14  -8.682  17.764   5.424
  121   2HH1  ARG  14          2HH1      ARG  14  -8.561  19.066   6.556
  122   1HH2  ARG  14          1HH2      ARG  14  -6.275  17.436   8.647
  123   2HH2  ARG  14          2HH2      ARG  14  -7.195  18.881   8.386
  124    H    SER  15           H        SER  15  -4.859  14.617   0.795
  125    HA   SER  15           HA       SER  15  -4.297  12.140  -0.346
  126   1HB   SER  15          1HB       SER  15  -3.581  14.494  -1.115
  127   2HB   SER  15          2HB       SER  15  -2.203  14.283  -0.035
  128    HG   SER  15           HG       SER  15  -1.421  12.728  -1.301
  129    H    ASP  16           H        ASP  16  -2.761  13.741   2.429
  130    HA   ASP  16           HA       ASP  16  -0.734  11.830   2.834
  131   1HB   ASP  16          1HB       ASP  16  -0.761  12.733   5.238
  132   2HB   ASP  16          2HB       ASP  16  -0.393  13.864   3.943
  133    H    HIS  17           H        HIS  17  -4.101  11.922   3.868
  134    HA   HIS  17           HA       HIS  17  -4.059   9.949   5.840
  135   1HB   HIS  17          1HB       HIS  17  -6.184  10.768   3.864
  136   2HB   HIS  17          2HB       HIS  17  -6.460   9.485   5.033
  137    HD1  HIS  17           HD1      HIS  17  -8.371  11.102   5.956
  138    HD2  HIS  17           HD2      HIS  17  -4.469  12.424   6.485
  139    HE1  HIS  17           HE1      HIS  17  -8.507  12.924   7.681
  140    HE2  HIS  17           HE2      HIS  17  -6.119  13.623   8.072
  141    H    LEU  18           H        LEU  18  -3.896   9.695   2.355
  142    HA   LEU  18           HA       LEU  18  -4.185   6.795   2.391
  143   1HB   LEU  18          1HB       LEU  18  -3.558   8.675   0.123
  144   2HB   LEU  18          2HB       LEU  18  -3.849   6.958  -0.040
  145    HG   LEU  18           HG       LEU  18  -6.162   7.411   0.920
  146   1HD1  LEU  18          1HD1      LEU  18  -6.816   9.856   0.247
  147   2HD1  LEU  18          2HD1      LEU  18  -5.112  10.171   0.572
  148   3HD1  LEU  18          3HD1      LEU  18  -6.140   9.509   1.840
  149   1HD2  LEU  18          1HD2      LEU  18  -5.115   8.159  -1.749
  150   2HD2  LEU  18          2HD2      LEU  18  -6.798   8.540  -1.382
  151   3HD2  LEU  18          3HD2      LEU  18  -6.232   6.872  -1.291
  152    H    SER  19           H        SER  19  -1.785   9.225   1.394
  153    HA   SER  19           HA       SER  19   0.300   7.728   0.612
  154   1HB   SER  19          1HB       SER  19   0.439  10.150   0.677
  155   2HB   SER  19          2HB       SER  19   0.445  10.139   2.441
  156    HG   SER  19           HG       SER  19   2.551  10.358   1.463
  157    H    LYS  20           H        LYS  20  -0.643   8.191   3.992
  158    HA   LYS  20           HA       LYS  20   1.567   6.614   4.986
  159   1HB   LYS  20          1HB       LYS  20  -0.239   8.470   6.088
  160   2HB   LYS  20          2HB       LYS  20  -0.595   6.940   6.877
  161   1HG   LYS  20          1HG       LYS  20   2.171   8.107   6.693
  162   2HG   LYS  20          2HG       LYS  20   1.075   8.386   8.047
  163   1HD   LYS  20          1HD       LYS  20   1.839   5.625   7.129
  164   2HD   LYS  20          2HD       LYS  20   2.783   6.522   8.321
  165   1HE   LYS  20          1HE       LYS  20   1.402   5.792   9.901
  166   2HE   LYS  20          2HE       LYS  20   0.098   6.700   9.140
  167   1HZ   LYS  20          1HZ       LYS  20  -0.442   4.344   9.427
  168   2HZ   LYS  20          2HZ       LYS  20   0.865   3.915   8.444
  169   3HZ   LYS  20          3HZ       LYS  20  -0.432   4.786   7.795
  170    H    HIS  21           H        HIS  21  -1.835   6.158   4.231
  171    HA   HIS  21           HA       HIS  21  -2.007   3.547   5.418
  172   1HB   HIS  21          1HB       HIS  21  -4.087   4.512   5.404
  173   2HB   HIS  21          2HB       HIS  21  -3.815   5.339   3.879
  174    HD1  HIS  21           HD1      HIS  21  -5.934   2.848   5.178
  175    HD2  HIS  21           HD2      HIS  21  -3.672   3.152   1.714
  176    HE1  HIS  21           HE1      HIS  21  -6.983   1.266   3.505
  177    H    ILE  22           H        ILE  22  -1.369   4.792   2.165
  178    HA   ILE  22           HA       ILE  22  -1.734   2.351   0.817
  179    HB   ILE  22           HB       ILE  22  -0.058   3.407  -0.883
  180   1HG1  ILE  22          1HG1      ILE  22  -0.875   6.062  -0.158
  181   2HG1  ILE  22          2HG1      ILE  22   0.003   5.318   1.175
  182   1HG2  ILE  22          1HG2      ILE  22  -2.079   5.044  -1.482
  183   2HG2  ILE  22          2HG2      ILE  22  -2.888   4.036  -0.282
  184   3HG2  ILE  22          3HG2      ILE  22  -2.167   3.297  -1.713
  185   1HD1  ILE  22          1HD1      ILE  22   1.413   6.615  -0.415
  186   2HD1  ILE  22          2HD1      ILE  22   1.032   5.408  -1.642
  187   3HD1  ILE  22          3HD1      ILE  22   1.914   4.940  -0.188
  188    H    THR  23           H        THR  23   1.221   3.797   2.120
  189    HA   THR  23           HA       THR  23   3.030   1.939   1.186
  190    HB   THR  23           HB       THR  23   3.087   3.274   3.903
  191    HG1  THR  23           HG1      THR  23   3.935   4.142   1.346
  192   1HG2  THR  23          1HG2      THR  23   4.799   1.625   3.868
  193   2HG2  THR  23          2HG2      THR  23   5.556   3.193   3.594
  194   3HG2  THR  23          3HG2      THR  23   5.295   2.092   2.241
  195    H    LEU  24           H        LEU  24   0.667   1.503   3.706
  196    HA   LEU  24           HA       LEU  24   1.829  -1.106   4.408
  197   1HB   LEU  24          1HB       LEU  24   0.191  -1.095   6.274
  198   2HB   LEU  24          2HB       LEU  24   1.321   0.249   6.333
  199    HG   LEU  24           HG       LEU  24  -0.724   1.309   4.906
  200   1HD1  LEU  24          1HD1      LEU  24  -2.352   0.258   7.066
  201   2HD1  LEU  24          2HD1      LEU  24  -1.862  -0.974   5.904
  202   3HD1  LEU  24          3HD1      LEU  24  -2.726   0.464   5.352
  203   1HD2  LEU  24          1HD2      LEU  24  -0.532   1.390   7.908
  204   2HD2  LEU  24          2HD2      LEU  24  -1.193   2.631   6.844
  205   3HD2  LEU  24          3HD2      LEU  24   0.535   2.282   6.822
  206    H    HIS  25           H        HIS  25  -1.189   0.426   3.322
  207    HA   HIS  25           HA       HIS  25  -2.654  -1.977   3.079
  208   1HB   HIS  25          1HB       HIS  25  -4.303  -0.486   2.865
  209   2HB   HIS  25          2HB       HIS  25  -3.160   0.817   2.645
  210    HD1  HIS  25           HD1      HIS  25  -5.104  -1.716   0.600
  211    HD2  HIS  25           HD2      HIS  25  -3.161   1.939   0.183
  212    HE1  HIS  25           HE1      HIS  25  -5.715  -0.839  -1.690
  213    H    GLU  26           H        GLU  26  -0.337  -0.386   1.027
  214    HA   GLU  26           HA       GLU  26  -0.984  -1.785  -1.378
  215   1HB   GLU  26          1HB       GLU  26   0.314   0.204  -1.604
  216   2HB   GLU  26          2HB       GLU  26   1.483  -0.335  -0.409
  217   1HG   GLU  26          1HG       GLU  26   2.580  -0.562  -2.443
  218   2HG   GLU  26          2HG       GLU  26   2.059  -2.196  -2.047
  219    H    LEU  27           H        LEU  27   0.682  -2.565   1.569
  220    HA   LEU  27           HA       LEU  27   1.765  -5.024   0.342
  221   1HB   LEU  27          1HB       LEU  27   2.486  -3.586   2.893
  222   2HB   LEU  27          2HB       LEU  27   3.088  -5.182   2.490
  223   1HD1  LEU  27          1HD1      LEU  27   5.264  -4.133  -0.270
  224   2HD1  LEU  27          2HD1      LEU  27   3.569  -4.465  -0.626
  225   3HD1  LEU  27          3HD1      LEU  27   4.459  -5.510   0.481
  226   1HD2  LEU  27          1HD2      LEU  27   3.347  -2.231  -0.231
  227   2HD2  LEU  27          2HD2      LEU  27   4.377  -1.542   1.023
  228   3HD2  LEU  27          3HD2      LEU  27   2.674  -1.865   1.359
  229    H    LEU  28           H        LEU  28   0.760  -4.300   3.683
  230    HA   LEU  28           HA       LEU  28  -0.542  -6.886   3.851
  231   1HB   LEU  28          1HB       LEU  28  -0.881  -6.304   6.227
  232   2HB   LEU  28          2HB       LEU  28   0.797  -6.217   5.730
  233    HG   LEU  28           HG       LEU  28  -0.562  -3.645   5.508
  234   1HD1  LEU  28          1HD1      LEU  28  -1.832  -4.482   7.404
  235   2HD1  LEU  28          2HD1      LEU  28  -0.706  -3.223   7.912
  236   3HD1  LEU  28          3HD1      LEU  28  -0.336  -4.918   8.231
  237   1HD2  LEU  28          1HD2      LEU  28   1.885  -4.038   5.382
  238   2HD2  LEU  28          2HD2      LEU  28   1.862  -4.503   7.081
  239   3HD2  LEU  28          3HD2      LEU  28   1.426  -2.861   6.612
  240    H    GLY  29           H        GLY  29  -2.709  -7.266   4.086
  241   1HA   GLY  29          1HA       GLY  29  -4.474  -4.962   3.546
  242   2HA   GLY  29          2HA       GLY  29  -4.815  -6.621   3.080
  243    H    GLU  30           H        GLU  30  -5.242  -4.220   5.447
  244    HA   GLU  30           HA       GLU  30  -6.067  -6.116   7.511
  245   1HB   GLU  30          1HB       GLU  30  -4.713  -3.974   7.955
  246   2HB   GLU  30          2HB       GLU  30  -6.226  -3.114   7.706
  247   1HG   GLU  30          1HG       GLU  30  -7.188  -3.977   9.618
  248   2HG   GLU  30          2HG       GLU  30  -6.097  -5.361   9.668
  249    H    GLU  31           H        GLU  31  -8.162  -6.143   8.411
  250    HA   GLU  31           HA       GLU  31 -10.248  -5.432   6.499
  251   1HB   GLU  31          1HB       GLU  31 -10.179  -7.207   8.932
  252   2HB   GLU  31          2HB       GLU  31 -11.694  -6.760   8.160
  253   1HG   GLU  31          1HG       GLU  31 -11.153  -8.837   7.254
  254   2HG   GLU  31          2HG       GLU  31 -10.690  -7.675   6.012
  255    H    ARG  32           H        ARG  32  -9.961  -3.124   6.960
  256    HA   ARG  32           HA       ARG  32 -11.158  -2.269   9.504
  257   1HB   ARG  32          1HB       ARG  32  -9.436  -0.811   7.500
  258   2HB   ARG  32          2HB       ARG  32 -10.268   0.008   8.817
  259   1HG   ARG  32          1HG       ARG  32  -8.394  -2.282   9.308
  260   2HG   ARG  32          2HG       ARG  32  -7.827  -0.616   9.173
  261   1HD   ARG  32          1HD       ARG  32  -8.821   0.027  11.133
  262   2HD   ARG  32          2HD       ARG  32 -10.095  -1.186  11.011
  263    HE   ARG  32           HE       ARG  32  -7.751  -2.584  11.403
  264   1HH1  ARG  32          1HH1      ARG  32  -9.585  -0.169  13.153
  265   2HH1  ARG  32          2HH1      ARG  32  -9.053  -0.715  14.707
  266   1HH2  ARG  32          1HH2      ARG  32  -7.051  -3.298  13.452
  267   2HH2  ARG  32          2HH2      ARG  32  -7.614  -2.490  14.878
  268    H    ARG  33           H        ARG  33 -12.921  -0.893   9.565
  269    HA   ARG  33           HA       ARG  33 -14.370  -0.589   7.015
  270   1HB   ARG  33          1HB       ARG  33 -15.361  -1.086   9.815
  271   2HB   ARG  33          2HB       ARG  33 -16.418  -0.455   8.561
  272   1HG   ARG  33          1HG       ARG  33 -16.682  -2.459   7.635
  273   2HG   ARG  33          2HG       ARG  33 -14.952  -2.799   7.682
  274   1HD   ARG  33          1HD       ARG  33 -15.407  -3.117  10.248
  275   2HD   ARG  33          2HD       ARG  33 -17.064  -3.384   9.706
  276    HE   ARG  33           HE       ARG  33 -15.139  -4.940   8.255
  277   1HH1  ARG  33          1HH1      ARG  33 -17.078  -4.829  11.170
  278   2HH1  ARG  33          2HH1      ARG  33 -17.087  -6.549  11.373
  279   1HH2  ARG  33          1HH2      ARG  33 -15.159  -7.201   8.527
  280   2HH2  ARG  33          2HH2      ARG  33 -15.998  -7.895   9.874
  Start of MODEL    8
    1    H    TYR   1           H        TYR   1 -14.692  13.641   1.950
    2    HA   TYR   1           HA       TYR   1 -12.433  11.763   1.829
    3   1HB   TYR   1          1HB       TYR   1 -14.538  10.291   1.032
    4   2HB   TYR   1          2HB       TYR   1 -13.983  10.333   2.697
    5    HD1  TYR   1           HD1      TYR   1 -15.333  11.282   4.425
    6    HD2  TYR   1           HD2      TYR   1 -16.550  11.585   0.358
    7    HE1  TYR   1           HE1      TYR   1 -17.559  12.027   5.153
    8    HE2  TYR   1           HE2      TYR   1 -18.779  12.331   1.076
    9    HH   TYR   1           HH       TYR   1 -20.095  11.877   3.770
   10    H    LYS   2           H        LYS   2 -11.444  12.419   0.013
   11    HA   LYS   2           HA       LYS   2 -12.900  12.187  -2.476
   12   1HB   LYS   2          1HB       LYS   2 -12.942  14.656  -1.490
   13   2HB   LYS   2          2HB       LYS   2 -11.344  14.718  -2.219
   14   1HG   LYS   2          1HG       LYS   2 -12.161  14.550  -4.358
   15   2HG   LYS   2          2HG       LYS   2 -13.639  13.733  -3.844
   16   1HD   LYS   2          1HD       LYS   2 -14.419  15.840  -4.391
   17   2HD   LYS   2          2HD       LYS   2 -14.154  15.990  -2.653
   18   1HE   LYS   2          1HE       LYS   2 -11.877  16.919  -3.197
   19   2HE   LYS   2          2HE       LYS   2 -12.387  16.976  -4.884
   20   1HZ   LYS   2          1HZ       LYS   2 -14.193  18.450  -4.252
   21   2HZ   LYS   2          2HZ       LYS   2 -12.704  19.104  -3.789
   22   3HZ   LYS   2          3HZ       LYS   2 -13.710  18.390  -2.631
   23    H    PHE   3           H        PHE   3 -10.761  10.705  -1.232
   24    HA   PHE   3           HA       PHE   3  -8.861  10.803  -3.420
   25   1HB   PHE   3          1HB       PHE   3  -8.085  12.297  -1.397
   26   2HB   PHE   3          2HB       PHE   3  -7.667  10.748  -0.671
   27    HD1  PHE   3           HD1      PHE   3  -7.186  12.661  -3.838
   28    HD2  PHE   3           HD2      PHE   3  -5.567   9.887  -1.050
   29    HE1  PHE   3           HE1      PHE   3  -5.058  12.660  -5.074
   30    HE2  PHE   3           HE2      PHE   3  -3.439   9.874  -2.281
   31    HZ   PHE   3           HZ       PHE   3  -3.182  11.267  -4.297
   32    H    ALA   4           H        ALA   4  -8.610   8.784  -4.094
   33    HA   ALA   4           HA       ALA   4  -8.896   6.607  -2.163
   34   1HB   ALA   4          1HB       ALA   4  -9.678   5.206  -4.026
   35   2HB   ALA   4          2HB       ALA   4  -9.559   6.601  -5.099
   36   3HB   ALA   4          3HB       ALA   4 -10.712   6.611  -3.766
   37    H    CYS   5           H        CYS   5  -7.335   5.072  -2.024
   38    HA   CYS   5           HA       CYS   5  -4.746   5.607  -2.935
   39   1HB   CYS   5          1HB       CYS   5  -5.782   2.880  -2.154
   40   2HB   CYS   5          2HB       CYS   5  -4.132   3.475  -2.028
   41    HG   CYS   5           HG       CYS   5  -6.414   4.067  -0.054
   42    HA   PRO   6           HA       PRO   6  -4.586   4.019  -7.057
   43   1HB   PRO   6          1HB       PRO   6  -2.074   2.917  -7.086
   44   2HB   PRO   6          2HB       PRO   6  -2.395   4.646  -7.237
   45   1HG   PRO   6          1HG       PRO   6  -1.542   3.079  -4.845
   46   2HG   PRO   6          2HG       PRO   6  -1.030   4.691  -5.371
   47   1HD   PRO   6          1HD       PRO   6  -2.820   4.304  -3.378
   48   2HD   PRO   6          2HD       PRO   6  -2.878   5.714  -4.454
   49    H    GLU   7           H        GLU   7  -4.223   1.981  -4.292
   50    HA   GLU   7           HA       GLU   7  -4.429  -0.462  -5.880
   51   1HB   GLU   7          1HB       GLU   7  -3.799   0.075  -2.986
   52   2HB   GLU   7          2HB       GLU   7  -4.165  -1.539  -3.573
   53   1HG   GLU   7          1HG       GLU   7  -1.843  -1.436  -3.571
   54   2HG   GLU   7          2HG       GLU   7  -2.286  -1.169  -5.255
   55    H    CYS   8           H        CYS   8  -6.043   1.041  -3.033
   56    HA   CYS   8           HA       CYS   8  -8.416  -0.571  -3.675
   57   1HB   CYS   8          1HB       CYS   8  -9.184  -0.213  -1.419
   58   2HB   CYS   8          2HB       CYS   8  -7.569  -0.858  -1.400
   59    HG   CYS   8           HG       CYS   8  -8.023   2.177  -0.910
   60    HA   PRO   9           HA       PRO   9 -10.879   2.909  -4.624
   61   1HB   PRO   9          1HB       PRO   9 -13.301   1.873  -4.217
   62   2HB   PRO   9          2HB       PRO   9 -12.218   1.196  -5.439
   63   1HG   PRO   9          1HG       PRO   9 -12.855   0.182  -2.700
   64   2HG   PRO   9          2HG       PRO   9 -12.606  -0.726  -4.202
   65   1HD   PRO   9          1HD       PRO   9 -10.684  -0.331  -2.204
   66   2HD   PRO   9          2HD       PRO   9 -10.354  -0.844  -3.863
   67    H    LYS  10           H        LYS  10 -10.318   2.167  -1.454
   68    HA   LYS  10           HA       LYS  10 -12.474   3.409  -0.111
   69   1HB   LYS  10          1HB       LYS  10 -10.174   1.986   0.617
   70   2HB   LYS  10          2HB       LYS  10  -9.988   3.570   1.359
   71   1HG   LYS  10          1HG       LYS  10 -12.526   2.000   1.637
   72   2HG   LYS  10          2HG       LYS  10 -11.148   1.735   2.707
   73   1HD   LYS  10          1HD       LYS  10 -12.286   4.479   2.260
   74   2HD   LYS  10          2HD       LYS  10 -12.967   3.384   3.464
   75   1HE   LYS  10          1HE       LYS  10 -10.028   3.960   3.415
   76   2HE   LYS  10          2HE       LYS  10 -11.148   5.085   4.182
   77   1HZ   LYS  10          1HZ       LYS  10 -10.783   2.220   4.879
   78   2HZ   LYS  10          2HZ       LYS  10 -11.934   3.245   5.577
   79   3HZ   LYS  10          3HZ       LYS  10 -10.285   3.549   5.799
   80    H    ARG  11           H        ARG  11 -12.930   5.464   0.225
   81    HA   ARG  11           HA       ARG  11 -10.956   7.496  -0.529
   82   1HB   ARG  11          1HB       ARG  11 -12.846   9.058  -0.653
   83   2HB   ARG  11          2HB       ARG  11 -13.098   7.664  -1.690
   84   1HG   ARG  11          1HG       ARG  11 -14.456   6.711   0.279
   85   2HG   ARG  11          2HG       ARG  11 -14.462   8.370   0.879
   86   1HD   ARG  11          1HD       ARG  11 -15.509   7.403  -1.780
   87   2HD   ARG  11          2HD       ARG  11 -16.469   7.955  -0.408
   88    HE   ARG  11           HE       ARG  11 -14.984  10.113  -0.894
   89   1HH1  ARG  11          1HH1      ARG  11 -16.772   8.059  -3.099
   90   2HH1  ARG  11          2HH1      ARG  11 -17.067   9.332  -4.235
   91   1HH2  ARG  11          1HH2      ARG  11 -15.376  11.781  -2.396
   92   2HH2  ARG  11          2HH2      ARG  11 -16.274  11.443  -3.837
   93    H    PHE  12           H        PHE  12  -9.888   8.501   1.025
   94    HA   PHE  12           HA       PHE  12 -10.798   8.254   3.781
   95   1HB   PHE  12          1HB       PHE  12  -8.204   9.364   2.681
   96   2HB   PHE  12          2HB       PHE  12  -8.565   9.120   4.381
   97    HD1  PHE  12           HD1      PHE  12  -7.226   7.447   5.193
   98    HD2  PHE  12           HD2      PHE  12  -9.023   6.933   1.369
   99    HE1  PHE  12           HE1      PHE  12  -6.296   5.175   5.058
  100    HE2  PHE  12           HE2      PHE  12  -8.098   4.667   1.233
  101    HZ   PHE  12           HZ       PHE  12  -6.734   3.778   3.077
  102    H    MET  13           H        MET  13  -8.936  11.028   2.688
  103    HA   MET  13           HA       MET  13 -11.146  12.849   2.673
  104   1HB   MET  13          1HB       MET  13 -10.290  12.267   5.182
  105   2HB   MET  13          2HB       MET  13  -9.225  13.609   4.788
  106   1HG   MET  13          1HG       MET  13 -11.509  14.703   4.015
  107   2HG   MET  13          2HG       MET  13 -12.159  13.561   5.188
  108   1HE   MET  13          1HE       MET  13 -11.312  16.868   4.561
  109   2HE   MET  13          2HE       MET  13  -9.580  16.724   4.858
  110   3HE   MET  13          3HE       MET  13 -10.600  17.599   5.999
  111    H    ARG  14           H        ARG  14  -7.638  12.657   3.241
  112    HA   ARG  14           HA       ARG  14  -7.244  14.696   1.145
  113   1HB   ARG  14          1HB       ARG  14  -5.747  14.294   3.738
  114   2HB   ARG  14          2HB       ARG  14  -5.136  15.291   2.426
  115   1HG   ARG  14          1HG       ARG  14  -6.482  16.995   2.941
  116   2HG   ARG  14          2HG       ARG  14  -7.873  15.941   3.209
  117   1HD   ARG  14          1HD       ARG  14  -7.615  16.476   5.369
  118   2HD   ARG  14          2HD       ARG  14  -6.283  15.325   5.337
  119    HE   ARG  14           HE       ARG  14  -5.177  17.699   4.541
  120   1HH1  ARG  14          1HH1      ARG  14  -6.933  16.606   7.367
  121   2HH1  ARG  14          2HH1      ARG  14  -6.146  17.718   8.435
  122   1HH2  ARG  14          1HH2      ARG  14  -4.142  19.157   5.952
  123   2HH2  ARG  14          2HH2      ARG  14  -4.560  19.166   7.633
  124    H    SER  15           H        SER  15  -4.714  14.597   0.531
  125    HA   SER  15           HA       SER  15  -4.371  12.063  -0.726
  126   1HB   SER  15          1HB       SER  15  -2.154  13.082  -1.450
  127   2HB   SER  15          2HB       SER  15  -3.602  13.956  -1.943
  128    HG   SER  15           HG       SER  15  -1.625  14.657  -0.117
  129    H    ASP  16           H        ASP  16  -2.707  13.734   1.935
  130    HA   ASP  16           HA       ASP  16  -0.743  11.752   2.365
  131   1HB   ASP  16          1HB       ASP  16  -0.393  12.837   4.549
  132   2HB   ASP  16          2HB       ASP  16  -0.474  14.007   3.237
  133    H    HIS  17           H        HIS  17  -4.057  12.071   3.482
  134    HA   HIS  17           HA       HIS  17  -4.089  10.331   5.641
  135   1HB   HIS  17          1HB       HIS  17  -6.141  11.012   3.552
  136   2HB   HIS  17          2HB       HIS  17  -6.494   9.817   4.797
  137    HD1  HIS  17           HD1      HIS  17  -8.342  11.406   5.732
  138    HD2  HIS  17           HD2      HIS  17  -4.485  12.938   5.921
  139    HE1  HIS  17           HE1      HIS  17  -8.477  13.382   7.281
  140    HE2  HIS  17           HE2      HIS  17  -6.147  14.336   7.322
  141    H    LEU  18           H        LEU  18  -4.016   9.630   2.204
  142    HA   LEU  18           HA       LEU  18  -4.277   6.757   2.662
  143   1HB   LEU  18          1HB       LEU  18  -3.901   8.314   0.116
  144   2HB   LEU  18          2HB       LEU  18  -4.149   6.588   0.208
  145    HG   LEU  18           HG       LEU  18  -6.403   6.951   1.087
  146   1HD1  LEU  18          1HD1      LEU  18  -7.287   9.343   0.820
  147   2HD1  LEU  18          2HD1      LEU  18  -5.594   9.828   0.906
  148   3HD1  LEU  18          3HD1      LEU  18  -6.334   8.972   2.257
  149   1HD2  LEU  18          1HD2      LEU  18  -5.427   7.533  -1.501
  150   2HD2  LEU  18          2HD2      LEU  18  -6.769   8.626  -1.165
  151   3HD2  LEU  18          3HD2      LEU  18  -7.001   6.882  -1.039
  152    H    SER  19           H        SER  19  -1.968   9.129   1.402
  153    HA   SER  19           HA       SER  19   0.090   7.640   0.492
  154   1HB   SER  19          1HB       SER  19   0.208  10.058   0.517
  155   2HB   SER  19          2HB       SER  19   0.290  10.080   2.279
  156    HG   SER  19           HG       SER  19   2.362  10.285   1.531
  157    H    LYS  20           H        LYS  20  -0.727   8.049   3.906
  158    HA   LYS  20           HA       LYS  20   1.586   6.524   4.769
  159   1HB   LYS  20          1HB       LYS  20   0.650   8.432   6.102
  160   2HB   LYS  20          2HB       LYS  20  -0.784   7.459   6.402
  161   1HG   LYS  20          1HG       LYS  20   0.636   7.322   8.314
  162   2HG   LYS  20          2HG       LYS  20   0.667   5.760   7.494
  163   1HD   LYS  20          1HD       LYS  20   2.909   6.147   7.991
  164   2HD   LYS  20          2HD       LYS  20   2.774   6.674   6.313
  165   1HE   LYS  20          1HE       LYS  20   2.922   8.912   6.865
  166   2HE   LYS  20          2HE       LYS  20   2.365   8.648   8.516
  167   1HZ   LYS  20          1HZ       LYS  20   4.474   7.640   9.055
  168   2HZ   LYS  20          2HZ       LYS  20   4.738   9.176   8.400
  169   3HZ   LYS  20          3HZ       LYS  20   5.008   7.799   7.457
  170    H    HIS  21           H        HIS  21  -1.837   6.024   4.177
  171    HA   HIS  21           HA       HIS  21  -1.900   3.427   5.420
  172   1HB   HIS  21          1HB       HIS  21  -3.991   4.344   5.556
  173   2HB   HIS  21          2HB       HIS  21  -3.843   5.188   4.022
  174    HD1  HIS  21           HD1      HIS  21  -5.601   2.426   5.514
  175    HD2  HIS  21           HD2      HIS  21  -4.017   3.253   1.773
  176    HE1  HIS  21           HE1      HIS  21  -6.803   0.908   3.885
  177    H    ILE  22           H        ILE  22  -1.274   4.652   2.193
  178    HA   ILE  22           HA       ILE  22  -1.770   2.232   0.812
  179    HB   ILE  22           HB       ILE  22  -0.046   3.236  -0.876
  180   1HG1  ILE  22          1HG1      ILE  22  -0.782   5.909  -0.139
  181   2HG1  ILE  22          2HG1      ILE  22   0.074   5.134   1.188
  182   1HG2  ILE  22          1HG2      ILE  22  -2.315   3.056  -1.476
  183   2HG2  ILE  22          2HG2      ILE  22  -1.898   4.749  -1.733
  184   3HG2  ILE  22          3HG2      ILE  22  -2.807   4.274  -0.299
  185   1HD1  ILE  22          1HD1      ILE  22   1.299   4.738  -1.437
  186   2HD1  ILE  22          2HD1      ILE  22   2.032   5.164   0.109
  187   3HD1  ILE  22          3HD1      ILE  22   1.264   6.409  -0.875
  188    H    THR  23           H        THR  23   1.218   3.579   2.130
  189    HA   THR  23           HA       THR  23   2.926   1.580   1.226
  190    HB   THR  23           HB       THR  23   3.145   3.152   3.805
  191    HG1  THR  23           HG1      THR  23   4.036   3.730   1.175
  192   1HG2  THR  23          1HG2      THR  23   5.190   1.625   2.227
  193   2HG2  THR  23          2HG2      THR  23   4.803   1.502   3.944
  194   3HG2  THR  23          3HG2      THR  23   5.623   2.936   3.325
  195    H    LEU  24           H        LEU  24   0.524   1.361   3.679
  196    HA   LEU  24           HA       LEU  24   1.686  -1.156   4.672
  197   1HB   LEU  24          1HB       LEU  24   0.011  -0.969   6.500
  198   2HB   LEU  24          2HB       LEU  24   1.164   0.355   6.463
  199    HG   LEU  24           HG       LEU  24  -0.809   1.374   4.942
  200   1HD1  LEU  24          1HD1      LEU  24  -2.526   0.380   7.084
  201   2HD1  LEU  24          2HD1      LEU  24  -2.048  -0.844   5.908
  202   3HD1  LEU  24          3HD1      LEU  24  -2.866   0.625   5.370
  203   1HD2  LEU  24          1HD2      LEU  24   0.308   2.503   6.784
  204   2HD2  LEU  24          2HD2      LEU  24  -0.598   1.534   7.944
  205   3HD2  LEU  24          3HD2      LEU  24  -1.440   2.689   6.910
  206    H    HIS  25           H        HIS  25  -1.264   0.285   3.338
  207    HA   HIS  25           HA       HIS  25  -2.690  -2.177   3.286
  208   1HB   HIS  25          1HB       HIS  25  -4.441  -0.814   3.035
  209   2HB   HIS  25          2HB       HIS  25  -3.347   0.549   2.991
  210    HD1  HIS  25           HD1      HIS  25  -5.061  -1.857   0.599
  211    HD2  HIS  25           HD2      HIS  25  -3.330   1.921   0.667
  212    HE1  HIS  25           HE1      HIS  25  -5.579  -0.794  -1.637
  213    H    GLU  26           H        GLU  26  -0.640  -0.458   0.993
  214    HA   GLU  26           HA       GLU  26  -1.429  -2.232  -1.158
  215   1HB   GLU  26          1HB       GLU  26  -0.205  -0.909  -2.580
  216   2HB   GLU  26          2HB       GLU  26  -0.596   0.254  -1.325
  217   1HG   GLU  26          1HG       GLU  26   1.670  -0.339  -0.319
  218   2HG   GLU  26          2HG       GLU  26   2.014  -1.115  -1.863
  219    H    LEU  27           H        LEU  27   0.607  -2.401   1.530
  220    HA   LEU  27           HA       LEU  27   2.422  -4.327   0.245
  221   1HB   LEU  27          1HB       LEU  27   2.463  -2.865   2.868
  222   2HB   LEU  27          2HB       LEU  27   3.457  -4.289   2.624
  223   1HD1  LEU  27          1HD1      LEU  27   5.319  -4.303   1.198
  224   2HD1  LEU  27          2HD1      LEU  27   5.842  -2.863   0.325
  225   3HD1  LEU  27          3HD1      LEU  27   4.458  -3.791  -0.253
  226   1HD2  LEU  27          1HD2      LEU  27   3.341  -1.808  -0.378
  227   2HD2  LEU  27          2HD2      LEU  27   4.047  -0.603   0.701
  228   3HD2  LEU  27          3HD2      LEU  27   2.444  -1.262   1.042
  229    H    LEU  28           H        LEU  28   0.579  -4.124   3.297
  230    HA   LEU  28           HA       LEU  28   0.185  -7.035   3.179
  231   1HB   LEU  28          1HB       LEU  28   0.273  -5.060   5.430
  232   2HB   LEU  28          2HB       LEU  28  -0.566  -6.585   5.637
  233    HG   LEU  28           HG       LEU  28   2.198  -6.757   4.590
  234   1HD1  LEU  28          1HD1      LEU  28   2.457  -5.010   6.264
  235   2HD1  LEU  28          2HD1      LEU  28   3.182  -6.521   6.814
  236   3HD1  LEU  28          3HD1      LEU  28   1.620  -6.008   7.453
  237   1HD2  LEU  28          1HD2      LEU  28   2.261  -8.719   5.975
  238   2HD2  LEU  28          2HD2      LEU  28   0.752  -8.716   5.063
  239   3HD2  LEU  28          3HD2      LEU  28   0.752  -8.261   6.767
  240    H    GLY  29           H        GLY  29  -1.877  -7.933   3.463
  241   1HA   GLY  29          1HA       GLY  29  -4.041  -6.219   2.557
  242   2HA   GLY  29          2HA       GLY  29  -4.094  -7.967   2.731
  243    H    GLU  30           H        GLU  30  -3.837  -5.025   4.742
  244    HA   GLU  30           HA       GLU  30  -6.092  -5.767   6.322
  245   1HB   GLU  30          1HB       GLU  30  -4.197  -7.246   7.198
  246   2HB   GLU  30          2HB       GLU  30  -3.469  -5.768   7.811
  247   1HG   GLU  30          1HG       GLU  30  -6.276  -6.550   8.517
  248   2HG   GLU  30          2HG       GLU  30  -4.886  -7.164   9.409
  249    H    GLU  31           H        GLU  31  -6.923  -3.750   6.097
  250    HA   GLU  31           HA       GLU  31  -5.272  -1.481   6.977
  251   1HB   GLU  31          1HB       GLU  31  -7.249  -0.147   5.901
  252   2HB   GLU  31          2HB       GLU  31  -5.997  -0.844   4.888
  253   1HG   GLU  31          1HG       GLU  31  -7.435  -2.184   3.840
  254   2HG   GLU  31          2HG       GLU  31  -8.242  -2.648   5.335
  255    H    ARG  32           H        ARG  32  -8.709  -2.487   7.122
  256    HA   ARG  32           HA       ARG  32  -8.899  -1.163   9.740
  257   1HB   ARG  32          1HB       ARG  32 -10.532  -0.928   7.547
  258   2HB   ARG  32          2HB       ARG  32 -11.388  -2.122   8.512
  259   1HG   ARG  32          1HG       ARG  32 -10.999  -0.413  10.447
  260   2HG   ARG  32          2HG       ARG  32 -10.786   0.732   9.122
  261   1HD   ARG  32          1HD       ARG  32 -13.065   0.855   9.669
  262   2HD   ARG  32          2HD       ARG  32 -12.997  -0.145   8.218
  263    HE   ARG  32           HE       ARG  32 -12.923  -1.729  10.585
  264   1HH1  ARG  32          1HH1      ARG  32 -15.099   0.066   8.508
  265   2HH1  ARG  32          2HH1      ARG  32 -16.481  -0.886   8.929
  266   1HH2  ARG  32          1HH2      ARG  32 -14.751  -2.977  11.137
  267   2HH2  ARG  32          2HH2      ARG  32 -16.286  -2.612  10.421
  268    H    ARG  33           H        ARG  33 -10.509  -2.253  11.267
  269    HA   ARG  33           HA       ARG  33  -9.925  -5.137  11.314
  270   1HB   ARG  33          1HB       ARG  33 -10.346  -4.978  13.769
  271   2HB   ARG  33          2HB       ARG  33  -8.969  -4.038  13.217
  272   1HG   ARG  33          1HG       ARG  33 -11.514  -2.571  13.317
  273   2HG   ARG  33          2HG       ARG  33 -10.890  -3.116  14.875
  274   1HD   ARG  33          1HD       ARG  33  -8.698  -2.072  14.264
  275   2HD   ARG  33          2HD       ARG  33  -9.485  -1.393  12.841
  276    HE   ARG  33           HE       ARG  33 -10.578   0.127  14.185
  277   1HH1  ARG  33          1HH1      ARG  33  -8.960  -2.245  16.193
  278   2HH1  ARG  33          2HH1      ARG  33  -9.191  -1.345  17.653
  279   1HH2  ARG  33          1HH2      ARG  33 -10.883   1.303  16.112
  280   2HH2  ARG  33          2HH2      ARG  33 -10.283   0.669  17.609
  Start of MODEL    9
    1    H    TYR   1           H        TYR   1 -14.673  13.843   1.620
    2    HA   TYR   1           HA       TYR   1 -12.881  12.686   0.775
    3   1HB   TYR   1          1HB       TYR   1 -15.287  10.931   0.243
    4   2HB   TYR   1          2HB       TYR   1 -13.703  10.430   0.820
    5    HD1  TYR   1           HD1      TYR   1 -13.003  11.044   3.153
    6    HD2  TYR   1           HD2      TYR   1 -16.972  11.641   1.743
    7    HE1  TYR   1           HE1      TYR   1 -13.793  11.231   5.473
    8    HE2  TYR   1           HE2      TYR   1 -17.774  11.830   4.059
    9    HH   TYR   1           HH       TYR   1 -16.673  10.817   6.477
   10    H    LYS   2           H        LYS   2 -11.796  13.209  -1.057
   11    HA   LYS   2           HA       LYS   2 -12.763  12.018  -3.556
   12   1HB   LYS   2          1HB       LYS   2 -12.140  14.892  -3.055
   13   2HB   LYS   2          2HB       LYS   2 -11.710  14.212  -4.617
   14   1HG   LYS   2          1HG       LYS   2 -13.854  14.046  -5.290
   15   2HG   LYS   2          2HG       LYS   2 -14.446  13.648  -3.677
   16   1HD   LYS   2          1HD       LYS   2 -14.962  15.778  -3.238
   17   2HD   LYS   2          2HD       LYS   2 -13.408  16.359  -3.837
   18   1HE   LYS   2          1HE       LYS   2 -15.489  15.464  -5.782
   19   2HE   LYS   2          2HE       LYS   2 -15.638  17.048  -5.027
   20   1HZ   LYS   2          1HZ       LYS   2 -13.297  16.087  -6.584
   21   2HZ   LYS   2          2HZ       LYS   2 -13.436  17.608  -5.858
   22   3HZ   LYS   2          3HZ       LYS   2 -14.466  17.183  -7.130
   23    H    PHE   3           H        PHE   3 -10.861  10.835  -1.975
   24    HA   PHE   3           HA       PHE   3  -8.575  10.871  -3.750
   25   1HB   PHE   3          1HB       PHE   3  -8.297  12.561  -1.720
   26   2HB   PHE   3          2HB       PHE   3  -7.873  11.087  -0.855
   27    HD1  PHE   3           HD1      PHE   3  -6.868  13.444  -3.457
   28    HD2  PHE   3           HD2      PHE   3  -5.868   9.861  -1.410
   29    HE1  PHE   3           HE1      PHE   3  -4.577  13.579  -4.344
   30    HE2  PHE   3           HE2      PHE   3  -3.574   9.976  -2.285
   31    HZ   PHE   3           HZ       PHE   3  -2.926  11.845  -3.762
   32    H    ALA   4           H        ALA   4  -8.599   8.779  -4.281
   33    HA   ALA   4           HA       ALA   4  -8.793   6.794  -2.144
   34   1HB   ALA   4          1HB       ALA   4 -10.677   6.674  -3.669
   35   2HB   ALA   4          2HB       ALA   4  -9.671   5.233  -3.818
   36   3HB   ALA   4          3HB       ALA   4  -9.576   6.505  -5.037
   37    H    CYS   5           H        CYS   5  -7.396   5.018  -2.147
   38    HA   CYS   5           HA       CYS   5  -4.775   5.502  -3.073
   39   1HB   CYS   5          1HB       CYS   5  -5.868   2.820  -2.223
   40   2HB   CYS   5          2HB       CYS   5  -4.204   3.381  -2.128
   41    HG   CYS   5           HG       CYS   5  -6.133   3.614   0.062
   42    HA   PRO   6           HA       PRO   6  -4.770   3.803  -7.149
   43   1HB   PRO   6          1HB       PRO   6  -2.266   2.735  -7.280
   44   2HB   PRO   6          2HB       PRO   6  -2.584   4.471  -7.360
   45   1HG   PRO   6          1HG       PRO   6  -1.693   2.813  -5.036
   46   2HG   PRO   6          2HG       PRO   6  -1.140   4.418  -5.543
   47   1HD   PRO   6          1HD       PRO   6  -2.894   4.053  -3.515
   48   2HD   PRO   6          2HD       PRO   6  -2.932   5.483  -4.565
   49    H    GLU   7           H        GLU   7  -4.348   1.804  -4.367
   50    HA   GLU   7           HA       GLU   7  -4.577  -0.652  -5.944
   51   1HB   GLU   7          1HB       GLU   7  -3.710  -0.055  -3.138
   52   2HB   GLU   7          2HB       GLU   7  -4.256  -1.670  -3.560
   53   1HG   GLU   7          1HG       GLU   7  -1.911  -1.685  -3.749
   54   2HG   GLU   7          2HG       GLU   7  -2.540  -1.657  -5.395
   55    H    CYS   8           H        CYS   8  -6.094   0.883  -3.068
   56    HA   CYS   8           HA       CYS   8  -8.457  -0.797  -3.553
   57   1HB   CYS   8          1HB       CYS   8  -9.123  -0.405  -1.283
   58   2HB   CYS   8          2HB       CYS   8  -7.477  -0.963  -1.305
   59    HG   CYS   8           HG       CYS   8  -6.789   1.595  -0.861
   60    HA   PRO   9           HA       PRO   9 -11.042   2.579  -4.519
   61   1HB   PRO   9          1HB       PRO   9 -13.422   1.588  -3.812
   62   2HB   PRO   9          2HB       PRO   9 -12.459   0.840  -5.091
   63   1HG   PRO   9          1HG       PRO   9 -12.836  -0.017  -2.255
   64   2HG   PRO   9          2HG       PRO   9 -12.715  -1.007  -3.720
   65   1HD   PRO   9          1HD       PRO   9 -10.630  -0.506  -1.925
   66   2HD   PRO   9          2HD       PRO   9 -10.438  -1.099  -3.577
   67    H    LYS  10           H        LYS  10 -10.352   1.943  -1.294
   68    HA   LYS  10           HA       LYS  10 -12.303   3.265   0.161
   69   1HB   LYS  10          1HB       LYS  10  -9.465   2.561   0.589
   70   2HB   LYS  10          2HB       LYS  10 -10.084   3.865   1.594
   71   1HG   LYS  10          1HG       LYS  10 -11.600   1.300   1.365
   72   2HG   LYS  10          2HG       LYS  10 -10.204   1.419   2.437
   73   1HD   LYS  10          1HD       LYS  10 -11.593   2.248   3.972
   74   2HD   LYS  10          2HD       LYS  10 -11.676   3.707   2.984
   75   1HE   LYS  10          1HE       LYS  10 -13.906   3.183   3.214
   76   2HE   LYS  10          2HE       LYS  10 -13.517   2.388   1.689
   77   1HZ   LYS  10          1HZ       LYS  10 -13.641   1.075   4.352
   78   2HZ   LYS  10          2HZ       LYS  10 -13.239   0.306   2.900
   79   3HZ   LYS  10          3HZ       LYS  10 -14.794   0.935   3.121
   80    H    ARG  11           H        ARG  11 -12.908   5.298   0.366
   81    HA   ARG  11           HA       ARG  11 -11.304   7.390  -0.915
   82   1HB   ARG  11          1HB       ARG  11 -13.413   8.768  -0.658
   83   2HB   ARG  11          2HB       ARG  11 -13.526   7.398  -1.751
   84   1HG   ARG  11          1HG       ARG  11 -14.862   6.180  -0.286
   85   2HG   ARG  11          2HG       ARG  11 -14.397   7.161   1.105
   86   1HD   ARG  11          1HD       ARG  11 -15.507   9.056  -0.443
   87   2HD   ARG  11          2HD       ARG  11 -16.432   7.655  -0.980
   88    HE   ARG  11           HE       ARG  11 -16.449   7.596   1.787
   89   1HH1  ARG  11          1HH1      ARG  11 -17.568   9.756  -0.731
   90   2HH1  ARG  11          2HH1      ARG  11 -18.889  10.364   0.209
   91   1HH2  ARG  11          1HH2      ARG  11 -18.189   8.402   3.020
   92   2HH2  ARG  11          2HH2      ARG  11 -19.241   9.597   2.337
   93    H    PHE  12           H        PHE  12 -10.069   8.621   0.320
   94    HA   PHE  12           HA       PHE  12 -10.631   8.794   3.195
   95   1HB   PHE  12          1HB       PHE  12  -8.139   9.612   1.690
   96   2HB   PHE  12          2HB       PHE  12  -8.330   9.590   3.433
   97    HD1  PHE  12           HD1      PHE  12  -7.155   7.925   4.446
   98    HD2  PHE  12           HD2      PHE  12  -8.929   7.128   0.659
   99    HE1  PHE  12           HE1      PHE  12  -6.267   5.633   4.515
  100    HE2  PHE  12           HE2      PHE  12  -8.049   4.834   0.727
  101    HZ   PHE  12           HZ       PHE  12  -6.707   4.078   2.654
  102    H    MET  13           H        MET  13  -9.587  11.060   4.036
  103    HA   MET  13           HA       MET  13 -11.296  13.093   2.831
  104   1HB   MET  13          1HB       MET  13 -11.141  12.534   5.358
  105   2HB   MET  13          2HB       MET  13  -9.659  13.477   5.319
  106   1HG   MET  13          1HG       MET  13 -10.844  15.322   5.557
  107   2HG   MET  13          2HG       MET  13 -11.632  15.006   4.012
  108   1HE   MET  13          1HE       MET  13 -15.154  14.898   5.021
  109   2HE   MET  13          2HE       MET  13 -14.117  14.241   3.756
  110   3HE   MET  13          3HE       MET  13 -13.899  15.904   4.298
  111    H    ARG  14           H        ARG  14  -7.874  12.475   3.479
  112    HA   ARG  14           HA       ARG  14  -7.208  14.780   1.766
  113   1HB   ARG  14          1HB       ARG  14  -5.697  13.911   4.238
  114   2HB   ARG  14          2HB       ARG  14  -5.239  15.222   3.162
  115   1HG   ARG  14          1HG       ARG  14  -7.146  16.508   3.801
  116   2HG   ARG  14          2HG       ARG  14  -7.814  15.155   4.716
  117   1HD   ARG  14          1HD       ARG  14  -6.867  16.379   6.407
  118   2HD   ARG  14          2HD       ARG  14  -5.532  15.302   6.000
  119    HE   ARG  14           HE       ARG  14  -5.136  17.502   4.432
  120   1HH1  ARG  14          1HH1      ARG  14  -5.496  16.972   7.877
  121   2HH1  ARG  14          2HH1      ARG  14  -4.502  18.322   8.311
  122   1HH2  ARG  14          1HH2      ARG  14  -3.829  19.276   5.012
  123   2HH2  ARG  14          2HH2      ARG  14  -3.555  19.631   6.685
  124    H    SER  15           H        SER  15  -4.895  14.638   0.954
  125    HA   SER  15           HA       SER  15  -4.556  12.162  -0.418
  126   1HB   SER  15          1HB       SER  15  -2.552  14.424  -0.193
  127   2HB   SER  15          2HB       SER  15  -2.632  13.193  -1.453
  128    HG   SER  15           HG       SER  15  -4.070  15.516  -1.165
  129    H    ASP  16           H        ASP  16  -2.753  13.766   2.199
  130    HA   ASP  16           HA       ASP  16  -0.749  11.815   2.478
  131   1HB   ASP  16          1HB       ASP  16  -0.429  12.771   4.766
  132   2HB   ASP  16          2HB       ASP  16  -0.426  13.969   3.478
  133    H    HIS  17           H        HIS  17  -4.035  11.967   3.685
  134    HA   HIS  17           HA       HIS  17  -3.960  10.103   5.743
  135   1HB   HIS  17          1HB       HIS  17  -6.096  10.804   3.736
  136   2HB   HIS  17          2HB       HIS  17  -6.368   9.578   4.968
  137    HD1  HIS  17           HD1      HIS  17  -8.293  11.362   5.681
  138    HD2  HIS  17           HD2      HIS  17  -4.355  12.466   6.406
  139    HE1  HIS  17           HE1      HIS  17  -8.417  13.235   7.353
  140    HE2  HIS  17           HE2      HIS  17  -6.027  13.940   7.717
  141    H    LEU  18           H        LEU  18  -3.804   9.646   2.283
  142    HA   LEU  18           HA       LEU  18  -4.080   6.751   2.484
  143   1HB   LEU  18          1HB       LEU  18  -3.510   8.522   0.120
  144   2HB   LEU  18          2HB       LEU  18  -3.751   6.792   0.042
  145    HG   LEU  18           HG       LEU  18  -6.071   7.194   0.961
  146   1HD1  LEU  18          1HD1      LEU  18  -6.110   9.311   1.866
  147   2HD1  LEU  18          2HD1      LEU  18  -6.822   9.601   0.278
  148   3HD1  LEU  18          3HD1      LEU  18  -5.129   9.996   0.572
  149   1HD2  LEU  18          1HD2      LEU  18  -5.832   6.627  -1.306
  150   2HD2  LEU  18          2HD2      LEU  18  -5.158   8.206  -1.708
  151   3HD2  LEU  18          3HD2      LEU  18  -6.864   8.056  -1.284
  152    H    SER  19           H        SER  19  -1.700   9.145   1.369
  153    HA   SER  19           HA       SER  19   0.376   7.660   0.576
  154   1HB   SER  19          1HB       SER  19   0.614  10.035   0.601
  155   2HB   SER  19          2HB       SER  19   0.455  10.105   2.356
  156    HG   SER  19           HG       SER  19   2.644   9.352   0.785
  157    H    LYS  20           H        LYS  20  -0.480   8.116   3.989
  158    HA   LYS  20           HA       LYS  20   1.735   6.481   4.887
  159   1HB   LYS  20          1HB       LYS  20  -0.503   7.955   6.215
  160   2HB   LYS  20          2HB       LYS  20   0.326   6.687   7.108
  161   1HG   LYS  20          1HG       LYS  20   1.774   8.262   7.712
  162   2HG   LYS  20          2HG       LYS  20   2.401   8.161   6.066
  163   1HD   LYS  20          1HD       LYS  20   1.998  10.429   6.302
  164   2HD   LYS  20          2HD       LYS  20   0.520   9.867   5.519
  165   1HE   LYS  20          1HE       LYS  20  -0.119   9.545   8.138
  166   2HE   LYS  20          2HE       LYS  20   0.942  10.950   8.221
  167   1HZ   LYS  20          1HZ       LYS  20  -1.396  10.738   6.404
  168   2HZ   LYS  20          2HZ       LYS  20  -0.444  12.108   6.682
  169   3HZ   LYS  20          3HZ       LYS  20  -1.432  11.504   7.913
  170    H    HIS  21           H        HIS  21  -1.690   6.108   4.230
  171    HA   HIS  21           HA       HIS  21  -1.879   3.499   5.433
  172   1HB   HIS  21          1HB       HIS  21  -3.944   4.471   5.531
  173   2HB   HIS  21          2HB       HIS  21  -3.718   5.364   4.035
  174    HD1  HIS  21           HD1      HIS  21  -5.788   2.804   5.325
  175    HD2  HIS  21           HD2      HIS  21  -3.743   3.332   1.758
  176    HE1  HIS  21           HE1      HIS  21  -6.937   1.321   3.625
  177    H    ILE  22           H        ILE  22  -1.307   4.740   2.167
  178    HA   ILE  22           HA       ILE  22  -1.821   2.327   0.812
  179    HB   ILE  22           HB       ILE  22  -0.128   3.319  -0.921
  180   1HG1  ILE  22          1HG1      ILE  22  -0.822   5.999  -0.175
  181   2HG1  ILE  22          2HG1      ILE  22   0.047   5.220   1.143
  182   1HG2  ILE  22          1HG2      ILE  22  -2.240   3.315  -1.735
  183   2HG2  ILE  22          2HG2      ILE  22  -2.099   5.051  -1.459
  184   3HG2  ILE  22          3HG2      ILE  22  -2.922   4.035  -0.277
  185   1HD1  ILE  22          1HD1      ILE  22   1.886   4.691  -0.337
  186   2HD1  ILE  22          2HD1      ILE  22   1.540   6.420  -0.379
  187   3HD1  ILE  22          3HD1      ILE  22   1.005   5.381  -1.701
  188    H    THR  23           H        THR  23   1.239   3.641   2.014
  189    HA   THR  23           HA       THR  23   2.898   1.638   1.070
  190    HB   THR  23           HB       THR  23   3.154   3.129   3.693
  191    HG1  THR  23           HG1      THR  23   3.282   4.725   2.318
  192   1HG2  THR  23          1HG2      THR  23   5.186   1.639   2.060
  193   2HG2  THR  23          2HG2      THR  23   4.767   1.410   3.758
  194   3HG2  THR  23          3HG2      THR  23   5.615   2.870   3.248
  195    H    LEU  24           H        LEU  24   0.624   1.480   3.703
  196    HA   LEU  24           HA       LEU  24   1.692  -1.120   4.547
  197   1HB   LEU  24          1HB       LEU  24   0.094  -0.920   6.439
  198   2HB   LEU  24          2HB       LEU  24   1.284   0.369   6.381
  199    HG   LEU  24           HG       LEU  24  -0.710   1.502   4.979
  200   1HD1  LEU  24          1HD1      LEU  24  -2.762   0.753   5.406
  201   2HD1  LEU  24          2HD1      LEU  24  -2.411   0.506   7.118
  202   3HD1  LEU  24          3HD1      LEU  24  -1.970  -0.731   5.940
  203   1HD2  LEU  24          1HD2      LEU  24   0.570   2.374   6.950
  204   2HD2  LEU  24          2HD2      LEU  24  -0.617   1.575   7.982
  205   3HD2  LEU  24          3HD2      LEU  24  -1.125   2.856   6.881
  206    H    HIS  25           H        HIS  25  -1.289   0.412   3.368
  207    HA   HIS  25           HA       HIS  25  -2.816  -1.973   3.343
  208   1HB   HIS  25          1HB       HIS  25  -4.476  -0.523   2.988
  209   2HB   HIS  25          2HB       HIS  25  -3.315   0.776   2.847
  210    HD1  HIS  25           HD1      HIS  25  -5.007  -1.792   0.597
  211    HD2  HIS  25           HD2      HIS  25  -3.357   2.023   0.469
  212    HE1  HIS  25           HE1      HIS  25  -5.521  -0.867  -1.699
  213    H    GLU  26           H        GLU  26  -0.577  -0.505   1.083
  214    HA   GLU  26           HA       GLU  26  -1.312  -2.378  -1.025
  215   1HB   GLU  26          1HB       GLU  26   0.003  -1.130  -2.466
  216   2HB   GLU  26          2HB       GLU  26  -0.542   0.098  -1.336
  217   1HG   GLU  26          1HG       GLU  26   1.634   0.653  -1.329
  218   2HG   GLU  26          2HG       GLU  26   1.740  -0.635  -0.131
  219    H    LEU  27           H        LEU  27   0.923  -2.088   1.602
  220    HA   LEU  27           HA       LEU  27   2.858  -3.954   0.560
  221   1HB   LEU  27          1HB       LEU  27   3.845  -2.546   2.083
  222   2HB   LEU  27          2HB       LEU  27   2.433  -2.498   3.120
  223   1HD1  LEU  27          1HD1      LEU  27   5.685  -4.667   4.191
  224   2HD1  LEU  27          2HD1      LEU  27   5.467  -2.950   3.852
  225   3HD1  LEU  27          3HD1      LEU  27   5.641  -4.097   2.524
  226   1HD2  LEU  27          1HD2      LEU  27   3.264  -4.962   5.413
  227   2HD2  LEU  27          2HD2      LEU  27   2.096  -3.781   4.820
  228   3HD2  LEU  27          3HD2      LEU  27   3.662  -3.244   5.427
  229    H    LEU  28           H        LEU  28   0.580  -4.123   3.311
  230    HA   LEU  28           HA       LEU  28   0.577  -7.049   3.046
  231   1HB   LEU  28          1HB       LEU  28   0.903  -5.427   5.269
  232   2HB   LEU  28          2HB       LEU  28  -0.763  -5.956   5.392
  233    HG   LEU  28           HG       LEU  28  -0.006  -8.309   5.258
  234   1HD1  LEU  28          1HD1      LEU  28   2.422  -8.747   5.616
  235   2HD1  LEU  28          2HD1      LEU  28   2.729  -7.047   5.258
  236   3HD1  LEU  28          3HD1      LEU  28   2.028  -8.095   4.025
  237   1HD2  LEU  28          1HD2      LEU  28   0.673  -8.462   7.497
  238   2HD2  LEU  28          2HD2      LEU  28  -0.275  -6.977   7.415
  239   3HD2  LEU  28          3HD2      LEU  28   1.487  -6.898   7.448
  240    H    GLY  29           H        GLY  29  -1.086  -7.886   1.982
  241   1HA   GLY  29          1HA       GLY  29  -3.575  -6.372   1.741
  242   2HA   GLY  29          2HA       GLY  29  -3.126  -7.792   0.808
  243    H    GLU  30           H        GLU  30  -4.128  -6.725   4.038
  244    HA   GLU  30           HA       GLU  30  -4.891  -9.429   4.773
  245   1HB   GLU  30          1HB       GLU  30  -4.224  -7.030   6.185
  246   2HB   GLU  30          2HB       GLU  30  -5.825  -7.552   6.692
  247   1HG   GLU  30          1HG       GLU  30  -4.533  -8.690   8.179
  248   2HG   GLU  30          2HG       GLU  30  -4.655  -9.889   6.893
  249    H    GLU  31           H        GLU  31  -6.667 -10.115   3.729
  250    HA   GLU  31           HA       GLU  31  -9.018  -8.350   3.632
  251   1HB   GLU  31          1HB       GLU  31  -9.832  -9.677   1.815
  252   2HB   GLU  31          2HB       GLU  31  -8.148  -9.304   1.482
  253   1HG   GLU  31          1HG       GLU  31  -7.670 -11.451   1.290
  254   2HG   GLU  31          2HG       GLU  31  -8.287 -11.772   2.909
  255    H    ARG  32           H        ARG  32 -11.158  -9.699   3.675
  256    HA   ARG  32           HA       ARG  32 -11.225 -11.011   6.242
  257   1HB   ARG  32          1HB       ARG  32 -12.981  -9.393   5.178
  258   2HB   ARG  32          2HB       ARG  32 -13.585 -10.847   4.397
  259   1HG   ARG  32          1HG       ARG  32 -13.281 -11.544   7.078
  260   2HG   ARG  32          2HG       ARG  32 -13.961  -9.915   7.095
  261   1HD   ARG  32          1HD       ARG  32 -15.813 -11.369   7.062
  262   2HD   ARG  32          2HD       ARG  32 -15.661 -10.763   5.414
  263    HE   ARG  32           HE       ARG  32 -15.201 -12.891   4.707
  264   1HH1  ARG  32          1HH1      ARG  32 -14.871 -12.790   8.193
  265   2HH1  ARG  32          2HH1      ARG  32 -14.711 -14.505   8.350
  266   1HH2  ARG  32          1HH2      ARG  32 -14.988 -15.150   4.922
  267   2HH2  ARG  32          2HH2      ARG  32 -14.777 -15.846   6.494
  268    H    ARG  33           H        ARG  33  -9.918 -12.859   5.716
  269    HA   ARG  33           HA       ARG  33  -9.602 -15.056   5.275
  270   1HB   ARG  33          1HB       ARG  33 -12.608 -14.957   5.080
  271   2HB   ARG  33          2HB       ARG  33 -11.709 -16.450   4.853
  272   1HG   ARG  33          1HG       ARG  33 -11.313 -14.797   7.315
  273   2HG   ARG  33          2HG       ARG  33 -12.681 -15.903   7.177
  274   1HD   ARG  33          1HD       ARG  33 -10.097 -17.059   6.410
  275   2HD   ARG  33          2HD       ARG  33 -10.205 -16.577   8.102
  276    HE   ARG  33           HE       ARG  33 -12.489 -17.971   7.720
  277   1HH1  ARG  33          1HH1      ARG  33  -9.126 -18.705   7.075
  278   2HH1  ARG  33          2HH1      ARG  33  -9.329 -20.410   7.303
  279   1HH2  ARG  33          1HH2      ARG  33 -12.748 -20.216   8.025
  280   2HH2  ARG  33          2HH2      ARG  33 -11.383 -21.267   7.842
  Start of MODEL   10
    1    H    TYR   1           H        TYR   1 -14.881  13.009   2.283
    2    HA   TYR   1           HA       TYR   1 -12.920  12.408   1.267
    3   1HB   TYR   1          1HB       TYR   1 -15.101  10.734  -0.006
    4   2HB   TYR   1          2HB       TYR   1 -13.463  10.216   0.373
    5    HD1  TYR   1           HD1      TYR   1 -12.786  10.254   2.877
    6    HD2  TYR   1           HD2      TYR   1 -16.817  10.379   1.523
    7    HE1  TYR   1           HE1      TYR   1 -13.543   9.469   5.081
    8    HE2  TYR   1           HE2      TYR   1 -17.586   9.594   3.723
    9    HH   TYR   1           HH       TYR   1 -16.122   8.085   5.755
   10    H    LYS   2           H        LYS   2 -11.521  12.635  -0.403
   11    HA   LYS   2           HA       LYS   2 -12.464  12.809  -3.133
   12   1HB   LYS   2          1HB       LYS   2 -12.549  15.149  -1.885
   13   2HB   LYS   2          2HB       LYS   2 -10.832  15.152  -2.261
   14   1HG   LYS   2          1HG       LYS   2 -11.733  16.257  -4.067
   15   2HG   LYS   2          2HG       LYS   2 -11.613  14.603  -4.671
   16   1HD   LYS   2          1HD       LYS   2 -14.052  14.417  -3.707
   17   2HD   LYS   2          2HD       LYS   2 -14.025  16.173  -3.885
   18   1HE   LYS   2          1HE       LYS   2 -14.884  15.477  -5.919
   19   2HE   LYS   2          2HE       LYS   2 -13.169  15.673  -6.276
   20   1HZ   LYS   2          1HZ       LYS   2 -14.509  13.099  -5.633
   21   2HZ   LYS   2          2HZ       LYS   2 -12.871  13.295  -6.005
   22   3HZ   LYS   2          3HZ       LYS   2 -14.047  13.606  -7.179
   23    H    PHE   3           H        PHE   3 -10.733  10.973  -1.799
   24    HA   PHE   3           HA       PHE   3  -8.539  10.998  -3.613
   25   1HB   PHE   3          1HB       PHE   3  -7.984  12.591  -1.544
   26   2HB   PHE   3          2HB       PHE   3  -7.549  11.057  -0.803
   27    HD1  PHE   3           HD1      PHE   3  -6.776  13.401  -3.525
   28    HD2  PHE   3           HD2      PHE   3  -5.593   9.875  -1.473
   29    HE1  PHE   3           HE1      PHE   3  -4.584  13.490  -4.638
   30    HE2  PHE   3           HE2      PHE   3  -3.401   9.949  -2.575
   31    HZ   PHE   3           HZ       PHE   3  -2.891  11.762  -4.166
   32    H    ALA   4           H        ALA   4  -8.555   8.921  -4.177
   33    HA   ALA   4           HA       ALA   4  -8.850   6.893  -2.089
   34   1HB   ALA   4          1HB       ALA   4 -10.731   6.872  -3.606
   35   2HB   ALA   4          2HB       ALA   4  -9.768   5.412  -3.829
   36   3HB   ALA   4          3HB       ALA   4  -9.645   6.735  -4.988
   37    H    CYS   5           H        CYS   5  -7.462   5.139  -2.044
   38    HA   CYS   5           HA       CYS   5  -4.845   5.518  -2.988
   39   1HB   CYS   5          1HB       CYS   5  -6.089   2.899  -2.129
   40   2HB   CYS   5          2HB       CYS   5  -4.377   3.305  -2.130
   41    HG   CYS   5           HG       CYS   5  -5.966   3.585   0.219
   42    HA   PRO   6           HA       PRO   6  -4.936   3.864  -7.089
   43   1HB   PRO   6          1HB       PRO   6  -2.421   2.881  -7.316
   44   2HB   PRO   6          2HB       PRO   6  -2.771   4.614  -7.306
   45   1HG   PRO   6          1HG       PRO   6  -1.804   2.864  -5.077
   46   2HG   PRO   6          2HG       PRO   6  -1.270   4.493  -5.533
   47   1HD   PRO   6          1HD       PRO   6  -2.984   4.031  -3.484
   48   2HD   PRO   6          2HD       PRO   6  -3.038   5.508  -4.466
   49    H    GLU   7           H        GLU   7  -4.378   1.844  -4.342
   50    HA   GLU   7           HA       GLU   7  -4.573  -0.599  -5.941
   51   1HB   GLU   7          1HB       GLU   7  -3.559   0.040  -3.215
   52   2HB   GLU   7          2HB       GLU   7  -4.218  -1.567  -3.487
   53   1HG   GLU   7          1HG       GLU   7  -2.451  -0.914  -5.629
   54   2HG   GLU   7          2HG       GLU   7  -1.642  -0.607  -4.094
   55    H    CYS   8           H        CYS   8  -6.106   0.921  -3.075
   56    HA   CYS   8           HA       CYS   8  -8.393  -0.885  -3.466
   57   1HB   CYS   8          1HB       CYS   8  -9.047  -0.440  -1.202
   58   2HB   CYS   8          2HB       CYS   8  -7.379  -0.925  -1.230
   59    HG   CYS   8           HG       CYS   8  -7.147   1.065   0.226
   60    HA   PRO   9           HA       PRO   9 -11.148   2.328  -4.514
   61   1HB   PRO   9          1HB       PRO   9 -13.470   1.282  -3.686
   62   2HB   PRO   9          2HB       PRO   9 -12.521   0.522  -4.967
   63   1HG   PRO   9          1HG       PRO   9 -12.778  -0.241  -2.093
   64   2HG   PRO   9          2HG       PRO   9 -12.655  -1.279  -3.523
   65   1HD   PRO   9          1HD       PRO   9 -10.548  -0.627  -1.805
   66   2HD   PRO   9          2HD       PRO   9 -10.375  -1.275  -3.440
   67    H    LYS  10           H        LYS  10 -10.438   1.783  -1.246
   68    HA   LYS  10           HA       LYS  10 -12.391   3.202   0.127
   69   1HB   LYS  10          1HB       LYS  10  -9.705   2.230   0.670
   70   2HB   LYS  10          2HB       LYS  10 -10.028   3.755   1.486
   71   1HG   LYS  10          1HG       LYS  10 -11.932   1.441   1.650
   72   2HG   LYS  10          2HG       LYS  10 -10.553   1.599   2.740
   73   1HD   LYS  10          1HD       LYS  10 -11.974   2.776   4.023
   74   2HD   LYS  10          2HD       LYS  10 -11.648   4.088   2.890
   75   1HE   LYS  10          1HE       LYS  10 -13.608   3.486   1.589
   76   2HE   LYS  10          2HE       LYS  10 -13.912   2.107   2.645
   77   1HZ   LYS  10          1HZ       LYS  10 -15.327   3.988   3.201
   78   2HZ   LYS  10          2HZ       LYS  10 -13.971   4.961   3.475
   79   3HZ   LYS  10          3HZ       LYS  10 -14.276   3.635   4.480
   80    H    ARG  11           H        ARG  11 -12.866   5.271   0.378
   81    HA   ARG  11           HA       ARG  11 -11.146   7.258  -0.933
   82   1HB   ARG  11          1HB       ARG  11 -13.163   8.718  -0.915
   83   2HB   ARG  11          2HB       ARG  11 -13.371   7.243  -1.846
   84   1HG   ARG  11          1HG       ARG  11 -14.231   6.750   0.823
   85   2HG   ARG  11          2HG       ARG  11 -14.976   8.244   0.252
   86   1HD   ARG  11          1HD       ARG  11 -14.972   5.690  -1.340
   87   2HD   ARG  11          2HD       ARG  11 -16.258   6.119  -0.214
   88    HE   ARG  11           HE       ARG  11 -16.181   8.285  -1.770
   89   1HH1  ARG  11          1HH1      ARG  11 -16.218   4.883  -2.609
   90   2HH1  ARG  11          2HH1      ARG  11 -17.030   5.140  -4.115
   91   1HH2  ARG  11          1HH2      ARG  11 -17.250   8.613  -3.757
   92   2HH2  ARG  11          2HH2      ARG  11 -17.615   7.255  -4.768
   93    H    PHE  12           H        PHE  12  -9.980   8.552   0.285
   94    HA   PHE  12           HA       PHE  12 -10.639   8.826   3.135
   95   1HB   PHE  12          1HB       PHE  12  -8.063   9.576   1.744
   96   2HB   PHE  12          2HB       PHE  12  -8.342   9.525   3.472
   97    HD1  PHE  12           HD1      PHE  12  -7.142   7.865   4.466
   98    HD2  PHE  12           HD2      PHE  12  -8.915   7.079   0.675
   99    HE1  PHE  12           HE1      PHE  12  -6.272   5.567   4.535
  100    HE2  PHE  12           HE2      PHE  12  -8.055   4.780   0.746
  101    HZ   PHE  12           HZ       PHE  12  -6.721   4.014   2.675
  102    H    MET  13           H        MET  13  -9.471  11.148   3.848
  103    HA   MET  13           HA       MET  13 -11.121  13.126   2.456
  104   1HB   MET  13          1HB       MET  13  -9.800  13.135   5.167
  105   2HB   MET  13          2HB       MET  13 -10.596  14.544   4.484
  106   1HG   MET  13          1HG       MET  13 -12.330  13.732   5.673
  107   2HG   MET  13          2HG       MET  13 -12.579  12.803   4.197
  108   1HE   MET  13          1HE       MET  13 -11.608  13.040   7.725
  109   2HE   MET  13          2HE       MET  13 -10.108  12.134   7.534
  110   3HE   MET  13          3HE       MET  13 -11.492  11.390   8.334
  111    H    ARG  14           H        ARG  14  -7.750  12.534   3.380
  112    HA   ARG  14           HA       ARG  14  -6.960  14.728   1.574
  113   1HB   ARG  14          1HB       ARG  14  -5.879  14.101   4.316
  114   2HB   ARG  14          2HB       ARG  14  -4.980  15.059   3.151
  115   1HG   ARG  14          1HG       ARG  14  -6.078  16.873   3.769
  116   2HG   ARG  14          2HG       ARG  14  -7.610  16.119   3.322
  117   1HD   ARG  14          1HD       ARG  14  -6.731  15.010   5.793
  118   2HD   ARG  14          2HD       ARG  14  -6.651  16.765   5.909
  119    HE   ARG  14           HE       ARG  14  -9.010  15.145   5.773
  120   1HH1  ARG  14          1HH1      ARG  14  -7.711  18.326   5.096
  121   2HH1  ARG  14          2HH1      ARG  14  -9.253  19.108   5.183
  122   1HH2  ARG  14          1HH2      ARG  14 -11.037  16.182   5.889
  123   2HH2  ARG  14          2HH2      ARG  14 -11.140  17.893   5.635
  124    H    SER  15           H        SER  15  -4.913  14.503   0.555
  125    HA   SER  15           HA       SER  15  -4.351  11.975  -0.466
  126   1HB   SER  15          1HB       SER  15  -2.335  14.220  -0.301
  127   2HB   SER  15          2HB       SER  15  -2.443  12.954  -1.523
  128    HG   SER  15           HG       SER  15  -3.358  14.741  -2.419
  129    H    ASP  16           H        ASP  16  -2.924  13.677   2.284
  130    HA   ASP  16           HA       ASP  16  -0.804  11.848   2.731
  131   1HB   ASP  16          1HB       ASP  16  -0.936  12.841   5.135
  132   2HB   ASP  16          2HB       ASP  16  -0.449  13.875   3.799
  133    H    HIS  17           H        HIS  17  -4.164  11.934   3.788
  134    HA   HIS  17           HA       HIS  17  -4.087  10.029   5.823
  135   1HB   HIS  17          1HB       HIS  17  -6.247  10.709   3.823
  136   2HB   HIS  17          2HB       HIS  17  -6.492   9.550   5.122
  137    HD1  HIS  17           HD1      HIS  17  -8.405  11.524   5.600
  138    HD2  HIS  17           HD2      HIS  17  -4.445  12.357   6.539
  139    HE1  HIS  17           HE1      HIS  17  -8.486  13.450   7.215
  140    HE2  HIS  17           HE2      HIS  17  -6.075  13.987   7.706
  141    H    LEU  18           H        LEU  18  -3.872   9.660   2.364
  142    HA   LEU  18           HA       LEU  18  -4.172   6.758   2.501
  143   1HB   LEU  18          1HB       LEU  18  -3.581   8.537   0.149
  144   2HB   LEU  18          2HB       LEU  18  -3.923   6.823   0.074
  145    HG   LEU  18           HG       LEU  18  -6.188   7.412   1.106
  146   1HD1  LEU  18          1HD1      LEU  18  -6.814   9.801   0.272
  147   2HD1  LEU  18          2HD1      LEU  18  -5.089  10.106   0.463
  148   3HD1  LEU  18          3HD1      LEU  18  -6.050   9.584   1.845
  149   1HD2  LEU  18          1HD2      LEU  18  -6.568   6.780  -0.998
  150   2HD2  LEU  18          2HD2      LEU  18  -5.172   7.667  -1.609
  151   3HD2  LEU  18          3HD2      LEU  18  -6.700   8.504  -1.341
  152    H    SER  19           H        SER  19  -1.806   9.165   1.384
  153    HA   SER  19           HA       SER  19   0.277   7.684   0.587
  154   1HB   SER  19          1HB       SER  19   0.425  10.098   0.644
  155   2HB   SER  19          2HB       SER  19   0.418  10.104   2.408
  156    HG   SER  19           HG       SER  19   2.525  10.267   1.854
  157    H    LYS  20           H        LYS  20  -0.580   8.162   3.999
  158    HA   LYS  20           HA       LYS  20   1.642   6.561   4.924
  159   1HB   LYS  20          1HB       LYS  20   0.479   8.521   6.160
  160   2HB   LYS  20          2HB       LYS  20  -0.741   7.330   6.591
  161   1HG   LYS  20          1HG       LYS  20   1.460   5.990   7.326
  162   2HG   LYS  20          2HG       LYS  20   2.028   7.646   7.554
  163   1HD   LYS  20          1HD       LYS  20  -0.064   8.064   8.891
  164   2HD   LYS  20          2HD       LYS  20  -0.370   6.327   8.816
  165   1HE   LYS  20          1HE       LYS  20   0.739   6.483  10.819
  166   2HE   LYS  20          2HE       LYS  20   2.082   6.163   9.722
  167   1HZ   LYS  20          1HZ       LYS  20   2.577   7.968  11.258
  168   2HZ   LYS  20          2HZ       LYS  20   1.252   8.849  10.685
  169   3HZ   LYS  20          3HZ       LYS  20   2.559   8.524   9.660
  170    H    HIS  21           H        HIS  21  -1.773   6.113   4.238
  171    HA   HIS  21           HA       HIS  21  -1.910   3.505   5.455
  172   1HB   HIS  21          1HB       HIS  21  -3.993   4.437   5.550
  173   2HB   HIS  21          2HB       HIS  21  -3.784   5.328   4.051
  174    HD1  HIS  21           HD1      HIS  21  -5.848   2.781   5.335
  175    HD2  HIS  21           HD2      HIS  21  -3.737   3.235   1.797
  176    HE1  HIS  21           HE1      HIS  21  -6.968   1.268   3.642
  177    H    ILE  22           H        ILE  22  -1.378   4.755   2.183
  178    HA   ILE  22           HA       ILE  22  -1.836   2.326   0.832
  179    HB   ILE  22           HB       ILE  22  -0.204   3.356  -0.915
  180   1HG1  ILE  22          1HG1      ILE  22  -0.881   6.028  -0.159
  181   2HG1  ILE  22          2HG1      ILE  22  -0.012   5.253   1.161
  182   1HG2  ILE  22          1HG2      ILE  22  -2.168   5.054  -1.458
  183   2HG2  ILE  22          2HG2      ILE  22  -2.981   4.121  -0.202
  184   3HG2  ILE  22          3HG2      ILE  22  -2.363   3.311  -1.642
  185   1HD1  ILE  22          1HD1      ILE  22   1.845   4.763  -0.264
  186   2HD1  ILE  22          2HD1      ILE  22   1.442   6.473  -0.426
  187   3HD1  ILE  22          3HD1      ILE  22   0.959   5.330  -1.679
  188    H    THR  23           H        THR  23   1.185   3.716   2.040
  189    HA   THR  23           HA       THR  23   2.924   1.812   1.062
  190    HB   THR  23           HB       THR  23   3.095   3.220   3.738
  191    HG1  THR  23           HG1      THR  23   3.184   4.865   2.422
  192   1HG2  THR  23          1HG2      THR  23   5.208   1.872   2.079
  193   2HG2  THR  23          2HG2      THR  23   4.768   1.549   3.756
  194   3HG2  THR  23          3HG2      THR  23   5.567   3.062   3.331
  195    H    LEU  24           H        LEU  24   0.637   1.450   3.656
  196    HA   LEU  24           HA       LEU  24   1.796  -1.156   4.381
  197   1HB   LEU  24          1HB       LEU  24   0.214  -1.083   6.294
  198   2HB   LEU  24          2HB       LEU  24   1.369   0.240   6.291
  199    HG   LEU  24           HG       LEU  24  -0.688   1.316   4.905
  200   1HD1  LEU  24          1HD1      LEU  24  -2.287   0.313   7.113
  201   2HD1  LEU  24          2HD1      LEU  24  -1.854  -0.929   5.939
  202   3HD1  LEU  24          3HD1      LEU  24  -2.700   0.529   5.409
  203   1HD2  LEU  24          1HD2      LEU  24  -0.417   1.423   7.901
  204   2HD2  LEU  24          2HD2      LEU  24  -1.105   2.659   6.847
  205   3HD2  LEU  24          3HD2      LEU  24   0.620   2.298   6.775
  206    H    HIS  25           H        HIS  25  -1.225   0.393   3.335
  207    HA   HIS  25           HA       HIS  25  -2.730  -1.990   3.222
  208   1HB   HIS  25          1HB       HIS  25  -4.398  -0.538   2.929
  209   2HB   HIS  25          2HB       HIS  25  -3.250   0.772   2.790
  210    HD1  HIS  25           HD1      HIS  25  -4.903  -1.798   0.508
  211    HD2  HIS  25           HD2      HIS  25  -3.385   2.073   0.450
  212    HE1  HIS  25           HE1      HIS  25  -5.465  -0.844  -1.762
  213    H    GLU  26           H        GLU  26  -0.479  -0.476   1.011
  214    HA   GLU  26           HA       GLU  26  -1.258  -1.960  -1.292
  215   1HB   GLU  26          1HB       GLU  26   0.759  -1.206  -2.301
  216   2HB   GLU  26          2HB       GLU  26   0.192   0.116  -1.294
  217   1HG   GLU  26          1HG       GLU  26   2.206   0.192  -0.385
  218   2HG   GLU  26          2HG       GLU  26   1.877  -1.373   0.352
  219    H    LEU  27           H        LEU  27   0.472  -2.706   1.612
  220    HA   LEU  27           HA       LEU  27   1.748  -5.072   0.477
  221   1HB   LEU  27          1HB       LEU  27   1.758  -3.724   3.140
  222   2HB   LEU  27          2HB       LEU  27   2.170  -5.427   3.073
  223   1HD1  LEU  27          1HD1      LEU  27   3.868  -6.114   1.342
  224   2HD1  LEU  27          2HD1      LEU  27   5.216  -5.016   1.047
  225   3HD1  LEU  27          3HD1      LEU  27   3.725  -4.851   0.119
  226   1HD2  LEU  27          1HD2      LEU  27   4.024  -2.684   0.637
  227   2HD2  LEU  27          2HD2      LEU  27   4.355  -2.156   2.286
  228   3HD2  LEU  27          3HD2      LEU  27   2.691  -2.255   1.710
  229    H    LEU  28           H        LEU  28  -0.191  -4.810   3.456
  230    HA   LEU  28           HA       LEU  28  -1.568  -7.290   2.683
  231   1HB   LEU  28          1HB       LEU  28  -0.787  -6.093   5.299
  232   2HB   LEU  28          2HB       LEU  28  -2.217  -7.106   5.244
  233    HG   LEU  28           HG       LEU  28  -0.505  -8.741   3.983
  234   1HD1  LEU  28          1HD1      LEU  28   1.351  -7.130   4.174
  235   2HD1  LEU  28          2HD1      LEU  28   1.683  -8.654   4.995
  236   3HD1  LEU  28          3HD1      LEU  28   1.229  -7.229   5.931
  237   1HD2  LEU  28          1HD2      LEU  28  -1.866  -9.269   5.953
  238   2HD2  LEU  28          2HD2      LEU  28  -0.696  -8.439   6.978
  239   3HD2  LEU  28          3HD2      LEU  28  -0.224  -9.895   6.103
  240    H    GLY  29           H        GLY  29  -3.807  -7.451   2.770
  241   1HA   GLY  29          1HA       GLY  29  -5.229  -4.867   2.973
  242   2HA   GLY  29          2HA       GLY  29  -5.691  -6.159   1.876
  243    H    GLU  30           H        GLU  30  -5.200  -5.578   5.364
  244    HA   GLU  30           HA       GLU  30  -7.585  -7.236   5.860
  245   1HB   GLU  30          1HB       GLU  30  -5.458  -8.267   6.648
  246   2HB   GLU  30          2HB       GLU  30  -5.217  -6.885   7.707
  247   1HG   GLU  30          1HG       GLU  30  -6.167  -8.963   8.768
  248   2HG   GLU  30          2HG       GLU  30  -7.047  -7.465   9.060
  249    H    GLU  31           H        GLU  31  -8.678  -5.126   5.515
  250    HA   GLU  31           HA       GLU  31  -8.518  -3.361   7.862
  251   1HB   GLU  31          1HB       GLU  31  -9.587  -1.660   6.513
  252   2HB   GLU  31          2HB       GLU  31  -8.205  -2.304   5.642
  253   1HG   GLU  31          1HG       GLU  31  -9.470  -3.167   3.992
  254   2HG   GLU  31          2HG       GLU  31 -10.794  -3.592   5.076
  255    H    ARG  32           H        ARG  32 -10.929  -2.189   7.963
  256    HA   ARG  32           HA       ARG  32 -12.556  -4.109   9.230
  257   1HB   ARG  32          1HB       ARG  32 -12.573  -1.709   9.807
  258   2HB   ARG  32          2HB       ARG  32 -13.317  -1.348   8.255
  259   1HG   ARG  32          1HG       ARG  32 -15.326  -1.685   9.114
  260   2HG   ARG  32          2HG       ARG  32 -14.882  -3.332   9.566
  261   1HD   ARG  32          1HD       ARG  32 -15.497  -2.347  11.588
  262   2HD   ARG  32          2HD       ARG  32 -13.736  -2.259  11.594
  263    HE   ARG  32           HE       ARG  32 -14.579   0.119  10.507
  264   1HH1  ARG  32          1HH1      ARG  32 -15.092  -1.565  13.533
  265   2HH1  ARG  32          2HH1      ARG  32 -15.302  -0.111  14.448
  266   1HH2  ARG  32          1HH2      ARG  32 -14.853   2.031  11.717
  267   2HH2  ARG  32          2HH2      ARG  32 -15.167   1.931  13.418
  268    H    ARG  33           H        ARG  33 -14.084  -5.437   8.490
  269    HA   ARG  33           HA       ARG  33 -14.565  -5.673   5.687
  270   1HB   ARG  33          1HB       ARG  33 -16.154  -7.481   6.360
  271   2HB   ARG  33          2HB       ARG  33 -14.531  -7.678   7.002
  272   1HG   ARG  33          1HG       ARG  33 -15.239  -7.597   9.113
  273   2HG   ARG  33          2HG       ARG  33 -16.290  -6.216   8.804
  274   1HD   ARG  33          1HD       ARG  33 -17.936  -7.763   7.778
  275   2HD   ARG  33          2HD       ARG  33 -16.901  -9.115   8.234
  276    HE   ARG  33           HE       ARG  33 -18.639  -7.595   9.952
  277   1HH1  ARG  33          1HH1      ARG  33 -15.811  -9.663   9.851
  278   2HH1  ARG  33          2HH1      ARG  33 -15.973 -10.166  11.500
  279   1HH2  ARG  33          1HH2      ARG  33 -18.842  -8.263  12.120
  280   2HH2  ARG  33          2HH2      ARG  33 -17.692  -9.373  12.788
  Start of MODEL   11
    1    H    TYR   1           H        TYR   1 -14.982  14.420   0.929
    2    HA   TYR   1           HA       TYR   1 -12.422  13.002   1.179
    3   1HB   TYR   1          1HB       TYR   1 -15.319  12.124   1.060
    4   2HB   TYR   1          2HB       TYR   1 -13.942  11.032   1.139
    5    HD1  TYR   1           HD1      TYR   1 -15.970  13.461   3.008
    6    HD2  TYR   1           HD2      TYR   1 -12.748  10.690   3.213
    7    HE1  TYR   1           HE1      TYR   1 -16.048  13.559   5.462
    8    HE2  TYR   1           HE2      TYR   1 -12.817  10.781   5.668
    9    HH   TYR   1           HH       TYR   1 -15.117  11.589   7.415
   10    H    LYS   2           H        LYS   2 -11.402  13.278  -0.757
   11    HA   LYS   2           HA       LYS   2 -12.695  12.135  -3.094
   12   1HB   LYS   2          1HB       LYS   2 -13.032  14.744  -2.913
   13   2HB   LYS   2          2HB       LYS   2 -11.381  14.787  -3.514
   14   1HG   LYS   2          1HG       LYS   2 -11.978  13.732  -5.531
   15   2HG   LYS   2          2HG       LYS   2 -13.553  13.245  -4.900
   16   1HD   LYS   2          1HD       LYS   2 -14.214  15.613  -4.778
   17   2HD   LYS   2          2HD       LYS   2 -12.652  16.072  -5.458
   18   1HE   LYS   2          1HE       LYS   2 -13.974  16.070  -7.339
   19   2HE   LYS   2          2HE       LYS   2 -13.330  14.430  -7.374
   20   1HZ   LYS   2          1HZ       LYS   2 -15.712  14.467  -7.791
   21   2HZ   LYS   2          2HZ       LYS   2 -15.988  15.215  -6.299
   22   3HZ   LYS   2          3HZ       LYS   2 -15.371  13.641  -6.353
   23    H    PHE   3           H        PHE   3 -10.786  10.835  -1.847
   24    HA   PHE   3           HA       PHE   3  -8.604  10.850  -3.738
   25   1HB   PHE   3          1HB       PHE   3  -8.136  12.451  -1.659
   26   2HB   PHE   3          2HB       PHE   3  -7.703  10.927  -0.894
   27    HD1  PHE   3           HD1      PHE   3  -6.816  13.361  -3.472
   28    HD2  PHE   3           HD2      PHE   3  -5.763   9.683  -1.623
   29    HE1  PHE   3           HE1      PHE   3  -4.588  13.480  -4.506
   30    HE2  PHE   3           HE2      PHE   3  -3.533   9.786  -2.648
   31    HZ   PHE   3           HZ       PHE   3  -2.942  11.692  -4.099
   32    H    ALA   4           H        ALA   4  -8.412   8.780  -4.280
   33    HA   ALA   4           HA       ALA   4  -8.761   6.742  -2.212
   34   1HB   ALA   4          1HB       ALA   4  -9.464   6.527  -5.130
   35   2HB   ALA   4          2HB       ALA   4 -10.604   6.694  -3.795
   36   3HB   ALA   4          3HB       ALA   4  -9.622   5.237  -3.938
   37    H    CYS   5           H        CYS   5  -7.347   5.016  -2.146
   38    HA   CYS   5           HA       CYS   5  -4.714   5.469  -3.036
   39   1HB   CYS   5          1HB       CYS   5  -5.859   2.811  -2.172
   40   2HB   CYS   5          2HB       CYS   5  -4.183   3.335  -2.078
   41    HG   CYS   5           HG       CYS   5  -6.025   3.585   0.135
   42    HA   PRO   6           HA       PRO   6  -4.595   3.710  -7.081
   43   1HB   PRO   6          1HB       PRO   6  -2.150   2.527  -7.126
   44   2HB   PRO   6          2HB       PRO   6  -2.374   4.279  -7.186
   45   1HG   PRO   6          1HG       PRO   6  -1.671   2.536  -4.856
   46   2HG   PRO   6          2HG       PRO   6  -1.003   4.114  -5.316
   47   1HD   PRO   6          1HD       PRO   6  -2.862   3.827  -3.370
   48   2HD   PRO   6          2HD       PRO   6  -2.768   5.272  -4.396
   49    H    GLU   7           H        GLU   7  -4.297   1.656  -4.300
   50    HA   GLU   7           HA       GLU   7  -4.665  -0.749  -5.931
   51   1HB   GLU   7          1HB       GLU   7  -2.874  -0.675  -4.164
   52   2HB   GLU   7          2HB       GLU   7  -4.150  -0.606  -2.963
   53   1HG   GLU   7          1HG       GLU   7  -5.018  -2.764  -4.006
   54   2HG   GLU   7          2HG       GLU   7  -3.460  -2.848  -4.825
   55    H    CYS   8           H        CYS   8  -6.111   0.853  -3.054
   56    HA   CYS   8           HA       CYS   8  -8.535  -0.741  -3.533
   57   1HB   CYS   8          1HB       CYS   8  -9.216  -0.279  -1.276
   58   2HB   CYS   8          2HB       CYS   8  -7.598  -0.917  -1.269
   59    HG   CYS   8           HG       CYS   8  -7.324   1.017   0.285
   60    HA   PRO   9           HA       PRO   9 -10.964   2.734  -4.562
   61   1HB   PRO   9          1HB       PRO   9 -13.391   1.815  -3.937
   62   2HB   PRO   9          2HB       PRO   9 -12.411   1.031  -5.182
   63   1HG   PRO   9          1HG       PRO   9 -12.906   0.198  -2.356
   64   2HG   PRO   9          2HG       PRO   9 -12.773  -0.801  -3.814
   65   1HD   PRO   9          1HD       PRO   9 -10.726  -0.356  -1.957
   66   2HD   PRO   9          2HD       PRO   9 -10.507  -0.972  -3.599
   67    H    LYS  10           H        LYS  10 -10.445   1.988  -1.312
   68    HA   LYS  10           HA       LYS  10 -12.350   3.344   0.129
   69   1HB   LYS  10          1HB       LYS  10  -9.453   2.776   0.575
   70   2HB   LYS  10          2HB       LYS  10 -10.279   3.861   1.682
   71   1HG   LYS  10          1HG       LYS  10 -11.314   1.115   1.043
   72   2HG   LYS  10          2HG       LYS  10 -10.165   1.424   2.346
   73   1HD   LYS  10          1HD       LYS  10 -11.896   1.895   3.664
   74   2HD   LYS  10          2HD       LYS  10 -12.190   3.325   2.673
   75   1HE   LYS  10          1HE       LYS  10 -14.227   2.318   2.490
   76   2HE   LYS  10          2HE       LYS  10 -13.408   1.561   1.125
   77   1HZ   LYS  10          1HZ       LYS  10 -12.918  -0.348   2.527
   78   2HZ   LYS  10          2HZ       LYS  10 -14.584  -0.067   2.463
   79   3HZ   LYS  10          3HZ       LYS  10 -13.705   0.381   3.836
   80    H    ARG  11           H        ARG  11 -12.923   5.383   0.404
   81    HA   ARG  11           HA       ARG  11 -11.300   7.475  -0.859
   82   1HB   ARG  11          1HB       ARG  11 -13.367   8.873  -0.660
   83   2HB   ARG  11          2HB       ARG  11 -13.550   7.452  -1.677
   84   1HG   ARG  11          1HG       ARG  11 -14.726   6.293   0.092
   85   2HG   ARG  11          2HG       ARG  11 -14.470   7.656   1.184
   86   1HD   ARG  11          1HD       ARG  11 -16.652   7.952   0.413
   87   2HD   ARG  11          2HD       ARG  11 -15.694   9.053  -0.577
   88    HE   ARG  11           HE       ARG  11 -16.069   6.464  -1.768
   89   1HH1  ARG  11          1HH1      ARG  11 -17.464   9.650  -1.364
   90   2HH1  ARG  11          2HH1      ARG  11 -18.416   9.551  -2.807
   91   1HH2  ARG  11          1HH2      ARG  11 -17.323   6.338  -3.667
   92   2HH2  ARG  11          2HH2      ARG  11 -18.336   7.670  -4.114
   93    H    PHE  12           H        PHE  12 -10.013   8.611   0.408
   94    HA   PHE  12           HA       PHE  12 -10.592   8.798   3.273
   95   1HB   PHE  12          1HB       PHE  12  -8.081   9.573   1.779
   96   2HB   PHE  12          2HB       PHE  12  -8.275   9.538   3.521
   97    HD1  PHE  12           HD1      PHE  12  -7.097   7.850   4.499
   98    HD2  PHE  12           HD2      PHE  12  -8.961   7.103   0.743
   99    HE1  PHE  12           HE1      PHE  12  -6.253   5.541   4.540
  100    HE2  PHE  12           HE2      PHE  12  -8.126   4.792   0.785
  101    HZ   PHE  12           HZ       PHE  12  -6.761   4.004   2.682
  102    H    MET  13           H        MET  13  -9.507  11.042   4.127
  103    HA   MET  13           HA       MET  13 -11.213  13.098   2.986
  104   1HB   MET  13          1HB       MET  13 -10.812  12.521   5.520
  105   2HB   MET  13          2HB       MET  13  -9.417  13.573   5.330
  106   1HG   MET  13          1HG       MET  13 -11.044  15.296   4.408
  107   2HG   MET  13          2HG       MET  13 -12.322  14.254   5.030
  108   1HE   MET  13          1HE       MET  13 -12.316  14.390   8.619
  109   2HE   MET  13          2HE       MET  13 -10.865  13.451   8.273
  110   3HE   MET  13          3HE       MET  13 -12.287  13.285   7.246
  111    H    ARG  14           H        ARG  14  -7.755  12.486   3.478
  112    HA   ARG  14           HA       ARG  14  -7.172  14.636   1.560
  113   1HB   ARG  14          1HB       ARG  14  -5.833  14.225   4.236
  114   2HB   ARG  14          2HB       ARG  14  -5.145  15.211   2.955
  115   1HG   ARG  14          1HG       ARG  14  -6.207  16.872   4.026
  116   2HG   ARG  14          2HG       ARG  14  -7.602  16.298   3.109
  117   1HD   ARG  14          1HD       ARG  14  -8.502  15.181   4.936
  118   2HD   ARG  14          2HD       ARG  14  -6.960  15.124   5.786
  119    HE   ARG  14           HE       ARG  14  -8.877  17.282   5.783
  120   1HH1  ARG  14          1HH1      ARG  14  -5.553  16.373   6.416
  121   2HH1  ARG  14          2HH1      ARG  14  -5.267  17.700   7.488
  122   1HH2  ARG  14          1HH2      ARG  14  -8.492  19.025   7.199
  123   2HH2  ARG  14          2HH2      ARG  14  -6.935  19.206   7.933
  124    H    SER  15           H        SER  15  -5.093  14.447   0.509
  125    HA   SER  15           HA       SER  15  -4.535  11.906  -0.475
  126   1HB   SER  15          1HB       SER  15  -3.862  13.867  -1.711
  127   2HB   SER  15          2HB       SER  15  -2.801  14.388  -0.404
  128    HG   SER  15           HG       SER  15  -1.814  13.254  -2.268
  129    H    ASP  16           H        ASP  16  -2.958  13.694   2.152
  130    HA   ASP  16           HA       ASP  16  -0.863  11.875   2.613
  131   1HB   ASP  16          1HB       ASP  16  -0.963  12.898   5.006
  132   2HB   ASP  16          2HB       ASP  16  -0.509  13.917   3.646
  133    H    HIS  17           H        HIS  17  -4.203  11.922   3.739
  134    HA   HIS  17           HA       HIS  17  -4.047  10.041   5.795
  135   1HB   HIS  17          1HB       HIS  17  -6.262  10.686   3.846
  136   2HB   HIS  17          2HB       HIS  17  -6.461   9.495   5.123
  137    HD1  HIS  17           HD1      HIS  17  -8.392  11.192   5.923
  138    HD2  HIS  17           HD2      HIS  17  -4.483  12.537   6.322
  139    HE1  HIS  17           HE1      HIS  17  -8.508  13.134   7.515
  140    HE2  HIS  17           HE2      HIS  17  -6.145  13.995   7.661
  141    H    LEU  18           H        LEU  18  -3.918   9.645   2.332
  142    HA   LEU  18           HA       LEU  18  -4.169   6.743   2.488
  143   1HB   LEU  18          1HB       LEU  18  -3.635   8.519   0.119
  144   2HB   LEU  18          2HB       LEU  18  -3.958   6.801   0.057
  145    HG   LEU  18           HG       LEU  18  -6.211   7.397   1.148
  146   1HD1  LEU  18          1HD1      LEU  18  -6.875   9.745   0.214
  147   2HD1  LEU  18          2HD1      LEU  18  -5.149  10.070   0.364
  148   3HD1  LEU  18          3HD1      LEU  18  -6.083   9.604   1.783
  149   1HD2  LEU  18          1HD2      LEU  18  -6.885   8.296  -1.282
  150   2HD2  LEU  18          2HD2      LEU  18  -6.503   6.609  -0.943
  151   3HD2  LEU  18          3HD2      LEU  18  -5.272   7.673  -1.625
  152    H    SER  19           H        SER  19  -1.844   9.176   1.348
  153    HA   SER  19           HA       SER  19   0.235   7.706   0.507
  154   1HB   SER  19          1HB       SER  19   0.382  10.114   0.542
  155   2HB   SER  19          2HB       SER  19   0.387  10.139   2.306
  156    HG   SER  19           HG       SER  19   2.449   9.692   2.298
  157    H    LYS  20           H        LYS  20  -0.586   8.148   3.928
  158    HA   LYS  20           HA       LYS  20   1.684   6.569   4.800
  159   1HB   LYS  20          1HB       LYS  20   0.372   8.537   6.031
  160   2HB   LYS  20          2HB       LYS  20  -0.590   7.192   6.628
  161   1HG   LYS  20          1HG       LYS  20   1.371   6.159   7.584
  162   2HG   LYS  20          2HG       LYS  20   2.401   7.416   6.898
  163   1HD   LYS  20          1HD       LYS  20   2.158   8.274   8.992
  164   2HD   LYS  20          2HD       LYS  20   0.723   8.980   8.247
  165   1HE   LYS  20          1HE       LYS  20  -0.709   7.563   9.341
  166   2HE   LYS  20          2HE       LYS  20   0.494   6.284   9.487
  167   1HZ   LYS  20          1HZ       LYS  20   1.607   7.557  11.199
  168   2HZ   LYS  20          2HZ       LYS  20  -0.011   7.307  11.624
  169   3HZ   LYS  20          3HZ       LYS  20   0.486   8.815  11.041
  170    H    HIS  21           H        HIS  21  -1.739   6.129   4.188
  171    HA   HIS  21           HA       HIS  21  -1.878   3.532   5.421
  172   1HB   HIS  21          1HB       HIS  21  -3.956   4.477   5.514
  173   2HB   HIS  21          2HB       HIS  21  -3.747   5.355   4.008
  174    HD1  HIS  21           HD1      HIS  21  -5.820   2.833   5.324
  175    HD2  HIS  21           HD2      HIS  21  -3.736   3.256   1.765
  176    HE1  HIS  21           HE1      HIS  21  -6.964   1.320   3.649
  177    H    ILE  22           H        ILE  22  -1.293   4.751   2.160
  178    HA   ILE  22           HA       ILE  22  -1.773   2.320   0.815
  179    HB   ILE  22           HB       ILE  22  -0.087   3.325  -0.913
  180   1HG1  ILE  22          1HG1      ILE  22  -0.831   6.000  -0.205
  181   2HG1  ILE  22          2HG1      ILE  22   0.035   5.254   1.133
  182   1HG2  ILE  22          1HG2      ILE  22  -2.015   4.912  -1.638
  183   2HG2  ILE  22          2HG2      ILE  22  -2.874   4.196  -0.275
  184   3HG2  ILE  22          3HG2      ILE  22  -2.293   3.171  -1.586
  185   1HD1  ILE  22          1HD1      ILE  22   1.047   5.316  -1.692
  186   2HD1  ILE  22          2HD1      ILE  22   1.923   4.796  -0.252
  187   3HD1  ILE  22          3HD1      ILE  22   1.482   6.491  -0.451
  188    H    THR  23           H        THR  23   1.248   3.676   2.061
  189    HA   THR  23           HA       THR  23   2.969   1.738   1.118
  190    HB   THR  23           HB       THR  23   3.350   3.923   2.572
  191    HG1  THR  23           HG1      THR  23   5.161   3.186   1.760
  192   1HG2  THR  23          1HG2      THR  23   3.869   1.828   4.655
  193   2HG2  THR  23          2HG2      THR  23   2.423   2.840   4.646
  194   3HG2  THR  23          3HG2      THR  23   4.017   3.581   4.797
  195    H    LEU  24           H        LEU  24   0.657   1.452   3.692
  196    HA   LEU  24           HA       LEU  24   1.745  -1.166   4.460
  197   1HB   LEU  24          1HB       LEU  24   0.149  -1.038   6.350
  198   2HB   LEU  24          2HB       LEU  24   1.312   0.278   6.335
  199    HG   LEU  24           HG       LEU  24  -0.713   1.359   4.916
  200   1HD1  LEU  24          1HD1      LEU  24  -1.938  -0.862   5.816
  201   2HD1  LEU  24          2HD1      LEU  24  -2.765   0.657   5.461
  202   3HD1  LEU  24          3HD1      LEU  24  -2.306   0.266   7.122
  203   1HD2  LEU  24          1HD2      LEU  24  -0.472   1.458   7.917
  204   2HD2  LEU  24          2HD2      LEU  24  -1.186   2.686   6.871
  205   3HD2  LEU  24          3HD2      LEU  24   0.545   2.359   6.792
  206    H    HIS  25           H        HIS  25  -1.248   0.401   3.352
  207    HA   HIS  25           HA       HIS  25  -2.751  -1.994   3.235
  208   1HB   HIS  25          1HB       HIS  25  -4.425  -0.535   2.992
  209   2HB   HIS  25          2HB       HIS  25  -3.281   0.778   2.832
  210    HD1  HIS  25           HD1      HIS  25  -5.102  -1.736   0.643
  211    HD2  HIS  25           HD2      HIS  25  -3.302   2.006   0.431
  212    HE1  HIS  25           HE1      HIS  25  -5.643  -0.812  -1.644
  213    H    GLU  26           H        GLU  26  -0.558  -0.402   1.020
  214    HA   GLU  26           HA       GLU  26  -1.340  -1.908  -1.284
  215   1HB   GLU  26          1HB       GLU  26  -0.083   0.264  -1.354
  216   2HB   GLU  26          2HB       GLU  26   1.323  -0.586  -0.727
  217   1HG   GLU  26          1HG       GLU  26   1.693  -0.488  -3.015
  218   2HG   GLU  26          2HG       GLU  26   1.078  -2.118  -2.749
  219    H    LEU  27           H        LEU  27   0.590  -2.490   1.524
  220    HA   LEU  27           HA       LEU  27   1.824  -4.871   0.311
  221   1HB   LEU  27          1HB       LEU  27   2.350  -3.367   2.867
  222   2HB   LEU  27          2HB       LEU  27   3.064  -4.933   2.538
  223   1HD1  LEU  27          1HD1      LEU  27   3.112  -2.401  -0.434
  224   2HD1  LEU  27          2HD1      LEU  27   4.131  -1.373   0.572
  225   3HD1  LEU  27          3HD1      LEU  27   2.474  -1.724   1.065
  226   1HD2  LEU  27          1HD2      LEU  27   5.732  -2.455   1.786
  227   2HD2  LEU  27          2HD2      LEU  27   5.351  -3.873   2.763
  228   3HD2  LEU  27          3HD2      LEU  27   4.546  -2.338   3.088
  229    H    LEU  28           H        LEU  28   0.584  -4.205   3.586
  230    HA   LEU  28           HA       LEU  28  -0.693  -6.853   3.584
  231   1HB   LEU  28          1HB       LEU  28  -0.605  -6.732   6.011
  232   2HB   LEU  28          2HB       LEU  28   0.988  -6.491   5.322
  233    HG   LEU  28           HG       LEU  28  -0.377  -3.962   5.751
  234   1HD1  LEU  28          1HD1      LEU  28  -1.490  -5.051   7.570
  235   2HD1  LEU  28          2HD1      LEU  28  -0.208  -4.034   8.227
  236   3HD1  LEU  28          3HD1      LEU  28   0.019  -5.779   8.119
  237   1HD2  LEU  28          1HD2      LEU  28   1.709  -3.378   6.797
  238   2HD2  LEU  28          2HD2      LEU  28   2.043  -4.297   5.330
  239   3HD2  LEU  28          3HD2      LEU  28   2.175  -5.075   6.907
  240    H    GLY  29           H        GLY  29  -2.516  -6.603   5.599
  241   1HA   GLY  29          1HA       GLY  29  -4.260  -4.349   4.868
  242   2HA   GLY  29          2HA       GLY  29  -4.877  -5.988   4.720
  243    H    GLU  30           H        GLU  30  -3.720  -3.549   6.990
  244    HA   GLU  30           HA       GLU  30  -5.362  -4.805   9.072
  245   1HB   GLU  30          1HB       GLU  30  -2.460  -4.028   9.312
  246   2HB   GLU  30          2HB       GLU  30  -3.502  -4.173  10.721
  247   1HG   GLU  30          1HG       GLU  30  -4.006  -6.525   9.946
  248   2HG   GLU  30          2HG       GLU  30  -2.687  -6.324   8.793
  249    H    GLU  31           H        GLU  31  -6.330  -2.738   7.689
  250    HA   GLU  31           HA       GLU  31  -5.806  -0.332   9.294
  251   1HB   GLU  31          1HB       GLU  31  -6.986  -0.721   6.551
  252   2HB   GLU  31          2HB       GLU  31  -7.164   0.792   7.430
  253   1HG   GLU  31          1HG       GLU  31  -4.504  -0.474   6.833
  254   2HG   GLU  31          2HG       GLU  31  -5.280   0.711   5.784
  255    H    ARG  32           H        ARG  32  -7.389   0.658  10.457
  256    HA   ARG  32           HA       ARG  32  -9.879  -0.852  10.792
  257   1HB   ARG  32          1HB       ARG  32 -10.132   0.375  12.903
  258   2HB   ARG  32          2HB       ARG  32  -8.586  -0.458  12.825
  259   1HG   ARG  32          1HG       ARG  32  -7.434   1.595  12.367
  260   2HG   ARG  32          2HG       ARG  32  -8.960   2.469  12.221
  261   1HD   ARG  32          1HD       ARG  32  -8.028   1.081  14.730
  262   2HD   ARG  32          2HD       ARG  32  -7.789   2.797  14.401
  263    HE   ARG  32           HE       ARG  32 -10.224   1.506  15.220
  264   1HH1  ARG  32          1HH1      ARG  32  -8.882   4.306  13.600
  265   2HH1  ARG  32          2HH1      ARG  32 -10.268   5.297  13.903
  266   1HH2  ARG  32          1HH2      ARG  32 -12.044   2.818  15.619
  267   2HH2  ARG  32          2HH2      ARG  32 -12.062   4.454  15.051
  268    H    ARG  33           H        ARG  33 -11.871   0.005  10.432
  269    HA   ARG  33           HA       ARG  33 -12.202   2.836   9.909
  270   1HB   ARG  33          1HB       ARG  33 -11.444   1.900   7.734
  271   2HB   ARG  33          2HB       ARG  33 -12.829   0.817   7.745
  272   1HG   ARG  33          1HG       ARG  33 -14.246   2.417   7.073
  273   2HG   ARG  33          2HG       ARG  33 -13.501   3.648   8.095
  274   1HD   ARG  33          1HD       ARG  33 -11.927   4.209   6.498
  275   2HD   ARG  33          2HD       ARG  33 -12.048   2.652   5.682
  276    HE   ARG  33           HE       ARG  33 -14.486   3.724   5.265
  277   1HH1  ARG  33          1HH1      ARG  33 -11.255   4.991   4.780
  278   2HH1  ARG  33          2HH1      ARG  33 -11.717   5.990   3.444
  279   1HH2  ARG  33          1HH2      ARG  33 -15.083   5.038   3.500
  280   2HH2  ARG  33          2HH2      ARG  33 -13.887   6.017   2.717
  Start of MODEL   12
    1    H    TYR   1           H        TYR   1 -14.020  14.415   1.213
    2    HA   TYR   1           HA       TYR   1 -12.874  11.713   1.453
    3   1HB   TYR   1          1HB       TYR   1 -15.640  12.868   1.663
    4   2HB   TYR   1          2HB       TYR   1 -15.421  11.218   1.092
    5    HD1  TYR   1           HD1      TYR   1 -14.769   9.460   2.599
    6    HD2  TYR   1           HD2      TYR   1 -15.032  13.479   3.966
    7    HE1  TYR   1           HE1      TYR   1 -14.637   8.671   4.923
    8    HE2  TYR   1           HE2      TYR   1 -14.899  12.703   6.293
    9    HH   TYR   1           HH       TYR   1 -13.764  10.117   7.310
   10    H    LYS   2           H        LYS   2 -11.690  12.612  -0.539
   11    HA   LYS   2           HA       LYS   2 -13.131  11.693  -2.874
   12   1HB   LYS   2          1HB       LYS   2 -12.876  14.495  -2.315
   13   2HB   LYS   2          2HB       LYS   2 -11.936  14.111  -3.749
   14   1HG   LYS   2          1HG       LYS   2 -14.810  13.302  -3.395
   15   2HG   LYS   2          2HG       LYS   2 -14.307  14.809  -4.160
   16   1HD   LYS   2          1HD       LYS   2 -12.966  12.413  -5.198
   17   2HD   LYS   2          2HD       LYS   2 -14.709  12.449  -5.467
   18   1HE   LYS   2          1HE       LYS   2 -13.925  13.527  -7.348
   19   2HE   LYS   2          2HE       LYS   2 -14.261  14.884  -6.273
   20   1HZ   LYS   2          1HZ       LYS   2 -11.585  13.636  -6.581
   21   2HZ   LYS   2          2HZ       LYS   2 -11.956  15.053  -5.736
   22   3HZ   LYS   2          3HZ       LYS   2 -12.088  15.016  -7.422
   23    H    PHE   3           H        PHE   3 -10.876  10.678  -1.451
   24    HA   PHE   3           HA       PHE   3  -8.942  10.664  -3.639
   25   1HB   PHE   3          1HB       PHE   3  -8.326  12.306  -1.674
   26   2HB   PHE   3          2HB       PHE   3  -7.862  10.824  -0.848
   27    HD1  PHE   3           HD1      PHE   3  -7.297  12.703  -4.011
   28    HD2  PHE   3           HD2      PHE   3  -5.751   9.933  -1.182
   29    HE1  PHE   3           HE1      PHE   3  -5.120  12.748  -5.156
   30    HE2  PHE   3           HE2      PHE   3  -3.573   9.963  -2.317
   31    HZ   PHE   3           HZ       PHE   3  -3.255  11.378  -4.311
   32    H    ALA   4           H        ALA   4  -8.681   8.616  -4.201
   33    HA   ALA   4           HA       ALA   4  -8.871   6.548  -2.143
   34   1HB   ALA   4          1HB       ALA   4  -9.557   6.330  -5.066
   35   2HB   ALA   4          2HB       ALA   4 -10.707   6.422  -3.732
   36   3HB   ALA   4          3HB       ALA   4  -9.649   5.020  -3.890
   37    H    CYS   5           H        CYS   5  -7.353   4.923  -2.071
   38    HA   CYS   5           HA       CYS   5  -4.751   5.510  -2.950
   39   1HB   CYS   5          1HB       CYS   5  -5.735   2.763  -2.184
   40   2HB   CYS   5          2HB       CYS   5  -4.111   3.415  -2.007
   41    HG   CYS   5           HG       CYS   5  -4.945   4.848  -0.021
   42    HA   PRO   6           HA       PRO   6  -4.443   3.924  -7.059
   43   1HB   PRO   6          1HB       PRO   6  -1.949   2.536  -6.276
   44   2HB   PRO   6          2HB       PRO   6  -2.203   3.785  -7.498
   45   1HG   PRO   6          1HG       PRO   6  -0.951   4.333  -5.200
   46   2HG   PRO   6          2HG       PRO   6  -2.039   5.509  -5.962
   47   1HD   PRO   6          1HD       PRO   6  -2.539   3.698  -3.630
   48   2HD   PRO   6          2HD       PRO   6  -3.022   5.391  -3.868
   49    H    GLU   7           H        GLU   7  -4.173   1.757  -4.328
   50    HA   GLU   7           HA       GLU   7  -4.627  -0.591  -6.002
   51   1HB   GLU   7          1HB       GLU   7  -2.918  -0.521  -4.108
   52   2HB   GLU   7          2HB       GLU   7  -4.288  -0.559  -3.012
   53   1HG   GLU   7          1HG       GLU   7  -4.845  -2.647  -4.675
   54   2HG   GLU   7          2HG       GLU   7  -3.085  -2.698  -4.593
   55    H    CYS   8           H        CYS   8  -6.100   0.866  -3.048
   56    HA   CYS   8           HA       CYS   8  -8.563  -0.581  -3.725
   57   1HB   CYS   8          1HB       CYS   8  -9.304  -0.234  -1.461
   58   2HB   CYS   8          2HB       CYS   8  -7.724  -0.962  -1.462
   59    HG   CYS   8           HG       CYS   8  -6.982   1.717  -1.014
   60    HA   PRO   9           HA       PRO   9 -10.852   3.029  -4.603
   61   1HB   PRO   9          1HB       PRO   9 -13.321   2.102  -4.215
   62   2HB   PRO   9          2HB       PRO   9 -12.272   1.403  -5.453
   63   1HG   PRO   9          1HG       PRO   9 -12.958   0.356  -2.739
   64   2HG   PRO   9          2HG       PRO   9 -12.750  -0.527  -4.262
   65   1HD   PRO   9          1HD       PRO   9 -10.814  -0.268  -2.252
   66   2HD   PRO   9          2HD       PRO   9 -10.505  -0.760  -3.923
   67    H    LYS  10           H        LYS  10 -10.400   2.129  -1.428
   68    HA   LYS  10           HA       LYS  10 -12.458   3.390  -0.024
   69   1HB   LYS  10          1HB       LYS  10 -10.104   2.029   0.616
   70   2HB   LYS  10          2HB       LYS  10  -9.904   3.623   1.330
   71   1HG   LYS  10          1HG       LYS  10 -12.517   2.342   1.782
   72   2HG   LYS  10          2HG       LYS  10 -11.132   1.565   2.551
   73   1HD   LYS  10          1HD       LYS  10 -10.941   3.194   4.070
   74   2HD   LYS  10          2HD       LYS  10 -11.083   4.457   2.846
   75   1HE   LYS  10          1HE       LYS  10 -13.477   2.914   3.798
   76   2HE   LYS  10          2HE       LYS  10 -12.885   4.325   4.673
   77   1HZ   LYS  10          1HZ       LYS  10 -13.829   4.247   1.860
   78   2HZ   LYS  10          2HZ       LYS  10 -13.114   5.599   2.582
   79   3HZ   LYS  10          3HZ       LYS  10 -14.587   5.009   3.165
   80    H    ARG  11           H        ARG  11 -13.009   5.437   0.179
   81    HA   ARG  11           HA       ARG  11 -11.147   7.532  -0.647
   82   1HB   ARG  11          1HB       ARG  11 -13.189   9.015  -0.474
   83   2HB   ARG  11          2HB       ARG  11 -13.267   7.761  -1.701
   84   1HG   ARG  11          1HG       ARG  11 -15.021   6.762  -0.739
   85   2HG   ARG  11          2HG       ARG  11 -14.366   6.954   0.888
   86   1HD   ARG  11          1HD       ARG  11 -16.348   8.242   0.815
   87   2HD   ARG  11          2HD       ARG  11 -15.010   9.387   0.731
   88    HE   ARG  11           HE       ARG  11 -15.698   8.826  -1.882
   89   1HH1  ARG  11          1HH1      ARG  11 -17.291  10.197   0.920
   90   2HH1  ARG  11          2HH1      ARG  11 -18.340  11.206  -0.018
   91   1HH2  ARG  11          1HH2      ARG  11 -17.081  10.159  -3.110
   92   2HH2  ARG  11          2HH2      ARG  11 -18.221  11.184  -2.306
   93    H    PHE  12           H        PHE  12  -9.976   8.523   0.841
   94    HA   PHE  12           HA       PHE  12 -10.749   8.343   3.644
   95   1HB   PHE  12          1HB       PHE  12  -8.208   9.407   2.385
   96   2HB   PHE  12          2HB       PHE  12  -8.486   9.224   4.110
   97    HD1  PHE  12           HD1      PHE  12  -7.275   7.506   5.001
   98    HD2  PHE  12           HD2      PHE  12  -8.944   7.009   1.118
   99    HE1  PHE  12           HE1      PHE  12  -6.351   5.230   4.894
  100    HE2  PHE  12           HE2      PHE  12  -8.026   4.735   1.009
  101    HZ   PHE  12           HZ       PHE  12  -6.726   3.835   2.897
  102    H    MET  13           H        MET  13  -8.848  11.085   2.713
  103    HA   MET  13           HA       MET  13 -11.020  12.948   2.528
  104   1HB   MET  13          1HB       MET  13  -9.861  12.352   5.118
  105   2HB   MET  13          2HB       MET  13  -9.602  14.036   4.688
  106   1HG   MET  13          1HG       MET  13 -11.928  14.431   4.476
  107   2HG   MET  13          2HG       MET  13 -12.294  12.710   4.568
  108   1HE   MET  13          1HE       MET  13 -10.512  11.808   7.512
  109   2HE   MET  13          2HE       MET  13 -11.762  11.270   6.388
  110   3HE   MET  13          3HE       MET  13 -12.189  11.690   8.047
  111    H    ARG  14           H        ARG  14  -7.582  12.603   3.359
  112    HA   ARG  14           HA       ARG  14  -6.947  14.700   1.384
  113   1HB   ARG  14          1HB       ARG  14  -5.575  14.176   4.030
  114   2HB   ARG  14          2HB       ARG  14  -5.022  15.325   2.821
  115   1HG   ARG  14          1HG       ARG  14  -6.576  16.863   3.373
  116   2HG   ARG  14          2HG       ARG  14  -7.806  15.651   3.736
  117   1HD   ARG  14          1HD       ARG  14  -7.425  16.151   5.882
  118   2HD   ARG  14          2HD       ARG  14  -5.944  15.214   5.699
  119    HE   ARG  14           HE       ARG  14  -4.722  17.165   5.723
  120   1HH1  ARG  14          1HH1      ARG  14  -8.130  17.939   5.486
  121   2HH1  ARG  14          2HH1      ARG  14  -7.894  19.624   5.802
  122   1HH2  ARG  14          1HH2      ARG  14  -4.420  19.386   6.140
  123   2HH2  ARG  14          2HH2      ARG  14  -5.789  20.446   6.172
  124    H    SER  15           H        SER  15  -4.834  14.486   0.373
  125    HA   SER  15           HA       SER  15  -4.308  11.928  -0.595
  126   1HB   SER  15          1HB       SER  15  -2.520  14.366  -0.509
  127   2HB   SER  15          2HB       SER  15  -2.152  12.907  -1.428
  128    HG   SER  15           HG       SER  15  -4.083  14.867  -1.884
  129    H    ASP  16           H        ASP  16  -2.810  13.681   2.094
  130    HA   ASP  16           HA       ASP  16  -0.748  11.809   2.592
  131   1HB   ASP  16          1HB       ASP  16  -0.717  12.887   4.905
  132   2HB   ASP  16          2HB       ASP  16  -0.426  13.945   3.531
  133    H    HIS  17           H        HIS  17  -4.102  12.006   3.663
  134    HA   HIS  17           HA       HIS  17  -4.072  10.183   5.770
  135   1HB   HIS  17          1HB       HIS  17  -6.177  10.900   3.741
  136   2HB   HIS  17          2HB       HIS  17  -6.477   9.657   4.947
  137    HD1  HIS  17           HD1      HIS  17  -8.381  11.243   5.855
  138    HD2  HIS  17           HD2      HIS  17  -4.514  12.704   6.257
  139    HE1  HIS  17           HE1      HIS  17  -8.547  13.138   7.499
  140    HE2  HIS  17           HE2      HIS  17  -6.186  13.978   7.762
  141    H    LEU  18           H        LEU  18  -4.051   9.660   2.299
  142    HA   LEU  18           HA       LEU  18  -4.288   6.770   2.573
  143   1HB   LEU  18          1HB       LEU  18  -3.831   8.481   0.144
  144   2HB   LEU  18          2HB       LEU  18  -4.112   6.758   0.123
  145    HG   LEU  18           HG       LEU  18  -6.369   7.216   1.133
  146   1HD1  LEU  18          1HD1      LEU  18  -7.168   9.600   0.568
  147   2HD1  LEU  18          2HD1      LEU  18  -5.456  10.024   0.629
  148   3HD1  LEU  18          3HD1      LEU  18  -6.250   9.351   2.053
  149   1HD2  LEU  18          1HD2      LEU  18  -5.386   7.649  -1.545
  150   2HD2  LEU  18          2HD2      LEU  18  -6.880   8.533  -1.242
  151   3HD2  LEU  18          3HD2      LEU  18  -6.826   6.788  -0.997
  152    H    SER  19           H        SER  19  -1.966   9.180   1.405
  153    HA   SER  19           HA       SER  19   0.102   7.702   0.516
  154   1HB   SER  19          1HB       SER  19   0.176  10.144   0.600
  155   2HB   SER  19          2HB       SER  19   0.339  10.099   2.355
  156    HG   SER  19           HG       SER  19   2.393  10.196   1.788
  157    H    LYS  20           H        LYS  20  -0.735   8.124   3.924
  158    HA   LYS  20           HA       LYS  20   1.552   6.592   4.824
  159   1HB   LYS  20          1HB       LYS  20  -0.836   7.762   6.258
  160   2HB   LYS  20          2HB       LYS  20   0.393   6.802   7.071
  161   1HG   LYS  20          1HG       LYS  20   2.074   8.414   6.628
  162   2HG   LYS  20          2HG       LYS  20   1.025   9.295   5.515
  163   1HD   LYS  20          1HD       LYS  20  -0.272  10.170   7.231
  164   2HD   LYS  20          2HD       LYS  20   0.224   8.922   8.376
  165   1HE   LYS  20          1HE       LYS  20   2.252  10.820   7.276
  166   2HE   LYS  20          2HE       LYS  20   1.181  11.345   8.572
  167   1HZ   LYS  20          1HZ       LYS  20   2.992   8.991   8.663
  168   2HZ   LYS  20          2HZ       LYS  20   1.949   9.471   9.905
  169   3HZ   LYS  20          3HZ       LYS  20   3.240  10.465   9.454
  170    H    HIS  21           H        HIS  21  -1.867   6.077   4.188
  171    HA   HIS  21           HA       HIS  21  -1.940   3.469   5.401
  172   1HB   HIS  21          1HB       HIS  21  -4.037   4.385   5.486
  173   2HB   HIS  21          2HB       HIS  21  -3.855   5.222   3.951
  174    HD1  HIS  21           HD1      HIS  21  -5.692   2.514   5.400
  175    HD2  HIS  21           HD2      HIS  21  -3.914   3.219   1.721
  176    HE1  HIS  21           HE1      HIS  21  -6.834   0.966   3.753
  177    H    ILE  22           H        ILE  22  -1.332   4.717   2.161
  178    HA   ILE  22           HA       ILE  22  -1.742   2.281   0.794
  179    HB   ILE  22           HB       ILE  22  -0.024   3.325  -0.887
  180   1HG1  ILE  22          1HG1      ILE  22  -0.876   5.976  -0.201
  181   2HG1  ILE  22          2HG1      ILE  22  -0.018   5.254   1.156
  182   1HG2  ILE  22          1HG2      ILE  22  -2.849   4.164  -0.349
  183   2HG2  ILE  22          2HG2      ILE  22  -2.225   3.081  -1.593
  184   3HG2  ILE  22          3HG2      ILE  22  -1.953   4.818  -1.719
  185   1HD1  ILE  22          1HD1      ILE  22   1.084   5.277  -1.631
  186   2HD1  ILE  22          2HD1      ILE  22   1.933   4.919  -0.127
  187   3HD1  ILE  22          3HD1      ILE  22   1.385   6.562  -0.461
  188    H    THR  23           H        THR  23   1.206   3.694   2.133
  189    HA   THR  23           HA       THR  23   2.974   1.759   1.221
  190    HB   THR  23           HB       THR  23   3.138   3.236   3.859
  191    HG1  THR  23           HG1      THR  23   4.044   3.990   1.277
  192   1HG2  THR  23          1HG2      THR  23   5.636   3.157   3.242
  193   2HG2  THR  23          2HG2      THR  23   5.179   1.793   2.222
  194   3HG2  THR  23          3HG2      THR  23   4.889   1.730   3.960
  195    H    LEU  24           H        LEU  24   0.572   1.452   3.679
  196    HA   LEU  24           HA       LEU  24   1.757  -1.081   4.601
  197   1HB   LEU  24          1HB       LEU  24   0.084  -0.950   6.438
  198   2HB   LEU  24          2HB       LEU  24   1.230   0.381   6.429
  199    HG   LEU  24           HG       LEU  24  -0.753   1.417   4.929
  200   1HD1  LEU  24          1HD1      LEU  24  -2.475   0.413   7.049
  201   2HD1  LEU  24          2HD1      LEU  24  -1.968  -0.828   5.903
  202   3HD1  LEU  24          3HD1      LEU  24  -2.793   0.622   5.325
  203   1HD2  LEU  24          1HD2      LEU  24  -1.338   2.746   6.861
  204   2HD2  LEU  24          2HD2      LEU  24   0.403   2.464   6.836
  205   3HD2  LEU  24          3HD2      LEU  24  -0.623   1.544   7.936
  206    H    HIS  25           H        HIS  25  -1.221   0.361   3.330
  207    HA   HIS  25           HA       HIS  25  -2.636  -2.102   3.229
  208   1HB   HIS  25          1HB       HIS  25  -4.367  -0.711   3.010
  209   2HB   HIS  25          2HB       HIS  25  -3.274   0.645   2.873
  210    HD1  HIS  25           HD1      HIS  25  -5.129  -1.828   0.683
  211    HD2  HIS  25           HD2      HIS  25  -3.245   1.872   0.451
  212    HE1  HIS  25           HE1      HIS  25  -5.705  -0.872  -1.586
  213    H    GLU  26           H        GLU  26  -0.525  -0.387   1.023
  214    HA   GLU  26           HA       GLU  26  -1.241  -1.996  -1.254
  215   1HB   GLU  26          1HB       GLU  26  -0.300   0.269  -1.527
  216   2HB   GLU  26          2HB       GLU  26   1.195  -0.265  -0.774
  217   1HG   GLU  26          1HG       GLU  26   1.518  -0.197  -3.132
  218   2HG   GLU  26          2HG       GLU  26   1.490  -1.885  -2.625
  219    H    LEU  27           H        LEU  27   0.715  -2.376   1.546
  220    HA   LEU  27           HA       LEU  27   2.310  -4.502   0.295
  221   1HB   LEU  27          1HB       LEU  27   2.494  -3.079   2.941
  222   2HB   LEU  27          2HB       LEU  27   3.420  -4.528   2.600
  223   1HD1  LEU  27          1HD1      LEU  27   4.417  -3.988  -0.244
  224   2HD1  LEU  27          2HD1      LEU  27   5.278  -4.535   1.194
  225   3HD1  LEU  27          3HD1      LEU  27   5.821  -3.094   0.336
  226   1HD2  LEU  27          1HD2      LEU  27   3.254  -2.009  -0.315
  227   2HD2  LEU  27          2HD2      LEU  27   4.136  -0.840   0.668
  228   3HD2  LEU  27          3HD2      LEU  27   2.518  -1.357   1.149
  229    H    LEU  28           H        LEU  28   0.542  -4.130   3.388
  230    HA   LEU  28           HA       LEU  28  -0.094  -6.998   3.268
  231   1HB   LEU  28          1HB       LEU  28   0.064  -5.055   5.564
  232   2HB   LEU  28          2HB       LEU  28  -0.669  -6.640   5.726
  233    HG   LEU  28           HG       LEU  28   2.127  -6.412   4.684
  234   1HD1  LEU  28          1HD1      LEU  28   2.980  -6.570   6.970
  235   2HD1  LEU  28          2HD1      LEU  28   1.343  -6.363   7.595
  236   3HD1  LEU  28          3HD1      LEU  28   2.118  -5.054   6.703
  237   1HD2  LEU  28          1HD2      LEU  28   0.723  -8.489   6.361
  238   2HD2  LEU  28          2HD2      LEU  28   2.346  -8.610   5.682
  239   3HD2  LEU  28          3HD2      LEU  28   0.945  -8.567   4.613
  240    H    GLY  29           H        GLY  29  -1.665  -4.051   4.577
  241   1HA   GLY  29          1HA       GLY  29  -3.799  -3.324   3.627
  242   2HA   GLY  29          2HA       GLY  29  -4.196  -5.019   3.393
  243    H    GLU  30           H        GLU  30  -4.336  -2.345   5.512
  244    HA   GLU  30           HA       GLU  30  -5.916  -3.901   7.396
  245   1HB   GLU  30          1HB       GLU  30  -4.681  -2.814   9.337
  246   2HB   GLU  30          2HB       GLU  30  -3.845  -4.115   8.504
  247   1HG   GLU  30          1HG       GLU  30  -2.125  -2.797   8.082
  248   2HG   GLU  30          2HG       GLU  30  -3.169  -1.633   7.268
  249    H    GLU  31           H        GLU  31  -7.754  -2.834   7.654
  250    HA   GLU  31           HA       GLU  31  -7.761   0.090   7.356
  251   1HB   GLU  31          1HB       GLU  31  -9.240  -1.587   5.951
  252   2HB   GLU  31          2HB       GLU  31 -10.274  -1.529   7.370
  253   1HG   GLU  31          1HG       GLU  31 -11.121   0.088   5.903
  254   2HG   GLU  31          2HG       GLU  31 -10.239   0.986   7.138
  255    H    ARG  32           H        ARG  32  -9.379  -2.453   9.284
  256    HA   ARG  32           HA       ARG  32  -9.958  -0.491  11.370
  257   1HB   ARG  32          1HB       ARG  32 -10.954  -3.224  10.705
  258   2HB   ARG  32          2HB       ARG  32 -11.053  -2.690  12.376
  259   1HG   ARG  32          1HG       ARG  32 -12.088  -0.899  10.237
  260   2HG   ARG  32          2HG       ARG  32 -13.038  -2.307  10.714
  261   1HD   ARG  32          1HD       ARG  32 -13.086  -1.553  13.005
  262   2HD   ARG  32          2HD       ARG  32 -12.005  -0.214  12.623
  263    HE   ARG  32           HE       ARG  32 -14.199   0.082  10.976
  264   1HH1  ARG  32          1HH1      ARG  32 -13.609   0.009  14.426
  265   2HH1  ARG  32          2HH1      ARG  32 -14.940   1.052  14.800
  266   1HH2  ARG  32          1HH2      ARG  32 -15.951   1.454  11.473
  267   2HH2  ARG  32          2HH2      ARG  32 -16.270   1.872  13.123
  268    H    ARG  33           H        ARG  33  -9.644  -1.200  13.671
  269    HA   ARG  33           HA       ARG  33  -6.897  -1.841  14.099
  270   1HB   ARG  33          1HB       ARG  33  -8.270  -0.274  15.513
  271   2HB   ARG  33          2HB       ARG  33  -9.088  -1.682  16.174
  272   1HG   ARG  33          1HG       ARG  33  -6.965  -2.513  17.048
  273   2HG   ARG  33          2HG       ARG  33  -6.139  -1.107  16.376
  274   1HD   ARG  33          1HD       ARG  33  -7.129   0.354  17.887
  275   2HD   ARG  33          2HD       ARG  33  -8.448  -0.757  18.248
  276    HE   ARG  33           HE       ARG  33  -5.829  -0.701  19.459
  277   1HH1  ARG  33          1HH1      ARG  33  -8.692  -2.633  18.869
  278   2HH1  ARG  33          2HH1      ARG  33  -8.404  -3.686  20.212
  279   1HH2  ARG  33          1HH2      ARG  33  -5.457  -2.093  21.224
  280   2HH2  ARG  33          2HH2      ARG  33  -6.570  -3.381  21.550
  Start of MODEL   13
    1    H    TYR   1           H        TYR   1 -13.278  15.039   0.087
    2    HA   TYR   1           HA       TYR   1 -12.550  12.902   0.877
    3   1HB   TYR   1          1HB       TYR   1 -15.454  12.703   1.416
    4   2HB   TYR   1          2HB       TYR   1 -14.716  11.256   0.742
    5    HD1  TYR   1           HD1      TYR   1 -13.646   9.747   2.153
    6    HD2  TYR   1           HD2      TYR   1 -14.285  13.733   3.500
    7    HE1  TYR   1           HE1      TYR   1 -12.836   9.117   4.387
    8    HE2  TYR   1           HE2      TYR   1 -13.477  13.112   5.735
    9    HH   TYR   1           HH       TYR   1 -13.400  10.488   7.006
   10    H    LYS   2           H        LYS   2 -11.656  13.203  -1.203
   11    HA   LYS   2           HA       LYS   2 -12.985  11.654  -3.274
   12   1HB   LYS   2          1HB       LYS   2 -12.947  14.519  -3.306
   13   2HB   LYS   2          2HB       LYS   2 -11.953  13.927  -4.627
   14   1HG   LYS   2          1HG       LYS   2 -14.598  12.652  -4.274
   15   2HG   LYS   2          2HG       LYS   2 -14.577  14.320  -4.846
   16   1HD   LYS   2          1HD       LYS   2 -14.532  13.048  -6.807
   17   2HD   LYS   2          2HD       LYS   2 -12.847  13.508  -6.560
   18   1HE   LYS   2          1HE       LYS   2 -12.862  11.206  -7.151
   19   2HE   LYS   2          2HE       LYS   2 -12.510  11.292  -5.426
   20   1HZ   LYS   2          1HZ       LYS   2 -14.687  10.609  -4.896
   21   2HZ   LYS   2          2HZ       LYS   2 -14.177   9.570  -6.130
   22   3HZ   LYS   2          3HZ       LYS   2 -15.244  10.835  -6.478
   23    H    PHE   3           H        PHE   3 -10.837  10.828  -1.853
   24    HA   PHE   3           HA       PHE   3  -8.752  10.759  -3.897
   25   1HB   PHE   3          1HB       PHE   3  -8.314  12.506  -1.979
   26   2HB   PHE   3          2HB       PHE   3  -7.892  11.076  -1.045
   27    HD1  PHE   3           HD1      PHE   3  -6.862  13.361  -3.659
   28    HD2  PHE   3           HD2      PHE   3  -5.997   9.669  -1.745
   29    HE1  PHE   3           HE1      PHE   3  -4.594  13.399  -4.615
   30    HE2  PHE   3           HE2      PHE   3  -3.727   9.690  -2.692
   31    HZ   PHE   3           HZ       PHE   3  -3.024  11.562  -4.134
   32    H    ALA   4           H        ALA   4  -8.784   8.651  -4.380
   33    HA   ALA   4           HA       ALA   4  -8.908   6.705  -2.207
   34   1HB   ALA   4          1HB       ALA   4 -10.729   6.518  -3.811
   35   2HB   ALA   4          2HB       ALA   4  -9.693   5.092  -3.865
   36   3HB   ALA   4          3HB       ALA   4  -9.563   6.323  -5.120
   37    H    CYS   5           H        CYS   5  -7.502   4.920  -2.170
   38    HA   CYS   5           HA       CYS   5  -4.840   5.448  -2.931
   39   1HB   CYS   5          1HB       CYS   5  -6.027   2.768  -2.185
   40   2HB   CYS   5          2HB       CYS   5  -4.333   3.232  -2.091
   41    HG   CYS   5           HG       CYS   5  -6.033   3.413   0.181
   42    HA   PRO   6           HA       PRO   6  -4.490   3.936  -7.064
   43   1HB   PRO   6          1HB       PRO   6  -1.987   2.568  -6.307
   44   2HB   PRO   6          2HB       PRO   6  -2.247   3.869  -7.472
   45   1HG   PRO   6          1HG       PRO   6  -1.020   4.306  -5.127
   46   2HG   PRO   6          2HG       PRO   6  -2.082   5.520  -5.866
   47   1HD   PRO   6          1HD       PRO   6  -2.637   3.633  -3.611
   48   2HD   PRO   6          2HD       PRO   6  -3.112   5.334  -3.802
   49    H    GLU   7           H        GLU   7  -4.218   1.724  -4.366
   50    HA   GLU   7           HA       GLU   7  -4.657  -0.585  -6.106
   51   1HB   GLU   7          1HB       GLU   7  -2.915  -0.448  -4.165
   52   2HB   GLU   7          2HB       GLU   7  -4.302  -0.771  -3.138
   53   1HG   GLU   7          1HG       GLU   7  -3.546  -2.521  -5.458
   54   2HG   GLU   7          2HG       GLU   7  -2.932  -2.765  -3.825
   55    H    CYS   8           H        CYS   8  -6.051   0.741  -3.055
   56    HA   CYS   8           HA       CYS   8  -8.501  -0.754  -3.657
   57   1HB   CYS   8          1HB       CYS   8  -9.161  -0.477  -1.385
   58   2HB   CYS   8          2HB       CYS   8  -7.514  -1.030  -1.406
   59    HG   CYS   8           HG       CYS   8  -7.367   0.821   0.269
   60    HA   PRO   9           HA       PRO   9 -10.955   2.748  -4.484
   61   1HB   PRO   9          1HB       PRO   9 -13.369   1.818  -3.816
   62   2HB   PRO   9          2HB       PRO   9 -12.429   1.080  -5.119
   63   1HG   PRO   9          1HG       PRO   9 -12.841   0.141  -2.313
   64   2HG   PRO   9          2HG       PRO   9 -12.758  -0.802  -3.810
   65   1HD   PRO   9          1HD       PRO   9 -10.656  -0.443  -2.004
   66   2HD   PRO   9          2HD       PRO   9 -10.486  -0.983  -3.678
   67    H    LYS  10           H        LYS  10 -10.307   1.961  -1.277
   68    HA   LYS  10           HA       LYS  10 -12.193   3.255   0.255
   69   1HB   LYS  10          1HB       LYS  10  -9.556   2.243   0.635
   70   2HB   LYS  10          2HB       LYS  10  -9.633   3.838   1.369
   71   1HG   LYS  10          1HG       LYS  10 -10.549   2.889   3.144
   72   2HG   LYS  10          2HG       LYS  10 -11.983   2.574   2.165
   73   1HD   LYS  10          1HD       LYS  10 -10.216   0.551   1.461
   74   2HD   LYS  10          2HD       LYS  10  -9.999   0.727   3.203
   75   1HE   LYS  10          1HE       LYS  10 -12.719   0.516   1.941
   76   2HE   LYS  10          2HE       LYS  10 -11.788  -0.908   2.399
   77   1HZ   LYS  10          1HZ       LYS  10 -12.671   1.267   4.220
   78   2HZ   LYS  10          2HZ       LYS  10 -11.711  -0.048   4.678
   79   3HZ   LYS  10          3HZ       LYS  10 -13.299  -0.304   4.155
   80    H    ARG  11           H        ARG  11 -12.812   5.277   0.537
   81    HA   ARG  11           HA       ARG  11 -11.290   7.410  -0.769
   82   1HB   ARG  11          1HB       ARG  11 -13.385   8.756  -0.451
   83   2HB   ARG  11          2HB       ARG  11 -13.568   7.349  -1.487
   84   1HG   ARG  11          1HG       ARG  11 -14.174   6.830   1.326
   85   2HG   ARG  11          2HG       ARG  11 -15.222   8.031   0.571
   86   1HD   ARG  11          1HD       ARG  11 -15.996   6.523  -1.033
   87   2HD   ARG  11          2HD       ARG  11 -14.643   5.422  -0.784
   88    HE   ARG  11           HE       ARG  11 -15.765   4.468   0.976
   89   1HH1  ARG  11          1HH1      ARG  11 -17.409   7.421   0.051
   90   2HH1  ARG  11          2HH1      ARG  11 -18.789   7.106   1.047
   91   1HH2  ARG  11          1HH2      ARG  11 -17.585   4.065   2.287
   92   2HH2  ARG  11          2HH2      ARG  11 -18.891   5.202   2.316
   93    H    PHE  12           H        PHE  12 -10.022   8.647   0.413
   94    HA   PHE  12           HA       PHE  12 -10.473   8.820   3.311
   95   1HB   PHE  12          1HB       PHE  12  -8.020   9.602   1.724
   96   2HB   PHE  12          2HB       PHE  12  -8.157   9.582   3.473
   97    HD1  PHE  12           HD1      PHE  12  -6.999   7.890   4.465
   98    HD2  PHE  12           HD2      PHE  12  -8.847   7.141   0.704
   99    HE1  PHE  12           HE1      PHE  12  -6.141   5.585   4.504
  100    HE2  PHE  12           HE2      PHE  12  -7.997   4.835   0.743
  101    HZ   PHE  12           HZ       PHE  12  -6.632   4.050   2.639
  102    H    MET  13           H        MET  13  -9.445  11.064   4.143
  103    HA   MET  13           HA       MET  13 -11.176  13.102   3.027
  104   1HB   MET  13          1HB       MET  13 -10.819  12.641   5.521
  105   2HB   MET  13          2HB       MET  13  -9.271  13.454   5.333
  106   1HG   MET  13          1HG       MET  13 -10.512  15.439   4.465
  107   2HG   MET  13          2HG       MET  13 -12.009  14.617   4.904
  108   1HE   MET  13          1HE       MET  13 -13.084  14.779   7.220
  109   2HE   MET  13          2HE       MET  13 -12.121  14.683   8.694
  110   3HE   MET  13          3HE       MET  13 -12.011  13.404   7.484
  111    H    ARG  14           H        ARG  14  -7.695  12.528   3.405
  112    HA   ARG  14           HA       ARG  14  -7.205  14.642   1.421
  113   1HB   ARG  14          1HB       ARG  14  -5.732  14.289   4.036
  114   2HB   ARG  14          2HB       ARG  14  -5.161  15.304   2.721
  115   1HG   ARG  14          1HG       ARG  14  -6.296  16.966   3.648
  116   2HG   ARG  14          2HG       ARG  14  -7.772  16.141   3.142
  117   1HD   ARG  14          1HD       ARG  14  -8.217  16.290   5.365
  118   2HD   ARG  14          2HD       ARG  14  -7.308  14.782   5.379
  119    HE   ARG  14           HE       ARG  14  -5.595  15.842   6.483
  120   1HH1  ARG  14          1HH1      ARG  14  -7.861  18.245   5.318
  121   2HH1  ARG  14          2HH1      ARG  14  -7.137  19.538   6.211
  122   1HH2  ARG  14          1HH2      ARG  14  -4.646  17.550   7.659
  123   2HH2  ARG  14          2HH2      ARG  14  -5.313  19.144   7.540
  124    H    SER  15           H        SER  15  -5.002  14.504   0.459
  125    HA   SER  15           HA       SER  15  -4.494  11.949  -0.570
  126   1HB   SER  15          1HB       SER  15  -3.835  13.972  -1.765
  127   2HB   SER  15          2HB       SER  15  -2.679  14.373  -0.495
  128    HG   SER  15           HG       SER  15  -1.321  12.958  -1.280
  129    H    ASP  16           H        ASP  16  -2.828  13.764   1.999
  130    HA   ASP  16           HA       ASP  16  -0.779  11.895   2.460
  131   1HB   ASP  16          1HB       ASP  16  -0.708  12.971   4.789
  132   2HB   ASP  16          2HB       ASP  16  -0.416  14.010   3.401
  133    H    HIS  17           H        HIS  17  -4.097  12.041   3.623
  134    HA   HIS  17           HA       HIS  17  -3.967  10.225   5.735
  135   1HB   HIS  17          1HB       HIS  17  -6.156  10.883   3.773
  136   2HB   HIS  17          2HB       HIS  17  -6.391   9.677   5.030
  137    HD1  HIS  17           HD1      HIS  17  -8.277  11.305   5.949
  138    HD2  HIS  17           HD2      HIS  17  -4.393  12.757   6.173
  139    HE1  HIS  17           HE1      HIS  17  -8.376  13.244   7.546
  140    HE2  HIS  17           HE2      HIS  17  -5.994  14.038   7.746
  141    H    LEU  18           H        LEU  18  -3.882   9.707   2.280
  142    HA   LEU  18           HA       LEU  18  -4.207   6.827   2.494
  143   1HB   LEU  18          1HB       LEU  18  -3.507   8.598   0.166
  144   2HB   LEU  18          2HB       LEU  18  -3.720   6.866   0.060
  145    HG   LEU  18           HG       LEU  18  -6.089   7.311   0.962
  146   1HD1  LEU  18          1HD1      LEU  18  -6.871   9.594   0.085
  147   2HD1  LEU  18          2HD1      LEU  18  -5.173  10.057   0.194
  148   3HD1  LEU  18          3HD1      LEU  18  -6.040   9.541   1.639
  149   1HD2  LEU  18          1HD2      LEU  18  -5.794   6.490  -1.213
  150   2HD2  LEU  18          2HD2      LEU  18  -5.080   8.002  -1.770
  151   3HD2  LEU  18          3HD2      LEU  18  -6.802   7.923  -1.394
  152    H    SER  19           H        SER  19  -1.725   9.136   1.450
  153    HA   SER  19           HA       SER  19   0.344   7.603   0.763
  154   1HB   SER  19          1HB       SER  19   0.667   9.955   0.768
  155   2HB   SER  19          2HB       SER  19   0.381  10.072   2.505
  156    HG   SER  19           HG       SER  19   2.397   9.556   2.866
  157    H    LYS  20           H        LYS  20  -0.607   8.134   4.143
  158    HA   LYS  20           HA       LYS  20   1.525   6.496   5.181
  159   1HB   LYS  20          1HB       LYS  20   0.515   8.395   6.446
  160   2HB   LYS  20          2HB       LYS  20  -0.975   7.472   6.576
  161   1HG   LYS  20          1HG       LYS  20   1.350   5.989   7.499
  162   2HG   LYS  20          2HG       LYS  20   1.090   7.490   8.389
  163   1HD   LYS  20          1HD       LYS  20  -1.169   6.842   8.920
  164   2HD   LYS  20          2HD       LYS  20  -1.036   5.405   7.904
  165   1HE   LYS  20          1HE       LYS  20   0.957   5.751  10.077
  166   2HE   LYS  20          2HE       LYS  20  -0.689   5.325  10.540
  167   1HZ   LYS  20          1HZ       LYS  20  -0.583   3.371   9.200
  168   2HZ   LYS  20          2HZ       LYS  20   0.794   3.393  10.181
  169   3HZ   LYS  20          3HZ       LYS  20   0.914   3.816   8.548
  170    H    HIS  21           H        HIS  21  -1.832   6.042   4.267
  171    HA   HIS  21           HA       HIS  21  -2.016   3.421   5.472
  172   1HB   HIS  21          1HB       HIS  21  -4.097   4.378   5.515
  173   2HB   HIS  21          2HB       HIS  21  -3.850   5.251   4.011
  174    HD1  HIS  21           HD1      HIS  21  -5.999   2.786   5.251
  175    HD2  HIS  21           HD2      HIS  21  -3.707   3.065   1.804
  176    HE1  HIS  21           HE1      HIS  21  -7.072   1.242   3.557
  177    H    ILE  22           H        ILE  22  -1.536   4.725   2.194
  178    HA   ILE  22           HA       ILE  22  -1.897   2.315   0.820
  179    HB   ILE  22           HB       ILE  22  -0.265   3.373  -0.899
  180   1HG1  ILE  22          1HG1      ILE  22  -0.896   6.040  -0.172
  181   2HG1  ILE  22          2HG1      ILE  22  -0.144   5.266   1.219
  182   1HG2  ILE  22          1HG2      ILE  22  -2.259   5.139  -1.320
  183   2HG2  ILE  22          2HG2      ILE  22  -3.047   4.030  -0.200
  184   3HG2  ILE  22          3HG2      ILE  22  -2.368   3.422  -1.709
  185   1HD1  ILE  22          1HD1      ILE  22   1.071   5.116  -1.511
  186   2HD1  ILE  22          2HD1      ILE  22   1.834   4.830   0.052
  187   3HD1  ILE  22          3HD1      ILE  22   1.379   6.466  -0.420
  188    H    THR  23           H        THR  23   1.102   3.714   2.071
  189    HA   THR  23           HA       THR  23   2.894   1.895   1.084
  190    HB   THR  23           HB       THR  23   2.871   3.176   3.826
  191    HG1  THR  23           HG1      THR  23   4.152   3.913   1.404
  192   1HG2  THR  23          1HG2      THR  23   4.460   1.422   3.980
  193   2HG2  THR  23          2HG2      THR  23   5.352   2.921   3.718
  194   3HG2  THR  23          3HG2      THR  23   5.115   1.791   2.385
  195    H    LEU  24           H        LEU  24   0.792   1.467   3.900
  196    HA   LEU  24           HA       LEU  24   1.809  -1.224   4.369
  197   1HB   LEU  24          1HB       LEU  24   0.218  -1.240   6.261
  198   2HB   LEU  24          2HB       LEU  24   1.338   0.114   6.322
  199    HG   LEU  24           HG       LEU  24  -0.735   1.175   4.937
  200   1HD1  LEU  24          1HD1      LEU  24  -2.724   0.315   5.396
  201   2HD1  LEU  24          2HD1      LEU  24  -2.330   0.088   7.103
  202   3HD1  LEU  24          3HD1      LEU  24  -1.847  -1.125   5.917
  203   1HD2  LEU  24          1HD2      LEU  24  -0.522   1.225   7.938
  204   2HD2  LEU  24          2HD2      LEU  24  -1.177   2.479   6.885
  205   3HD2  LEU  24          3HD2      LEU  24   0.549   2.120   6.861
  206    H    HIS  25           H        HIS  25  -1.196   0.361   3.326
  207    HA   HIS  25           HA       HIS  25  -2.705  -2.015   3.134
  208   1HB   HIS  25          1HB       HIS  25  -4.344  -0.515   2.912
  209   2HB   HIS  25          2HB       HIS  25  -3.185   0.775   2.684
  210    HD1  HIS  25           HD1      HIS  25  -4.945  -1.856   0.562
  211    HD2  HIS  25           HD2      HIS  25  -3.395   1.994   0.306
  212    HE1  HIS  25           HE1      HIS  25  -5.582  -0.978  -1.720
  213    H    GLU  26           H        GLU  26  -0.432  -0.459   0.994
  214    HA   GLU  26           HA       GLU  26  -1.154  -1.847  -1.375
  215   1HB   GLU  26          1HB       GLU  26   0.317   0.179  -1.294
  216   2HB   GLU  26          2HB       GLU  26   1.582  -0.817  -0.589
  217   1HG   GLU  26          1HG       GLU  26   1.956  -0.515  -2.955
  218   2HG   GLU  26          2HG       GLU  26   1.604  -2.205  -2.596
  219    H    LEU  27           H        LEU  27   0.531  -2.713   1.533
  220    HA   LEU  27           HA       LEU  27   1.676  -5.122   0.324
  221   1HB   LEU  27          1HB       LEU  27   1.736  -4.258   3.217
  222   2HB   LEU  27          2HB       LEU  27   2.692  -5.531   2.486
  223   1HD1  LEU  27          1HD1      LEU  27   4.352  -1.967   3.066
  224   2HD1  LEU  27          2HD1      LEU  27   4.271  -3.478   3.972
  225   3HD1  LEU  27          3HD1      LEU  27   2.830  -2.475   3.798
  226   1HD2  LEU  27          1HD2      LEU  27   5.327  -3.526   1.186
  227   2HD2  LEU  27          2HD2      LEU  27   4.291  -4.811   0.569
  228   3HD2  LEU  27          3HD2      LEU  27   4.992  -4.942   2.182
  229    H    LEU  28           H        LEU  28  -0.021  -4.761   3.435
  230    HA   LEU  28           HA       LEU  28  -1.592  -7.160   2.779
  231   1HB   LEU  28          1HB       LEU  28  -0.968  -5.933   5.468
  232   2HB   LEU  28          2HB       LEU  28  -1.902  -7.394   5.210
  233    HG   LEU  28           HG       LEU  28   0.454  -7.956   3.898
  234   1HD1  LEU  28          1HD1      LEU  28   1.491  -5.930   4.802
  235   2HD1  LEU  28          2HD1      LEU  28   2.253  -7.391   5.428
  236   3HD1  LEU  28          3HD1      LEU  28   1.130  -6.480   6.438
  237   1HD2  LEU  28          1HD2      LEU  28   0.910  -9.422   5.820
  238   2HD2  LEU  28          2HD2      LEU  28  -0.778  -9.490   5.310
  239   3HD2  LEU  28          3HD2      LEU  28  -0.327  -8.569   6.745
  240    H    GLY  29           H        GLY  29  -3.789  -7.177   4.032
  241   1HA   GLY  29          1HA       GLY  29  -5.567  -5.721   4.912
  242   2HA   GLY  29          2HA       GLY  29  -5.054  -4.519   3.739
  243    H    GLU  30           H        GLU  30  -7.503  -6.469   4.376
  244    HA   GLU  30           HA       GLU  30  -7.928  -7.583   1.726
  245   1HB   GLU  30          1HB       GLU  30  -9.952  -8.556   2.656
  246   2HB   GLU  30          2HB       GLU  30  -8.589  -8.870   3.719
  247   1HG   GLU  30          1HG       GLU  30  -9.585  -6.551   4.758
  248   2HG   GLU  30          2HG       GLU  30 -11.046  -7.364   4.201
  249    H    GLU  31           H        GLU  31  -9.328  -6.830   0.205
  250    HA   GLU  31           HA       GLU  31 -10.362  -4.133   0.600
  251   1HB   GLU  31          1HB       GLU  31 -10.044  -5.876  -1.841
  252   2HB   GLU  31          2HB       GLU  31 -10.894  -4.338  -1.884
  253   1HG   GLU  31          1HG       GLU  31  -8.911  -3.152  -1.251
  254   2HG   GLU  31          2HG       GLU  31  -8.041  -4.663  -0.990
  255    H    ARG  32           H        ARG  32 -12.468  -3.610   0.761
  256    HA   ARG  32           HA       ARG  32 -14.377  -5.703   1.225
  257   1HB   ARG  32          1HB       ARG  32 -14.094  -3.094   2.083
  258   2HB   ARG  32          2HB       ARG  32 -15.464  -2.999   0.985
  259   1HG   ARG  32          1HG       ARG  32 -16.142  -5.186   2.410
  260   2HG   ARG  32          2HG       ARG  32 -15.235  -4.277   3.621
  261   1HD   ARG  32          1HD       ARG  32 -16.700  -2.473   3.546
  262   2HD   ARG  32          2HD       ARG  32 -17.340  -2.932   1.968
  263    HE   ARG  32           HE       ARG  32 -18.173  -3.927   4.553
  264   1HH1  ARG  32          1HH1      ARG  32 -18.226  -4.439   1.087
  265   2HH1  ARG  32          2HH1      ARG  32 -19.616  -5.469   1.138
  266   1HH2  ARG  32          1HH2      ARG  32 -20.003  -5.285   4.611
  267   2HH2  ARG  32          2HH2      ARG  32 -20.626  -5.949   3.138
  268    H    ARG  33           H        ARG  33 -16.564  -5.669   0.230
  269    HA   ARG  33           HA       ARG  33 -16.402  -5.973  -2.572
  270   1HB   ARG  33          1HB       ARG  33 -18.047  -7.028  -0.836
  271   2HB   ARG  33          2HB       ARG  33 -19.022  -5.602  -1.158
  272   1HG   ARG  33          1HG       ARG  33 -18.098  -6.923  -3.584
  273   2HG   ARG  33          2HG       ARG  33 -19.093  -7.957  -2.560
  274   1HD   ARG  33          1HD       ARG  33 -20.820  -6.970  -3.592
  275   2HD   ARG  33          2HD       ARG  33 -20.495  -5.624  -2.501
  276    HE   ARG  33           HE       ARG  33 -18.876  -5.177  -4.662
  277   1HH1  ARG  33          1HH1      ARG  33 -22.322  -5.618  -4.209
  278   2HH1  ARG  33          2HH1      ARG  33 -22.748  -4.625  -5.563
  279   1HH2  ARG  33          1HH2      ARG  33 -19.446  -3.872  -6.441
  280   2HH2  ARG  33          2HH2      ARG  33 -21.118  -3.634  -6.829
  Start of MODEL   14
    1    H    TYR   1           H        TYR   1 -12.834  15.379  -0.032
    2    HA   TYR   1           HA       TYR   1 -11.989  13.407   0.836
    3   1HB   TYR   1          1HB       TYR   1 -13.906  11.540   1.118
    4   2HB   TYR   1          2HB       TYR   1 -13.358  12.550   2.448
    5    HD1  TYR   1           HD1      TYR   1 -14.834  14.057   3.522
    6    HD2  TYR   1           HD2      TYR   1 -16.035  12.142  -0.082
    7    HE1  TYR   1           HE1      TYR   1 -17.131  14.857   3.871
    8    HE2  TYR   1           HE2      TYR   1 -18.336  12.937   0.257
    9    HH   TYR   1           HH       TYR   1 -19.633  13.777   2.844
   10    H    LYS   2           H        LYS   2 -11.448  13.841  -1.438
   11    HA   LYS   2           HA       LYS   2 -12.722  11.859  -3.201
   12   1HB   LYS   2          1HB       LYS   2 -13.202  14.414  -3.629
   13   2HB   LYS   2          2HB       LYS   2 -11.601  14.385  -4.352
   14   1HG   LYS   2          1HG       LYS   2 -13.148  12.170  -5.316
   15   2HG   LYS   2          2HG       LYS   2 -14.038  13.676  -5.536
   16   1HD   LYS   2          1HD       LYS   2 -12.808  14.031  -7.359
   17   2HD   LYS   2          2HD       LYS   2 -11.424  14.278  -6.293
   18   1HE   LYS   2          1HE       LYS   2 -10.537  12.600  -7.518
   19   2HE   LYS   2          2HE       LYS   2 -11.449  11.592  -6.397
   20   1HZ   LYS   2          1HZ       LYS   2 -12.367  12.469  -9.084
   21   2HZ   LYS   2          2HZ       LYS   2 -13.260  11.518  -8.007
   22   3HZ   LYS   2          3HZ       LYS   2 -11.828  10.917  -8.677
   23    H    PHE   3           H        PHE   3 -10.684  10.961  -1.860
   24    HA   PHE   3           HA       PHE   3  -8.521  10.833  -3.822
   25   1HB   PHE   3          1HB       PHE   3  -8.157  12.479  -1.746
   26   2HB   PHE   3          2HB       PHE   3  -7.701  10.974  -0.961
   27    HD1  PHE   3           HD1      PHE   3  -6.805  13.434  -3.505
   28    HD2  PHE   3           HD2      PHE   3  -5.722   9.766  -1.655
   29    HE1  PHE   3           HE1      PHE   3  -4.553  13.609  -4.477
   30    HE2  PHE   3           HE2      PHE   3  -3.468   9.923  -2.619
   31    HZ   PHE   3           HZ       PHE   3  -2.881  11.853  -4.039
   32    H    ALA   4           H        ALA   4  -8.531   8.739  -4.353
   33    HA   ALA   4           HA       ALA   4  -8.838   6.750  -2.232
   34   1HB   ALA   4          1HB       ALA   4  -9.670   5.210  -3.951
   35   2HB   ALA   4          2HB       ALA   4  -9.507   6.489  -5.154
   36   3HB   ALA   4          3HB       ALA   4 -10.659   6.665  -3.831
   37    H    CYS   5           H        CYS   5  -7.454   4.987  -2.138
   38    HA   CYS   5           HA       CYS   5  -4.792   5.404  -2.941
   39   1HB   CYS   5          1HB       CYS   5  -6.081   2.794  -2.119
   40   2HB   CYS   5          2HB       CYS   5  -4.360   3.164  -2.091
   41    HG   CYS   5           HG       CYS   5  -5.998   3.505   0.221
   42    HA   PRO   6           HA       PRO   6  -4.601   3.790  -7.046
   43   1HB   PRO   6          1HB       PRO   6  -2.022   2.528  -6.433
   44   2HB   PRO   6          2HB       PRO   6  -2.385   3.855  -7.539
   45   1HG   PRO   6          1HG       PRO   6  -1.048   4.232  -5.225
   46   2HG   PRO   6          2HG       PRO   6  -2.128   5.459  -5.912
   47   1HD   PRO   6          1HD       PRO   6  -2.617   3.546  -3.664
   48   2HD   PRO   6          2HD       PRO   6  -3.097   5.247  -3.822
   49    H    GLU   7           H        GLU   7  -4.280   1.717  -4.280
   50    HA   GLU   7           HA       GLU   7  -4.595  -0.695  -5.890
   51   1HB   GLU   7          1HB       GLU   7  -4.086  -0.380  -2.933
   52   2HB   GLU   7          2HB       GLU   7  -4.126  -1.895  -3.808
   53   1HG   GLU   7          1HG       GLU   7  -1.877  -1.526  -3.672
   54   2HG   GLU   7          2HG       GLU   7  -2.241  -0.798  -5.234
   55    H    CYS   8           H        CYS   8  -6.113   0.842  -3.009
   56    HA   CYS   8           HA       CYS   8  -8.522  -0.750  -3.558
   57   1HB   CYS   8          1HB       CYS   8  -9.233  -0.329  -1.303
   58   2HB   CYS   8          2HB       CYS   8  -7.610  -0.950  -1.288
   59    HG   CYS   8           HG       CYS   8  -8.116   2.091  -0.890
   60    HA   PRO   9           HA       PRO   9 -10.973   2.702  -4.591
   61   1HB   PRO   9          1HB       PRO   9 -13.401   1.804  -3.924
   62   2HB   PRO   9          2HB       PRO   9 -12.444   1.019  -5.185
   63   1HG   PRO   9          1HG       PRO   9 -12.904   0.180  -2.356
   64   2HG   PRO   9          2HG       PRO   9 -12.790  -0.815  -3.818
   65   1HD   PRO   9          1HD       PRO   9 -10.724  -0.392  -1.985
   66   2HD   PRO   9          2HD       PRO   9 -10.520  -0.988  -3.635
   67    H    LYS  10           H        LYS  10 -10.681   1.839  -1.271
   68    HA   LYS  10           HA       LYS  10 -12.507   3.291   0.106
   69   1HB   LYS  10          1HB       LYS  10  -9.777   2.386   0.612
   70   2HB   LYS  10          2HB       LYS  10 -10.199   3.827   1.525
   71   1HG   LYS  10          1HG       LYS  10 -12.002   1.436   1.490
   72   2HG   LYS  10          2HG       LYS  10 -10.622   1.532   2.586
   73   1HD   LYS  10          1HD       LYS  10 -12.091   2.531   3.969
   74   2HD   LYS  10          2HD       LYS  10 -11.768   3.960   2.984
   75   1HE   LYS  10          1HE       LYS  10 -13.692   3.338   1.546
   76   2HE   LYS  10          2HE       LYS  10 -14.041   2.006   2.646
   77   1HZ   LYS  10          1HZ       LYS  10 -15.416   3.910   3.150
   78   2HZ   LYS  10          2HZ       LYS  10 -14.055   4.893   3.344
   79   3HZ   LYS  10          3HZ       LYS  10 -14.345   3.627   4.429
   80    H    ARG  11           H        ARG  11 -13.025   5.333   0.442
   81    HA   ARG  11           HA       ARG  11 -11.431   7.416  -0.861
   82   1HB   ARG  11          1HB       ARG  11 -13.445   8.829  -0.630
   83   2HB   ARG  11          2HB       ARG  11 -13.765   7.353  -1.526
   84   1HG   ARG  11          1HG       ARG  11 -14.303   6.846   1.214
   85   2HG   ARG  11          2HG       ARG  11 -15.088   8.360   0.768
   86   1HD   ARG  11          1HD       ARG  11 -16.708   6.815   0.226
   87   2HD   ARG  11          2HD       ARG  11 -15.883   7.020  -1.317
   88    HE   ARG  11           HE       ARG  11 -15.625   4.716   0.491
   89   1HH1  ARG  11          1HH1      ARG  11 -15.080   6.166  -2.659
   90   2HH1  ARG  11          2HH1      ARG  11 -14.598   4.674  -3.390
   91   1HH2  ARG  11          1HH2      ARG  11 -14.983   2.765  -0.487
   92   2HH2  ARG  11          2HH2      ARG  11 -14.543   2.748  -2.162
   93    H    PHE  12           H        PHE  12 -10.117   8.603   0.329
   94    HA   PHE  12           HA       PHE  12 -10.530   8.742   3.230
   95   1HB   PHE  12          1HB       PHE  12  -8.120   9.540   1.587
   96   2HB   PHE  12          2HB       PHE  12  -8.211   9.554   3.337
   97    HD1  PHE  12           HD1      PHE  12  -7.005   7.894   4.321
   98    HD2  PHE  12           HD2      PHE  12  -8.982   7.048   0.646
   99    HE1  PHE  12           HE1      PHE  12  -6.135   5.596   4.385
  100    HE2  PHE  12           HE2      PHE  12  -8.120   4.745   0.710
  101    HZ   PHE  12           HZ       PHE  12  -6.684   4.011   2.578
  102    H    MET  13           H        MET  13  -9.399  11.021   4.012
  103    HA   MET  13           HA       MET  13 -11.163  13.058   2.872
  104   1HB   MET  13          1HB       MET  13  -9.816  12.688   5.512
  105   2HB   MET  13          2HB       MET  13 -10.232  14.318   4.999
  106   1HG   MET  13          1HG       MET  13 -12.054  13.643   6.264
  107   2HG   MET  13          2HG       MET  13 -12.581  13.401   4.601
  108   1HE   MET  13          1HE       MET  13 -14.290  10.234   5.137
  109   2HE   MET  13          2HE       MET  13 -13.459  10.888   3.725
  110   3HE   MET  13          3HE       MET  13 -14.359  11.963   4.796
  111    H    ARG  14           H        ARG  14  -7.739  12.389   3.398
  112    HA   ARG  14           HA       ARG  14  -7.089  14.672   1.664
  113   1HB   ARG  14          1HB       ARG  14  -5.686  14.023   4.266
  114   2HB   ARG  14          2HB       ARG  14  -5.150  15.226   3.104
  115   1HG   ARG  14          1HG       ARG  14  -6.254  16.590   4.533
  116   2HG   ARG  14          2HG       ARG  14  -7.609  16.148   3.493
  117   1HD   ARG  14          1HD       ARG  14  -8.675  15.250   5.222
  118   2HD   ARG  14          2HD       ARG  14  -7.323  14.164   5.519
  119    HE   ARG  14           HE       ARG  14  -6.500  15.643   7.129
  120   1HH1  ARG  14          1HH1      ARG  14  -9.419  16.894   5.643
  121   2HH1  ARG  14          2HH1      ARG  14  -9.689  18.069   6.883
  122   1HH2  ARG  14          1HH2      ARG  14  -6.865  17.199   8.754
  123   2HH2  ARG  14          2HH2      ARG  14  -8.242  18.245   8.645
  124    H    SER  15           H        SER  15  -4.979  14.525   0.648
  125    HA   SER  15           HA       SER  15  -4.445  12.023  -0.477
  126   1HB   SER  15          1HB       SER  15  -3.774  14.065  -1.599
  127   2HB   SER  15          2HB       SER  15  -2.680  14.478  -0.279
  128    HG   SER  15           HG       SER  15  -1.769  13.432  -2.245
  129    H    ASP  16           H        ASP  16  -2.808  13.712   2.197
  130    HA   ASP  16           HA       ASP  16  -0.765  11.813   2.589
  131   1HB   ASP  16          1HB       ASP  16  -0.647  12.797   4.926
  132   2HB   ASP  16          2HB       ASP  16  -0.449  13.930   3.595
  133    H    HIS  17           H        HIS  17  -4.091  11.952   3.748
  134    HA   HIS  17           HA       HIS  17  -4.011  10.050   5.778
  135   1HB   HIS  17          1HB       HIS  17  -6.139  10.880   3.831
  136   2HB   HIS  17          2HB       HIS  17  -6.423   9.511   4.895
  137    HD1  HIS  17           HD1      HIS  17  -8.329  10.885   6.044
  138    HD2  HIS  17           HD2      HIS  17  -4.525  12.507   6.447
  139    HE1  HIS  17           HE1      HIS  17  -8.523  12.611   7.862
  140    HE2  HIS  17           HE2      HIS  17  -6.206  13.570   8.100
  141    H    LEU  18           H        LEU  18  -3.899   9.666   2.305
  142    HA   LEU  18           HA       LEU  18  -4.176   6.772   2.432
  143   1HB   LEU  18          1HB       LEU  18  -3.562   8.591   0.115
  144   2HB   LEU  18          2HB       LEU  18  -3.846   6.869  -0.002
  145    HG   LEU  18           HG       LEU  18  -6.152   7.381   1.009
  146   1HD1  LEU  18          1HD1      LEU  18  -6.825   9.752   0.128
  147   2HD1  LEU  18          2HD1      LEU  18  -5.115  10.102   0.378
  148   3HD1  LEU  18          3HD1      LEU  18  -6.109   9.563   1.729
  149   1HD2  LEU  18          1HD2      LEU  18  -6.786   8.324  -1.392
  150   2HD2  LEU  18          2HD2      LEU  18  -6.291   6.653  -1.129
  151   3HD2  LEU  18          3HD2      LEU  18  -5.124   7.837  -1.721
  152    H    SER  19           H        SER  19  -1.784   9.163   1.350
  153    HA   SER  19           HA       SER  19   0.291   7.659   0.578
  154   1HB   SER  19          1HB       SER  19   0.487  10.056   0.594
  155   2HB   SER  19          2HB       SER  19   0.408  10.109   2.355
  156    HG   SER  19           HG       SER  19   2.546  10.284   1.742
  157    H    LYS  20           H        LYS  20  -0.583   8.176   3.978
  158    HA   LYS  20           HA       LYS  20   1.623   6.573   4.936
  159   1HB   LYS  20          1HB       LYS  20  -0.768   7.801   6.311
  160   2HB   LYS  20          2HB       LYS  20   0.425   6.826   7.156
  161   1HG   LYS  20          1HG       LYS  20   1.927   8.484   7.206
  162   2HG   LYS  20          2HG       LYS  20   1.563   9.000   5.558
  163   1HD   LYS  20          1HD       LYS  20  -0.424  10.161   6.338
  164   2HD   LYS  20          2HD       LYS  20  -0.135   9.591   7.983
  165   1HE   LYS  20          1HE       LYS  20   1.946  10.841   8.074
  166   2HE   LYS  20          2HE       LYS  20   1.728  11.362   6.404
  167   1HZ   LYS  20          1HZ       LYS  20  -0.252  12.563   7.059
  168   2HZ   LYS  20          2HZ       LYS  20   1.066  13.074   7.987
  169   3HZ   LYS  20          3HZ       LYS  20  -0.086  12.034   8.658
  170    H    HIS  21           H        HIS  21  -1.776   6.125   4.198
  171    HA   HIS  21           HA       HIS  21  -1.944   3.527   5.435
  172   1HB   HIS  21          1HB       HIS  21  -4.020   4.497   5.483
  173   2HB   HIS  21          2HB       HIS  21  -3.787   5.332   3.955
  174    HD1  HIS  21           HD1      HIS  21  -5.875   2.838   5.306
  175    HD2  HIS  21           HD2      HIS  21  -3.729   3.167   1.773
  176    HE1  HIS  21           HE1      HIS  21  -6.988   1.277   3.652
  177    H    ILE  22           H        ILE  22  -1.442   4.756   2.139
  178    HA   ILE  22           HA       ILE  22  -1.847   2.317   0.815
  179    HB   ILE  22           HB       ILE  22  -0.216   3.327  -0.937
  180   1HG1  ILE  22          1HG1      ILE  22  -0.844   6.012  -0.263
  181   2HG1  ILE  22          2HG1      ILE  22  -0.070   5.265   1.133
  182   1HG2  ILE  22          1HG2      ILE  22  -2.191   5.062  -1.438
  183   2HG2  ILE  22          2HG2      ILE  22  -2.990   4.055  -0.231
  184   3HG2  ILE  22          3HG2      ILE  22  -2.347   3.325  -1.702
  185   1HD1  ILE  22          1HD1      ILE  22   1.465   6.417  -0.479
  186   2HD1  ILE  22          2HD1      ILE  22   1.081   5.140  -1.634
  187   3HD1  ILE  22          3HD1      ILE  22   1.871   4.741  -0.109
  188    H    THR  23           H        THR  23   1.174   3.739   1.993
  189    HA   THR  23           HA       THR  23   2.930   1.843   1.066
  190    HB   THR  23           HB       THR  23   3.038   3.223   3.758
  191    HG1  THR  23           HG1      THR  23   3.150   4.882   2.462
  192   1HG2  THR  23          1HG2      THR  23   4.713   1.551   3.788
  193   2HG2  THR  23          2HG2      THR  23   5.514   3.078   3.416
  194   3HG2  THR  23          3HG2      THR  23   5.198   1.914   2.131
  195    H    LEU  24           H        LEU  24   0.710   1.524   3.767
  196    HA   LEU  24           HA       LEU  24   1.823  -1.105   4.444
  197   1HB   LEU  24          1HB       LEU  24   0.237  -1.034   6.349
  198   2HB   LEU  24          2HB       LEU  24   1.373   0.306   6.341
  199    HG   LEU  24           HG       LEU  24  -0.685   1.366   4.955
  200   1HD1  LEU  24          1HD1      LEU  24  -2.311   0.323   7.120
  201   2HD1  LEU  24          2HD1      LEU  24  -1.829  -0.914   5.958
  202   3HD1  LEU  24          3HD1      LEU  24  -2.688   0.528   5.408
  203   1HD2  LEU  24          1HD2      LEU  24  -1.115   2.706   6.867
  204   2HD2  LEU  24          2HD2      LEU  24   0.602   2.301   6.889
  205   3HD2  LEU  24          3HD2      LEU  24  -0.519   1.452   7.955
  206    H    HIS  25           H        HIS  25  -1.179   0.419   3.329
  207    HA   HIS  25           HA       HIS  25  -2.671  -1.984   3.234
  208   1HB   HIS  25          1HB       HIS  25  -4.336  -0.515   3.002
  209   2HB   HIS  25          2HB       HIS  25  -3.196   0.790   2.766
  210    HD1  HIS  25           HD1      HIS  25  -5.021  -1.827   0.692
  211    HD2  HIS  25           HD2      HIS  25  -3.354   1.968   0.357
  212    HE1  HIS  25           HE1      HIS  25  -5.665  -0.961  -1.593
  213    H    GLU  26           H        GLU  26  -0.444  -0.449   1.022
  214    HA   GLU  26           HA       GLU  26  -1.218  -2.068  -1.232
  215   1HB   GLU  26          1HB       GLU  26   0.542  -1.048  -2.412
  216   2HB   GLU  26          2HB       GLU  26  -0.029   0.207  -1.323
  217   1HG   GLU  26          1HG       GLU  26   1.833  -0.453   0.236
  218   2HG   GLU  26          2HG       GLU  26   2.455  -1.464  -1.066
  219    H    LEU  27           H        LEU  27   0.654  -2.489   1.618
  220    HA   LEU  27           HA       LEU  27   2.331  -4.602   0.548
  221   1HB   LEU  27          1HB       LEU  27   1.973  -3.274   3.189
  222   2HB   LEU  27          2HB       LEU  27   2.657  -4.887   3.175
  223   1HD1  LEU  27          1HD1      LEU  27   4.664  -1.769   1.137
  224   2HD1  LEU  27          2HD1      LEU  27   2.915  -1.974   1.047
  225   3HD1  LEU  27          3HD1      LEU  27   3.979  -3.082   0.180
  226   1HD2  LEU  27          1HD2      LEU  27   4.866  -3.357   4.207
  227   2HD2  LEU  27          2HD2      LEU  27   3.621  -2.126   3.990
  228   3HD2  LEU  27          3HD2      LEU  27   5.187  -1.945   3.200
  229    H    LEU  28           H        LEU  28  -0.362  -4.404   2.884
  230    HA   LEU  28           HA       LEU  28  -0.719  -7.310   2.655
  231   1HB   LEU  28          1HB       LEU  28  -1.999  -5.438   4.643
  232   2HB   LEU  28          2HB       LEU  28  -2.007  -7.190   4.689
  233    HG   LEU  28           HG       LEU  28   0.525  -5.569   4.906
  234   1HD1  LEU  28          1HD1      LEU  28  -1.169  -6.668   7.145
  235   2HD1  LEU  28          2HD1      LEU  28  -1.004  -4.963   6.726
  236   3HD1  LEU  28          3HD1      LEU  28   0.394  -5.867   7.309
  237   1HD2  LEU  28          1HD2      LEU  28   0.864  -7.868   4.246
  238   2HD2  LEU  28          2HD2      LEU  28  -0.164  -8.431   5.565
  239   3HD2  LEU  28          3HD2      LEU  28   1.379  -7.653   5.919
  240    H    GLY  29           H        GLY  29  -2.804  -4.412   2.930
  241   1HA   GLY  29          1HA       GLY  29  -4.552  -3.825   1.473
  242   2HA   GLY  29          2HA       GLY  29  -4.463  -5.424   0.751
  243    H    GLU  30           H        GLU  30  -5.270  -3.860   3.851
  244    HA   GLU  30           HA       GLU  30  -7.439  -5.832   4.168
  245   1HB   GLU  30          1HB       GLU  30  -5.382  -5.579   5.863
  246   2HB   GLU  30          2HB       GLU  30  -6.432  -4.339   6.534
  247   1HG   GLU  30          1HG       GLU  30  -7.063  -6.167   7.753
  248   2HG   GLU  30          2HG       GLU  30  -8.240  -6.212   6.440
  249    H    GLU  31           H        GLU  31  -9.425  -5.053   4.032
  250    HA   GLU  31           HA       GLU  31  -9.841  -2.161   4.360
  251   1HB   GLU  31          1HB       GLU  31 -11.611  -4.196   2.989
  252   2HB   GLU  31          2HB       GLU  31 -11.872  -2.457   3.032
  253   1HG   GLU  31          1HG       GLU  31  -9.495  -3.801   1.764
  254   2HG   GLU  31          2HG       GLU  31 -10.936  -3.275   0.896
  255    H    ARG  32           H        ARG  32 -10.848  -1.460   6.125
  256    HA   ARG  32           HA       ARG  32 -11.898  -3.257   8.069
  257   1HB   ARG  32          1HB       ARG  32 -10.805  -0.971   8.464
  258   2HB   ARG  32          2HB       ARG  32 -12.365  -0.281   8.037
  259   1HG   ARG  32          1HG       ARG  32 -13.387  -1.060   9.940
  260   2HG   ARG  32          2HG       ARG  32 -12.239  -2.385  10.143
  261   1HD   ARG  32          1HD       ARG  32 -11.956  -0.629  11.845
  262   2HD   ARG  32          2HD       ARG  32 -10.519  -0.838  10.846
  263    HE   ARG  32           HE       ARG  32 -10.795   1.292  10.049
  264   1HH1  ARG  32          1HH1      ARG  32 -13.732   0.330  11.696
  265   2HH1  ARG  32          2HH1      ARG  32 -14.440   1.906  11.615
  266   1HH2  ARG  32          1HH2      ARG  32 -11.734   3.365   9.940
  267   2HH2  ARG  32          2HH2      ARG  32 -13.305   3.632  10.618
  268    H    ARG  33           H        ARG  33 -13.697  -4.358   7.579
  269    HA   ARG  33           HA       ARG  33 -16.175  -2.905   7.303
  270   1HB   ARG  33          1HB       ARG  33 -15.334  -3.082   4.961
  271   2HB   ARG  33          2HB       ARG  33 -15.363  -4.832   5.119
  272   1HG   ARG  33          1HG       ARG  33 -17.764  -4.797   5.429
  273   2HG   ARG  33          2HG       ARG  33 -17.765  -3.033   5.374
  274   1HD   ARG  33          1HD       ARG  33 -18.442  -3.824   3.228
  275   2HD   ARG  33          2HD       ARG  33 -16.807  -3.183   3.072
  276    HE   ARG  33           HE       ARG  33 -16.870  -6.009   3.568
  277   1HH1  ARG  33          1HH1      ARG  33 -17.075  -3.558   1.076
  278   2HH1  ARG  33          2HH1      ARG  33 -16.550  -4.622  -0.185
  279   1HH2  ARG  33          1HH2      ARG  33 -16.176  -7.405   1.906
  280   2HH2  ARG  33          2HH2      ARG  33 -16.039  -6.807   0.286
  Start of MODEL   15
    1    H    TYR   1           H        TYR   1 -13.941  12.934   3.202
    2    HA   TYR   1           HA       TYR   1 -12.428  11.877   1.771
    3   1HB   TYR   1          1HB       TYR   1 -14.879  10.860   0.507
    4   2HB   TYR   1          2HB       TYR   1 -13.717  10.031   1.530
    5    HD1  TYR   1           HD1      TYR   1 -14.003  10.022   3.978
    6    HD2  TYR   1           HD2      TYR   1 -16.885  11.824   1.420
    7    HE1  TYR   1           HE1      TYR   1 -15.627  10.024   5.820
    8    HE2  TYR   1           HE2      TYR   1 -18.518  11.831   3.256
    9    HH   TYR   1           HH       TYR   1 -18.586  10.111   5.665
   10    H    LYS   2           H        LYS   2 -11.228  12.408   0.067
   11    HA   LYS   2           HA       LYS   2 -12.456  12.681  -2.535
   12   1HB   LYS   2          1HB       LYS   2 -12.314  14.995  -1.230
   13   2HB   LYS   2          2HB       LYS   2 -10.663  14.954  -1.833
   14   1HG   LYS   2          1HG       LYS   2 -12.278  14.287  -4.019
   15   2HG   LYS   2          2HG       LYS   2 -13.092  15.626  -3.206
   16   1HD   LYS   2          1HD       LYS   2 -10.151  15.787  -3.681
   17   2HD   LYS   2          2HD       LYS   2 -11.252  16.072  -5.029
   18   1HE   LYS   2          1HE       LYS   2 -11.762  17.474  -2.452
   19   2HE   LYS   2          2HE       LYS   2 -10.437  18.041  -3.468
   20   1HZ   LYS   2          1HZ       LYS   2 -11.990  18.324  -5.289
   21   2HZ   LYS   2          2HZ       LYS   2 -12.503  19.210  -3.943
   22   3HZ   LYS   2          3HZ       LYS   2 -13.264  17.751  -4.335
   23    H    PHE   3           H        PHE   3 -10.640  10.780  -1.399
   24    HA   PHE   3           HA       PHE   3  -8.609  10.859  -3.432
   25   1HB   PHE   3          1HB       PHE   3  -7.845  12.145  -1.198
   26   2HB   PHE   3          2HB       PHE   3  -7.413  10.503  -0.737
   27    HD1  PHE   3           HD1      PHE   3  -7.073  12.771  -3.688
   28    HD2  PHE   3           HD2      PHE   3  -5.270   9.827  -1.201
   29    HE1  PHE   3           HE1      PHE   3  -4.985  12.966  -4.972
   30    HE2  PHE   3           HE2      PHE   3  -3.182  10.012  -2.479
   31    HZ   PHE   3           HZ       PHE   3  -3.035  11.585  -4.369
   32    H    ALA   4           H        ALA   4  -8.259   8.855  -4.131
   33    HA   ALA   4           HA       ALA   4  -8.890   6.621  -2.353
   34   1HB   ALA   4          1HB       ALA   4 -10.572   6.840  -4.097
   35   2HB   ALA   4          2HB       ALA   4  -9.636   5.360  -4.313
   36   3HB   ALA   4          3HB       ALA   4  -9.313   6.764  -5.330
   37    H    CYS   5           H        CYS   5  -7.422   5.017  -2.142
   38    HA   CYS   5           HA       CYS   5  -4.751   5.407  -2.863
   39   1HB   CYS   5          1HB       CYS   5  -6.053   2.759  -2.201
   40   2HB   CYS   5          2HB       CYS   5  -4.351   3.169  -2.030
   41    HG   CYS   5           HG       CYS   5  -6.357   3.519   0.089
   42    HA   PRO   6           HA       PRO   6  -4.368   3.910  -7.003
   43   1HB   PRO   6          1HB       PRO   6  -1.873   2.540  -6.268
   44   2HB   PRO   6          2HB       PRO   6  -2.124   3.892  -7.374
   45   1HG   PRO   6          1HG       PRO   6  -0.915   4.203  -4.988
   46   2HG   PRO   6          2HG       PRO   6  -1.926   5.467  -5.709
   47   1HD   PRO   6          1HD       PRO   6  -2.581   3.528  -3.526
   48   2HD   PRO   6          2HD       PRO   6  -3.011   5.244  -3.677
   49    H    GLU   7           H        GLU   7  -4.111   1.710  -4.299
   50    HA   GLU   7           HA       GLU   7  -4.494  -0.627  -5.995
   51   1HB   GLU   7          1HB       GLU   7  -4.065  -0.391  -3.015
   52   2HB   GLU   7          2HB       GLU   7  -4.178  -1.898  -3.902
   53   1HG   GLU   7          1HG       GLU   7  -1.917  -1.686  -3.742
   54   2HG   GLU   7          2HG       GLU   7  -2.198  -0.872  -5.280
   55    H    CYS   8           H        CYS   8  -6.039   0.794  -3.069
   56    HA   CYS   8           HA       CYS   8  -8.511  -0.601  -3.834
   57   1HB   CYS   8          1HB       CYS   8  -9.262  -0.399  -1.571
   58   2HB   CYS   8          2HB       CYS   8  -7.662  -1.077  -1.570
   59    HG   CYS   8           HG       CYS   8  -7.621   0.677   0.275
   60    HA   PRO   9           HA       PRO   9 -10.731   3.089  -4.539
   61   1HB   PRO   9          1HB       PRO   9 -13.222   2.234  -4.104
   62   2HB   PRO   9          2HB       PRO   9 -12.231   1.538  -5.392
   63   1HG   PRO   9          1HG       PRO   9 -12.868   0.438  -2.687
   64   2HG   PRO   9          2HG       PRO   9 -12.741  -0.407  -4.239
   65   1HD   PRO   9          1HD       PRO   9 -10.737  -0.285  -2.294
   66   2HD   PRO   9          2HD       PRO   9 -10.492  -0.716  -3.991
   67    H    LYS  10           H        LYS  10 -10.212   2.106  -1.406
   68    HA   LYS  10           HA       LYS  10 -12.130   3.232   0.191
   69   1HB   LYS  10          1HB       LYS  10  -9.176   2.882   0.524
   70   2HB   LYS  10          2HB       LYS  10 -10.099   3.733   1.754
   71   1HG   LYS  10          1HG       LYS  10 -11.615   1.685   1.796
   72   2HG   LYS  10          2HG       LYS  10 -10.338   0.874   0.887
   73   1HD   LYS  10          1HD       LYS  10  -8.774   1.176   2.644
   74   2HD   LYS  10          2HD       LYS  10  -9.838   2.300   3.491
   75   1HE   LYS  10          1HE       LYS  10 -10.650  -0.541   2.968
   76   2HE   LYS  10          2HE       LYS  10  -9.669  -0.109   4.367
   77   1HZ   LYS  10          1HZ       LYS  10 -11.430   1.458   5.020
   78   2HZ   LYS  10          2HZ       LYS  10 -11.973  -0.142   4.979
   79   3HZ   LYS  10          3HZ       LYS  10 -12.381   0.919   3.728
   80    H    ARG  11           H        ARG  11 -12.818   5.181   0.663
   81    HA   ARG  11           HA       ARG  11 -11.373   7.502  -0.409
   82   1HB   ARG  11          1HB       ARG  11 -13.571   8.699   0.009
   83   2HB   ARG  11          2HB       ARG  11 -13.596   7.465  -1.242
   84   1HG   ARG  11          1HG       ARG  11 -15.254   6.419  -0.220
   85   2HG   ARG  11          2HG       ARG  11 -14.292   6.261   1.250
   86   1HD   ARG  11          1HD       ARG  11 -15.038   8.389   2.045
   87   2HD   ARG  11          2HD       ARG  11 -15.830   8.743   0.511
   88    HE   ARG  11           HE       ARG  11 -16.835   7.106   2.658
   89   1HH1  ARG  11          1HH1      ARG  11 -17.082   7.833  -0.762
   90   2HH1  ARG  11          2HH1      ARG  11 -18.697   7.226  -0.897
   91   1HH2  ARG  11          1HH2      ARG  11 -18.963   6.311   2.468
   92   2HH2  ARG  11          2HH2      ARG  11 -19.765   6.365   0.935
   93    H    PHE  12           H        PHE  12 -10.158   8.591   0.993
   94    HA   PHE  12           HA       PHE  12 -10.759   8.379   3.852
   95   1HB   PHE  12          1HB       PHE  12  -8.274   9.439   2.483
   96   2HB   PHE  12          2HB       PHE  12  -8.481   9.238   4.215
   97    HD1  PHE  12           HD1      PHE  12  -7.278   7.491   5.061
   98    HD2  PHE  12           HD2      PHE  12  -9.014   7.078   1.196
   99    HE1  PHE  12           HE1      PHE  12  -6.358   5.216   4.891
  100    HE2  PHE  12           HE2      PHE  12  -8.102   4.804   1.024
  101    HZ   PHE  12           HZ       PHE  12  -6.766   3.865   2.869
  102    H    MET  13           H        MET  13  -8.926  11.115   2.717
  103    HA   MET  13           HA       MET  13 -11.125  12.948   2.643
  104   1HB   MET  13          1HB       MET  13  -9.982  12.371   5.173
  105   2HB   MET  13          2HB       MET  13  -9.432  13.978   4.718
  106   1HG   MET  13          1HG       MET  13 -11.786  14.621   4.317
  107   2HG   MET  13          2HG       MET  13 -12.284  13.033   4.898
  108   1HE   MET  13          1HE       MET  13 -13.305  13.044   7.423
  109   2HE   MET  13          2HE       MET  13 -11.992  13.107   8.599
  110   3HE   MET  13          3HE       MET  13 -11.832  12.111   7.152
  111    H    ARG  14           H        ARG  14  -7.627  12.690   3.239
  112    HA   ARG  14           HA       ARG  14  -7.184  14.739   1.165
  113   1HB   ARG  14          1HB       ARG  14  -5.761  14.367   3.801
  114   2HB   ARG  14          2HB       ARG  14  -5.103  15.338   2.493
  115   1HG   ARG  14          1HG       ARG  14  -6.252  17.071   3.243
  116   2HG   ARG  14          2HG       ARG  14  -7.750  16.210   2.889
  117   1HD   ARG  14          1HD       ARG  14  -8.174  15.942   5.055
  118   2HD   ARG  14          2HD       ARG  14  -6.590  15.220   5.323
  119    HE   ARG  14           HE       ARG  14  -7.364  17.965   5.801
  120   1HH1  ARG  14          1HH1      ARG  14  -4.701  15.720   5.418
  121   2HH1  ARG  14          2HH1      ARG  14  -3.569  16.733   6.247
  122   1HH2  ARG  14          1HH2      ARG  14  -5.867  19.291   6.893
  123   2HH2  ARG  14          2HH2      ARG  14  -4.230  18.760   7.085
  124    H    SER  15           H        SER  15  -4.737  14.646   0.477
  125    HA   SER  15           HA       SER  15  -4.325  12.124  -0.727
  126   1HB   SER  15          1HB       SER  15  -2.112  13.125  -1.419
  127   2HB   SER  15          2HB       SER  15  -3.528  14.067  -1.872
  128    HG   SER  15           HG       SER  15  -2.892  15.624  -0.598
  129    H    ASP  16           H        ASP  16  -2.731  13.750   2.000
  130    HA   ASP  16           HA       ASP  16  -0.779  11.763   2.458
  131   1HB   ASP  16          1HB       ASP  16  -0.563  12.805   4.718
  132   2HB   ASP  16          2HB       ASP  16  -0.460  13.954   3.389
  133    H    HIS  17           H        HIS  17  -4.122  12.073   3.510
  134    HA   HIS  17           HA       HIS  17  -4.202  10.286   5.629
  135   1HB   HIS  17          1HB       HIS  17  -6.208  11.024   3.519
  136   2HB   HIS  17          2HB       HIS  17  -6.585   9.776   4.700
  137    HD1  HIS  17           HD1      HIS  17  -8.400  11.144   5.864
  138    HD2  HIS  17           HD2      HIS  17  -4.697  13.022   5.797
  139    HE1  HIS  17           HE1      HIS  17  -8.606  13.094   7.439
  140    HE2  HIS  17           HE2      HIS  17  -6.376  14.260   7.323
  141    H    LEU  18           H        LEU  18  -4.061   9.659   2.178
  142    HA   LEU  18           HA       LEU  18  -4.348   6.781   2.552
  143   1HB   LEU  18          1HB       LEU  18  -3.876   8.429   0.081
  144   2HB   LEU  18          2HB       LEU  18  -4.085   6.695   0.090
  145    HG   LEU  18           HG       LEU  18  -6.380   6.978   0.918
  146   1HD1  LEU  18          1HD1      LEU  18  -6.340   9.001   2.124
  147   2HD1  LEU  18          2HD1      LEU  18  -7.338   9.320   0.705
  148   3HD1  LEU  18          3HD1      LEU  18  -5.670   9.891   0.757
  149   1HD2  LEU  18          1HD2      LEU  18  -6.935   6.954  -1.220
  150   2HD2  LEU  18          2HD2      LEU  18  -5.336   7.581  -1.623
  151   3HD2  LEU  18          3HD2      LEU  18  -6.672   8.693  -1.330
  152    H    SER  19           H        SER  19  -1.970   9.137   1.387
  153    HA   SER  19           HA       SER  19   0.097   7.622   0.558
  154   1HB   SER  19          1HB       SER  19   0.255  10.036   0.584
  155   2HB   SER  19          2HB       SER  19   0.274  10.061   2.347
  156    HG   SER  19           HG       SER  19   2.288   9.329   0.544
  157    H    LYS  20           H        LYS  20  -0.775   8.104   3.960
  158    HA   LYS  20           HA       LYS  20   1.470   6.541   4.900
  159   1HB   LYS  20          1HB       LYS  20   0.422   8.461   6.179
  160   2HB   LYS  20          2HB       LYS  20  -0.952   7.407   6.484
  161   1HG   LYS  20          1HG       LYS  20   0.337   5.936   7.798
  162   2HG   LYS  20          2HG       LYS  20   1.853   6.652   7.247
  163   1HD   LYS  20          1HD       LYS  20   1.299   8.730   8.407
  164   2HD   LYS  20          2HD       LYS  20  -0.232   8.032   8.941
  165   1HE   LYS  20          1HE       LYS  20   2.349   6.657   9.576
  166   2HE   LYS  20          2HE       LYS  20   1.823   8.035  10.542
  167   1HZ   LYS  20          1HZ       LYS  20   0.272   5.539  10.096
  168   2HZ   LYS  20          2HZ       LYS  20  -0.241   6.862  11.017
  169   3HZ   LYS  20          3HZ       LYS  20   1.095   5.953  11.515
  170    H    HIS  21           H        HIS  21  -1.918   6.031   4.155
  171    HA   HIS  21           HA       HIS  21  -2.027   3.435   5.408
  172   1HB   HIS  21          1HB       HIS  21  -4.125   4.354   5.469
  173   2HB   HIS  21          2HB       HIS  21  -3.923   5.190   3.937
  174    HD1  HIS  21           HD1      HIS  21  -5.871   2.574   5.333
  175    HD2  HIS  21           HD2      HIS  21  -3.878   3.091   1.735
  176    HE1  HIS  21           HE1      HIS  21  -6.975   1.008   3.680
  177    H    ILE  22           H        ILE  22  -1.456   4.670   2.148
  178    HA   ILE  22           HA       ILE  22  -1.845   2.231   0.793
  179    HB   ILE  22           HB       ILE  22  -0.181   3.265  -0.914
  180   1HG1  ILE  22          1HG1      ILE  22  -0.866   5.936  -0.213
  181   2HG1  ILE  22          2HG1      ILE  22  -0.088   5.179   1.169
  182   1HG2  ILE  22          1HG2      ILE  22  -2.060   4.811  -1.699
  183   2HG2  ILE  22          2HG2      ILE  22  -2.937   4.262  -0.271
  184   3HG2  ILE  22          3HG2      ILE  22  -2.443   3.101  -1.501
  185   1HD1  ILE  22          1HD1      ILE  22   1.046   5.291  -1.610
  186   2HD1  ILE  22          2HD1      ILE  22   1.832   4.603  -0.189
  187   3HD1  ILE  22          3HD1      ILE  22   1.510   6.336  -0.267
  188    H    THR  23           H        THR  23   1.128   3.665   2.069
  189    HA   THR  23           HA       THR  23   2.908   1.770   1.144
  190    HB   THR  23           HB       THR  23   3.021   3.211   3.805
  191    HG1  THR  23           HG1      THR  23   3.098   4.840   2.465
  192   1HG2  THR  23          1HG2      THR  23   5.160   1.848   2.200
  193   2HG2  THR  23          2HG2      THR  23   4.720   1.586   3.888
  194   3HG2  THR  23          3HG2      THR  23   5.508   3.089   3.404
  195    H    LEU  24           H        LEU  24   0.554   1.396   3.664
  196    HA   LEU  24           HA       LEU  24   1.744  -1.177   4.459
  197   1HB   LEU  24          1HB       LEU  24   0.138  -1.102   6.346
  198   2HB   LEU  24          2HB       LEU  24   1.257   0.254   6.338
  199    HG   LEU  24           HG       LEU  24  -0.805   1.250   4.901
  200   1HD1  LEU  24          1HD1      LEU  24  -1.931  -1.008   5.939
  201   2HD1  LEU  24          2HD1      LEU  24  -2.807   0.425   5.390
  202   3HD1  LEU  24          3HD1      LEU  24  -2.409   0.229   7.101
  203   1HD2  LEU  24          1HD2      LEU  24   0.437   2.307   6.768
  204   2HD2  LEU  24          2HD2      LEU  24  -0.577   1.412   7.899
  205   3HD2  LEU  24          3HD2      LEU  24  -1.300   2.606   6.821
  206    H    HIS  25           H        HIS  25  -1.270   0.320   3.327
  207    HA   HIS  25           HA       HIS  25  -2.725  -2.100   3.214
  208   1HB   HIS  25          1HB       HIS  25  -4.420  -0.680   2.953
  209   2HB   HIS  25          2HB       HIS  25  -3.301   0.653   2.793
  210    HD1  HIS  25           HD1      HIS  25  -5.071  -1.900   0.602
  211    HD2  HIS  25           HD2      HIS  25  -3.362   1.885   0.396
  212    HE1  HIS  25           HE1      HIS  25  -5.659  -0.972  -1.674
  213    H    GLU  26           H        GLU  26  -0.493  -0.534   1.025
  214    HA   GLU  26           HA       GLU  26  -1.252  -2.020  -1.287
  215   1HB   GLU  26          1HB       GLU  26   0.727  -1.218  -2.308
  216   2HB   GLU  26          2HB       GLU  26   0.179   0.083  -1.262
  217   1HG   GLU  26          1HG       GLU  26   2.204   0.141  -0.381
  218   2HG   GLU  26          2HG       GLU  26   1.906  -1.453   0.306
  219    H    LEU  27           H        LEU  27   0.439  -2.763   1.628
  220    HA   LEU  27           HA       LEU  27   1.651  -5.176   0.465
  221   1HB   LEU  27          1HB       LEU  27   1.948  -3.726   3.069
  222   2HB   LEU  27          2HB       LEU  27   2.403  -5.417   2.964
  223   1HD1  LEU  27          1HD1      LEU  27   4.348  -2.146   2.352
  224   2HD1  LEU  27          2HD1      LEU  27   2.711  -2.192   1.697
  225   3HD1  LEU  27          3HD1      LEU  27   4.098  -2.408   0.626
  226   1HD2  LEU  27          1HD2      LEU  27   4.331  -4.867   3.729
  227   2HD2  LEU  27          2HD2      LEU  27   5.432  -3.716   2.973
  228   3HD2  LEU  27          3HD2      LEU  27   5.311  -5.360   2.348
  229    H    LEU  28           H        LEU  28   0.056  -4.664   3.606
  230    HA   LEU  28           HA       LEU  28  -1.435  -7.165   3.185
  231   1HB   LEU  28          1HB       LEU  28  -0.840  -5.698   5.759
  232   2HB   LEU  28          2HB       LEU  28  -1.662  -7.240   5.622
  233    HG   LEU  28           HG       LEU  28   1.142  -6.898   4.603
  234   1HD1  LEU  28          1HD1      LEU  28   1.146  -6.145   6.926
  235   2HD1  LEU  28          2HD1      LEU  28   1.969  -7.694   6.753
  236   3HD1  LEU  28          3HD1      LEU  28   0.336  -7.632   7.414
  237   1HD2  LEU  28          1HD2      LEU  28  -0.443  -9.267   5.593
  238   2HD2  LEU  28          2HD2      LEU  28   1.234  -9.313   5.046
  239   3HD2  LEU  28          3HD2      LEU  28  -0.051  -8.896   3.913
  240    H    GLY  29           H        GLY  29  -3.569  -7.139   4.590
  241   1HA   GLY  29          1HA       GLY  29  -5.275  -5.183   3.395
  242   2HA   GLY  29          2HA       GLY  29  -5.754  -6.408   4.561
  243    H    GLU  30           H        GLU  30  -5.646  -5.943   6.791
  244    HA   GLU  30           HA       GLU  30  -4.739  -3.403   7.747
  245   1HB   GLU  30          1HB       GLU  30  -7.209  -3.255   6.633
  246   2HB   GLU  30          2HB       GLU  30  -7.633  -3.673   8.287
  247   1HG   GLU  30          1HG       GLU  30  -5.755  -1.421   7.672
  248   2HG   GLU  30          2HG       GLU  30  -7.504  -1.200   7.656
  249    H    GLU  31           H        GLU  31  -3.644  -4.360   9.377
  250    HA   GLU  31           HA       GLU  31  -5.120  -6.158  11.172
  251   1HB   GLU  31          1HB       GLU  31  -2.732  -6.608  10.017
  252   2HB   GLU  31          2HB       GLU  31  -2.189  -5.814  11.487
  253   1HG   GLU  31          1HG       GLU  31  -3.760  -8.356  11.218
  254   2HG   GLU  31          2HG       GLU  31  -2.165  -8.122  11.932
  255    H    ARG  32           H        ARG  32  -6.225  -4.449  12.233
  256    HA   ARG  32           HA       ARG  32  -4.560  -2.671  13.874
  257   1HB   ARG  32          1HB       ARG  32  -6.690  -1.431  14.286
  258   2HB   ARG  32          2HB       ARG  32  -6.186  -1.460  12.603
  259   1HG   ARG  32          1HG       ARG  32  -7.934  -2.781  11.955
  260   2HG   ARG  32          2HG       ARG  32  -8.091  -3.543  13.537
  261   1HD   ARG  32          1HD       ARG  32  -9.975  -2.040  12.989
  262   2HD   ARG  32          2HD       ARG  32  -9.110  -1.560  14.447
  263    HE   ARG  32           HE       ARG  32  -9.072  -0.184  11.858
  264   1HH1  ARG  32          1HH1      ARG  32  -8.104  -0.256  15.231
  265   2HH1  ARG  32          2HH1      ARG  32  -7.642   1.410  15.255
  266   1HH2  ARG  32          1HH2      ARG  32  -8.460   2.009  11.909
  267   2HH2  ARG  32          2HH2      ARG  32  -7.843   2.695  13.375
  268    H    ARG  33           H        ARG  33  -6.955  -5.233  14.081
  269    HA   ARG  33           HA       ARG  33  -7.551  -4.981  16.832
  270   1HB   ARG  33          1HB       ARG  33  -7.961  -7.028  14.730
  271   2HB   ARG  33          2HB       ARG  33  -7.981  -7.612  16.388
  272   1HG   ARG  33          1HG       ARG  33 -10.191  -7.140  16.085
  273   2HG   ARG  33          2HG       ARG  33  -9.630  -5.603  16.744
  274   1HD   ARG  33          1HD       ARG  33 -10.147  -4.512  14.869
  275   2HD   ARG  33          2HD       ARG  33  -9.323  -5.706  13.868
  276    HE   ARG  33           HE       ARG  33 -11.340  -6.702  13.443
  277   1HH1  ARG  33          1HH1      ARG  33 -11.735  -4.513  16.150
  278   2HH1  ARG  33          2HH1      ARG  33 -13.460  -4.660  16.173
  279   1HH2  ARG  33          1HH2      ARG  33 -13.612  -6.887  13.480
  280   2HH2  ARG  33          2HH2      ARG  33 -14.525  -6.007  14.658
  Start of MODEL   16
    1    H    TYR   1           H        TYR   1 -13.448  14.797   1.700
    2    HA   TYR   1           HA       TYR   1 -12.771  12.758   0.892
    3   1HB   TYR   1          1HB       TYR   1 -15.761  13.034   0.474
    4   2HB   TYR   1          2HB       TYR   1 -14.905  11.531   0.801
    5    HD1  TYR   1           HD1      TYR   1 -14.111  11.014   3.035
    6    HD2  TYR   1           HD2      TYR   1 -16.112  14.683   2.236
    7    HE1  TYR   1           HE1      TYR   1 -14.405  11.374   5.449
    8    HE2  TYR   1           HE2      TYR   1 -16.408  15.054   4.647
    9    HH   TYR   1           HH       TYR   1 -16.466  13.152   6.810
   10    H    LYS   2           H        LYS   2 -11.549  13.187  -1.064
   11    HA   LYS   2           HA       LYS   2 -12.788  11.967  -3.371
   12   1HB   LYS   2          1HB       LYS   2 -12.128  13.834  -4.902
   13   2HB   LYS   2          2HB       LYS   2 -13.442  14.229  -3.806
   14   1HG   LYS   2          1HG       LYS   2 -12.128  15.655  -2.534
   15   2HG   LYS   2          2HG       LYS   2 -10.622  14.933  -3.102
   16   1HD   LYS   2          1HD       LYS   2 -10.612  16.859  -4.333
   17   2HD   LYS   2          2HD       LYS   2 -11.498  15.808  -5.439
   18   1HE   LYS   2          1HE       LYS   2 -13.019  17.460  -5.443
   19   2HE   LYS   2          2HE       LYS   2 -13.515  16.779  -3.895
   20   1HZ   LYS   2          1HZ       LYS   2 -13.200  19.150  -3.711
   21   2HZ   LYS   2          2HZ       LYS   2 -11.614  19.028  -4.288
   22   3HZ   LYS   2          3HZ       LYS   2 -12.023  18.354  -2.792
   23    H    PHE   3           H        PHE   3 -10.806  10.914  -1.837
   24    HA   PHE   3           HA       PHE   3  -8.595  10.839  -3.732
   25   1HB   PHE   3          1HB       PHE   3  -8.244  12.454  -1.626
   26   2HB   PHE   3          2HB       PHE   3  -7.796  10.932  -0.865
   27    HD1  PHE   3           HD1      PHE   3  -6.904  13.401  -3.412
   28    HD2  PHE   3           HD2      PHE   3  -5.800   9.754  -1.534
   29    HE1  PHE   3           HE1      PHE   3  -4.655  13.577  -4.391
   30    HE2  PHE   3           HE2      PHE   3  -3.550   9.912  -2.503
   31    HZ   PHE   3           HZ       PHE   3  -2.974  11.833  -3.941
   32    H    ALA   4           H        ALA   4  -8.510   8.767  -4.282
   33    HA   ALA   4           HA       ALA   4  -8.832   6.740  -2.199
   34   1HB   ALA   4          1HB       ALA   4  -9.563   6.529  -5.113
   35   2HB   ALA   4          2HB       ALA   4 -10.687   6.674  -3.761
   36   3HB   ALA   4          3HB       ALA   4  -9.693   5.228  -3.929
   37    H    CYS   5           H        CYS   5  -7.383   5.051  -2.101
   38    HA   CYS   5           HA       CYS   5  -4.767   5.496  -2.980
   39   1HB   CYS   5          1HB       CYS   5  -5.966   2.838  -2.180
   40   2HB   CYS   5          2HB       CYS   5  -4.264   3.279  -2.141
   41    HG   CYS   5           HG       CYS   5  -4.887   4.960  -0.182
   42    HA   PRO   6           HA       PRO   6  -4.612   3.954  -7.119
   43   1HB   PRO   6          1HB       PRO   6  -1.996   2.745  -6.515
   44   2HB   PRO   6          2HB       PRO   6  -2.398   4.043  -7.643
   45   1HG   PRO   6          1HG       PRO   6  -1.058   4.515  -5.362
   46   2HG   PRO   6          2HG       PRO   6  -2.214   5.680  -6.031
   47   1HD   PRO   6          1HD       PRO   6  -2.566   3.745  -3.776
   48   2HD   PRO   6          2HD       PRO   6  -3.112   5.430  -3.911
   49    H    GLU   7           H        GLU   7  -4.292   1.871  -4.383
   50    HA   GLU   7           HA       GLU   7  -4.572  -0.528  -6.040
   51   1HB   GLU   7          1HB       GLU   7  -4.406  -1.218  -3.286
   52   2HB   GLU   7          2HB       GLU   7  -3.250  -1.537  -4.565
   53   1HG   GLU   7          1HG       GLU   7  -3.313   1.052  -3.042
   54   2HG   GLU   7          2HG       GLU   7  -2.381  -0.346  -2.520
   55    H    CYS   8           H        CYS   8  -6.001   0.832  -3.028
   56    HA   CYS   8           HA       CYS   8  -8.389  -0.783  -3.552
   57   1HB   CYS   8          1HB       CYS   8  -9.058  -0.380  -1.291
   58   2HB   CYS   8          2HB       CYS   8  -7.402  -0.905  -1.298
   59    HG   CYS   8           HG       CYS   8  -8.020   2.117  -0.981
   60    HA   PRO   9           HA       PRO   9 -10.985   2.571  -4.565
   61   1HB   PRO   9          1HB       PRO   9 -13.359   1.569  -3.864
   62   2HB   PRO   9          2HB       PRO   9 -12.382   0.813  -5.128
   63   1HG   PRO   9          1HG       PRO   9 -12.771  -0.012  -2.283
   64   2HG   PRO   9          2HG       PRO   9 -12.634  -1.019  -3.735
   65   1HD   PRO   9          1HD       PRO   9 -10.564  -0.482  -1.934
   66   2HD   PRO   9          2HD       PRO   9 -10.359  -1.094  -3.579
   67    H    LYS  10           H        LYS  10 -10.383   1.910  -1.304
   68    HA   LYS  10           HA       LYS  10 -12.348   3.262   0.090
   69   1HB   LYS  10          1HB       LYS  10  -9.626   2.366   0.612
   70   2HB   LYS  10          2HB       LYS  10 -10.026   3.835   1.491
   71   1HG   LYS  10          1HG       LYS  10 -11.799   1.411   1.523
   72   2HG   LYS  10          2HG       LYS  10 -10.470   1.634   2.663
   73   1HD   LYS  10          1HD       LYS  10 -11.884   2.790   3.941
   74   2HD   LYS  10          2HD       LYS  10 -11.853   4.052   2.708
   75   1HE   LYS  10          1HE       LYS  10 -14.119   3.631   2.937
   76   2HE   LYS  10          2HE       LYS  10 -13.682   2.632   1.552
   77   1HZ   LYS  10          1HZ       LYS  10 -13.945   1.669   4.351
   78   2HZ   LYS  10          2HZ       LYS  10 -13.553   0.715   3.010
   79   3HZ   LYS  10          3HZ       LYS  10 -15.080   1.432   3.118
   80    H    ARG  11           H        ARG  11 -12.881   5.297   0.417
   81    HA   ARG  11           HA       ARG  11 -11.256   7.398  -0.836
   82   1HB   ARG  11          1HB       ARG  11 -13.385   8.783  -0.534
   83   2HB   ARG  11          2HB       ARG  11 -13.435   7.500  -1.731
   84   1HG   ARG  11          1HG       ARG  11 -14.329   6.751   0.974
   85   2HG   ARG  11          2HG       ARG  11 -15.342   7.915   0.119
   86   1HD   ARG  11          1HD       ARG  11 -15.020   6.187  -1.861
   87   2HD   ARG  11          2HD       ARG  11 -14.743   5.073  -0.522
   88    HE   ARG  11           HE       ARG  11 -16.968   5.211   0.026
   89   1HH1  ARG  11          1HH1      ARG  11 -16.214   7.732  -2.286
   90   2HH1  ARG  11          2HH1      ARG  11 -17.873   8.132  -2.574
   91   1HH2  ARG  11          1HH2      ARG  11 -19.152   5.742  -0.363
   92   2HH2  ARG  11          2HH2      ARG  11 -19.541   7.005  -1.484
   93    H    PHE  12           H        PHE  12 -10.083   8.652   0.427
   94    HA   PHE  12           HA       PHE  12 -10.687   8.753   3.300
   95   1HB   PHE  12          1HB       PHE  12  -8.164   9.596   1.862
   96   2HB   PHE  12          2HB       PHE  12  -8.386   9.518   3.600
   97    HD1  PHE  12           HD1      PHE  12  -7.190   7.838   4.555
   98    HD2  PHE  12           HD2      PHE  12  -8.990   7.128   0.762
   99    HE1  PHE  12           HE1      PHE  12  -6.312   5.543   4.569
  100    HE2  PHE  12           HE2      PHE  12  -8.120   4.830   0.777
  101    HZ   PHE  12           HZ       PHE  12  -6.772   4.029   2.680
  102    H    MET  13           H        MET  13  -9.370  11.089   4.004
  103    HA   MET  13           HA       MET  13 -11.162  13.115   2.868
  104   1HB   MET  13          1HB       MET  13  -9.602  13.077   5.456
  105   2HB   MET  13          2HB       MET  13 -10.597  14.420   4.915
  106   1HG   MET  13          1HG       MET  13 -12.251  13.474   6.046
  107   2HG   MET  13          2HG       MET  13 -12.307  12.276   4.756
  108   1HE   MET  13          1HE       MET  13 -12.402  10.195   5.021
  109   2HE   MET  13          2HE       MET  13 -12.077   9.199   6.439
  110   3HE   MET  13          3HE       MET  13 -10.780   9.561   5.298
  111    H    ARG  14           H        ARG  14  -7.750  12.489   3.584
  112    HA   ARG  14           HA       ARG  14  -7.035  14.730   1.806
  113   1HB   ARG  14          1HB       ARG  14  -5.647  13.958   4.381
  114   2HB   ARG  14          2HB       ARG  14  -5.070  15.172   3.251
  115   1HG   ARG  14          1HG       ARG  14  -6.717  16.680   3.818
  116   2HG   ARG  14          2HG       ARG  14  -7.804  15.426   4.418
  117   1HD   ARG  14          1HD       ARG  14  -7.118  16.093   6.447
  118   2HD   ARG  14          2HD       ARG  14  -5.679  15.142   6.089
  119    HE   ARG  14           HE       ARG  14  -4.477  17.089   5.797
  120   1HH1  ARG  14          1HH1      ARG  14  -7.880  17.856   6.131
  121   2HH1  ARG  14          2HH1      ARG  14  -7.601  19.552   6.335
  122   1HH2  ARG  14          1HH2      ARG  14  -4.120  19.322   6.064
  123   2HH2  ARG  14          2HH2      ARG  14  -5.467  20.386   6.297
  124    H    SER  15           H        SER  15  -5.009  14.514   0.699
  125    HA   SER  15           HA       SER  15  -4.546  11.994  -0.417
  126   1HB   SER  15          1HB       SER  15  -3.875  13.995  -1.597
  127   2HB   SER  15          2HB       SER  15  -2.760  14.439  -0.308
  128    HG   SER  15           HG       SER  15  -1.333  13.079  -1.069
  129    H    ASP  16           H        ASP  16  -2.835  13.684   2.196
  130    HA   ASP  16           HA       ASP  16  -0.771  11.815   2.559
  131   1HB   ASP  16          1HB       ASP  16  -0.757  12.772   4.964
  132   2HB   ASP  16          2HB       ASP  16  -0.392  13.850   3.624
  133    H    HIS  17           H        HIS  17  -4.082  11.886   3.774
  134    HA   HIS  17           HA       HIS  17  -3.925   9.955   5.776
  135   1HB   HIS  17          1HB       HIS  17  -6.149  10.662   3.861
  136   2HB   HIS  17          2HB       HIS  17  -6.349   9.443   5.109
  137    HD1  HIS  17           HD1      HIS  17  -8.278  11.236   5.837
  138    HD2  HIS  17           HD2      HIS  17  -4.327  12.337   6.489
  139    HE1  HIS  17           HE1      HIS  17  -8.370  13.111   7.509
  140    HE2  HIS  17           HE2      HIS  17  -5.972  13.809   7.835
  141    H    LEU  18           H        LEU  18  -3.915   9.624   2.296
  142    HA   LEU  18           HA       LEU  18  -4.170   6.725   2.403
  143   1HB   LEU  18          1HB       LEU  18  -3.712   8.578   0.078
  144   2HB   LEU  18          2HB       LEU  18  -3.994   6.856  -0.043
  145    HG   LEU  18           HG       LEU  18  -6.233   7.344   1.119
  146   1HD1  LEU  18          1HD1      LEU  18  -5.243  10.077   0.467
  147   2HD1  LEU  18          2HD1      LEU  18  -6.150   9.513   1.869
  148   3HD1  LEU  18          3HD1      LEU  18  -6.964   9.727   0.319
  149   1HD2  LEU  18          1HD2      LEU  18  -6.690   6.721  -0.973
  150   2HD2  LEU  18          2HD2      LEU  18  -5.344   7.651  -1.634
  151   3HD2  LEU  18          3HD2      LEU  18  -6.881   8.444  -1.295
  152    H    SER  19           H        SER  19  -1.861   9.157   1.224
  153    HA   SER  19           HA       SER  19   0.187   7.663   0.335
  154   1HB   SER  19          1HB       SER  19   0.319  10.083   0.348
  155   2HB   SER  19          2HB       SER  19   0.405  10.113   2.110
  156    HG   SER  19           HG       SER  19   2.464   9.651   2.009
  157    H    LYS  20           H        LYS  20  -0.560   8.165   3.760
  158    HA   LYS  20           HA       LYS  20   1.713   6.590   4.625
  159   1HB   LYS  20          1HB       LYS  20   0.607   8.576   5.875
  160   2HB   LYS  20          2HB       LYS  20  -0.597   7.396   6.374
  161   1HG   LYS  20          1HG       LYS  20   1.369   6.008   7.224
  162   2HG   LYS  20          2HG       LYS  20   2.327   7.478   7.032
  163   1HD   LYS  20          1HD       LYS  20   0.623   8.649   8.466
  164   2HD   LYS  20          2HD       LYS  20  -0.083   7.066   8.795
  165   1HE   LYS  20          1HE       LYS  20   2.840   7.450   9.229
  166   2HE   LYS  20          2HE       LYS  20   1.715   8.126  10.405
  167   1HZ   LYS  20          1HZ       LYS  20   2.419   5.900  11.024
  168   2HZ   LYS  20          2HZ       LYS  20   1.828   5.278   9.566
  169   3HZ   LYS  20          3HZ       LYS  20   0.759   5.929  10.704
  170    H    HIS  21           H        HIS  21  -1.730   6.163   4.087
  171    HA   HIS  21           HA       HIS  21  -1.858   3.591   5.364
  172   1HB   HIS  21          1HB       HIS  21  -3.929   4.543   5.477
  173   2HB   HIS  21          2HB       HIS  21  -3.745   5.388   3.948
  174    HD1  HIS  21           HD1      HIS  21  -5.721   2.805   5.379
  175    HD2  HIS  21           HD2      HIS  21  -3.836   3.336   1.725
  176    HE1  HIS  21           HE1      HIS  21  -6.902   1.274   3.745
  177    H    ILE  22           H        ILE  22  -1.311   4.728   2.069
  178    HA   ILE  22           HA       ILE  22  -1.838   2.280   0.774
  179    HB   ILE  22           HB       ILE  22  -0.099   3.226  -0.958
  180   1HG1  ILE  22          1HG1      ILE  22  -0.884   5.916  -0.309
  181   2HG1  ILE  22          2HG1      ILE  22   0.006   5.198   1.031
  182   1HG2  ILE  22          1HG2      ILE  22  -2.229   3.089  -1.763
  183   2HG2  ILE  22          2HG2      ILE  22  -2.061   4.842  -1.684
  184   3HG2  ILE  22          3HG2      ILE  22  -2.918   3.981  -0.407
  185   1HD1  ILE  22          1HD1      ILE  22   1.494   6.378  -0.473
  186   2HD1  ILE  22          2HD1      ILE  22   0.953   5.369  -1.814
  187   3HD1  ILE  22          3HD1      ILE  22   1.844   4.649  -0.472
  188    H    THR  23           H        THR  23   1.188   3.596   2.023
  189    HA   THR  23           HA       THR  23   2.844   1.539   1.130
  190    HB   THR  23           HB       THR  23   3.139   3.170   3.662
  191    HG1  THR  23           HG1      THR  23   3.262   4.701   2.218
  192   1HG2  THR  23          1HG2      THR  23   4.745   1.445   3.781
  193   2HG2  THR  23          2HG2      THR  23   5.589   2.881   3.200
  194   3HG2  THR  23          3HG2      THR  23   5.144   1.602   2.069
  195    H    LEU  24           H        LEU  24   0.546   1.534   3.735
  196    HA   LEU  24           HA       LEU  24   1.623  -0.998   4.761
  197   1HB   LEU  24          1HB       LEU  24   0.020  -0.678   6.630
  198   2HB   LEU  24          2HB       LEU  24   1.212   0.603   6.495
  199    HG   LEU  24           HG       LEU  24  -0.767   1.663   5.027
  200   1HD1  LEU  24          1HD1      LEU  24  -2.041  -0.523   6.084
  201   2HD1  LEU  24          2HD1      LEU  24  -2.824   0.931   5.461
  202   3HD1  LEU  24          3HD1      LEU  24  -2.500   0.774   7.188
  203   1HD2  LEU  24          1HD2      LEU  24  -0.628   1.857   8.027
  204   2HD2  LEU  24          2HD2      LEU  24  -1.264   3.065   6.911
  205   3HD2  LEU  24          3HD2      LEU  24   0.459   2.688   6.914
  206    H    HIS  25           H        HIS  25  -1.333   0.451   3.431
  207    HA   HIS  25           HA       HIS  25  -2.855  -1.942   3.575
  208   1HB   HIS  25          1HB       HIS  25  -4.534  -0.552   3.099
  209   2HB   HIS  25          2HB       HIS  25  -3.387   0.758   2.975
  210    HD1  HIS  25           HD1      HIS  25  -4.972  -1.862   0.700
  211    HD2  HIS  25           HD2      HIS  25  -3.399   1.984   0.592
  212    HE1  HIS  25           HE1      HIS  25  -5.455  -0.956  -1.611
  213    H    GLU  26           H        GLU  26  -0.585  -0.623   1.276
  214    HA   GLU  26           HA       GLU  26  -1.293  -2.609  -0.739
  215   1HB   GLU  26          1HB       GLU  26  -0.653  -0.354  -1.488
  216   2HB   GLU  26          2HB       GLU  26   0.907  -0.528  -0.700
  217   1HG   GLU  26          1HG       GLU  26   0.787  -0.874  -3.225
  218   2HG   GLU  26          2HG       GLU  26   1.679  -2.052  -2.267
  219    H    LEU  27           H        LEU  27   0.903  -2.123   1.901
  220    HA   LEU  27           HA       LEU  27   2.835  -4.087   1.064
  221   1HB   LEU  27          1HB       LEU  27   3.683  -2.425   2.486
  222   2HB   LEU  27          2HB       LEU  27   2.330  -2.546   3.590
  223   1HD1  LEU  27          1HD1      LEU  27   3.532  -4.561   5.939
  224   2HD1  LEU  27          2HD1      LEU  27   2.743  -5.631   4.781
  225   3HD1  LEU  27          3HD1      LEU  27   2.073  -4.030   5.100
  226   1HD2  LEU  27          1HD2      LEU  27   4.569  -4.856   2.056
  227   2HD2  LEU  27          2HD2      LEU  27   4.018  -6.052   3.228
  228   3HD2  LEU  27          3HD2      LEU  27   5.558  -5.229   3.467
  229    H    LEU  28           H        LEU  28   0.276  -3.997   3.547
  230    HA   LEU  28           HA       LEU  28   0.541  -6.844   4.027
  231   1HB   LEU  28          1HB       LEU  28  -0.170  -4.749   5.619
  232   2HB   LEU  28          2HB       LEU  28  -1.741  -5.413   5.214
  233    HG   LEU  28           HG       LEU  28  -1.015  -6.366   7.292
  234   1HD1  LEU  28          1HD1      LEU  28  -0.579  -8.479   5.197
  235   2HD1  LEU  28          2HD1      LEU  28  -2.166  -7.819   5.592
  236   3HD1  LEU  28          3HD1      LEU  28  -1.235  -8.677   6.821
  237   1HD2  LEU  28          1HD2      LEU  28   1.447  -7.349   5.856
  238   2HD2  LEU  28          2HD2      LEU  28   1.044  -7.581   7.558
  239   3HD2  LEU  28          3HD2      LEU  28   1.406  -5.965   6.951
  240    H    GLY  29           H        GLY  29  -2.146  -4.683   3.057
  241   1HA   GLY  29          1HA       GLY  29  -3.846  -5.037   1.535
  242   2HA   GLY  29          2HA       GLY  29  -3.039  -6.517   1.042
  243    H    GLU  30           H        GLU  30  -4.618  -5.317   4.016
  244    HA   GLU  30           HA       GLU  30  -6.008  -7.905   4.205
  245   1HB   GLU  30          1HB       GLU  30  -4.475  -6.603   6.098
  246   2HB   GLU  30          2HB       GLU  30  -6.117  -6.187   6.571
  247   1HG   GLU  30          1HG       GLU  30  -5.876  -8.110   7.742
  248   2HG   GLU  30          2HG       GLU  30  -6.488  -8.781   6.231
  249    H    GLU  31           H        GLU  31  -8.176  -7.999   4.152
  250    HA   GLU  31           HA       GLU  31  -9.629  -5.495   3.725
  251   1HB   GLU  31          1HB       GLU  31  -9.718  -7.763   2.296
  252   2HB   GLU  31          2HB       GLU  31 -10.989  -8.126   3.456
  253   1HG   GLU  31          1HG       GLU  31 -10.896  -5.655   1.742
  254   2HG   GLU  31          2HG       GLU  31 -11.807  -7.113   1.355
  255    H    ARG  32           H        ARG  32 -10.564  -4.582   5.428
  256    HA   ARG  32           HA       ARG  32 -11.100  -6.042   7.842
  257   1HB   ARG  32          1HB       ARG  32 -10.954  -3.265   7.032
  258   2HB   ARG  32          2HB       ARG  32 -12.372  -3.553   8.030
  259   1HG   ARG  32          1HG       ARG  32 -11.106  -3.495   9.838
  260   2HG   ARG  32          2HG       ARG  32 -10.202  -4.892   9.251
  261   1HD   ARG  32          1HD       ARG  32  -8.490  -3.398   9.428
  262   2HD   ARG  32          2HD       ARG  32  -9.008  -3.040   7.783
  263    HE   ARG  32           HE       ARG  32  -9.738  -0.984   8.485
  264   1HH1  ARG  32          1HH1      ARG  32  -9.090  -2.965  11.301
  265   2HH1  ARG  32          2HH1      ARG  32  -9.278  -1.655  12.415
  266   1HH2  ARG  32          1HH2      ARG  32  -9.981   0.736   9.960
  267   2HH2  ARG  32          2HH2      ARG  32  -9.783   0.446  11.656
  268    H    ARG  33           H        ARG  33 -13.078  -6.485   8.793
  269    HA   ARG  33           HA       ARG  33 -15.307  -6.916   8.980
  270   1HB   ARG  33          1HB       ARG  33 -15.759  -5.430   6.391
  271   2HB   ARG  33          2HB       ARG  33 -16.946  -5.811   7.627
  272   1HG   ARG  33          1HG       ARG  33 -15.930  -4.267   9.160
  273   2HG   ARG  33          2HG       ARG  33 -14.601  -3.968   8.038
  274   1HD   ARG  33          1HD       ARG  33 -17.216  -3.526   6.835
  275   2HD   ARG  33          2HD       ARG  33 -16.932  -2.501   8.239
  276    HE   ARG  33           HE       ARG  33 -15.208  -1.436   7.104
  277   1HH1  ARG  33          1HH1      ARG  33 -16.509  -4.053   5.167
  278   2HH1  ARG  33          2HH1      ARG  33 -15.717  -3.534   3.719
  279   1HH2  ARG  33          1HH2      ARG  33 -14.176  -0.760   5.193
  280   2HH2  ARG  33          2HH2      ARG  33 -14.393  -1.664   3.732
  Start of MODEL   17
    1    H    TYR   1           H        TYR   1 -12.391  15.132   0.097
    2    HA   TYR   1           HA       TYR   1 -11.988  13.038   0.964
    3   1HB   TYR   1          1HB       TYR   1 -14.178  11.545   1.209
    4   2HB   TYR   1          2HB       TYR   1 -13.592  12.544   2.532
    5    HD1  TYR   1           HD1      TYR   1 -14.955  14.215   3.464
    6    HD2  TYR   1           HD2      TYR   1 -16.051  12.468  -0.258
    7    HE1  TYR   1           HE1      TYR   1 -17.130  15.356   3.576
    8    HE2  TYR   1           HE2      TYR   1 -18.228  13.606  -0.157
    9    HH   TYR   1           HH       TYR   1 -18.948  16.069   1.403
   10    H    LYS   2           H        LYS   2 -11.495  13.680  -1.417
   11    HA   LYS   2           HA       LYS   2 -12.853  11.720  -3.142
   12   1HB   LYS   2          1HB       LYS   2 -12.117  14.572  -3.762
   13   2HB   LYS   2          2HB       LYS   2 -12.313  13.381  -5.042
   14   1HG   LYS   2          1HG       LYS   2 -14.605  13.020  -4.439
   15   2HG   LYS   2          2HG       LYS   2 -14.435  14.045  -3.013
   16   1HD   LYS   2          1HD       LYS   2 -13.743  15.249  -5.631
   17   2HD   LYS   2          2HD       LYS   2 -15.450  14.930  -5.323
   18   1HE   LYS   2          1HE       LYS   2 -15.422  16.943  -4.329
   19   2HE   LYS   2          2HE       LYS   2 -14.694  16.076  -2.978
   20   1HZ   LYS   2          1HZ       LYS   2 -13.444  18.070  -3.576
   21   2HZ   LYS   2          2HZ       LYS   2 -13.186  17.459  -5.131
   22   3HZ   LYS   2          3HZ       LYS   2 -12.513  16.674  -3.794
   23    H    PHE   3           H        PHE   3 -10.790  10.747  -1.925
   24    HA   PHE   3           HA       PHE   3  -8.684  10.678  -3.960
   25   1HB   PHE   3          1HB       PHE   3  -8.181  12.210  -1.887
   26   2HB   PHE   3          2HB       PHE   3  -7.905  10.682  -1.063
   27    HD1  PHE   3           HD1      PHE   3  -6.275  13.268  -2.531
   28    HD2  PHE   3           HD2      PHE   3  -6.400   9.020  -2.705
   29    HE1  PHE   3           HE1      PHE   3  -3.963  13.237  -3.359
   30    HE2  PHE   3           HE2      PHE   3  -4.079   8.974  -3.523
   31    HZ   PHE   3           HZ       PHE   3  -2.861  11.091  -3.860
   32    H    ALA   4           H        ALA   4  -8.458   8.621  -4.563
   33    HA   ALA   4           HA       ALA   4  -8.960   6.519  -2.593
   34   1HB   ALA   4          1HB       ALA   4  -9.400   6.398  -5.568
   35   2HB   ALA   4          2HB       ALA   4 -10.656   6.545  -4.340
   36   3HB   ALA   4          3HB       ALA   4  -9.679   5.079  -4.431
   37    H    CYS   5           H        CYS   5  -7.451   4.966  -2.281
   38    HA   CYS   5           HA       CYS   5  -4.797   5.390  -3.052
   39   1HB   CYS   5          1HB       CYS   5  -6.036   2.780  -2.158
   40   2HB   CYS   5          2HB       CYS   5  -4.330   3.204  -2.092
   41    HG   CYS   5           HG       CYS   5  -6.023   3.572   0.161
   42    HA   PRO   6           HA       PRO   6  -4.378   3.663  -7.096
   43   1HB   PRO   6          1HB       PRO   6  -1.910   2.308  -6.193
   44   2HB   PRO   6          2HB       PRO   6  -2.127   3.520  -7.459
   45   1HG   PRO   6          1HG       PRO   6  -0.946   4.135  -5.139
   46   2HG   PRO   6          2HG       PRO   6  -2.005   5.288  -5.973
   47   1HD   PRO   6          1HD       PRO   6  -2.585   3.552  -3.604
   48   2HD   PRO   6          2HD       PRO   6  -3.055   5.238  -3.908
   49    H    GLU   7           H        GLU   7  -4.198   1.600  -4.282
   50    HA   GLU   7           HA       GLU   7  -4.647  -0.791  -5.907
   51   1HB   GLU   7          1HB       GLU   7  -2.862  -0.851  -4.201
   52   2HB   GLU   7          2HB       GLU   7  -4.063  -0.558  -2.953
   53   1HG   GLU   7          1HG       GLU   7  -5.165  -2.668  -3.533
   54   2HG   GLU   7          2HG       GLU   7  -3.931  -2.963  -4.756
   55    H    CYS   8           H        CYS   8  -6.068   0.820  -3.014
   56    HA   CYS   8           HA       CYS   8  -8.529  -0.705  -3.534
   57   1HB   CYS   8          1HB       CYS   8  -9.193  -0.334  -1.277
   58   2HB   CYS   8          2HB       CYS   8  -7.558  -0.923  -1.270
   59    HG   CYS   8           HG       CYS   8  -8.015   2.120  -0.923
   60    HA   PRO   9           HA       PRO   9 -10.906   2.821  -4.494
   61   1HB   PRO   9          1HB       PRO   9 -13.343   1.953  -3.824
   62   2HB   PRO   9          2HB       PRO   9 -12.407   1.162  -5.098
   63   1HG   PRO   9          1HG       PRO   9 -12.864   0.308  -2.272
   64   2HG   PRO   9          2HG       PRO   9 -12.780  -0.677  -3.742
   65   1HD   PRO   9          1HD       PRO   9 -10.692  -0.299  -1.918
   66   2HD   PRO   9          2HD       PRO   9 -10.512  -0.897  -3.570
   67    H    LYS  10           H        LYS  10 -10.335   2.076  -1.251
   68    HA   LYS  10           HA       LYS  10 -12.205   3.471   0.212
   69   1HB   LYS  10          1HB       LYS  10  -9.958   2.131   0.845
   70   2HB   LYS  10          2HB       LYS  10  -9.387   3.779   1.073
   71   1HG   LYS  10          1HG       LYS  10 -11.953   2.891   2.322
   72   2HG   LYS  10          2HG       LYS  10 -10.405   2.488   3.069
   73   1HD   LYS  10          1HD       LYS  10  -9.862   4.976   2.884
   74   2HD   LYS  10          2HD       LYS  10 -11.577   5.207   2.541
   75   1HE   LYS  10          1HE       LYS  10 -12.133   4.118   4.672
   76   2HE   LYS  10          2HE       LYS  10 -10.413   3.925   5.012
   77   1HZ   LYS  10          1HZ       LYS  10 -11.816   6.520   4.655
   78   2HZ   LYS  10          2HZ       LYS  10 -10.174   6.326   5.013
   79   3HZ   LYS  10          3HZ       LYS  10 -11.347   5.855   6.139
   80    H    ARG  11           H        ARG  11 -12.783   5.514   0.376
   81    HA   ARG  11           HA       ARG  11 -11.112   7.569  -0.875
   82   1HB   ARG  11          1HB       ARG  11 -13.202   8.995  -0.609
   83   2HB   ARG  11          2HB       ARG  11 -13.305   7.658  -1.745
   84   1HG   ARG  11          1HG       ARG  11 -14.705   6.426  -0.368
   85   2HG   ARG  11          2HG       ARG  11 -14.234   7.321   1.078
   86   1HD   ARG  11          1HD       ARG  11 -15.732   8.960   0.706
   87   2HD   ARG  11          2HD       ARG  11 -15.470   8.943  -1.037
   88    HE   ARG  11           HE       ARG  11 -17.486   7.516   0.433
   89   1HH1  ARG  11          1HH1      ARG  11 -15.622   7.577  -2.533
   90   2HH1  ARG  11          2HH1      ARG  11 -16.782   6.654  -3.424
   91   1HH2  ARG  11          1HH2      ARG  11 -19.008   6.298  -0.748
   92   2HH2  ARG  11          2HH2      ARG  11 -18.706   5.927  -2.412
   93    H    PHE  12           H        PHE  12  -9.792   8.661   0.410
   94    HA   PHE  12           HA       PHE  12 -10.447   8.939   3.254
   95   1HB   PHE  12          1HB       PHE  12  -7.860   9.599   1.828
   96   2HB   PHE  12          2HB       PHE  12  -8.121   9.618   3.564
   97    HD1  PHE  12           HD1      PHE  12  -7.288   7.840   4.735
   98    HD2  PHE  12           HD2      PHE  12  -8.554   7.217   0.721
   99    HE1  PHE  12           HE1      PHE  12  -6.541   5.500   4.864
  100    HE2  PHE  12           HE2      PHE  12  -7.815   4.879   0.846
  101    HZ   PHE  12           HZ       PHE  12  -6.800   4.013   2.917
  102    H    MET  13           H        MET  13  -9.804  11.082   4.268
  103    HA   MET  13           HA       MET  13 -11.201  13.181   2.879
  104   1HB   MET  13          1HB       MET  13 -10.061  12.832   5.617
  105   2HB   MET  13          2HB       MET  13 -10.419  14.458   5.050
  106   1HG   MET  13          1HG       MET  13 -12.735  13.803   4.637
  107   2HG   MET  13          2HG       MET  13 -12.375  12.176   5.211
  108   1HE   MET  13          1HE       MET  13 -13.948  11.868   6.997
  109   2HE   MET  13          2HE       MET  13 -14.814  13.377   6.714
  110   3HE   MET  13          3HE       MET  13 -14.284  12.957   8.343
  111    H    ARG  14           H        ARG  14  -7.845  12.456   3.673
  112    HA   ARG  14           HA       ARG  14  -7.032  14.771   2.041
  113   1HB   ARG  14          1HB       ARG  14  -5.827  13.887   4.667
  114   2HB   ARG  14          2HB       ARG  14  -5.060  15.031   3.578
  115   1HG   ARG  14          1HG       ARG  14  -6.454  16.717   4.143
  116   2HG   ARG  14          2HG       ARG  14  -7.835  15.644   4.379
  117   1HD   ARG  14          1HD       ARG  14  -7.227  15.122   6.546
  118   2HD   ARG  14          2HD       ARG  14  -5.532  15.525   6.277
  119    HE   ARG  14           HE       ARG  14  -5.995  17.727   6.756
  120   1HH1  ARG  14          1HH1      ARG  14  -9.004  15.958   6.442
  121   2HH1  ARG  14          2HH1      ARG  14  -9.968  17.243   7.085
  122   1HH2  ARG  14          1HH2      ARG  14  -7.272  19.414   7.605
  123   2HH2  ARG  14          2HH2      ARG  14  -8.987  19.205   7.744
  124    H    SER  15           H        SER  15  -5.114  14.527   0.857
  125    HA   SER  15           HA       SER  15  -4.627  12.034  -0.269
  126   1HB   SER  15          1HB       SER  15  -2.605  13.072  -1.242
  127   2HB   SER  15          2HB       SER  15  -4.004  14.135  -1.365
  128    HG   SER  15           HG       SER  15  -2.152  15.255  -0.636
  129    H    ASP  16           H        ASP  16  -3.019  13.637   2.446
  130    HA   ASP  16           HA       ASP  16  -0.890  11.794   2.715
  131   1HB   ASP  16          1HB       ASP  16  -0.905  12.687   5.163
  132   2HB   ASP  16          2HB       ASP  16  -0.486  13.777   3.849
  133    H    HIS  17           H        HIS  17  -4.196  11.818   3.928
  134    HA   HIS  17           HA       HIS  17  -4.023   9.819   5.870
  135   1HB   HIS  17          1HB       HIS  17  -6.277  10.572   4.002
  136   2HB   HIS  17          2HB       HIS  17  -6.453   9.359   5.262
  137    HD1  HIS  17           HD1      HIS  17  -8.363  11.305   5.870
  138    HD2  HIS  17           HD2      HIS  17  -4.382  12.111   6.740
  139    HE1  HIS  17           HE1      HIS  17  -8.409  13.143   7.581
  140    HE2  HIS  17           HE2      HIS  17  -5.988  13.581   8.132
  141    H    LEU  18           H        LEU  18  -3.944   9.629   2.399
  142    HA   LEU  18           HA       LEU  18  -4.257   6.728   2.379
  143   1HB   LEU  18          1HB       LEU  18  -3.594   8.474   0.030
  144   2HB   LEU  18          2HB       LEU  18  -4.278   6.865   0.017
  145    HG   LEU  18           HG       LEU  18  -6.242   8.147   1.305
  146   1HD1  LEU  18          1HD1      LEU  18  -5.037  10.309   1.152
  147   2HD1  LEU  18          2HD1      LEU  18  -6.612  10.325   0.367
  148   3HD1  LEU  18          3HD1      LEU  18  -5.143  10.200  -0.600
  149   1HD2  LEU  18          1HD2      LEU  18  -6.849   6.902  -0.516
  150   2HD2  LEU  18          2HD2      LEU  18  -5.644   7.659  -1.558
  151   3HD2  LEU  18          3HD2      LEU  18  -7.113   8.535  -1.129
  152    H    SER  19           H        SER  19  -1.954   9.163   1.203
  153    HA   SER  19           HA       SER  19   0.107   7.694   0.329
  154   1HB   SER  19          1HB       SER  19   0.225  10.112   0.347
  155   2HB   SER  19          2HB       SER  19   0.310  10.138   2.109
  156    HG   SER  19           HG       SER  19   2.370   9.676   2.012
  157    H    LYS  20           H        LYS  20  -0.612   8.189   3.766
  158    HA   LYS  20           HA       LYS  20   1.678   6.626   4.600
  159   1HB   LYS  20          1HB       LYS  20   0.566   8.587   5.877
  160   2HB   LYS  20          2HB       LYS  20  -0.628   7.395   6.373
  161   1HG   LYS  20          1HG       LYS  20   0.775   6.394   7.817
  162   2HG   LYS  20          2HG       LYS  20   2.177   6.602   6.767
  163   1HD   LYS  20          1HD       LYS  20   2.758   8.061   8.415
  164   2HD   LYS  20          2HD       LYS  20   1.794   9.153   7.418
  165   1HE   LYS  20          1HE       LYS  20  -0.186   8.491   8.852
  166   2HE   LYS  20          2HE       LYS  20   0.973   7.724   9.936
  167   1HZ   LYS  20          1HZ       LYS  20   0.466   9.946  10.682
  168   2HZ   LYS  20          2HZ       LYS  20   0.910  10.598   9.187
  169   3HZ   LYS  20          3HZ       LYS  20   2.079   9.881  10.177
  170    H    HIS  21           H        HIS  21  -1.783   6.178   4.160
  171    HA   HIS  21           HA       HIS  21  -1.866   3.585   5.379
  172   1HB   HIS  21          1HB       HIS  21  -3.946   4.519   5.512
  173   2HB   HIS  21          2HB       HIS  21  -3.781   5.373   3.986
  174    HD1  HIS  21           HD1      HIS  21  -5.714   2.756   5.420
  175    HD2  HIS  21           HD2      HIS  21  -3.869   3.328   1.752
  176    HE1  HIS  21           HE1      HIS  21  -6.900   1.232   3.785
  177    H    ILE  22           H        ILE  22  -1.361   4.767   2.086
  178    HA   ILE  22           HA       ILE  22  -1.868   2.313   0.793
  179    HB   ILE  22           HB       ILE  22  -0.211   3.280  -0.991
  180   1HG1  ILE  22          1HG1      ILE  22  -0.947   5.968  -0.409
  181   2HG1  ILE  22          2HG1      ILE  22  -0.120   5.299   0.996
  182   1HG2  ILE  22          1HG2      ILE  22  -3.002   4.070  -0.328
  183   2HG2  ILE  22          2HG2      ILE  22  -2.388   3.115  -1.678
  184   3HG2  ILE  22          3HG2      ILE  22  -2.188   4.867  -1.673
  185   1HD1  ILE  22          1HD1      ILE  22   1.822   4.817  -0.255
  186   2HD1  ILE  22          2HD1      ILE  22   1.337   6.458  -0.679
  187   3HD1  ILE  22          3HD1      ILE  22   0.993   5.124  -1.781
  188    H    THR  23           H        THR  23   1.181   3.692   1.935
  189    HA   THR  23           HA       THR  23   2.855   1.685   1.012
  190    HB   THR  23           HB       THR  23   3.160   3.242   3.589
  191    HG1  THR  23           HG1      THR  23   3.188   4.830   2.205
  192   1HG2  THR  23          1HG2      THR  23   5.606   3.058   3.038
  193   2HG2  THR  23          2HG2      THR  23   5.167   1.801   1.882
  194   3HG2  THR  23          3HG2      THR  23   4.830   1.577   3.599
  195    H    LEU  24           H        LEU  24   0.572   1.515   3.605
  196    HA   LEU  24           HA       LEU  24   1.733  -1.027   4.531
  197   1HB   LEU  24          1HB       LEU  24   0.169  -0.807   6.446
  198   2HB   LEU  24          2HB       LEU  24   1.329   0.507   6.338
  199    HG   LEU  24           HG       LEU  24  -0.717   1.525   4.913
  200   1HD1  LEU  24          1HD1      LEU  24  -2.742   0.772   5.432
  201   2HD1  LEU  24          2HD1      LEU  24  -2.343   0.611   7.146
  202   3HD1  LEU  24          3HD1      LEU  24  -1.909  -0.673   6.015
  203   1HD2  LEU  24          1HD2      LEU  24   0.553   2.606   6.730
  204   2HD2  LEU  24          2HD2      LEU  24  -0.438   1.739   7.904
  205   3HD2  LEU  24          3HD2      LEU  24  -1.178   2.922   6.826
  206    H    HIS  25           H        HIS  25  -1.274   0.460   3.369
  207    HA   HIS  25           HA       HIS  25  -2.774  -1.939   3.432
  208   1HB   HIS  25          1HB       HIS  25  -4.470  -0.531   3.090
  209   2HB   HIS  25          2HB       HIS  25  -3.338   0.788   2.922
  210    HD1  HIS  25           HD1      HIS  25  -5.040  -1.815   0.722
  211    HD2  HIS  25           HD2      HIS  25  -3.425   2.010   0.529
  212    HE1  HIS  25           HE1      HIS  25  -5.602  -0.914  -1.572
  213    H    GLU  26           H        GLU  26  -0.625  -0.480   1.068
  214    HA   GLU  26           HA       GLU  26  -1.450  -2.158  -1.093
  215   1HB   GLU  26          1HB       GLU  26   0.399  -1.325  -2.293
  216   2HB   GLU  26          2HB       GLU  26  -0.106   0.013  -1.272
  217   1HG   GLU  26          1HG       GLU  26   1.688  -0.669   0.342
  218   2HG   GLU  26          2HG       GLU  26   2.250  -1.811  -0.878
  219    H    LEU  27           H        LEU  27   0.402  -2.604   1.773
  220    HA   LEU  27           HA       LEU  27   1.754  -4.993   0.755
  221   1HB   LEU  27          1HB       LEU  27   1.865  -3.430   3.308
  222   2HB   LEU  27          2HB       LEU  27   2.445  -5.083   3.281
  223   1HD1  LEU  27          1HD1      LEU  27   3.823  -5.073   0.504
  224   2HD1  LEU  27          2HD1      LEU  27   4.392  -5.720   2.043
  225   3HD1  LEU  27          3HD1      LEU  27   5.360  -4.528   1.177
  226   1HD2  LEU  27          1HD2      LEU  27   3.447  -2.819   0.226
  227   2HD2  LEU  27          2HD2      LEU  27   4.274  -1.819   1.419
  228   3HD2  LEU  27          3HD2      LEU  27   2.522  -2.020   1.497
  229    H    LEU  28           H        LEU  28  -0.310  -4.259   3.574
  230    HA   LEU  28           HA       LEU  28  -1.341  -7.012   3.463
  231   1HB   LEU  28          1HB       LEU  28  -1.138  -4.991   5.682
  232   2HB   LEU  28          2HB       LEU  28  -2.212  -6.370   5.804
  233    HG   LEU  28           HG       LEU  28  -0.206  -6.918   6.965
  234   1HD1  LEU  28          1HD1      LEU  28   0.431  -8.930   5.914
  235   2HD1  LEU  28          2HD1      LEU  28   0.060  -8.299   4.309
  236   3HD1  LEU  28          3HD1      LEU  28  -1.245  -8.647   5.443
  237   1HD2  LEU  28          1HD2      LEU  28   1.458  -6.500   4.511
  238   2HD2  LEU  28          2HD2      LEU  28   1.961  -6.612   6.197
  239   3HD2  LEU  28          3HD2      LEU  28   1.133  -5.167   5.619
  240    H    GLY  29           H        GLY  29  -3.422  -7.393   2.964
  241   1HA   GLY  29          1HA       GLY  29  -5.103  -5.118   2.272
  242   2HA   GLY  29          2HA       GLY  29  -5.426  -6.805   1.903
  243    H    GLU  30           H        GLU  30  -5.067  -4.730   4.793
  244    HA   GLU  30           HA       GLU  30  -7.702  -5.329   5.710
  245   1HB   GLU  30          1HB       GLU  30  -6.706  -7.444   6.340
  246   2HB   GLU  30          2HB       GLU  30  -5.371  -6.623   7.134
  247   1HG   GLU  30          1HG       GLU  30  -6.917  -7.453   8.778
  248   2HG   GLU  30          2HG       GLU  30  -6.942  -5.690   8.777
  249    H    GLU  31           H        GLU  31  -8.346  -3.518   6.650
  250    HA   GLU  31           HA       GLU  31  -6.381  -1.669   7.758
  251   1HB   GLU  31          1HB       GLU  31  -9.250  -1.451   6.914
  252   2HB   GLU  31          2HB       GLU  31  -8.581  -0.253   8.013
  253   1HG   GLU  31          1HG       GLU  31  -6.682  -0.144   6.188
  254   2HG   GLU  31          2HG       GLU  31  -7.969  -0.760   5.153
  255    H    ARG  32           H        ARG  32  -7.536  -0.348   9.734
  256    HA   ARG  32           HA       ARG  32  -7.302  -1.995  11.970
  257   1HB   ARG  32          1HB       ARG  32  -7.082   0.501  11.945
  258   2HB   ARG  32          2HB       ARG  32  -8.833   0.608  11.848
  259   1HG   ARG  32          1HG       ARG  32  -7.920  -1.074  14.042
  260   2HG   ARG  32          2HG       ARG  32  -7.338   0.588  14.149
  261   1HD   ARG  32          1HD       ARG  32  -9.716   1.327  13.764
  262   2HD   ARG  32          2HD       ARG  32 -10.191  -0.360  13.952
  263    HE   ARG  32           HE       ARG  32  -9.882  -0.168  16.213
  264   1HH1  ARG  32          1HH1      ARG  32  -8.391   2.589  14.647
  265   2HH1  ARG  32          2HH1      ARG  32  -8.088   3.422  16.134
  266   1HH2  ARG  32          1HH2      ARG  32  -9.480   0.937  18.167
  267   2HH2  ARG  32          2HH2      ARG  32  -8.704   2.485  18.130
  268    H    ARG  33           H        ARG  33  -8.572  -3.611  12.569
  269    HA   ARG  33           HA       ARG  33 -11.296  -3.829  11.693
  270   1HB   ARG  33          1HB       ARG  33  -9.574  -5.517  13.504
  271   2HB   ARG  33          2HB       ARG  33 -11.262  -5.894  13.189
  272   1HG   ARG  33          1HG       ARG  33  -9.602  -5.452  10.800
  273   2HG   ARG  33          2HG       ARG  33  -9.194  -6.873  11.763
  274   1HD   ARG  33          1HD       ARG  33 -10.803  -7.877  10.565
  275   2HD   ARG  33          2HD       ARG  33 -11.903  -7.057  11.670
  276    HE   ARG  33           HE       ARG  33 -11.336  -6.334   8.900
  277   1HH1  ARG  33          1HH1      ARG  33 -13.012  -5.573  11.882
  278   2HH1  ARG  33          2HH1      ARG  33 -14.137  -4.505  11.116
  279   1HH2  ARG  33          1HH2      ARG  33 -12.821  -4.924   7.903
  280   2HH2  ARG  33          2HH2      ARG  33 -14.031  -4.136   8.860
  Start of MODEL   18
    1    H    TYR   1           H        TYR   1 -12.318  14.438   0.981
    2    HA   TYR   1           HA       TYR   1 -12.445  12.083   1.599
    3   1HB   TYR   1          1HB       TYR   1 -15.395  12.244   1.107
    4   2HB   TYR   1          2HB       TYR   1 -14.478  11.035   1.994
    5    HD1  TYR   1           HD1      TYR   1 -13.808  11.461   4.333
    6    HD2  TYR   1           HD2      TYR   1 -16.251  14.206   2.190
    7    HE1  TYR   1           HE1      TYR   1 -14.448  12.534   6.449
    8    HE2  TYR   1           HE2      TYR   1 -16.897  15.287   4.300
    9    HH   TYR   1           HH       TYR   1 -15.498  15.333   6.851
   10    H    LYS   2           H        LYS   2 -11.401  13.054  -0.475
   11    HA   LYS   2           HA       LYS   2 -12.791  11.844  -2.745
   12   1HB   LYS   2          1HB       LYS   2 -11.806  14.695  -2.653
   13   2HB   LYS   2          2HB       LYS   2 -12.103  13.842  -4.163
   14   1HG   LYS   2          1HG       LYS   2 -14.452  13.456  -3.366
   15   2HG   LYS   2          2HG       LYS   2 -14.099  14.559  -2.034
   16   1HD   LYS   2          1HD       LYS   2 -13.362  16.204  -3.873
   17   2HD   LYS   2          2HD       LYS   2 -14.234  15.137  -4.975
   18   1HE   LYS   2          1HE       LYS   2 -15.558  16.151  -2.491
   19   2HE   LYS   2          2HE       LYS   2 -15.453  17.176  -3.920
   20   1HZ   LYS   2          1HZ       LYS   2 -17.526  15.956  -3.886
   21   2HZ   LYS   2          2HZ       LYS   2 -16.700  14.482  -3.800
   22   3HZ   LYS   2          3HZ       LYS   2 -16.577  15.441  -5.189
   23    H    PHE   3           H        PHE   3 -10.728  10.638  -1.460
   24    HA   PHE   3           HA       PHE   3  -8.672  10.674  -3.520
   25   1HB   PHE   3          1HB       PHE   3  -8.123  12.156  -1.360
   26   2HB   PHE   3          2HB       PHE   3  -7.633  10.587  -0.729
   27    HD1  PHE   3           HD1      PHE   3  -7.157  12.776  -3.711
   28    HD2  PHE   3           HD2      PHE   3  -5.481   9.852  -1.118
   29    HE1  PHE   3           HE1      PHE   3  -4.995  12.990  -4.867
   30    HE2  PHE   3           HE2      PHE   3  -3.319  10.054  -2.266
   31    HZ   PHE   3           HZ       PHE   3  -3.073  11.629  -4.146
   32    H    ALA   4           H        ALA   4  -8.487   8.647  -4.176
   33    HA   ALA   4           HA       ALA   4  -8.818   6.491  -2.230
   34   1HB   ALA   4          1HB       ALA   4  -9.480   6.460  -5.167
   35   2HB   ALA   4          2HB       ALA   4 -10.635   6.504  -3.835
   36   3HB   ALA   4          3HB       ALA   4  -9.619   5.083  -4.074
   37    H    CYS   5           H        CYS   5  -7.291   4.917  -2.103
   38    HA   CYS   5           HA       CYS   5  -4.689   5.423  -2.987
   39   1HB   CYS   5          1HB       CYS   5  -5.780   2.712  -2.223
   40   2HB   CYS   5          2HB       CYS   5  -4.117   3.270  -2.092
   41    HG   CYS   5           HG       CYS   5  -6.321   3.741  -0.059
   42    HA   PRO   6           HA       PRO   6  -4.389   3.868  -7.105
   43   1HB   PRO   6          1HB       PRO   6  -2.018   2.489  -7.014
   44   2HB   PRO   6          2HB       PRO   6  -2.136   4.248  -7.129
   45   1HG   PRO   6          1HG       PRO   6  -1.658   2.532  -4.725
   46   2HG   PRO   6          2HG       PRO   6  -0.889   4.064  -5.180
   47   1HD   PRO   6          1HD       PRO   6  -2.830   3.949  -3.324
   48   2HD   PRO   6          2HD       PRO   6  -2.679   5.328  -4.432
   49    H    GLU   7           H        GLU   7  -4.303   1.660  -4.412
   50    HA   GLU   7           HA       GLU   7  -4.795  -0.626  -6.174
   51   1HB   GLU   7          1HB       GLU   7  -3.060  -1.027  -4.573
   52   2HB   GLU   7          2HB       GLU   7  -4.068  -0.460  -3.252
   53   1HG   GLU   7          1HG       GLU   7  -5.447  -2.373  -3.357
   54   2HG   GLU   7          2HG       GLU   7  -4.765  -2.866  -4.906
   55    H    CYS   8           H        CYS   8  -6.151   0.793  -3.154
   56    HA   CYS   8           HA       CYS   8  -8.666  -0.581  -3.780
   57   1HB   CYS   8          1HB       CYS   8  -9.343  -0.197  -1.497
   58   2HB   CYS   8          2HB       CYS   8  -7.790  -0.978  -1.537
   59    HG   CYS   8           HG       CYS   8  -7.549   0.850   0.218
   60    HA   PRO   9           HA       PRO   9 -10.880   3.090  -4.605
   61   1HB   PRO   9          1HB       PRO   9 -13.362   2.220  -4.181
   62   2HB   PRO   9          2HB       PRO   9 -12.349   1.492  -5.436
   63   1HG   PRO   9          1HG       PRO   9 -13.012   0.470  -2.705
   64   2HG   PRO   9          2HG       PRO   9 -12.860  -0.421  -4.230
   65   1HD   PRO   9          1HD       PRO   9 -10.875  -0.213  -2.263
   66   2HD   PRO   9          2HD       PRO   9 -10.614  -0.710  -3.941
   67    H    LYS  10           H        LYS  10 -10.440   2.101  -1.440
   68    HA   LYS  10           HA       LYS  10 -12.406   3.365   0.042
   69   1HB   LYS  10          1HB       LYS  10  -9.596   2.547   0.549
   70   2HB   LYS  10          2HB       LYS  10 -10.322   3.669   1.691
   71   1HG   LYS  10          1HG       LYS  10 -11.978   1.340   1.005
   72   2HG   LYS  10          2HG       LYS  10 -10.483   0.979   1.871
   73   1HD   LYS  10          1HD       LYS  10 -12.063   1.306   3.565
   74   2HD   LYS  10          2HD       LYS  10 -11.192   2.838   3.486
   75   1HE   LYS  10          1HE       LYS  10 -12.959   3.915   2.380
   76   2HE   LYS  10          2HE       LYS  10 -13.729   2.389   1.947
   77   1HZ   LYS  10          1HZ       LYS  10 -14.249   2.028   4.278
   78   2HZ   LYS  10          2HZ       LYS  10 -14.901   3.494   3.745
   79   3HZ   LYS  10          3HZ       LYS  10 -13.503   3.488   4.698
   80    H    ARG  11           H        ARG  11 -12.968   5.394   0.329
   81    HA   ARG  11           HA       ARG  11 -11.156   7.525  -0.537
   82   1HB   ARG  11          1HB       ARG  11 -13.145   8.986  -0.465
   83   2HB   ARG  11          2HB       ARG  11 -13.378   7.605  -1.526
   84   1HG   ARG  11          1HG       ARG  11 -14.634   6.485   0.303
   85   2HG   ARG  11          2HG       ARG  11 -14.497   7.970   1.246
   86   1HD   ARG  11          1HD       ARG  11 -16.601   8.119   0.239
   87   2HD   ARG  11          2HD       ARG  11 -15.565   9.131  -0.765
   88    HE   ARG  11           HE       ARG  11 -15.874   7.675  -2.507
   89   1HH1  ARG  11          1HH1      ARG  11 -16.988   6.145   0.441
   90   2HH1  ARG  11          2HH1      ARG  11 -17.704   4.802  -0.383
   91   1HH2  ARG  11          1HH2      ARG  11 -16.821   5.904  -3.585
   92   2HH2  ARG  11          2HH2      ARG  11 -17.609   4.664  -2.668
   93    H    PHE  12           H        PHE  12  -9.991   8.532   0.952
   94    HA   PHE  12           HA       PHE  12 -10.752   8.291   3.758
   95   1HB   PHE  12          1HB       PHE  12  -8.207   9.392   2.539
   96   2HB   PHE  12          2HB       PHE  12  -8.492   9.133   4.252
   97    HD1  PHE  12           HD1      PHE  12  -7.294   7.376   5.084
   98    HD2  PHE  12           HD2      PHE  12  -8.909   7.045   1.160
   99    HE1  PHE  12           HE1      PHE  12  -6.362   5.108   4.891
  100    HE2  PHE  12           HE2      PHE  12  -7.984   4.778   0.964
  101    HZ   PHE  12           HZ       PHE  12  -6.702   3.798   2.829
  102    H    MET  13           H        MET  13  -8.845  11.057   2.939
  103    HA   MET  13           HA       MET  13 -11.080  12.887   2.807
  104   1HB   MET  13          1HB       MET  13  -9.156  13.002   5.139
  105   2HB   MET  13          2HB       MET  13 -10.397  14.191   4.778
  106   1HG   MET  13          1HG       MET  13 -12.088  12.362   5.057
  107   2HG   MET  13          2HG       MET  13 -10.780  11.342   5.653
  108   1HE   MET  13          1HE       MET  13 -12.873  11.225   7.202
  109   2HE   MET  13          2HE       MET  13 -13.119  12.277   8.596
  110   3HE   MET  13          3HE       MET  13 -11.766  11.146   8.573
  111    H    ARG  14           H        ARG  14  -7.576  12.627   3.392
  112    HA   ARG  14           HA       ARG  14  -7.153  14.761   1.400
  113   1HB   ARG  14          1HB       ARG  14  -5.545  14.189   3.899
  114   2HB   ARG  14          2HB       ARG  14  -5.099  15.362   2.669
  115   1HG   ARG  14          1HG       ARG  14  -6.749  16.837   3.278
  116   2HG   ARG  14          2HG       ARG  14  -7.769  15.576   3.971
  117   1HD   ARG  14          1HD       ARG  14  -7.021  16.378   5.934
  118   2HD   ARG  14          2HD       ARG  14  -5.596  15.405   5.574
  119    HE   ARG  14           HE       ARG  14  -5.269  17.931   4.406
  120   1HH1  ARG  14          1HH1      ARG  14  -5.402  16.468   7.584
  121   2HH1  ARG  14          2HH1      ARG  14  -4.387  17.667   8.312
  122   1HH2  ARG  14          1HH2      ARG  14  -3.933  19.507   5.370
  123   2HH2  ARG  14          2HH2      ARG  14  -3.553  19.393   7.056
  124    H    SER  15           H        SER  15  -4.789  14.676   0.568
  125    HA   SER  15           HA       SER  15  -4.430  12.178  -0.717
  126   1HB   SER  15          1HB       SER  15  -2.353  13.222  -1.620
  127   2HB   SER  15          2HB       SER  15  -3.783  14.223  -1.839
  128    HG   SER  15           HG       SER  15  -1.563  14.611  -0.199
  129    H    ASP  16           H        ASP  16  -2.810  13.747   2.008
  130    HA   ASP  16           HA       ASP  16  -0.755  11.781   2.247
  131   1HB   ASP  16          1HB       ASP  16  -1.512  13.292   4.675
  132   2HB   ASP  16          2HB       ASP  16   0.072  13.019   3.969
  133    H    HIS  17           H        HIS  17  -4.009  12.098   3.523
  134    HA   HIS  17           HA       HIS  17  -3.958  10.330   5.655
  135   1HB   HIS  17          1HB       HIS  17  -6.092  11.021   3.652
  136   2HB   HIS  17          2HB       HIS  17  -6.388   9.805   4.889
  137    HD1  HIS  17           HD1      HIS  17  -8.174  11.282   6.030
  138    HD2  HIS  17           HD2      HIS  17  -4.397  13.006   5.877
  139    HE1  HIS  17           HE1      HIS  17  -8.271  13.257   7.585
  140    HE2  HIS  17           HE2      HIS  17  -5.937  14.203   7.572
  141    H    LEU  18           H        LEU  18  -4.072   9.673   2.201
  142    HA   LEU  18           HA       LEU  18  -4.312   6.803   2.572
  143   1HB   LEU  18          1HB       LEU  18  -3.834   8.489   0.128
  144   2HB   LEU  18          2HB       LEU  18  -3.983   6.749   0.097
  145    HG   LEU  18           HG       LEU  18  -6.298   6.951   0.919
  146   1HD1  LEU  18          1HD1      LEU  18  -7.329   9.255   0.707
  147   2HD1  LEU  18          2HD1      LEU  18  -5.683   9.885   0.744
  148   3HD1  LEU  18          3HD1      LEU  18  -6.310   8.983   2.122
  149   1HD2  LEU  18          1HD2      LEU  18  -6.716   8.598  -1.313
  150   2HD2  LEU  18          2HD2      LEU  18  -6.729   6.837  -1.246
  151   3HD2  LEU  18          3HD2      LEU  18  -5.233   7.697  -1.616
  152    H    SER  19           H        SER  19  -1.934   9.175   1.475
  153    HA   SER  19           HA       SER  19   0.161   7.686   0.659
  154   1HB   SER  19          1HB       SER  19   0.319  10.089   0.692
  155   2HB   SER  19          2HB       SER  19   0.236  10.127   2.454
  156    HG   SER  19           HG       SER  19   2.359   9.400   0.773
  157    H    LYS  20           H        LYS  20  -0.819   8.120   4.025
  158    HA   LYS  20           HA       LYS  20   1.417   6.596   5.047
  159   1HB   LYS  20          1HB       LYS  20   0.382   8.483   6.307
  160   2HB   LYS  20          2HB       LYS  20  -1.083   7.527   6.472
  161   1HG   LYS  20          1HG       LYS  20   0.870   5.841   7.429
  162   2HG   LYS  20          2HG       LYS  20   1.393   7.429   7.989
  163   1HD   LYS  20          1HD       LYS  20  -0.004   6.586   9.692
  164   2HD   LYS  20          2HD       LYS  20  -0.986   7.760   8.815
  165   1HE   LYS  20          1HE       LYS  20  -2.476   6.034   8.942
  166   2HE   LYS  20          2HE       LYS  20  -1.677   5.623   7.426
  167   1HZ   LYS  20          1HZ       LYS  20  -1.870   3.693   8.844
  168   2HZ   LYS  20          2HZ       LYS  20  -1.044   4.478  10.093
  169   3HZ   LYS  20          3HZ       LYS  20  -0.239   4.101   8.655
  170    H    HIS  21           H        HIS  21  -1.946   6.039   4.198
  171    HA   HIS  21           HA       HIS  21  -2.040   3.433   5.438
  172   1HB   HIS  21          1HB       HIS  21  -4.152   4.311   5.465
  173   2HB   HIS  21          2HB       HIS  21  -3.935   5.169   3.947
  174    HD1  HIS  21           HD1      HIS  21  -5.797   2.439   5.299
  175    HD2  HIS  21           HD2      HIS  21  -3.875   3.166   1.696
  176    HE1  HIS  21           HE1      HIS  21  -6.855   0.884   3.605
  177    H    ILE  22           H        ILE  22  -1.353   4.700   2.224
  178    HA   ILE  22           HA       ILE  22  -1.701   2.259   0.843
  179    HB   ILE  22           HB       ILE  22   0.016   3.336  -0.805
  180   1HG1  ILE  22          1HG1      ILE  22  -0.866   5.974  -0.085
  181   2HG1  ILE  22          2HG1      ILE  22   0.005   5.234   1.251
  182   1HG2  ILE  22          1HG2      ILE  22  -2.120   3.134  -1.625
  183   2HG2  ILE  22          2HG2      ILE  22  -1.961   4.890  -1.563
  184   3HG2  ILE  22          3HG2      ILE  22  -2.835   4.039  -0.289
  185   1HD1  ILE  22          1HD1      ILE  22   1.921   4.843  -0.154
  186   2HD1  ILE  22          2HD1      ILE  22   1.458   6.543  -0.234
  187   3HD1  ILE  22          3HD1      ILE  22   1.044   5.454  -1.558
  188    H    THR  23           H        THR  23   1.162   3.722   2.285
  189    HA   THR  23           HA       THR  23   3.027   1.881   1.390
  190    HB   THR  23           HB       THR  23   3.028   3.255   4.087
  191    HG1  THR  23           HG1      THR  23   3.062   4.952   2.843
  192   1HG2  THR  23          1HG2      THR  23   5.237   2.056   2.449
  193   2HG2  THR  23          2HG2      THR  23   4.806   1.722   4.126
  194   3HG2  THR  23          3HG2      THR  23   5.522   3.273   3.693
  195    H    LEU  24           H        LEU  24   0.546   1.414   3.739
  196    HA   LEU  24           HA       LEU  24   1.750  -1.130   4.602
  197   1HB   LEU  24          1HB       LEU  24  -0.002  -1.097   6.379
  198   2HB   LEU  24          2HB       LEU  24   1.141   0.234   6.472
  199    HG   LEU  24           HG       LEU  24  -0.804   1.319   4.939
  200   1HD1  LEU  24          1HD1      LEU  24  -2.037  -0.951   5.804
  201   2HD1  LEU  24          2HD1      LEU  24  -2.857   0.524   5.291
  202   3HD1  LEU  24          3HD1      LEU  24  -2.554   0.234   7.005
  203   1HD2  LEU  24          1HD2      LEU  24  -0.787   1.377   7.948
  204   2HD2  LEU  24          2HD2      LEU  24  -1.402   2.621   6.859
  205   3HD2  LEU  24          3HD2      LEU  24   0.328   2.284   6.924
  206    H    HIS  25           H        HIS  25  -1.190   0.313   3.259
  207    HA   HIS  25           HA       HIS  25  -2.558  -2.176   3.014
  208   1HB   HIS  25          1HB       HIS  25  -4.306  -0.781   2.883
  209   2HB   HIS  25          2HB       HIS  25  -3.233   0.594   2.752
  210    HD1  HIS  25           HD1      HIS  25  -5.168  -1.827   0.591
  211    HD2  HIS  25           HD2      HIS  25  -3.141   1.797   0.301
  212    HE1  HIS  25           HE1      HIS  25  -5.746  -0.863  -1.675
  213    H    GLU  26           H        GLU  26  -0.449  -0.299   0.949
  214    HA   GLU  26           HA       GLU  26  -1.081  -1.948  -1.370
  215   1HB   GLU  26          1HB       GLU  26  -0.677   0.480  -1.643
  216   2HB   GLU  26          2HB       GLU  26   0.959   0.263  -1.042
  217   1HG   GLU  26          1HG       GLU  26   1.163   0.378  -3.364
  218   2HG   GLU  26          2HG       GLU  26   1.309  -1.334  -2.973
  219    H    LEU  27           H        LEU  27   1.143  -1.890   1.267
  220    HA   LEU  27           HA       LEU  27   2.934  -3.747  -0.169
  221   1HB   LEU  27          1HB       LEU  27   3.411  -2.147   2.345
  222   2HB   LEU  27          2HB       LEU  27   4.557  -3.272   1.644
  223   1HD1  LEU  27          1HD1      LEU  27   4.184  -2.400  -1.359
  224   2HD1  LEU  27          2HD1      LEU  27   5.646  -2.813  -0.462
  225   3HD1  LEU  27          3HD1      LEU  27   5.501  -1.233  -1.233
  226   1HD2  LEU  27          1HD2      LEU  27   2.890  -0.595  -0.769
  227   2HD2  LEU  27          2HD2      LEU  27   3.719   0.576   0.254
  228   3HD2  LEU  27          3HD2      LEU  27   2.474  -0.472   0.941
  229    H    LEU  28           H        LEU  28   1.945  -3.321   3.242
  230    HA   LEU  28           HA       LEU  28   2.291  -6.027   3.925
  231   1HB   LEU  28          1HB       LEU  28   1.444  -3.626   5.219
  232   2HB   LEU  28          2HB       LEU  28   0.294  -4.893   5.600
  233    HG   LEU  28           HG       LEU  28   2.354  -6.305   6.238
  234   1HD1  LEU  28          1HD1      LEU  28   4.293  -5.020   6.974
  235   2HD1  LEU  28          2HD1      LEU  28   3.567  -3.546   6.331
  236   3HD1  LEU  28          3HD1      LEU  28   4.035  -4.848   5.237
  237   1HD2  LEU  28          1HD2      LEU  28   2.355  -5.381   8.492
  238   2HD2  LEU  28          2HD2      LEU  28   0.719  -5.432   7.836
  239   3HD2  LEU  28          3HD2      LEU  28   1.595  -3.903   7.897
  240    H    GLY  29           H        GLY  29  -0.472  -4.273   2.629
  241   1HA   GLY  29          1HA       GLY  29  -2.307  -5.147   1.513
  242   2HA   GLY  29          2HA       GLY  29  -1.754  -6.763   1.924
  243    H    GLU  30           H        GLU  30  -2.486  -4.024   4.071
  244    HA   GLU  30           HA       GLU  30  -4.652  -5.641   5.241
  245   1HB   GLU  30          1HB       GLU  30  -2.438  -5.345   6.585
  246   2HB   GLU  30          2HB       GLU  30  -3.040  -3.722   6.891
  247   1HG   GLU  30          1HG       GLU  30  -4.496  -6.271   7.563
  248   2HG   GLU  30          2HG       GLU  30  -3.571  -5.292   8.700
  249    H    GLU  31           H        GLU  31  -6.384  -4.655   4.340
  250    HA   GLU  31           HA       GLU  31  -6.626  -1.737   4.626
  251   1HB   GLU  31          1HB       GLU  31  -6.952  -3.054   2.368
  252   2HB   GLU  31          2HB       GLU  31  -8.548  -3.385   3.027
  253   1HG   GLU  31          1HG       GLU  31  -7.377  -0.639   2.639
  254   2HG   GLU  31          2HG       GLU  31  -8.493  -1.430   1.529
  255    H    ARG  32           H        ARG  32  -7.848  -0.999   6.238
  256    HA   ARG  32           HA       ARG  32  -9.358  -2.711   7.916
  257   1HB   ARG  32          1HB       ARG  32  -8.245  -0.440   8.469
  258   2HB   ARG  32          2HB       ARG  32  -9.723   0.273   7.837
  259   1HG   ARG  32          1HG       ARG  32 -10.482  -1.757   9.653
  260   2HG   ARG  32          2HG       ARG  32  -9.215  -0.801  10.423
  261   1HD   ARG  32          1HD       ARG  32 -11.190   0.301  11.003
  262   2HD   ARG  32          2HD       ARG  32 -10.551   1.244   9.658
  263    HE   ARG  32           HE       ARG  32 -12.417  -0.791   8.856
  264   1HH1  ARG  32          1HH1      ARG  32 -12.105   2.503  10.001
  265   2HH1  ARG  32          2HH1      ARG  32 -13.620   3.008   9.332
  266   1HH2  ARG  32          1HH2      ARG  32 -14.413  -0.119   7.979
  267   2HH2  ARG  32          2HH2      ARG  32 -14.930   1.520   8.186
  268    H    ARG  33           H        ARG  33 -11.112  -3.713   7.155
  269    HA   ARG  33           HA       ARG  33 -12.908  -2.445   5.284
  270   1HB   ARG  33          1HB       ARG  33 -14.174  -4.574   5.420
  271   2HB   ARG  33          2HB       ARG  33 -12.481  -4.805   5.012
  272   1HG   ARG  33          1HG       ARG  33 -12.200  -6.164   6.735
  273   2HG   ARG  33          2HG       ARG  33 -12.812  -4.946   7.855
  274   1HD   ARG  33          1HD       ARG  33 -15.139  -5.656   7.089
  275   2HD   ARG  33          2HD       ARG  33 -14.348  -7.050   6.358
  276    HE   ARG  33           HE       ARG  33 -13.989  -7.930   8.456
  277   1HH1  ARG  33          1HH1      ARG  33 -15.154  -4.640   8.767
  278   2HH1  ARG  33          2HH1      ARG  33 -15.436  -4.773  10.469
  279   1HH2  ARG  33          1HH2      ARG  33 -14.363  -8.096  10.698
  280   2HH2  ARG  33          2HH2      ARG  33 -14.987  -6.732  11.566
  Start of MODEL   19
    1    H    TYR   1           H        TYR   1 -13.208  15.136   0.299
    2    HA   TYR   1           HA       TYR   1 -12.439  12.937   1.055
    3   1HB   TYR   1          1HB       TYR   1 -15.433  12.519   1.092
    4   2HB   TYR   1          2HB       TYR   1 -14.289  11.185   0.995
    5    HD1  TYR   1           HD1      TYR   1 -12.993  10.518   2.918
    6    HD2  TYR   1           HD2      TYR   1 -15.616  13.861   3.135
    7    HE1  TYR   1           HE1      TYR   1 -12.803  10.500   5.370
    8    HE2  TYR   1           HE2      TYR   1 -15.433  13.853   5.586
    9    HH   TYR   1           HH       TYR   1 -14.754  11.705   7.376
   10    H    LYS   2           H        LYS   2 -11.428  13.204  -0.929
   11    HA   LYS   2           HA       LYS   2 -12.743  11.914  -3.167
   12   1HB   LYS   2          1HB       LYS   2 -13.113  14.540  -3.127
   13   2HB   LYS   2          2HB       LYS   2 -11.494  14.549  -3.809
   14   1HG   LYS   2          1HG       LYS   2 -12.866  14.564  -5.675
   15   2HG   LYS   2          2HG       LYS   2 -12.424  12.864  -5.512
   16   1HD   LYS   2          1HD       LYS   2 -14.642  12.519  -5.699
   17   2HD   LYS   2          2HD       LYS   2 -14.665  12.955  -3.990
   18   1HE   LYS   2          1HE       LYS   2 -14.919  15.038  -6.134
   19   2HE   LYS   2          2HE       LYS   2 -16.320  14.124  -5.579
   20   1HZ   LYS   2          1HZ       LYS   2 -14.593  15.931  -3.985
   21   2HZ   LYS   2          2HZ       LYS   2 -15.714  14.878  -3.282
   22   3HZ   LYS   2          3HZ       LYS   2 -16.241  16.104  -4.321
   23    H    PHE   3           H        PHE   3 -10.766  10.767  -1.847
   24    HA   PHE   3           HA       PHE   3  -8.595  10.761  -3.775
   25   1HB   PHE   3          1HB       PHE   3  -8.170  12.373  -1.691
   26   2HB   PHE   3          2HB       PHE   3  -7.717  10.855  -0.926
   27    HD1  PHE   3           HD1      PHE   3  -6.834  13.331  -3.455
   28    HD2  PHE   3           HD2      PHE   3  -5.768   9.618  -1.682
   29    HE1  PHE   3           HE1      PHE   3  -4.599  13.488  -4.470
   30    HE2  PHE   3           HE2      PHE   3  -3.530   9.761  -2.688
   31    HZ   PHE   3           HZ       PHE   3  -2.944  11.705  -4.089
   32    H    ALA   4           H        ALA   4  -8.496   8.684  -4.332
   33    HA   ALA   4           HA       ALA   4  -8.816   6.653  -2.253
   34   1HB   ALA   4          1HB       ALA   4  -9.449   6.422  -5.187
   35   2HB   ALA   4          2HB       ALA   4 -10.622   6.589  -3.881
   36   3HB   ALA   4          3HB       ALA   4  -9.627   5.136  -3.993
   37    H    CYS   5           H        CYS   5  -7.377   4.961  -2.126
   38    HA   CYS   5           HA       CYS   5  -4.733   5.418  -2.961
   39   1HB   CYS   5          1HB       CYS   5  -5.955   2.799  -2.070
   40   2HB   CYS   5          2HB       CYS   5  -4.245   3.216  -2.051
   41    HG   CYS   5           HG       CYS   5  -6.039   3.661   0.204
   42    HA   PRO   6           HA       PRO   6  -4.432   3.744  -7.030
   43   1HB   PRO   6          1HB       PRO   6  -1.973   2.321  -6.219
   44   2HB   PRO   6          2HB       PRO   6  -2.194   3.579  -7.439
   45   1HG   PRO   6          1HG       PRO   6  -0.952   4.086  -5.122
   46   2HG   PRO   6          2HG       PRO   6  -1.990   5.292  -5.902
   47   1HD   PRO   6          1HD       PRO   6  -2.580   3.505  -3.575
   48   2HD   PRO   6          2HD       PRO   6  -3.009   5.209  -3.824
   49    H    GLU   7           H        GLU   7  -4.250   1.612  -4.267
   50    HA   GLU   7           HA       GLU   7  -4.750  -0.734  -5.942
   51   1HB   GLU   7          1HB       GLU   7  -2.975  -0.776  -4.166
   52   2HB   GLU   7          2HB       GLU   7  -4.253  -0.650  -2.969
   53   1HG   GLU   7          1HG       GLU   7  -5.143  -2.757  -4.384
   54   2HG   GLU   7          2HG       GLU   7  -3.404  -2.942  -4.605
   55    H    CYS   8           H        CYS   8  -6.142   0.829  -3.012
   56    HA   CYS   8           HA       CYS   8  -8.605  -0.681  -3.516
   57   1HB   CYS   8          1HB       CYS   8  -9.294  -0.151  -1.270
   58   2HB   CYS   8          2HB       CYS   8  -7.704  -0.856  -1.251
   59    HG   CYS   8           HG       CYS   8  -7.698   1.164   0.370
   60    HA   PRO   9           HA       PRO   9 -10.977   2.807  -4.624
   61   1HB   PRO   9          1HB       PRO   9 -13.421   1.903  -4.049
   62   2HB   PRO   9          2HB       PRO   9 -12.419   1.106  -5.267
   63   1HG   PRO   9          1HG       PRO   9 -12.980   0.293  -2.448
   64   2HG   PRO   9          2HG       PRO   9 -12.822  -0.714  -3.897
   65   1HD   PRO   9          1HD       PRO   9 -10.813  -0.271  -1.998
   66   2HD   PRO   9          2HD       PRO   9 -10.563  -0.899  -3.632
   67    H    LYS  10           H        LYS  10 -10.605   2.020  -1.338
   68    HA   LYS  10           HA       LYS  10 -12.545   3.490  -0.026
   69   1HB   LYS  10          1HB       LYS  10 -10.004   2.292   0.638
   70   2HB   LYS  10          2HB       LYS  10 -10.192   3.830   1.468
   71   1HG   LYS  10          1HG       LYS  10 -11.043   2.189   2.922
   72   2HG   LYS  10          2HG       LYS  10 -12.447   3.007   2.235
   73   1HD   LYS  10          1HD       LYS  10 -13.071   0.796   2.039
   74   2HD   LYS  10          2HD       LYS  10 -12.335   1.088   0.462
   75   1HE   LYS  10          1HE       LYS  10 -11.351  -0.906   1.074
   76   2HE   LYS  10          2HE       LYS  10 -10.158   0.266   1.630
   77   1HZ   LYS  10          1HZ       LYS  10 -11.042   0.088   3.856
   78   2HZ   LYS  10          2HZ       LYS  10 -10.615  -1.447   3.290
   79   3HZ   LYS  10          3HZ       LYS  10 -12.242  -0.988   3.337
   80    H    ARG  11           H        ARG  11 -12.985   5.562   0.183
   81    HA   ARG  11           HA       ARG  11 -11.107   7.527  -0.902
   82   1HB   ARG  11          1HB       ARG  11 -13.023   9.073  -0.925
   83   2HB   ARG  11          2HB       ARG  11 -13.354   7.606  -1.835
   84   1HG   ARG  11          1HG       ARG  11 -14.273   7.049   0.727
   85   2HG   ARG  11          2HG       ARG  11 -14.740   8.726   0.440
   86   1HD   ARG  11          1HD       ARG  11 -16.244   8.171  -1.138
   87   2HD   ARG  11          2HD       ARG  11 -15.214   6.913  -1.821
   88    HE   ARG  11           HE       ARG  11 -17.214   6.608   0.256
   89   1HH1  ARG  11          1HH1      ARG  11 -14.492   5.161  -1.415
   90   2HH1  ARG  11          2HH1      ARG  11 -14.914   3.547  -0.954
   91   1HH2  ARG  11          1HH2      ARG  11 -17.759   4.479   0.856
   92   2HH2  ARG  11          2HH2      ARG  11 -16.768   3.158   0.333
   93    H    PHE  12           H        PHE  12  -9.870   8.622   0.439
   94    HA   PHE  12           HA       PHE  12 -10.548   8.735   3.283
   95   1HB   PHE  12          1HB       PHE  12  -8.000   9.540   1.866
   96   2HB   PHE  12          2HB       PHE  12  -8.233   9.499   3.603
   97    HD1  PHE  12           HD1      PHE  12  -6.982   7.842   4.542
   98    HD2  PHE  12           HD2      PHE  12  -8.952   7.040   0.854
   99    HE1  PHE  12           HE1      PHE  12  -6.138   5.534   4.594
  100    HE2  PHE  12           HE2      PHE  12  -8.116   4.729   0.907
  101    HZ   PHE  12           HZ       PHE  12  -6.700   3.967   2.777
  102    H    MET  13           H        MET  13  -9.505  10.953   4.249
  103    HA   MET  13           HA       MET  13 -11.219  13.031   3.197
  104   1HB   MET  13          1HB       MET  13 -10.389  12.380   5.723
  105   2HB   MET  13          2HB       MET  13  -9.356  13.755   5.353
  106   1HG   MET  13          1HG       MET  13 -11.969  14.437   4.538
  107   2HG   MET  13          2HG       MET  13 -12.089  13.720   6.144
  108   1HE   MET  13          1HE       MET  13 -12.700  17.047   5.400
  109   2HE   MET  13          2HE       MET  13 -12.280  17.444   7.065
  110   3HE   MET  13          3HE       MET  13 -13.168  15.962   6.710
  111    H    ARG  14           H        ARG  14  -7.729  12.471   3.544
  112    HA   ARG  14           HA       ARG  14  -7.259  14.586   1.557
  113   1HB   ARG  14          1HB       ARG  14  -5.853  14.276   4.210
  114   2HB   ARG  14          2HB       ARG  14  -5.184  15.212   2.884
  115   1HG   ARG  14          1HG       ARG  14  -6.286  16.954   3.698
  116   2HG   ARG  14          2HG       ARG  14  -7.769  16.173   3.145
  117   1HD   ARG  14          1HD       ARG  14  -8.417  16.180   5.278
  118   2HD   ARG  14          2HD       ARG  14  -7.223  14.912   5.542
  119    HE   ARG  14           HE       ARG  14  -5.945  17.399   5.736
  120   1HH1  ARG  14          1HH1      ARG  14  -8.294  15.474   7.477
  121   2HH1  ARG  14          2HH1      ARG  14  -7.901  16.164   9.015
  122   1HH2  ARG  14          1HH2      ARG  14  -5.433  18.305   7.766
  123   2HH2  ARG  14          2HH2      ARG  14  -6.278  17.770   9.181
  124    H    SER  15           H        SER  15  -5.189  14.415   0.460
  125    HA   SER  15           HA       SER  15  -4.626  11.871  -0.497
  126   1HB   SER  15          1HB       SER  15  -2.595  12.896  -1.484
  127   2HB   SER  15          2HB       SER  15  -4.031  13.884  -1.733
  128    HG   SER  15           HG       SER  15  -2.418  15.235  -1.044
  129    H    ASP  16           H        ASP  16  -3.021  13.705   2.079
  130    HA   ASP  16           HA       ASP  16  -0.878  11.926   2.501
  131   1HB   ASP  16          1HB       ASP  16  -0.953  12.973   4.894
  132   2HB   ASP  16          2HB       ASP  16  -0.517  13.972   3.515
  133    H    HIS  17           H        HIS  17  -4.189  11.933   3.714
  134    HA   HIS  17           HA       HIS  17  -3.954  10.077   5.784
  135   1HB   HIS  17          1HB       HIS  17  -6.227  10.642   3.877
  136   2HB   HIS  17          2HB       HIS  17  -6.369   9.493   5.199
  137    HD1  HIS  17           HD1      HIS  17  -8.309  11.204   5.968
  138    HD2  HIS  17           HD2      HIS  17  -4.403  12.581   6.267
  139    HE1  HIS  17           HE1      HIS  17  -8.411  13.186   7.510
  140    HE2  HIS  17           HE2      HIS  17  -6.050  14.058   7.601
  141    H    LEU  18           H        LEU  18  -3.947   9.631   2.318
  142    HA   LEU  18           HA       LEU  18  -4.165   6.735   2.511
  143   1HB   LEU  18          1HB       LEU  18  -3.623   8.491   0.129
  144   2HB   LEU  18          2HB       LEU  18  -3.939   6.772   0.078
  145    HG   LEU  18           HG       LEU  18  -6.202   7.383   1.162
  146   1HD1  LEU  18          1HD1      LEU  18  -6.889   9.691   0.204
  147   2HD1  LEU  18          2HD1      LEU  18  -5.161  10.037   0.268
  148   3HD1  LEU  18          3HD1      LEU  18  -6.031   9.615   1.742
  149   1HD2  LEU  18          1HD2      LEU  18  -6.832   8.243  -1.310
  150   2HD2  LEU  18          2HD2      LEU  18  -6.523   6.557  -0.900
  151   3HD2  LEU  18          3HD2      LEU  18  -5.240   7.547  -1.602
  152    H    SER  19           H        SER  19  -1.845   9.160   1.357
  153    HA   SER  19           HA       SER  19   0.248   7.707   0.536
  154   1HB   SER  19          1HB       SER  19   0.373  10.117   0.575
  155   2HB   SER  19          2HB       SER  19   0.373  10.139   2.339
  156    HG   SER  19           HG       SER  19   2.419   9.439   0.557
  157    H    LYS  20           H        LYS  20  -0.610   8.138   3.944
  158    HA   LYS  20           HA       LYS  20   1.663   6.585   4.848
  159   1HB   LYS  20          1HB       LYS  20  -0.724   7.726   6.315
  160   2HB   LYS  20          2HB       LYS  20   0.574   6.835   7.097
  161   1HG   LYS  20          1HG       LYS  20   1.800   8.854   5.567
  162   2HG   LYS  20          2HG       LYS  20   0.441   9.603   6.407
  163   1HD   LYS  20          1HD       LYS  20   1.660   7.934   8.296
  164   2HD   LYS  20          2HD       LYS  20   2.985   8.730   7.446
  165   1HE   LYS  20          1HE       LYS  20   1.966  10.906   7.893
  166   2HE   LYS  20          2HE       LYS  20   0.632  10.115   8.729
  167   1HZ   LYS  20          1HZ       LYS  20   2.266  10.950  10.290
  168   2HZ   LYS  20          2HZ       LYS  20   3.484  10.038   9.555
  169   3HZ   LYS  20          3HZ       LYS  20   2.211   9.261  10.353
  170    H    HIS  21           H        HIS  21  -1.761   6.105   4.224
  171    HA   HIS  21           HA       HIS  21  -1.856   3.500   5.444
  172   1HB   HIS  21          1HB       HIS  21  -3.947   4.402   5.562
  173   2HB   HIS  21          2HB       HIS  21  -3.763   5.305   4.067
  174    HD1  HIS  21           HD1      HIS  21  -5.717   2.651   5.381
  175    HD2  HIS  21           HD2      HIS  21  -3.785   3.309   1.772
  176    HE1  HIS  21           HE1      HIS  21  -6.865   1.166   3.685
  177    H    ILE  22           H        ILE  22  -1.270   4.743   2.200
  178    HA   ILE  22           HA       ILE  22  -1.743   2.312   0.838
  179    HB   ILE  22           HB       ILE  22  -0.083   3.339  -0.895
  180   1HG1  ILE  22          1HG1      ILE  22  -0.819   6.009  -0.178
  181   2HG1  ILE  22          2HG1      ILE  22   0.039   5.258   1.163
  182   1HG2  ILE  22          1HG2      ILE  22  -2.866   4.217  -0.234
  183   2HG2  ILE  22          2HG2      ILE  22  -2.301   3.180  -1.544
  184   3HG2  ILE  22          3HG2      ILE  22  -2.013   4.918  -1.609
  185   1HD1  ILE  22          1HD1      ILE  22   1.078   5.266  -1.649
  186   2HD1  ILE  22          2HD1      ILE  22   1.944   4.832  -0.175
  187   3HD1  ILE  22          3HD1      ILE  22   1.470   6.506  -0.459
  188    H    THR  23           H        THR  23   1.250   3.701   2.102
  189    HA   THR  23           HA       THR  23   2.989   1.769   1.141
  190    HB   THR  23           HB       THR  23   3.177   3.219   3.792
  191    HG1  THR  23           HG1      THR  23   4.009   3.948   1.184
  192   1HG2  THR  23          1HG2      THR  23   4.865   1.584   3.834
  193   2HG2  THR  23          2HG2      THR  23   5.653   3.078   3.325
  194   3HG2  THR  23          3HG2      THR  23   5.261   1.837   2.134
  195    H    LEU  24           H        LEU  24   0.622   1.437   3.627
  196    HA   LEU  24           HA       LEU  24   1.790  -1.126   4.477
  197   1HB   LEU  24          1HB       LEU  24   0.135  -1.003   6.341
  198   2HB   LEU  24          2HB       LEU  24   1.327   0.283   6.351
  199    HG   LEU  24           HG       LEU  24  -0.655   1.426   4.913
  200   1HD1  LEU  24          1HD1      LEU  24  -2.739   0.786   5.458
  201   2HD1  LEU  24          2HD1      LEU  24  -2.285   0.325   7.101
  202   3HD1  LEU  24          3HD1      LEU  24  -1.953  -0.765   5.754
  203   1HD2  LEU  24          1HD2      LEU  24   0.610   2.366   6.826
  204   2HD2  LEU  24          2HD2      LEU  24  -0.474   1.501   7.916
  205   3HD2  LEU  24          3HD2      LEU  24  -1.109   2.759   6.855
  206    H    HIS  25           H        HIS  25  -1.228   0.378   3.363
  207    HA   HIS  25           HA       HIS  25  -2.668  -2.055   3.194
  208   1HB   HIS  25          1HB       HIS  25  -4.378  -0.620   3.011
  209   2HB   HIS  25          2HB       HIS  25  -3.261   0.718   2.856
  210    HD1  HIS  25           HD1      HIS  25  -5.162  -1.746   0.692
  211    HD2  HIS  25           HD2      HIS  25  -3.249   1.938   0.433
  212    HE1  HIS  25           HE1      HIS  25  -5.728  -0.805  -1.583
  213    H    GLU  26           H        GLU  26  -0.549  -0.336   0.997
  214    HA   GLU  26           HA       GLU  26  -1.301  -1.936  -1.286
  215   1HB   GLU  26          1HB       GLU  26  -0.423   0.365  -1.546
  216   2HB   GLU  26          2HB       GLU  26   1.110  -0.154  -0.860
  217   1HG   GLU  26          1HG       GLU  26   1.419  -0.085  -3.186
  218   2HG   GLU  26          2HG       GLU  26   1.276  -1.790  -2.763
  219    H    LEU  27           H        LEU  27   0.750  -2.265   1.457
  220    HA   LEU  27           HA       LEU  27   2.239  -4.444   0.151
  221   1HB   LEU  27          1HB       LEU  27   2.837  -2.820   2.619
  222   2HB   LEU  27          2HB       LEU  27   3.746  -4.250   2.171
  223   1HD1  LEU  27          1HD1      LEU  27   3.936  -3.699  -0.909
  224   2HD1  LEU  27          2HD1      LEU  27   5.152  -4.292   0.222
  225   3HD1  LEU  27          3HD1      LEU  27   5.459  -2.831  -0.715
  226   1HD2  LEU  27          1HD2      LEU  27   3.963  -0.508   0.329
  227   2HD2  LEU  27          2HD2      LEU  27   2.446  -1.184   0.928
  228   3HD2  LEU  27          3HD2      LEU  27   3.022  -1.600  -0.687
  229    H    LEU  28           H        LEU  28   1.850  -4.197   3.643
  230    HA   LEU  28           HA       LEU  28   0.470  -6.792   3.584
  231   1HB   LEU  28          1HB       LEU  28   2.106  -5.488   5.759
  232   2HB   LEU  28          2HB       LEU  28   1.257  -7.012   5.937
  233    HG   LEU  28           HG       LEU  28   3.470  -6.511   3.944
  234   1HD1  LEU  28          1HD1      LEU  28   3.566  -8.031   6.544
  235   2HD1  LEU  28          2HD1      LEU  28   4.240  -6.421   6.288
  236   3HD1  LEU  28          3HD1      LEU  28   4.890  -7.800   5.402
  237   1HD2  LEU  28          1HD2      LEU  28   1.955  -8.990   4.744
  238   2HD2  LEU  28          2HD2      LEU  28   3.452  -9.008   3.811
  239   3HD2  LEU  28          3HD2      LEU  28   2.014  -8.230   3.152
  240    H    GLY  29           H        GLY  29  -1.643  -6.744   3.940
  241   1HA   GLY  29          1HA       GLY  29  -2.953  -4.454   5.067
  242   2HA   GLY  29          2HA       GLY  29  -3.719  -5.958   4.578
  243    H    GLU  30           H        GLU  30  -2.658  -4.060   7.186
  244    HA   GLU  30           HA       GLU  30  -2.545  -6.201   9.125
  245   1HB   GLU  30          1HB       GLU  30  -2.670  -3.232   9.668
  246   2HB   GLU  30          2HB       GLU  30  -2.101  -4.491  10.753
  247   1HG   GLU  30          1HG       GLU  30  -0.055  -4.020  10.046
  248   2HG   GLU  30          2HG       GLU  30  -0.500  -4.776   8.516
  249    H    GLU  31           H        GLU  31  -3.964  -6.380  10.954
  250    HA   GLU  31           HA       GLU  31  -6.722  -5.595  10.302
  251   1HB   GLU  31          1HB       GLU  31  -7.318  -7.418  11.988
  252   2HB   GLU  31          2HB       GLU  31  -6.641  -7.939  10.453
  253   1HG   GLU  31          1HG       GLU  31  -5.665  -9.239  12.193
  254   2HG   GLU  31          2HG       GLU  31  -4.430  -8.154  11.558
  255    H    ARG  32           H        ARG  32  -8.168  -5.087  12.125
  256    HA   ARG  32           HA       ARG  32  -6.745  -3.496  14.147
  257   1HB   ARG  32          1HB       ARG  32  -8.672  -2.680  12.424
  258   2HB   ARG  32          2HB       ARG  32  -9.659  -3.130  13.808
  259   1HG   ARG  32          1HG       ARG  32  -8.455  -1.603  15.227
  260   2HG   ARG  32          2HG       ARG  32  -7.328  -1.228  13.922
  261   1HD   ARG  32          1HD       ARG  32 -10.295  -0.742  13.743
  262   2HD   ARG  32          2HD       ARG  32  -9.150   0.469  14.317
  263    HE   ARG  32           HE       ARG  32  -9.574  -0.375  11.597
  264   1HH1  ARG  32          1HH1      ARG  32  -7.325   1.141  13.814
  265   2HH1  ARG  32          2HH1      ARG  32  -6.469   1.978  12.565
  266   1HH2  ARG  32          1HH2      ARG  32  -8.437   0.730   9.956
  267   2HH2  ARG  32          2HH2      ARG  32  -7.098   1.745  10.377
  268    H    ARG  33           H        ARG  33  -7.114  -3.761  16.305
  269    HA   ARG  33           HA       ARG  33  -8.320  -6.256  17.119
  270   1HB   ARG  33          1HB       ARG  33  -6.172  -5.182  18.061
  271   2HB   ARG  33          2HB       ARG  33  -7.253  -4.151  18.986
  272   1HG   ARG  33          1HG       ARG  33  -6.737  -5.879  20.448
  273   2HG   ARG  33          2HG       ARG  33  -8.321  -6.328  19.809
  274   1HD   ARG  33          1HD       ARG  33  -7.157  -7.767  18.136
  275   2HD   ARG  33          2HD       ARG  33  -5.638  -7.412  18.958
  276    HE   ARG  33           HE       ARG  33  -7.723  -9.198  19.837
  277   1HH1  ARG  33          1HH1      ARG  33  -4.962  -7.289  20.844
  278   2HH1  ARG  33          2HH1      ARG  33  -4.670  -8.237  22.263
  279   1HH2  ARG  33          1HH2      ARG  33  -7.328 -10.443  21.707
  280   2HH2  ARG  33          2HH2      ARG  33  -6.011 -10.026  22.753
  Start of MODEL   20
    1    H    TYR   1           H        TYR   1 -15.250  13.076   1.050
    2    HA   TYR   1           HA       TYR   1 -12.461  12.148   1.112
    3   1HB   TYR   1          1HB       TYR   1 -15.080  10.697   0.644
    4   2HB   TYR   1          2HB       TYR   1 -13.489   9.963   0.802
    5    HD1  TYR   1           HD1      TYR   1 -12.275  10.280   3.058
    6    HD2  TYR   1           HD2      TYR   1 -16.437  10.968   2.518
    7    HE1  TYR   1           HE1      TYR   1 -12.619  10.056   5.481
    8    HE2  TYR   1           HE2      TYR   1 -16.795  10.745   4.940
    9    HH   TYR   1           HH       TYR   1 -15.183   9.359   6.920
   10    H    LYS   2           H        LYS   2 -11.491  12.829  -0.713
   11    HA   LYS   2           HA       LYS   2 -12.770  12.142  -3.260
   12   1HB   LYS   2          1HB       LYS   2 -11.780  14.335  -4.182
   13   2HB   LYS   2          2HB       LYS   2 -13.261  14.427  -3.243
   14   1HG   LYS   2          1HG       LYS   2 -12.035  16.175  -2.391
   15   2HG   LYS   2          2HG       LYS   2 -11.672  14.886  -1.244
   16   1HD   LYS   2          1HD       LYS   2  -9.545  14.494  -2.222
   17   2HD   LYS   2          2HD       LYS   2  -9.930  15.495  -3.624
   18   1HE   LYS   2          1HE       LYS   2  -9.966  16.698  -0.890
   19   2HE   LYS   2          2HE       LYS   2  -8.424  16.432  -1.703
   20   1HZ   LYS   2          1HZ       LYS   2  -9.240  18.646  -2.139
   21   2HZ   LYS   2          2HZ       LYS   2 -10.695  18.038  -2.747
   22   3HZ   LYS   2          3HZ       LYS   2  -9.249  17.749  -3.574
   23    H    PHE   3           H        PHE   3 -10.719  10.788  -1.787
   24    HA   PHE   3           HA       PHE   3  -8.632  10.804  -3.825
   25   1HB   PHE   3          1HB       PHE   3  -8.063  12.263  -1.712
   26   2HB   PHE   3          2HB       PHE   3  -7.771  10.704  -0.956
   27    HD1  PHE   3           HD1      PHE   3  -6.215  13.337  -2.490
   28    HD2  PHE   3           HD2      PHE   3  -6.294   9.084  -2.597
   29    HE1  PHE   3           HE1      PHE   3  -3.936  13.320  -3.406
   30    HE2  PHE   3           HE2      PHE   3  -4.008   9.056  -3.506
   31    HZ   PHE   3           HZ       PHE   3  -2.828  11.180  -3.919
   32    H    ALA   4           H        ALA   4  -8.753   8.764  -4.543
   33    HA   ALA   4           HA       ALA   4  -9.165   6.614  -2.612
   34   1HB   ALA   4          1HB       ALA   4 -10.847   6.673  -4.339
   35   2HB   ALA   4          2HB       ALA   4  -9.840   5.239  -4.546
   36   3HB   ALA   4          3HB       ALA   4  -9.604   6.642  -5.590
   37    H    CYS   5           H        CYS   5  -7.599   5.162  -2.216
   38    HA   CYS   5           HA       CYS   5  -4.968   5.542  -3.036
   39   1HB   CYS   5          1HB       CYS   5  -6.132   2.901  -2.148
   40   2HB   CYS   5          2HB       CYS   5  -4.466   3.442  -1.996
   41    HG   CYS   5           HG       CYS   5  -5.875   3.640   0.277
   42    HA   PRO   6           HA       PRO   6  -4.636   3.753  -7.054
   43   1HB   PRO   6          1HB       PRO   6  -2.144   2.646  -6.948
   44   2HB   PRO   6          2HB       PRO   6  -2.435   4.382  -7.105
   45   1HG   PRO   6          1HG       PRO   6  -1.770   2.786  -4.663
   46   2HG   PRO   6          2HG       PRO   6  -1.145   4.365  -5.173
   47   1HD   PRO   6          1HD       PRO   6  -3.062   4.115  -3.292
   48   2HD   PRO   6          2HD       PRO   6  -3.012   5.489  -4.412
   49    H    GLU   7           H        GLU   7  -4.433   1.754  -4.228
   50    HA   GLU   7           HA       GLU   7  -4.694  -0.664  -5.873
   51   1HB   GLU   7          1HB       GLU   7  -2.831  -0.577  -4.213
   52   2HB   GLU   7          2HB       GLU   7  -4.030  -0.497  -2.933
   53   1HG   GLU   7          1HG       GLU   7  -4.493  -2.716  -4.745
   54   2HG   GLU   7          2HG       GLU   7  -2.902  -2.777  -3.988
   55    H    CYS   8           H        CYS   8  -6.132   0.920  -2.984
   56    HA   CYS   8           HA       CYS   8  -8.460  -0.841  -3.332
   57   1HB   CYS   8          1HB       CYS   8  -9.085  -0.409  -1.077
   58   2HB   CYS   8          2HB       CYS   8  -7.405  -0.847  -1.096
   59    HG   CYS   8           HG       CYS   8  -7.249   1.151   0.362
   60    HA   PRO   9           HA       PRO   9 -11.168   2.387  -4.417
   61   1HB   PRO   9          1HB       PRO   9 -13.497   1.422  -3.507
   62   2HB   PRO   9          2HB       PRO   9 -12.594   0.611  -4.793
   63   1HG   PRO   9          1HG       PRO   9 -12.810  -0.082  -1.899
   64   2HG   PRO   9          2HG       PRO   9 -12.731  -1.153  -3.308
   65   1HD   PRO   9          1HD       PRO   9 -10.583  -0.508  -1.642
   66   2HD   PRO   9          2HD       PRO   9 -10.449  -1.193  -3.264
   67    H    LYS  10           H        LYS  10 -10.581   1.799  -1.080
   68    HA   LYS  10           HA       LYS  10 -12.435   3.434   0.188
   69   1HB   LYS  10          1HB       LYS  10 -10.177   1.990   0.957
   70   2HB   LYS  10          2HB       LYS  10  -9.801   3.652   1.395
   71   1HG   LYS  10          1HG       LYS  10 -12.440   2.482   2.155
   72   2HG   LYS  10          2HG       LYS  10 -10.998   2.094   3.093
   73   1HD   LYS  10          1HD       LYS  10 -11.520   3.959   4.240
   74   2HD   LYS  10          2HD       LYS  10 -10.768   4.792   2.878
   75   1HE   LYS  10          1HE       LYS  10 -12.778   5.899   3.014
   76   2HE   LYS  10          2HE       LYS  10 -13.166   4.639   1.845
   77   1HZ   LYS  10          1HZ       LYS  10 -13.727   4.450   4.754
   78   2HZ   LYS  10          2HZ       LYS  10 -14.210   3.356   3.558
   79   3HZ   LYS  10          3HZ       LYS  10 -14.863   4.916   3.589
   80    H    ARG  11           H        ARG  11 -12.819   5.527   0.095
   81    HA   ARG  11           HA       ARG  11 -10.816   7.295  -1.094
   82   1HB   ARG  11          1HB       ARG  11 -12.724   8.927  -1.238
   83   2HB   ARG  11          2HB       ARG  11 -12.928   7.463  -2.186
   84   1HG   ARG  11          1HG       ARG  11 -14.054   7.203   0.476
   85   2HG   ARG  11          2HG       ARG  11 -14.751   8.553  -0.422
   86   1HD   ARG  11          1HD       ARG  11 -15.170   7.007  -2.318
   87   2HD   ARG  11          2HD       ARG  11 -14.590   5.677  -1.316
   88    HE   ARG  11           HE       ARG  11 -17.136   7.030  -1.125
   89   1HH1  ARG  11          1HH1      ARG  11 -14.832   4.957   0.509
   90   2HH1  ARG  11          2HH1      ARG  11 -16.014   4.289   1.583
   91   1HH2  ARG  11          1HH2      ARG  11 -18.684   6.143   0.291
   92   2HH2  ARG  11          2HH2      ARG  11 -18.199   4.960   1.459
   93    H    PHE  12           H        PHE  12  -9.566   8.434   0.192
   94    HA   PHE  12           HA       PHE  12 -10.362   8.925   2.961
   95   1HB   PHE  12          1HB       PHE  12  -7.708   9.405   1.580
   96   2HB   PHE  12          2HB       PHE  12  -8.016   9.631   3.293
   97    HD1  PHE  12           HD1      PHE  12  -6.895   8.052   4.515
   98    HD2  PHE  12           HD2      PHE  12  -8.787   6.841   0.900
   99    HE1  PHE  12           HE1      PHE  12  -6.202   5.730   4.931
  100    HE2  PHE  12           HE2      PHE  12  -8.104   4.519   1.315
  101    HZ   PHE  12           HZ       PHE  12  -6.798   3.953   3.328
  102    H    MET  13           H        MET  13 -10.033  11.095   3.893
  103    HA   MET  13           HA       MET  13 -11.123  13.103   2.136
  104   1HB   MET  13          1HB       MET  13 -11.478  14.427   4.077
  105   2HB   MET  13          2HB       MET  13 -11.869  12.769   4.504
  106   1HG   MET  13          1HG       MET  13 -10.411  12.793   6.164
  107   2HG   MET  13          2HG       MET  13  -9.113  13.294   5.082
  108   1HE   MET  13          1HE       MET  13 -11.032  13.798   7.917
  109   2HE   MET  13          2HE       MET  13 -11.117  15.513   8.318
  110   3HE   MET  13          3HE       MET  13  -9.587  14.648   8.467
  111    H    ARG  14           H        ARG  14  -7.951  12.303   3.280
  112    HA   ARG  14           HA       ARG  14  -6.936  14.789   2.064
  113   1HB   ARG  14          1HB       ARG  14  -5.880  13.444   4.558
  114   2HB   ARG  14          2HB       ARG  14  -5.111  14.796   3.742
  115   1HG   ARG  14          1HG       ARG  14  -7.144  16.147   4.172
  116   2HG   ARG  14          2HG       ARG  14  -7.793  14.797   5.103
  117   1HD   ARG  14          1HD       ARG  14  -6.845  16.133   6.742
  118   2HD   ARG  14          2HD       ARG  14  -5.579  14.949   6.427
  119    HE   ARG  14           HE       ARG  14  -5.409  17.421   4.918
  120   1HH1  ARG  14          1HH1      ARG  14  -4.354  15.645   7.749
  121   2HH1  ARG  14          2HH1      ARG  14  -2.936  16.610   7.974
  122   1HH2  ARG  14          1HH2      ARG  14  -3.539  18.689   5.227
  123   2HH2  ARG  14          2HH2      ARG  14  -2.473  18.336   6.546
  124    H    SER  15           H        SER  15  -4.815  14.669   1.156
  125    HA   SER  15           HA       SER  15  -4.329  12.245  -0.263
  126   1HB   SER  15          1HB       SER  15  -3.830  14.483  -1.205
  127   2HB   SER  15          2HB       SER  15  -2.558  14.692  -0.002
  128    HG   SER  15           HG       SER  15  -1.968  13.864  -2.190
  129    H    ASP  16           H        ASP  16  -3.044  13.661   2.667
  130    HA   ASP  16           HA       ASP  16  -0.793  11.864   2.825
  131   1HB   ASP  16          1HB       ASP  16  -0.616  12.800   5.187
  132   2HB   ASP  16          2HB       ASP  16  -0.437  13.957   3.875
  133    H    HIS  17           H        HIS  17  -4.091  11.979   3.973
  134    HA   HIS  17           HA       HIS  17  -4.052  10.121   6.030
  135   1HB   HIS  17          1HB       HIS  17  -6.121  10.964   4.035
  136   2HB   HIS  17          2HB       HIS  17  -6.457   9.595   5.087
  137    HD1  HIS  17           HD1      HIS  17  -8.392  11.353   5.895
  138    HD2  HIS  17           HD2      HIS  17  -4.479  12.193   7.009
  139    HE1  HIS  17           HE1      HIS  17  -8.570  12.992   7.793
  140    HE2  HIS  17           HE2      HIS  17  -6.188  13.557   8.388
  141    H    LEU  18           H        LEU  18  -4.120   9.600   2.536
  142    HA   LEU  18           HA       LEU  18  -4.231   6.714   2.864
  143   1HB   LEU  18          1HB       LEU  18  -3.588   7.668   0.198
  144   2HB   LEU  18          2HB       LEU  18  -4.867   6.595   0.720
  145    HG   LEU  18           HG       LEU  18  -5.968   8.877   1.504
  146   1HD1  LEU  18          1HD1      LEU  18  -4.264  10.406   0.951
  147   2HD1  LEU  18          2HD1      LEU  18  -5.455  10.561  -0.334
  148   3HD1  LEU  18          3HD1      LEU  18  -3.974   9.645  -0.610
  149   1HD2  LEU  18          1HD2      LEU  18  -7.113   7.493   0.018
  150   2HD2  LEU  18          2HD2      LEU  18  -5.856   7.624  -1.209
  151   3HD2  LEU  18          3HD2      LEU  18  -6.906   9.000  -0.870
  152    H    SER  19           H        SER  19  -2.052   9.177   1.534
  153    HA   SER  19           HA       SER  19   0.026   7.835   0.566
  154   1HB   SER  19          1HB       SER  19   0.091  10.247   0.763
  155   2HB   SER  19          2HB       SER  19   0.232  10.142   2.518
  156    HG   SER  19           HG       SER  19   2.140   9.647   0.535
  157    H    LYS  20           H        LYS  20  -0.554   8.091   4.068
  158    HA   LYS  20           HA       LYS  20   1.782   6.495   4.676
  159   1HB   LYS  20          1HB       LYS  20   0.695   8.338   6.148
  160   2HB   LYS  20          2HB       LYS  20  -0.447   7.084   6.610
  161   1HG   LYS  20          1HG       LYS  20   1.483   5.691   7.343
  162   2HG   LYS  20          2HG       LYS  20   2.535   7.070   7.020
  163   1HD   LYS  20          1HD       LYS  20   2.138   7.667   9.139
  164   2HD   LYS  20          2HD       LYS  20   0.544   8.165   8.571
  165   1HE   LYS  20          1HE       LYS  20  -0.495   6.340   9.462
  166   2HE   LYS  20          2HE       LYS  20   0.920   5.306   9.275
  167   1HZ   LYS  20          1HZ       LYS  20   0.440   5.785  11.602
  168   2HZ   LYS  20          2HZ       LYS  20   0.618   7.443  11.317
  169   3HZ   LYS  20          3HZ       LYS  20   1.947   6.409  11.151
  170    H    HIS  21           H        HIS  21  -1.722   6.052   4.545
  171    HA   HIS  21           HA       HIS  21  -1.708   3.368   5.486
  172   1HB   HIS  21          1HB       HIS  21  -3.793   4.221   5.806
  173   2HB   HIS  21          2HB       HIS  21  -3.707   5.255   4.389
  174    HD1  HIS  21           HD1      HIS  21  -5.542   2.446   5.586
  175    HD2  HIS  21           HD2      HIS  21  -3.902   3.507   1.929
  176    HE1  HIS  21           HE1      HIS  21  -6.793   1.110   3.836
  177    H    ILE  22           H        ILE  22  -1.356   4.794   2.270
  178    HA   ILE  22           HA       ILE  22  -1.944   2.432   0.839
  179    HB   ILE  22           HB       ILE  22  -0.390   3.503  -0.965
  180   1HG1  ILE  22          1HG1      ILE  22  -1.031   6.156  -0.200
  181   2HG1  ILE  22          2HG1      ILE  22  -0.182   5.401   1.146
  182   1HG2  ILE  22          1HG2      ILE  22  -3.111   4.387  -0.090
  183   2HG2  ILE  22          2HG2      ILE  22  -2.651   3.358  -1.446
  184   3HG2  ILE  22          3HG2      ILE  22  -2.349   5.094  -1.515
  185   1HD1  ILE  22          1HD1      ILE  22   1.714   4.941  -0.184
  186   2HD1  ILE  22          2HD1      ILE  22   1.255   6.612  -0.510
  187   3HD1  ILE  22          3HD1      ILE  22   0.850   5.345  -1.668
  188    H    THR  23           H        THR  23   1.171   3.741   1.894
  189    HA   THR  23           HA       THR  23   2.785   1.794   0.769
  190    HB   THR  23           HB       THR  23   3.311   3.968   2.215
  191    HG1  THR  23           HG1      THR  23   5.021   3.233   1.200
  192   1HG2  THR  23          1HG2      THR  23   4.181   3.585   4.355
  193   2HG2  THR  23          2HG2      THR  23   4.048   1.833   4.189
  194   3HG2  THR  23          3HG2      THR  23   2.593   2.819   4.348
  195    H    LEU  24           H        LEU  24   0.723   1.544   3.567
  196    HA   LEU  24           HA       LEU  24   1.837  -1.073   4.264
  197   1HB   LEU  24          1HB       LEU  24   0.292  -0.940   6.218
  198   2HB   LEU  24          2HB       LEU  24   1.491   0.342   6.158
  199    HG   LEU  24           HG       LEU  24  -0.556   1.517   4.851
  200   1HD1  LEU  24          1HD1      LEU  24  -1.792  -0.717   5.808
  201   2HD1  LEU  24          2HD1      LEU  24  -2.597   0.798   5.391
  202   3HD1  LEU  24          3HD1      LEU  24  -2.141   0.470   7.065
  203   1HD2  LEU  24          1HD2      LEU  24   0.765   2.463   6.683
  204   2HD2  LEU  24          2HD2      LEU  24  -0.165   1.509   7.837
  205   3HD2  LEU  24          3HD2      LEU  24  -0.960   2.766   6.889
  206    H    HIS  25           H        HIS  25  -1.235   0.430   3.284
  207    HA   HIS  25           HA       HIS  25  -2.694  -1.997   3.261
  208   1HB   HIS  25          1HB       HIS  25  -4.431  -0.605   3.019
  209   2HB   HIS  25          2HB       HIS  25  -3.320   0.740   2.943
  210    HD1  HIS  25           HD1      HIS  25  -4.932  -1.739   0.535
  211    HD2  HIS  25           HD2      HIS  25  -3.521   2.166   0.685
  212    HE1  HIS  25           HE1      HIS  25  -5.515  -0.681  -1.682
  213    H    GLU  26           H        GLU  26  -0.677  -0.349   0.897
  214    HA   GLU  26           HA       GLU  26  -1.494  -2.119  -1.249
  215   1HB   GLU  26          1HB       GLU  26  -0.136  -0.863  -2.660
  216   2HB   GLU  26          2HB       GLU  26  -0.637   0.330  -1.473
  217   1HG   GLU  26          1HG       GLU  26   1.566   0.813  -1.513
  218   2HG   GLU  26          2HG       GLU  26   1.618  -0.466  -0.303
  219    H    LEU  27           H        LEU  27   0.864  -2.006   1.290
  220    HA   LEU  27           HA       LEU  27   2.647  -3.944   0.115
  221   1HB   LEU  27          1HB       LEU  27   3.627  -2.416   1.635
  222   2HB   LEU  27          2HB       LEU  27   2.395  -2.703   2.844
  223   1HD1  LEU  27          1HD1      LEU  27   3.871  -4.918   4.792
  224   2HD1  LEU  27          2HD1      LEU  27   2.908  -5.862   3.657
  225   3HD1  LEU  27          3HD1      LEU  27   2.329  -4.289   4.209
  226   1HD2  LEU  27          1HD2      LEU  27   4.489  -4.790   0.802
  227   2HD2  LEU  27          2HD2      LEU  27   3.814  -6.088   1.786
  228   3HD2  LEU  27          3HD2      LEU  27   5.455  -5.515   2.086
  229    H    LEU  28           H        LEU  28   0.493  -4.041   2.971
  230    HA   LEU  28           HA       LEU  28   0.324  -6.959   2.658
  231   1HB   LEU  28          1HB       LEU  28   1.137  -6.072   4.836
  232   2HB   LEU  28          2HB       LEU  28  -0.405  -5.268   5.053
  233    HG   LEU  28           HG       LEU  28  -1.548  -7.430   5.126
  234   1HD1  LEU  28          1HD1      LEU  28  -0.194  -9.505   5.254
  235   2HD1  LEU  28          2HD1      LEU  28   1.216  -8.572   4.755
  236   3HD1  LEU  28          3HD1      LEU  28  -0.162  -8.738   3.667
  237   1HD2  LEU  28          1HD2      LEU  28  -0.467  -6.343   7.164
  238   2HD2  LEU  28          2HD2      LEU  28   0.788  -7.572   7.008
  239   3HD2  LEU  28          3HD2      LEU  28  -0.886  -8.052   7.287
  240    H    GLY  29           H        GLY  29  -1.755  -4.193   3.580
  241   1HA   GLY  29          1HA       GLY  29  -3.856  -3.702   2.630
  242   2HA   GLY  29          2HA       GLY  29  -3.906  -5.324   1.955
  243    H    GLU  30           H        GLU  30  -4.808  -3.301   4.569
  244    HA   GLU  30           HA       GLU  30  -5.839  -5.605   6.081
  245   1HB   GLU  30          1HB       GLU  30  -4.884  -2.902   6.857
  246   2HB   GLU  30          2HB       GLU  30  -6.224  -3.561   7.785
  247   1HG   GLU  30          1HG       GLU  30  -4.005  -4.012   8.775
  248   2HG   GLU  30          2HG       GLU  30  -4.937  -5.466   8.426
  249    H    GLU  31           H        GLU  31  -7.266  -5.156   3.872
  250    HA   GLU  31           HA       GLU  31  -9.593  -3.550   4.679
  251   1HB   GLU  31          1HB       GLU  31  -9.006  -4.702   1.945
  252   2HB   GLU  31          2HB       GLU  31 -10.244  -3.523   2.356
  253   1HG   GLU  31          1HG       GLU  31  -7.337  -2.937   2.781
  254   2HG   GLU  31          2HG       GLU  31  -8.101  -2.708   1.210
  255    H    ARG  32           H        ARG  32  -9.974  -5.397   6.218
  256    HA   ARG  32           HA       ARG  32 -10.784  -7.937   5.230
  257   1HB   ARG  32          1HB       ARG  32 -11.210  -6.552   7.876
  258   2HB   ARG  32          2HB       ARG  32 -11.791  -8.180   7.549
  259   1HG   ARG  32          1HG       ARG  32  -9.534  -8.953   7.178
  260   2HG   ARG  32          2HG       ARG  32  -8.912  -7.313   7.379
  261   1HD   ARG  32          1HD       ARG  32 -10.045  -7.407   9.694
  262   2HD   ARG  32          2HD       ARG  32 -10.092  -9.150   9.435
  263    HE   ARG  32           HE       ARG  32  -7.776  -7.534  10.015
  264   1HH1  ARG  32          1HH1      ARG  32  -8.902 -10.580   8.698
  265   2HH1  ARG  32          2HH1      ARG  32  -7.399 -11.391   8.971
  266   1HH2  ARG  32          1HH2      ARG  32  -5.800  -8.610  10.367
  267   2HH2  ARG  32          2HH2      ARG  32  -5.637 -10.276   9.919
  268    H    ARG  33           H        ARG  33 -12.696  -8.642   4.505
  269    HA   ARG  33           HA       ARG  33 -14.990  -6.796   4.647
  270   1HB   ARG  33          1HB       ARG  33 -13.813  -7.450   2.369
  271   2HB   ARG  33          2HB       ARG  33 -14.804  -8.892   2.527
  272   1HG   ARG  33          1HG       ARG  33 -16.738  -7.778   2.138
  273   2HG   ARG  33          2HG       ARG  33 -16.162  -6.290   2.892
  274   1HD   ARG  33          1HD       ARG  33 -15.590  -5.449   0.918
  275   2HD   ARG  33          2HD       ARG  33 -14.603  -6.863   0.553
  276    HE   ARG  33           HE       ARG  33 -17.284  -6.319  -0.367
  277   1HH1  ARG  33          1HH1      ARG  33 -14.848  -8.787   0.130
  278   2HH1  ARG  33          2HH1      ARG  33 -15.532  -9.868  -1.036
  279   1HH2  ARG  33          1HH2      ARG  33 -18.177  -7.748  -1.901
  280   2HH2  ARG  33          2HH2      ARG  33 -17.421  -9.278  -2.191
  Start of MODEL   21
    1    H    TYR   1           H        TYR   1 -14.734  14.776   0.835
    2    HA   TYR   1           HA       TYR   1 -12.150  13.389   1.049
    3   1HB   TYR   1          1HB       TYR   1 -13.750  11.388   1.498
    4   2HB   TYR   1          2HB       TYR   1 -13.349  12.468   2.827
    5    HD1  TYR   1           HD1      TYR   1 -15.027  14.001   3.734
    6    HD2  TYR   1           HD2      TYR   1 -15.991  11.305   0.585
    7    HE1  TYR   1           HE1      TYR   1 -17.420  14.384   4.146
    8    HE2  TYR   1           HE2      TYR   1 -18.385  11.684   0.987
    9    HH   TYR   1           HH       TYR   1 -19.682  14.035   2.318
   10    H    LYS   2           H        LYS   2 -11.528  12.955  -0.957
   11    HA   LYS   2           HA       LYS   2 -13.233  11.540  -2.764
   12   1HB   LYS   2          1HB       LYS   2 -13.697  14.147  -2.962
   13   2HB   LYS   2          2HB       LYS   2 -12.247  14.094  -3.956
   14   1HG   LYS   2          1HG       LYS   2 -13.373  12.272  -5.289
   15   2HG   LYS   2          2HG       LYS   2 -14.850  12.662  -4.405
   16   1HD   LYS   2          1HD       LYS   2 -13.306  14.812  -5.808
   17   2HD   LYS   2          2HD       LYS   2 -14.415  13.775  -6.707
   18   1HE   LYS   2          1HE       LYS   2 -15.287  15.187  -4.208
   19   2HE   LYS   2          2HE       LYS   2 -15.296  16.008  -5.769
   20   1HZ   LYS   2          1HZ       LYS   2 -17.445  15.073  -5.361
   21   2HZ   LYS   2          2HZ       LYS   2 -16.791  13.544  -5.054
   22   3HZ   LYS   2          3HZ       LYS   2 -16.721  14.195  -6.613
   23    H    PHE   3           H        PHE   3 -10.984  10.609  -1.739
   24    HA   PHE   3           HA       PHE   3  -9.193  10.505  -4.039
   25   1HB   PHE   3          1HB       PHE   3  -8.253  12.232  -2.520
   26   2HB   PHE   3          2HB       PHE   3  -8.176  11.031  -1.239
   27    HD1  PHE   3           HD1      PHE   3  -7.356  10.337  -4.774
   28    HD2  PHE   3           HD2      PHE   3  -5.847  11.121  -0.876
   29    HE1  PHE   3           HE1      PHE   3  -5.109   9.658  -5.509
   30    HE2  PHE   3           HE2      PHE   3  -3.597  10.436  -1.598
   31    HZ   PHE   3           HZ       PHE   3  -3.227   9.709  -3.923
   32    H    ALA   4           H        ALA   4  -8.796   8.455  -4.513
   33    HA   ALA   4           HA       ALA   4  -9.006   6.452  -2.396
   34   1HB   ALA   4          1HB       ALA   4 -10.787   6.211  -4.010
   35   2HB   ALA   4          2HB       ALA   4  -9.671   4.851  -4.142
   36   3HB   ALA   4          3HB       ALA   4  -9.615   6.156  -5.327
   37    H    CYS   5           H        CYS   5  -7.466   4.857  -2.219
   38    HA   CYS   5           HA       CYS   5  -4.842   5.451  -3.012
   39   1HB   CYS   5          1HB       CYS   5  -5.931   2.756  -2.172
   40   2HB   CYS   5          2HB       CYS   5  -4.252   3.275  -2.103
   41    HG   CYS   5           HG       CYS   5  -5.086   5.036  -0.242
   42    HA   PRO   6           HA       PRO   6  -4.374   3.792  -7.081
   43   1HB   PRO   6          1HB       PRO   6  -1.873   2.478  -6.217
   44   2HB   PRO   6          2HB       PRO   6  -2.122   3.723  -7.444
   45   1HG   PRO   6          1HG       PRO   6  -0.949   4.284  -5.101
   46   2HG   PRO   6          2HG       PRO   6  -2.018   5.445  -5.909
   47   1HD   PRO   6          1HD       PRO   6  -2.584   3.647  -3.585
   48   2HD   PRO   6          2HD       PRO   6  -3.079   5.331  -3.856
   49    H    GLU   7           H        GLU   7  -4.220   1.712  -4.293
   50    HA   GLU   7           HA       GLU   7  -4.575  -0.680  -5.938
   51   1HB   GLU   7          1HB       GLU   7  -3.798  -0.241  -3.070
   52   2HB   GLU   7          2HB       GLU   7  -4.323  -1.816  -3.639
   53   1HG   GLU   7          1HG       GLU   7  -1.972  -0.246  -4.672
   54   2HG   GLU   7          2HG       GLU   7  -1.904  -1.654  -3.615
   55    H    CYS   8           H        CYS   8  -6.065   0.865  -3.048
   56    HA   CYS   8           HA       CYS   8  -8.506  -0.663  -3.637
   57   1HB   CYS   8          1HB       CYS   8  -9.203  -0.321  -1.376
   58   2HB   CYS   8          2HB       CYS   8  -7.581  -0.943  -1.372
   59    HG   CYS   8           HG       CYS   8  -7.907   2.103  -0.998
   60    HA   PRO   9           HA       PRO   9 -10.885   2.881  -4.536
   61   1HB   PRO   9          1HB       PRO   9 -13.326   1.973  -3.956
   62   2HB   PRO   9          2HB       PRO   9 -12.350   1.224  -5.226
   63   1HG   PRO   9          1HG       PRO   9 -12.869   0.292  -2.434
   64   2HG   PRO   9          2HG       PRO   9 -12.747  -0.654  -3.928
   65   1HD   PRO   9          1HD       PRO   9 -10.700  -0.313  -2.052
   66   2HD   PRO   9          2HD       PRO   9 -10.483  -0.863  -3.718
   67    H    LYS  10           H        LYS  10 -10.322   2.079  -1.326
   68    HA   LYS  10           HA       LYS  10 -12.250   3.370   0.165
   69   1HB   LYS  10          1HB       LYS  10  -9.373   2.742   0.575
   70   2HB   LYS  10          2HB       LYS  10 -10.110   3.896   1.676
   71   1HG   LYS  10          1HG       LYS  10 -11.879   1.704   1.459
   72   2HG   LYS  10          2HG       LYS  10 -10.256   1.054   1.695
   73   1HD   LYS  10          1HD       LYS  10 -11.452   3.227   3.410
   74   2HD   LYS  10          2HD       LYS  10 -11.543   1.509   3.805
   75   1HE   LYS  10          1HE       LYS  10  -9.498   1.560   4.673
   76   2HE   LYS  10          2HE       LYS  10  -8.838   2.193   3.167
   77   1HZ   LYS  10          1HZ       LYS  10  -9.519   4.432   3.925
   78   2HZ   LYS  10          2HZ       LYS  10  -8.356   3.715   4.923
   79   3HZ   LYS  10          3HZ       LYS  10  -9.974   3.767   5.413
   80    H    ARG  11           H        ARG  11 -12.893   5.393   0.356
   81    HA   ARG  11           HA       ARG  11 -11.271   7.525  -0.821
   82   1HB   ARG  11          1HB       ARG  11 -13.379   8.901  -0.496
   83   2HB   ARG  11          2HB       ARG  11 -13.485   7.587  -1.655
   84   1HG   ARG  11          1HG       ARG  11 -14.273   6.821   1.050
   85   2HG   ARG  11          2HG       ARG  11 -15.270   8.095   0.348
   86   1HD   ARG  11          1HD       ARG  11 -15.755   6.728  -1.573
   87   2HD   ARG  11          2HD       ARG  11 -14.629   5.489  -1.024
   88    HE   ARG  11           HE       ARG  11 -16.218   4.720   0.443
   89   1HH1  ARG  11          1HH1      ARG  11 -17.250   7.820  -0.822
   90   2HH1  ARG  11          2HH1      ARG  11 -18.845   7.696  -0.161
   91   1HH2  ARG  11          1HH2      ARG  11 -18.321   4.565   1.311
   92   2HH2  ARG  11          2HH2      ARG  11 -19.452   5.850   1.050
   93    H    PHE  12           H        PHE  12  -9.995   8.661   0.460
   94    HA   PHE  12           HA       PHE  12 -10.564   8.777   3.334
   95   1HB   PHE  12          1HB       PHE  12  -8.074   9.612   1.842
   96   2HB   PHE  12          2HB       PHE  12  -8.253   9.545   3.584
   97    HD1  PHE  12           HD1      PHE  12  -7.053   7.858   4.528
   98    HD2  PHE  12           HD2      PHE  12  -8.917   7.151   0.765
   99    HE1  PHE  12           HE1      PHE  12  -6.179   5.560   4.527
  100    HE2  PHE  12           HE2      PHE  12  -8.050   4.852   0.765
  101    HZ   PHE  12           HZ       PHE  12  -6.673   4.049   2.645
  102    H    MET  13           H        MET  13  -9.285  11.081   4.077
  103    HA   MET  13           HA       MET  13 -11.090  13.119   3.010
  104   1HB   MET  13          1HB       MET  13 -10.184  12.472   5.606
  105   2HB   MET  13          2HB       MET  13  -9.514  14.050   5.222
  106   1HG   MET  13          1HG       MET  13 -11.530  14.564   6.217
  107   2HG   MET  13          2HG       MET  13 -11.904  14.654   4.497
  108   1HE   MET  13          1HE       MET  13 -12.316  10.987   6.956
  109   2HE   MET  13          2HE       MET  13 -13.269  12.197   7.817
  110   3HE   MET  13          3HE       MET  13 -11.572  12.507   7.450
  111    H    ARG  14           H        ARG  14  -7.630  12.517   3.519
  112    HA   ARG  14           HA       ARG  14  -7.049  14.699   1.635
  113   1HB   ARG  14          1HB       ARG  14  -5.694  14.232   4.294
  114   2HB   ARG  14          2HB       ARG  14  -5.030  15.264   3.035
  115   1HG   ARG  14          1HG       ARG  14  -6.172  16.944   3.908
  116   2HG   ARG  14          2HG       ARG  14  -7.655  16.142   3.385
  117   1HD   ARG  14          1HD       ARG  14  -7.933  15.083   5.482
  118   2HD   ARG  14          2HD       ARG  14  -6.297  15.494   5.988
  119    HE   ARG  14           HE       ARG  14  -7.042  17.560   6.631
  120   1HH1  ARG  14          1HH1      ARG  14  -9.498  16.065   4.631
  121   2HH1  ARG  14          2HH1      ARG  14 -10.685  17.279   4.967
  122   1HH2  ARG  14          1HH2      ARG  14  -8.609  19.157   7.068
  123   2HH2  ARG  14          2HH2      ARG  14 -10.180  19.036   6.349
  124    H    SER  15           H        SER  15  -4.875  14.570   0.682
  125    HA   SER  15           HA       SER  15  -4.347  12.059  -0.412
  126   1HB   SER  15          1HB       SER  15  -2.823  14.638  -0.316
  127   2HB   SER  15          2HB       SER  15  -2.049  13.195  -0.972
  128    HG   SER  15           HG       SER  15  -4.268  14.623  -1.929
  129    H    ASP  16           H        ASP  16  -2.765  13.730   2.293
  130    HA   ASP  16           HA       ASP  16  -0.730  11.825   2.708
  131   1HB   ASP  16          1HB       ASP  16  -0.693  12.790   5.077
  132   2HB   ASP  16          2HB       ASP  16  -0.384  13.901   3.750
  133    H    HIS  17           H        HIS  17  -4.084  11.942   3.771
  134    HA   HIS  17           HA       HIS  17  -4.019  10.019   5.797
  135   1HB   HIS  17          1HB       HIS  17  -6.173  10.768   3.820
  136   2HB   HIS  17          2HB       HIS  17  -6.429   9.544   5.055
  137    HD1  HIS  17           HD1      HIS  17  -8.333  11.231   5.897
  138    HD2  HIS  17           HD2      HIS  17  -4.414  12.527   6.358
  139    HE1  HIS  17           HE1      HIS  17  -8.443  13.135   7.534
  140    HE2  HIS  17           HE2      HIS  17  -6.073  13.966   7.722
  141    H    LEU  18           H        LEU  18  -3.910   9.688   2.314
  142    HA   LEU  18           HA       LEU  18  -4.201   6.791   2.416
  143   1HB   LEU  18          1HB       LEU  18  -3.617   8.632   0.106
  144   2HB   LEU  18          2HB       LEU  18  -3.889   6.910  -0.026
  145    HG   LEU  18           HG       LEU  18  -6.195   7.353   0.955
  146   1HD1  LEU  18          1HD1      LEU  18  -6.907   9.766   0.286
  147   2HD1  LEU  18          2HD1      LEU  18  -5.197  10.128   0.518
  148   3HD1  LEU  18          3HD1      LEU  18  -6.145   9.473   1.851
  149   1HD2  LEU  18          1HD2      LEU  18  -5.166   8.008  -1.732
  150   2HD2  LEU  18          2HD2      LEU  18  -6.824   8.495  -1.374
  151   3HD2  LEU  18          3HD2      LEU  18  -6.352   6.802  -1.233
  152    H    SER  19           H        SER  19  -1.811   9.194   1.347
  153    HA   SER  19           HA       SER  19   0.258   7.685   0.548
  154   1HB   SER  19          1HB       SER  19   0.412  10.100   0.575
  155   2HB   SER  19          2HB       SER  19   0.424  10.124   2.339
  156    HG   SER  19           HG       SER  19   2.480   9.644   2.325
  157    H    LYS  20           H        LYS  20  -0.641   8.153   3.938
  158    HA   LYS  20           HA       LYS  20   1.595   6.573   4.882
  159   1HB   LYS  20          1HB       LYS  20   0.606   8.512   6.161
  160   2HB   LYS  20          2HB       LYS  20  -0.813   7.515   6.450
  161   1HG   LYS  20          1HG       LYS  20   0.542   7.383   8.385
  162   2HG   LYS  20          2HG       LYS  20   0.699   5.840   7.543
  163   1HD   LYS  20          1HD       LYS  20   2.791   6.815   6.471
  164   2HD   LYS  20          2HD       LYS  20   2.671   8.111   7.664
  165   1HE   LYS  20          1HE       LYS  20   2.571   5.281   8.595
  166   2HE   LYS  20          2HE       LYS  20   4.125   5.964   8.121
  167   1HZ   LYS  20          1HZ       LYS  20   2.299   7.107  10.167
  168   2HZ   LYS  20          2HZ       LYS  20   3.807   7.736   9.725
  169   3HZ   LYS  20          3HZ       LYS  20   3.710   6.230  10.490
  170    H    HIS  21           H        HIS  21  -1.814   6.127   4.173
  171    HA   HIS  21           HA       HIS  21  -1.954   3.530   5.423
  172   1HB   HIS  21          1HB       HIS  21  -4.042   4.455   5.504
  173   2HB   HIS  21          2HB       HIS  21  -3.831   5.337   3.999
  174    HD1  HIS  21           HD1      HIS  21  -5.860   2.754   5.301
  175    HD2  HIS  21           HD2      HIS  21  -3.782   3.264   1.749
  176    HE1  HIS  21           HE1      HIS  21  -6.959   1.225   3.610
  177    H    ILE  22           H        ILE  22  -1.419   4.765   2.151
  178    HA   ILE  22           HA       ILE  22  -1.868   2.345   0.800
  179    HB   ILE  22           HB       ILE  22  -0.198   3.354  -0.930
  180   1HG1  ILE  22          1HG1      ILE  22  -0.857   6.037  -0.210
  181   2HG1  ILE  22          2HG1      ILE  22  -0.054   5.263   1.153
  182   1HG2  ILE  22          1HG2      ILE  22  -2.101   4.999  -1.602
  183   2HG2  ILE  22          2HG2      ILE  22  -2.960   4.264  -0.249
  184   3HG2  ILE  22          3HG2      ILE  22  -2.406   3.262  -1.590
  185   1HD1  ILE  22          1HD1      ILE  22   1.478   6.450  -0.392
  186   2HD1  ILE  22          2HD1      ILE  22   1.042   5.285  -1.642
  187   3HD1  ILE  22          3HD1      ILE  22   1.859   4.742  -0.175
  188    H    THR  23           H        THR  23   1.174   3.707   2.005
  189    HA   THR  23           HA       THR  23   2.880   1.758   1.066
  190    HB   THR  23           HB       THR  23   3.033   3.222   3.713
  191    HG1  THR  23           HG1      THR  23   3.256   4.810   2.344
  192   1HG2  THR  23          1HG2      THR  23   5.501   2.938   3.433
  193   2HG2  THR  23          2HG2      THR  23   5.154   1.736   2.190
  194   3HG2  THR  23          3HG2      THR  23   4.619   1.468   3.848
  195    H    LEU  24           H        LEU  24   0.641   1.524   3.750
  196    HA   LEU  24           HA       LEU  24   1.718  -1.095   4.503
  197   1HB   LEU  24          1HB       LEU  24   0.095  -0.964   6.383
  198   2HB   LEU  24          2HB       LEU  24   1.270   0.340   6.369
  199    HG   LEU  24           HG       LEU  24  -0.738   1.465   4.961
  200   1HD1  LEU  24          1HD1      LEU  24  -1.964  -0.789   5.917
  201   2HD1  LEU  24          2HD1      LEU  24  -2.777   0.686   5.391
  202   3HD1  LEU  24          3HD1      LEU  24  -2.417   0.437   7.101
  203   1HD2  LEU  24          1HD2      LEU  24  -1.159   2.807   6.869
  204   2HD2  LEU  24          2HD2      LEU  24   0.542   2.342   6.932
  205   3HD2  LEU  24          3HD2      LEU  24  -0.635   1.528   7.964
  206    H    HIS  25           H        HIS  25  -1.277   0.412   3.329
  207    HA   HIS  25           HA       HIS  25  -2.767  -2.000   3.240
  208   1HB   HIS  25          1HB       HIS  25  -4.433  -0.544   2.950
  209   2HB   HIS  25          2HB       HIS  25  -3.286   0.763   2.773
  210    HD1  HIS  25           HD1      HIS  25  -5.040  -1.818   0.591
  211    HD2  HIS  25           HD2      HIS  25  -3.369   1.984   0.381
  212    HE1  HIS  25           HE1      HIS  25  -5.611  -0.911  -1.697
  213    H    GLU  26           H        GLU  26  -0.519  -0.465   1.047
  214    HA   GLU  26           HA       GLU  26  -1.219  -2.274  -1.126
  215   1HB   GLU  26          1HB       GLU  26   0.157  -1.001  -2.504
  216   2HB   GLU  26          2HB       GLU  26  -0.457   0.199  -1.379
  217   1HG   GLU  26          1HG       GLU  26   1.724   0.779  -1.324
  218   2HG   GLU  26          2HG       GLU  26   1.764  -0.460  -0.072
  219    H    LEU  27           H        LEU  27   0.972  -2.047   1.541
  220    HA   LEU  27           HA       LEU  27   2.929  -3.886   0.496
  221   1HB   LEU  27          1HB       LEU  27   3.857  -2.479   2.071
  222   2HB   LEU  27          2HB       LEU  27   2.440  -2.518   3.099
  223   1HD1  LEU  27          1HD1      LEU  27   5.743  -4.599   4.137
  224   2HD1  LEU  27          2HD1      LEU  27   5.429  -2.876   3.928
  225   3HD1  LEU  27          3HD1      LEU  27   5.717  -3.897   2.520
  226   1HD2  LEU  27          1HD2      LEU  27   3.497  -3.297   5.352
  227   2HD2  LEU  27          2HD2      LEU  27   3.404  -5.057   5.303
  228   3HD2  LEU  27          3HD2      LEU  27   2.068  -4.087   4.684
  229    H    LEU  28           H        LEU  28   0.407  -4.102   3.016
  230    HA   LEU  28           HA       LEU  28   0.617  -7.026   2.926
  231   1HB   LEU  28          1HB       LEU  28  -0.213  -5.052   4.962
  232   2HB   LEU  28          2HB       LEU  28  -1.131  -6.545   4.933
  233    HG   LEU  28           HG       LEU  28   1.855  -6.677   4.989
  234   1HD1  LEU  28          1HD1      LEU  28   1.271  -5.089   6.751
  235   2HD1  LEU  28          2HD1      LEU  28   1.829  -6.621   7.423
  236   3HD1  LEU  28          3HD1      LEU  28   0.107  -6.240   7.406
  237   1HD2  LEU  28          1HD2      LEU  28  -0.323  -8.406   6.157
  238   2HD2  LEU  28          2HD2      LEU  28   1.407  -8.748   6.190
  239   3HD2  LEU  28          3HD2      LEU  28   0.544  -8.716   4.653
  240    H    GLY  29           H        GLY  29  -1.985  -4.571   3.152
  241   1HA   GLY  29          1HA       GLY  29  -3.750  -4.536   1.476
  242   2HA   GLY  29          2HA       GLY  29  -3.599  -6.282   1.364
  243    H    GLU  30           H        GLU  30  -5.142  -3.663   2.926
  244    HA   GLU  30           HA       GLU  30  -6.311  -5.425   4.965
  245   1HB   GLU  30          1HB       GLU  30  -6.397  -2.412   4.711
  246   2HB   GLU  30          2HB       GLU  30  -7.117  -3.341   6.019
  247   1HG   GLU  30          1HG       GLU  30  -4.815  -4.209   6.527
  248   2HG   GLU  30          2HG       GLU  30  -4.199  -3.023   5.376
  249    H    GLU  31           H        GLU  31  -7.185  -5.928   2.388
  250    HA   GLU  31           HA       GLU  31  -9.836  -4.668   2.247
  251   1HB   GLU  31          1HB       GLU  31  -7.951  -5.147   0.260
  252   2HB   GLU  31          2HB       GLU  31  -9.150  -6.409   0.017
  253   1HG   GLU  31          1HG       GLU  31  -9.562  -3.434  -0.022
  254   2HG   GLU  31          2HG       GLU  31  -9.778  -4.582  -1.342
  255    H    ARG  32           H        ARG  32 -11.506  -5.780   3.005
  256    HA   ARG  32           HA       ARG  32 -11.275  -8.701   3.249
  257   1HB   ARG  32          1HB       ARG  32 -11.749  -7.159   5.272
  258   2HB   ARG  32          2HB       ARG  32 -13.370  -7.024   4.606
  259   1HG   ARG  32          1HG       ARG  32 -13.945  -9.102   5.238
  260   2HG   ARG  32          2HG       ARG  32 -12.354  -9.770   4.870
  261   1HD   ARG  32          1HD       ARG  32 -12.550  -9.950   7.199
  262   2HD   ARG  32          2HD       ARG  32 -11.539  -8.529   6.943
  263    HE   ARG  32           HE       ARG  32 -13.198  -7.215   7.827
  264   1HH1  ARG  32          1HH1      ARG  32 -14.498 -10.408   7.208
  265   2HH1  ARG  32          2HH1      ARG  32 -15.977 -10.101   8.053
  266   1HH2  ARG  32          1HH2      ARG  32 -15.146  -6.818   8.938
  267   2HH2  ARG  32          2HH2      ARG  32 -16.346  -8.063   9.036
  268    H    ARG  33           H        ARG  33 -12.887 -10.068   2.503
  269    HA   ARG  33           HA       ARG  33 -14.434  -9.047   0.287
  270   1HB   ARG  33          1HB       ARG  33 -14.042 -11.813   1.424
  271   2HB   ARG  33          2HB       ARG  33 -15.139 -11.485   0.089
  272   1HG   ARG  33          1HG       ARG  33 -13.089 -10.413  -1.045
  273   2HG   ARG  33          2HG       ARG  33 -12.154 -11.297   0.163
  274   1HD   ARG  33          1HD       ARG  33 -14.103 -13.046  -0.986
  275   2HD   ARG  33          2HD       ARG  33 -13.207 -12.251  -2.278
  276    HE   ARG  33           HE       ARG  33 -11.291 -13.357  -1.618
  277   1HH1  ARG  33          1HH1      ARG  33 -13.840 -13.933   0.718
  278   2HH1  ARG  33          2HH1      ARG  33 -12.981 -15.204   1.519
  279   1HH2  ARG  33          1HH2      ARG  33 -10.172 -15.029  -0.558
  280   2HH2  ARG  33          2HH2      ARG  33 -10.900 -15.827   0.796
  Start of MODEL   22
    1    H    TYR   1           H        TYR   1 -13.524  14.768   2.132
    2    HA   TYR   1           HA       TYR   1 -12.376  13.033   1.187
    3   1HB   TYR   1          1HB       TYR   1 -15.363  12.550   1.069
    4   2HB   TYR   1          2HB       TYR   1 -14.164  11.261   1.010
    5    HD1  TYR   1           HD1      TYR   1 -12.996  10.563   2.996
    6    HD2  TYR   1           HD2      TYR   1 -15.700  13.846   3.131
    7    HE1  TYR   1           HE1      TYR   1 -12.963  10.482   5.452
    8    HE2  TYR   1           HE2      TYR   1 -15.672  13.776   5.588
    9    HH   TYR   1           HH       TYR   1 -15.071  11.600   7.362
   10    H    LYS   2           H        LYS   2 -11.302  13.326  -0.732
   11    HA   LYS   2           HA       LYS   2 -12.597  12.271  -3.101
   12   1HB   LYS   2          1HB       LYS   2 -12.036  15.133  -2.737
   13   2HB   LYS   2          2HB       LYS   2 -11.392  14.466  -4.229
   14   1HG   LYS   2          1HG       LYS   2 -13.709  13.527  -4.644
   15   2HG   LYS   2          2HG       LYS   2 -14.249  14.557  -3.317
   16   1HD   LYS   2          1HD       LYS   2 -12.813  16.321  -4.808
   17   2HD   LYS   2          2HD       LYS   2 -13.463  15.261  -6.060
   18   1HE   LYS   2          1HE       LYS   2 -15.312  16.219  -3.938
   19   2HE   LYS   2          2HE       LYS   2 -14.797  17.373  -5.167
   20   1HZ   LYS   2          1HZ       LYS   2 -16.852  16.251  -5.784
   21   2HZ   LYS   2          2HZ       LYS   2 -16.083  14.748  -5.704
   22   3HZ   LYS   2          3HZ       LYS   2 -15.613  15.876  -6.873
   23    H    PHE   3           H        PHE   3 -10.739  10.899  -1.857
   24    HA   PHE   3           HA       PHE   3  -8.550  10.874  -3.729
   25   1HB   PHE   3          1HB       PHE   3  -8.060  12.487  -1.652
   26   2HB   PHE   3          2HB       PHE   3  -7.620  10.961  -0.900
   27    HD1  PHE   3           HD1      PHE   3  -6.824  13.309  -3.617
   28    HD2  PHE   3           HD2      PHE   3  -5.633   9.806  -1.525
   29    HE1  PHE   3           HE1      PHE   3  -4.610  13.424  -4.682
   30    HE2  PHE   3           HE2      PHE   3  -3.418   9.908  -2.579
   31    HZ   PHE   3           HZ       PHE   3  -2.903  11.723  -4.167
   32    H    ALA   4           H        ALA   4  -8.463   8.800  -4.264
   33    HA   ALA   4           HA       ALA   4  -8.802   6.783  -2.174
   34   1HB   ALA   4          1HB       ALA   4  -9.524   6.556  -5.087
   35   2HB   ALA   4          2HB       ALA   4 -10.655   6.754  -3.749
   36   3HB   ALA   4          3HB       ALA   4  -9.697   5.280  -3.883
   37    H    CYS   5           H        CYS   5  -7.412   5.029  -2.118
   38    HA   CYS   5           HA       CYS   5  -4.776   5.443  -2.985
   39   1HB   CYS   5          1HB       CYS   5  -5.984   2.782  -2.220
   40   2HB   CYS   5          2HB       CYS   5  -4.295   3.261  -2.103
   41    HG   CYS   5           HG       CYS   5  -5.031   4.905  -0.156
   42    HA   PRO   6           HA       PRO   6  -4.658   3.918  -7.128
   43   1HB   PRO   6          1HB       PRO   6  -2.083   2.620  -6.507
   44   2HB   PRO   6          2HB       PRO   6  -2.440   3.911  -7.657
   45   1HG   PRO   6          1HG       PRO   6  -1.094   4.387  -5.388
   46   2HG   PRO   6          2HG       PRO   6  -2.229   5.570  -6.065
   47   1HD   PRO   6          1HD       PRO   6  -2.610   3.664  -3.787
   48   2HD   PRO   6          2HD       PRO   6  -3.124   5.357  -3.938
   49    H    GLU   7           H        GLU   7  -4.235   1.757  -4.420
   50    HA   GLU   7           HA       GLU   7  -4.639  -0.598  -6.102
   51   1HB   GLU   7          1HB       GLU   7  -2.865  -0.429  -4.246
   52   2HB   GLU   7          2HB       GLU   7  -4.205  -0.626  -3.128
   53   1HG   GLU   7          1HG       GLU   7  -4.077  -2.603  -5.298
   54   2HG   GLU   7          2HG       GLU   7  -2.751  -2.656  -4.138
   55    H    CYS   8           H        CYS   8  -6.047   0.767  -3.077
   56    HA   CYS   8           HA       CYS   8  -8.468  -0.796  -3.634
   57   1HB   CYS   8          1HB       CYS   8  -9.111  -0.502  -1.356
   58   2HB   CYS   8          2HB       CYS   8  -7.459  -1.039  -1.393
   59    HG   CYS   8           HG       CYS   8  -7.372   0.830   0.287
   60    HA   PRO   9           HA       PRO   9 -10.990   2.664  -4.463
   61   1HB   PRO   9          1HB       PRO   9 -13.383   1.690  -3.784
   62   2HB   PRO   9          2HB       PRO   9 -12.435   0.967  -5.091
   63   1HG   PRO   9          1HG       PRO   9 -12.822   0.024  -2.283
   64   2HG   PRO   9          2HG       PRO   9 -12.720  -0.919  -3.780
   65   1HD   PRO   9          1HD       PRO   9 -10.622  -0.510  -1.974
   66   2HD   PRO   9          2HD       PRO   9 -10.445  -1.056  -3.644
   67    H    LYS  10           H        LYS  10 -10.209   1.999  -1.298
   68    HA   LYS  10           HA       LYS  10 -12.151   3.215   0.261
   69   1HB   LYS  10          1HB       LYS  10  -9.206   2.812   0.569
   70   2HB   LYS  10          2HB       LYS  10 -10.050   3.836   1.722
   71   1HG   LYS  10          1HG       LYS  10 -11.213   1.168   1.162
   72   2HG   LYS  10          2HG       LYS  10  -9.719   1.230   2.096
   73   1HD   LYS  10          1HD       LYS  10 -11.112   1.490   3.848
   74   2HD   LYS  10          2HD       LYS  10 -11.160   3.172   3.318
   75   1HE   LYS  10          1HE       LYS  10 -13.170   2.705   2.009
   76   2HE   LYS  10          2HE       LYS  10 -13.113   1.018   2.514
   77   1HZ   LYS  10          1HZ       LYS  10 -14.695   2.257   3.834
   78   2HZ   LYS  10          2HZ       LYS  10 -13.499   3.357   4.303
   79   3HZ   LYS  10          3HZ       LYS  10 -13.410   1.746   4.809
   80    H    ARG  11           H        ARG  11 -12.842   5.216   0.503
   81    HA   ARG  11           HA       ARG  11 -11.388   7.391  -0.816
   82   1HB   ARG  11          1HB       ARG  11 -13.520   8.673  -0.495
   83   2HB   ARG  11          2HB       ARG  11 -13.671   7.252  -1.518
   84   1HG   ARG  11          1HG       ARG  11 -15.241   6.397  -0.210
   85   2HG   ARG  11          2HG       ARG  11 -14.228   6.575   1.223
   86   1HD   ARG  11          1HD       ARG  11 -14.949   9.136   0.852
   87   2HD   ARG  11          2HD       ARG  11 -16.359   8.329   0.170
   88    HE   ARG  11           HE       ARG  11 -15.616   8.476   2.933
   89   1HH1  ARG  11          1HH1      ARG  11 -17.361   6.563   0.571
   90   2HH1  ARG  11          2HH1      ARG  11 -18.400   5.836   1.748
   91   1HH2  ARG  11          1HH2      ARG  11 -16.992   7.515   4.475
   92   2HH2  ARG  11          2HH2      ARG  11 -18.192   6.377   3.963
   93    H    PHE  12           H        PHE  12 -10.090   8.588   0.391
   94    HA   PHE  12           HA       PHE  12 -10.587   8.794   3.278
   95   1HB   PHE  12          1HB       PHE  12  -8.113   9.563   1.720
   96   2HB   PHE  12          2HB       PHE  12  -8.271   9.546   3.466
   97    HD1  PHE  12           HD1      PHE  12  -7.131   7.851   4.478
   98    HD2  PHE  12           HD2      PHE  12  -8.929   7.103   0.692
   99    HE1  PHE  12           HE1      PHE  12  -6.273   5.548   4.527
  100    HE2  PHE  12           HE2      PHE  12  -8.078   4.798   0.740
  101    HZ   PHE  12           HZ       PHE  12  -6.739   4.011   2.657
  102    H    MET  13           H        MET  13  -9.442  11.077   4.029
  103    HA   MET  13           HA       MET  13 -11.181  13.100   2.850
  104   1HB   MET  13          1HB       MET  13 -10.456  12.498   5.466
  105   2HB   MET  13          2HB       MET  13  -9.571  13.975   5.111
  106   1HG   MET  13          1HG       MET  13 -12.316  14.116   4.204
  107   2HG   MET  13          2HG       MET  13 -12.202  13.771   5.928
  108   1HE   MET  13          1HE       MET  13 -11.797  17.100   7.418
  109   2HE   MET  13          2HE       MET  13 -11.363  15.419   7.726
  110   3HE   MET  13          3HE       MET  13 -12.972  15.818   7.125
  111    H    ARG  14           H        ARG  14  -7.731  12.491   3.400
  112    HA   ARG  14           HA       ARG  14  -7.122  14.647   1.496
  113   1HB   ARG  14          1HB       ARG  14  -5.847  14.242   4.202
  114   2HB   ARG  14          2HB       ARG  14  -5.100  15.199   2.931
  115   1HG   ARG  14          1HG       ARG  14  -6.164  16.899   3.921
  116   2HG   ARG  14          2HG       ARG  14  -7.559  16.318   3.009
  117   1HD   ARG  14          1HD       ARG  14  -8.638  15.746   4.875
  118   2HD   ARG  14          2HD       ARG  14  -7.241  14.867   5.489
  119    HE   ARG  14           HE       ARG  14  -6.766  17.605   5.811
  120   1HH1  ARG  14          1HH1      ARG  14  -8.900  15.128   7.062
  121   2HH1  ARG  14          2HH1      ARG  14  -9.088  15.895   8.601
  122   1HH2  ARG  14          1HH2      ARG  14  -7.016  18.611   7.840
  123   2HH2  ARG  14          2HH2      ARG  14  -8.019  17.875   9.044
  124    H    SER  15           H        SER  15  -4.996  14.477   0.514
  125    HA   SER  15           HA       SER  15  -4.436  11.939  -0.485
  126   1HB   SER  15          1HB       SER  15  -2.415  14.179  -0.352
  127   2HB   SER  15          2HB       SER  15  -2.546  12.910  -1.568
  128    HG   SER  15           HG       SER  15  -3.446  14.744  -2.428
  129    H    ASP  16           H        ASP  16  -2.917  13.693   2.196
  130    HA   ASP  16           HA       ASP  16  -0.821  11.861   2.649
  131   1HB   ASP  16          1HB       ASP  16  -0.926  12.866   5.051
  132   2HB   ASP  16          2HB       ASP  16  -0.456  13.892   3.701
  133    H    HIS  17           H        HIS  17  -4.170  11.919   3.739
  134    HA   HIS  17           HA       HIS  17  -4.058  10.022   5.780
  135   1HB   HIS  17          1HB       HIS  17  -6.226  10.700   3.795
  136   2HB   HIS  17          2HB       HIS  17  -6.458   9.483   5.040
  137    HD1  HIS  17           HD1      HIS  17  -8.398  11.126   5.869
  138    HD2  HIS  17           HD2      HIS  17  -4.514  12.532   6.308
  139    HE1  HIS  17           HE1      HIS  17  -8.557  13.051   7.478
  140    HE2  HIS  17           HE2      HIS  17  -6.211  13.946   7.653
  141    H    LEU  18           H        LEU  18  -3.928   9.642   2.307
  142    HA   LEU  18           HA       LEU  18  -4.174   6.741   2.447
  143   1HB   LEU  18          1HB       LEU  18  -3.618   8.537   0.097
  144   2HB   LEU  18          2HB       LEU  18  -3.933   6.818   0.015
  145    HG   LEU  18           HG       LEU  18  -6.201   7.370   1.067
  146   1HD1  LEU  18          1HD1      LEU  18  -6.859   9.756   0.218
  147   2HD1  LEU  18          2HD1      LEU  18  -5.138  10.078   0.426
  148   3HD1  LEU  18          3HD1      LEU  18  -6.106   9.545   1.799
  149   1HD2  LEU  18          1HD2      LEU  18  -6.547   6.710  -1.040
  150   2HD2  LEU  18          2HD2      LEU  18  -5.208   7.677  -1.663
  151   3HD2  LEU  18          3HD2      LEU  18  -6.776   8.427  -1.365
  152    H    SER  19           H        SER  19  -1.834   9.169   1.329
  153    HA   SER  19           HA       SER  19   0.245   7.695   0.503
  154   1HB   SER  19          1HB       SER  19   0.403  10.100   0.544
  155   2HB   SER  19          2HB       SER  19   0.379  10.126   2.307
  156    HG   SER  19           HG       SER  19   2.437   9.647   2.340
  157    H    LYS  20           H        LYS  20  -0.599   8.144   3.916
  158    HA   LYS  20           HA       LYS  20   1.645   6.541   4.804
  159   1HB   LYS  20          1HB       LYS  20   0.591   8.507   6.075
  160   2HB   LYS  20          2HB       LYS  20  -0.701   7.389   6.492
  161   1HG   LYS  20          1HG       LYS  20   0.639   6.134   7.866
  162   2HG   LYS  20          2HG       LYS  20   2.119   6.598   7.026
  163   1HD   LYS  20          1HD       LYS  20   1.958   8.846   7.970
  164   2HD   LYS  20          2HD       LYS  20   0.462   8.400   8.792
  165   1HE   LYS  20          1HE       LYS  20   2.061   8.166  10.459
  166   2HE   LYS  20          2HE       LYS  20   1.877   6.520   9.855
  167   1HZ   LYS  20          1HZ       LYS  20   4.019   8.405   9.027
  168   2HZ   LYS  20          2HZ       LYS  20   3.863   6.792   8.538
  169   3HZ   LYS  20          3HZ       LYS  20   4.207   7.157  10.154
  170    H    HIS  21           H        HIS  21  -1.783   6.131   4.177
  171    HA   HIS  21           HA       HIS  21  -1.948   3.539   5.414
  172   1HB   HIS  21          1HB       HIS  21  -4.023   4.508   5.477
  173   2HB   HIS  21          2HB       HIS  21  -3.800   5.345   3.949
  174    HD1  HIS  21           HD1      HIS  21  -5.836   2.795   5.331
  175    HD2  HIS  21           HD2      HIS  21  -3.803   3.240   1.743
  176    HE1  HIS  21           HE1      HIS  21  -6.965   1.245   3.679
  177    H    ILE  22           H        ILE  22  -1.374   4.745   2.138
  178    HA   ILE  22           HA       ILE  22  -1.839   2.311   0.803
  179    HB   ILE  22           HB       ILE  22  -0.154   3.305  -0.924
  180   1HG1  ILE  22          1HG1      ILE  22  -0.838   5.987  -0.218
  181   2HG1  ILE  22          2HG1      ILE  22  -0.009   5.224   1.134
  182   1HG2  ILE  22          1HG2      ILE  22  -2.102   5.001  -1.532
  183   2HG2  ILE  22          2HG2      ILE  22  -2.945   4.085  -0.283
  184   3HG2  ILE  22          3HG2      ILE  22  -2.296   3.257  -1.699
  185   1HD1  ILE  22          1HD1      ILE  22   1.892   4.732  -0.209
  186   2HD1  ILE  22          2HD1      ILE  22   1.477   6.429  -0.456
  187   3HD1  ILE  22          3HD1      ILE  22   1.047   5.229  -1.676
  188    H    THR  23           H        THR  23   1.180   3.670   2.045
  189    HA   THR  23           HA       THR  23   2.878   1.682   1.120
  190    HB   THR  23           HB       THR  23   3.140   3.193   3.728
  191    HG1  THR  23           HG1      THR  23   3.932   3.884   1.094
  192   1HG2  THR  23          1HG2      THR  23   4.824   1.549   3.727
  193   2HG2  THR  23          2HG2      THR  23   5.595   3.043   3.193
  194   3HG2  THR  23          3HG2      THR  23   5.172   1.798   2.016
  195    H    LEU  24           H        LEU  24   0.542   1.457   3.655
  196    HA   LEU  24           HA       LEU  24   1.709  -1.088   4.568
  197   1HB   LEU  24          1HB       LEU  24   0.117  -0.908   6.463
  198   2HB   LEU  24          2HB       LEU  24   1.266   0.418   6.392
  199    HG   LEU  24           HG       LEU  24  -0.764   1.445   4.958
  200   1HD1  LEU  24          1HD1      LEU  24  -2.429   0.473   7.133
  201   2HD1  LEU  24          2HD1      LEU  24  -1.952  -0.789   5.997
  202   3HD1  LEU  24          3HD1      LEU  24  -2.787   0.652   5.412
  203   1HD2  LEU  24          1HD2      LEU  24  -1.261   2.809   6.875
  204   2HD2  LEU  24          2HD2      LEU  24   0.471   2.478   6.843
  205   3HD2  LEU  24          3HD2      LEU  24  -0.575   1.600   7.960
  206    H    HIS  25           H        HIS  25  -1.264   0.406   3.346
  207    HA   HIS  25           HA       HIS  25  -2.765  -1.993   3.346
  208   1HB   HIS  25          1HB       HIS  25  -4.454  -0.566   3.011
  209   2HB   HIS  25          2HB       HIS  25  -3.311   0.748   2.860
  210    HD1  HIS  25           HD1      HIS  25  -4.986  -1.844   0.624
  211    HD2  HIS  25           HD2      HIS  25  -3.373   1.986   0.476
  212    HE1  HIS  25           HE1      HIS  25  -5.511  -0.935  -1.675
  213    H    GLU  26           H        GLU  26  -0.607  -0.476   1.017
  214    HA   GLU  26           HA       GLU  26  -1.409  -2.210  -1.128
  215   1HB   GLU  26          1HB       GLU  26   0.296  -1.229  -2.407
  216   2HB   GLU  26          2HB       GLU  26  -0.236   0.067  -1.349
  217   1HG   GLU  26          1HG       GLU  26   1.862   0.361  -0.731
  218   2HG   GLU  26          2HG       GLU  26   1.833  -1.233   0.015
  219    H    LEU  27           H        LEU  27   0.464  -2.552   1.714
  220    HA   LEU  27           HA       LEU  27   2.044  -4.777   0.657
  221   1HB   LEU  27          1HB       LEU  27   1.991  -3.244   3.218
  222   2HB   LEU  27          2HB       LEU  27   2.658  -4.865   3.227
  223   1HD1  LEU  27          1HD1      LEU  27   5.618  -4.210   1.275
  224   2HD1  LEU  27          2HD1      LEU  27   4.156  -4.716   0.428
  225   3HD1  LEU  27          3HD1      LEU  27   4.573  -5.444   1.978
  226   1HD2  LEU  27          1HD2      LEU  27   2.602  -1.832   1.417
  227   2HD2  LEU  27          2HD2      LEU  27   3.637  -2.560   0.186
  228   3HD2  LEU  27          3HD2      LEU  27   4.338  -1.507   1.415
  229    H    LEU  28           H        LEU  28  -0.159  -4.314   3.434
  230    HA   LEU  28           HA       LEU  28  -0.816  -7.169   3.330
  231   1HB   LEU  28          1HB       LEU  28  -0.075  -5.834   5.461
  232   2HB   LEU  28          2HB       LEU  28  -1.752  -5.320   5.489
  233    HG   LEU  28           HG       LEU  28  -1.210  -8.240   5.281
  234   1HD1  LEU  28          1HD1      LEU  28   0.368  -7.427   7.006
  235   2HD1  LEU  28          2HD1      LEU  28  -0.891  -8.480   7.652
  236   3HD1  LEU  28          3HD1      LEU  28  -0.996  -6.735   7.883
  237   1HD2  LEU  28          1HD2      LEU  28  -3.204  -8.304   6.752
  238   2HD2  LEU  28          2HD2      LEU  28  -3.493  -7.474   5.224
  239   3HD2  LEU  28          3HD2      LEU  28  -3.259  -6.543   6.702
  240    H    GLY  29           H        GLY  29  -2.696  -7.849   2.536
  241   1HA   GLY  29          1HA       GLY  29  -4.698  -5.886   1.740
  242   2HA   GLY  29          2HA       GLY  29  -4.667  -7.586   1.296
  243    H    GLU  30           H        GLU  30  -5.487  -5.295   3.833
  244    HA   GLU  30           HA       GLU  30  -6.605  -7.220   5.612
  245   1HB   GLU  30          1HB       GLU  30  -5.793  -4.790   6.084
  246   2HB   GLU  30          2HB       GLU  30  -7.416  -4.329   5.588
  247   1HG   GLU  30          1HG       GLU  30  -7.242  -4.530   8.006
  248   2HG   GLU  30          2HG       GLU  30  -8.369  -5.711   7.340
  249    H    GLU  31           H        GLU  31  -8.567  -8.115   5.662
  250    HA   GLU  31           HA       GLU  31 -10.429  -7.518   3.520
  251   1HB   GLU  31          1HB       GLU  31  -9.793  -9.864   4.332
  252   2HB   GLU  31          2HB       GLU  31 -10.829  -9.543   5.716
  253   1HG   GLU  31          1HG       GLU  31 -12.661 -10.002   4.554
  254   2HG   GLU  31          2HG       GLU  31 -12.180  -8.929   3.242
  255    H    ARG  32           H        ARG  32 -10.594  -7.707   7.089
  256    HA   ARG  32           HA       ARG  32 -13.145  -6.330   7.095
  257   1HB   ARG  32          1HB       ARG  32 -12.204  -8.228   8.719
  258   2HB   ARG  32          2HB       ARG  32 -11.650  -6.825   9.622
  259   1HG   ARG  32          1HG       ARG  32 -14.167  -6.063   9.222
  260   2HG   ARG  32          2HG       ARG  32 -14.399  -7.810   9.135
  261   1HD   ARG  32          1HD       ARG  32 -12.900  -6.498  11.387
  262   2HD   ARG  32          2HD       ARG  32 -14.650  -6.711  11.422
  263    HE   ARG  32           HE       ARG  32 -13.426  -9.176  10.831
  264   1HH1  ARG  32          1HH1      ARG  32 -13.816  -6.940  13.498
  265   2HH1  ARG  32          2HH1      ARG  32 -13.681  -8.169  14.709
  266   1HH2  ARG  32          1HH2      ARG  32 -13.246 -10.791  12.431
  267   2HH2  ARG  32          2HH2      ARG  32 -13.356 -10.357  14.103
  268    H    ARG  33           H        ARG  33 -13.530  -4.263   7.717
  269    HA   ARG  33           HA       ARG  33 -11.169  -2.574   8.239
  270   1HB   ARG  33          1HB       ARG  33 -12.589  -0.705   7.299
  271   2HB   ARG  33          2HB       ARG  33 -12.078  -1.927   6.146
  272   1HG   ARG  33          1HG       ARG  33 -14.265  -2.953   6.204
  273   2HG   ARG  33          2HG       ARG  33 -14.787  -1.831   7.460
  274   1HD   ARG  33          1HD       ARG  33 -15.666  -0.901   5.524
  275   2HD   ARG  33          2HD       ARG  33 -14.175   0.010   5.762
  276    HE   ARG  33           HE       ARG  33 -13.375  -1.973   4.134
  277   1HH1  ARG  33          1HH1      ARG  33 -16.089   0.234   3.949
  278   2HH1  ARG  33          2HH1      ARG  33 -16.131   0.228   2.219
  279   1HH2  ARG  33          1HH2      ARG  33 -13.436  -1.973   1.855
  280   2HH2  ARG  33          2HH2      ARG  33 -14.626  -1.023   1.030
  Start of MODEL   23
    1    H    TYR   1           H        TYR   1 -13.901  14.605   1.764
    2    HA   TYR   1           HA       TYR   1 -12.707  12.721   0.983
    3   1HB   TYR   1          1HB       TYR   1 -15.568  12.774   1.627
    4   2HB   TYR   1          2HB       TYR   1 -15.064  11.288   0.830
    5    HD1  TYR   1           HD1      TYR   1 -14.270   9.562   2.141
    6    HD2  TYR   1           HD2      TYR   1 -13.995  13.540   3.619
    7    HE1  TYR   1           HE1      TYR   1 -13.406   8.702   4.275
    8    HE2  TYR   1           HE2      TYR   1 -13.130  12.692   5.757
    9    HH   TYR   1           HH       TYR   1 -13.463   9.992   6.938
   10    H    LYS   2           H        LYS   2 -11.811  12.988  -1.107
   11    HA   LYS   2           HA       LYS   2 -13.165  11.431  -3.140
   12   1HB   LYS   2          1HB       LYS   2 -13.645  14.074  -3.265
   13   2HB   LYS   2          2HB       LYS   2 -12.134  14.021  -4.163
   14   1HG   LYS   2          1HG       LYS   2 -13.202  12.200  -5.570
   15   2HG   LYS   2          2HG       LYS   2 -14.726  12.648  -4.802
   16   1HD   LYS   2          1HD       LYS   2 -14.134  15.050  -5.545
   17   2HD   LYS   2          2HD       LYS   2 -12.985  14.266  -6.632
   18   1HE   LYS   2          1HE       LYS   2 -14.811  14.376  -8.003
   19   2HE   LYS   2          2HE       LYS   2 -15.090  12.805  -7.253
   20   1HZ   LYS   2          1HZ       LYS   2 -17.098  14.136  -7.263
   21   2HZ   LYS   2          2HZ       LYS   2 -16.324  15.373  -6.409
   22   3HZ   LYS   2          3HZ       LYS   2 -16.583  13.873  -5.673
   23    H    PHE   3           H        PHE   3 -10.957  10.691  -1.741
   24    HA   PHE   3           HA       PHE   3  -8.908  10.673  -3.831
   25   1HB   PHE   3          1HB       PHE   3  -8.465  12.390  -1.900
   26   2HB   PHE   3          2HB       PHE   3  -8.039  10.957  -0.973
   27    HD1  PHE   3           HD1      PHE   3  -7.095  13.124  -3.765
   28    HD2  PHE   3           HD2      PHE   3  -6.059   9.689  -1.491
   29    HE1  PHE   3           HE1      PHE   3  -4.831  13.171  -4.727
   30    HE2  PHE   3           HE2      PHE   3  -3.792   9.721  -2.441
   31    HZ   PHE   3           HZ       PHE   3  -3.176  11.469  -4.068
   32    H    ALA   4           H        ALA   4  -8.800   8.585  -4.357
   33    HA   ALA   4           HA       ALA   4  -8.938   6.586  -2.234
   34   1HB   ALA   4          1HB       ALA   4 -10.720   6.370  -3.859
   35   2HB   ALA   4          2HB       ALA   4  -9.628   4.990  -3.964
   36   3HB   ALA   4          3HB       ALA   4  -9.540   6.279  -5.166
   37    H    CYS   5           H        CYS   5  -7.457   4.897  -2.140
   38    HA   CYS   5           HA       CYS   5  -4.808   5.494  -2.897
   39   1HB   CYS   5          1HB       CYS   5  -5.935   2.813  -2.066
   40   2HB   CYS   5          2HB       CYS   5  -4.248   3.305  -2.000
   41    HG   CYS   5           HG       CYS   5  -6.117   3.635   0.216
   42    HA   PRO   6           HA       PRO   6  -4.350   3.852  -6.969
   43   1HB   PRO   6          1HB       PRO   6  -1.875   2.489  -6.105
   44   2HB   PRO   6          2HB       PRO   6  -2.099   3.748  -7.324
   45   1HG   PRO   6          1HG       PRO   6  -0.926   4.273  -4.973
   46   2HG   PRO   6          2HG       PRO   6  -1.973   5.456  -5.776
   47   1HD   PRO   6          1HD       PRO   6  -2.579   3.651  -3.467
   48   2HD   PRO   6          2HD       PRO   6  -3.046   5.344  -3.729
   49    H    GLU   7           H        GLU   7  -4.186   1.721  -4.204
   50    HA   GLU   7           HA       GLU   7  -4.596  -0.636  -5.890
   51   1HB   GLU   7          1HB       GLU   7  -3.021  -0.282  -3.685
   52   2HB   GLU   7          2HB       GLU   7  -4.452  -1.018  -2.981
   53   1HG   GLU   7          1HG       GLU   7  -4.261  -2.872  -4.588
   54   2HG   GLU   7          2HG       GLU   7  -2.781  -2.146  -5.214
   55    H    CYS   8           H        CYS   8  -6.091   0.921  -3.007
   56    HA   CYS   8           HA       CYS   8  -8.521  -0.628  -3.587
   57   1HB   CYS   8          1HB       CYS   8  -9.255  -0.206  -1.338
   58   2HB   CYS   8          2HB       CYS   8  -7.649  -0.873  -1.311
   59    HG   CYS   8           HG       CYS   8  -8.064   2.178  -0.891
   60    HA   PRO   9           HA       PRO   9 -10.904   2.871  -4.622
   61   1HB   PRO   9          1HB       PRO   9 -13.352   1.965  -4.049
   62   2HB   PRO   9          2HB       PRO   9 -12.360   1.202  -5.296
   63   1HG   PRO   9          1HG       PRO   9 -12.909   0.310  -2.500
   64   2HG   PRO   9          2HG       PRO   9 -12.754  -0.657  -3.977
   65   1HD   PRO   9          1HD       PRO   9 -10.745  -0.273  -2.070
   66   2HD   PRO   9          2HD       PRO   9 -10.495  -0.846  -3.722
   67    H    LYS  10           H        LYS  10 -10.542   2.032  -1.345
   68    HA   LYS  10           HA       LYS  10 -12.473   3.483  -0.007
   69   1HB   LYS  10          1HB       LYS  10  -9.668   2.690   0.639
   70   2HB   LYS  10          2HB       LYS  10 -10.491   3.824   1.704
   71   1HG   LYS  10          1HG       LYS  10 -12.322   1.762   1.282
   72   2HG   LYS  10          2HG       LYS  10 -10.763   0.964   1.497
   73   1HD   LYS  10          1HD       LYS  10 -10.449   2.380   3.558
   74   2HD   LYS  10          2HD       LYS  10 -12.131   2.882   3.376
   75   1HE   LYS  10          1HE       LYS  10 -12.548   0.288   3.264
   76   2HE   LYS  10          2HE       LYS  10 -11.005   0.221   4.113
   77   1HZ   LYS  10          1HZ       LYS  10 -12.956   0.270   5.600
   78   2HZ   LYS  10          2HZ       LYS  10 -13.340   1.812   5.023
   79   3HZ   LYS  10          3HZ       LYS  10 -11.894   1.561   5.864
   80    H    ARG  11           H        ARG  11 -12.963   5.552   0.109
   81    HA   ARG  11           HA       ARG  11 -11.053   7.527  -0.891
   82   1HB   ARG  11          1HB       ARG  11 -12.987   9.074  -0.947
   83   2HB   ARG  11          2HB       ARG  11 -13.239   7.635  -1.921
   84   1HG   ARG  11          1HG       ARG  11 -14.622   6.676  -0.138
   85   2HG   ARG  11          2HG       ARG  11 -14.381   8.137   0.821
   86   1HD   ARG  11          1HD       ARG  11 -16.278   8.840  -0.145
   87   2HD   ARG  11          2HD       ARG  11 -15.252   9.174  -1.539
   88    HE   ARG  11           HE       ARG  11 -16.336   6.496  -1.434
   89   1HH1  ARG  11          1HH1      ARG  11 -16.803   9.768  -2.599
   90   2HH1  ARG  11          2HH1      ARG  11 -17.880   9.290  -3.867
   91   1HH2  ARG  11          1HH2      ARG  11 -17.757   5.878  -3.104
   92   2HH2  ARG  11          2HH2      ARG  11 -18.423   7.084  -4.154
   93    H    PHE  12           H        PHE  12  -9.854   8.596   0.502
   94    HA   PHE  12           HA       PHE  12 -10.622   8.708   3.321
   95   1HB   PHE  12          1HB       PHE  12  -8.034   9.538   1.988
   96   2HB   PHE  12          2HB       PHE  12  -8.320   9.473   3.716
   97    HD1  PHE  12           HD1      PHE  12  -7.035   7.833   4.647
   98    HD2  PHE  12           HD2      PHE  12  -8.981   7.023   0.947
   99    HE1  PHE  12           HE1      PHE  12  -6.175   5.530   4.697
  100    HE2  PHE  12           HE2      PHE  12  -8.127   4.720   0.999
  101    HZ   PHE  12           HZ       PHE  12  -6.716   3.964   2.873
  102    H    MET  13           H        MET  13  -9.387  10.991   4.198
  103    HA   MET  13           HA       MET  13 -11.174  13.046   3.179
  104   1HB   MET  13          1HB       MET  13 -10.994  12.757   5.594
  105   2HB   MET  13          2HB       MET  13  -9.263  13.052   5.521
  106   1HG   MET  13          1HG       MET  13 -10.275  15.035   6.306
  107   2HG   MET  13          2HG       MET  13  -9.775  15.337   4.645
  108   1HE   MET  13          1HE       MET  13 -13.994  15.153   6.351
  109   2HE   MET  13          2HE       MET  13 -12.685  16.133   7.012
  110   3HE   MET  13          3HE       MET  13 -12.558  14.374   7.019
  111    H    ARG  14           H        ARG  14  -7.673  12.523   3.553
  112    HA   ARG  14           HA       ARG  14  -7.220  14.601   1.517
  113   1HB   ARG  14          1HB       ARG  14  -5.748  14.273   4.133
  114   2HB   ARG  14          2HB       ARG  14  -5.133  15.234   2.797
  115   1HG   ARG  14          1HG       ARG  14  -6.332  16.971   3.449
  116   2HG   ARG  14          2HG       ARG  14  -7.818  16.026   3.345
  117   1HD   ARG  14          1HD       ARG  14  -7.790  15.479   5.576
  118   2HD   ARG  14          2HD       ARG  14  -6.039  15.644   5.703
  119    HE   ARG  14           HE       ARG  14  -6.996  18.176   5.190
  120   1HH1  ARG  14          1HH1      ARG  14  -7.454  15.768   7.691
  121   2HH1  ARG  14          2HH1      ARG  14  -7.754  16.937   8.932
  122   1HH2  ARG  14          1HH2      ARG  14  -7.392  19.711   6.829
  123   2HH2  ARG  14          2HH2      ARG  14  -7.719  19.175   8.443
  124    H    SER  15           H        SER  15  -5.121  14.430   0.438
  125    HA   SER  15           HA       SER  15  -4.607  11.866  -0.537
  126   1HB   SER  15          1HB       SER  15  -2.598  14.126  -0.551
  127   2HB   SER  15          2HB       SER  15  -2.767  12.822  -1.727
  128    HG   SER  15           HG       SER  15  -4.090  15.206  -1.561
  129    H    ASP  16           H        ASP  16  -2.934  13.711   1.991
  130    HA   ASP  16           HA       ASP  16  -0.825  11.895   2.408
  131   1HB   ASP  16          1HB       ASP  16  -0.798  12.981   4.768
  132   2HB   ASP  16          2HB       ASP  16  -0.429  13.973   3.363
  133    H    HIS  17           H        HIS  17  -4.118  11.977   3.662
  134    HA   HIS  17           HA       HIS  17  -3.878  10.166   5.770
  135   1HB   HIS  17          1HB       HIS  17  -6.164  10.760   3.895
  136   2HB   HIS  17          2HB       HIS  17  -6.315   9.593   5.202
  137    HD1  HIS  17           HD1      HIS  17  -8.196  11.275   6.097
  138    HD2  HIS  17           HD2      HIS  17  -4.289  12.682   6.214
  139    HE1  HIS  17           HE1      HIS  17  -8.239  13.256   7.647
  140    HE2  HIS  17           HE2      HIS  17  -5.881  14.140   7.636
  141    H    LEU  18           H        LEU  18  -3.916   9.639   2.319
  142    HA   LEU  18           HA       LEU  18  -4.169   6.750   2.586
  143   1HB   LEU  18          1HB       LEU  18  -3.645   8.451   0.163
  144   2HB   LEU  18          2HB       LEU  18  -3.946   6.730   0.144
  145    HG   LEU  18           HG       LEU  18  -6.211   7.309   1.202
  146   1HD1  LEU  18          1HD1      LEU  18  -6.926   9.632   0.295
  147   2HD1  LEU  18          2HD1      LEU  18  -5.203   9.997   0.374
  148   3HD1  LEU  18          3HD1      LEU  18  -6.072   9.530   1.834
  149   1HD2  LEU  18          1HD2      LEU  18  -5.262   7.620  -1.571
  150   2HD2  LEU  18          2HD2      LEU  18  -6.901   8.172  -1.224
  151   3HD2  LEU  18          3HD2      LEU  18  -6.447   6.502  -0.896
  152    H    SER  19           H        SER  19  -1.830   9.128   1.373
  153    HA   SER  19           HA       SER  19   0.243   7.651   0.549
  154   1HB   SER  19          1HB       SER  19   0.406  10.054   0.580
  155   2HB   SER  19          2HB       SER  19   0.395  10.085   2.343
  156    HG   SER  19           HG       SER  19   2.457   9.645   2.351
  157    H    LYS  20           H        LYS  20  -0.584   8.106   3.964
  158    HA   LYS  20           HA       LYS  20   1.672   6.534   4.865
  159   1HB   LYS  20          1HB       LYS  20   0.101   8.457   6.048
  160   2HB   LYS  20          2HB       LYS  20  -0.519   6.981   6.772
  161   1HG   LYS  20          1HG       LYS  20   2.425   7.477   6.693
  162   2HG   LYS  20          2HG       LYS  20   1.423   8.272   7.909
  163   1HD   LYS  20          1HD       LYS  20   1.262   5.308   7.469
  164   2HD   LYS  20          2HD       LYS  20   2.517   6.007   8.492
  165   1HE   LYS  20          1HE       LYS  20   0.785   7.081   9.863
  166   2HE   LYS  20          2HE       LYS  20  -0.459   6.353   8.848
  167   1HZ   LYS  20          1HZ       LYS  20   0.333   4.165   9.519
  168   2HZ   LYS  20          2HZ       LYS  20  -0.127   5.080  10.864
  169   3HZ   LYS  20          3HZ       LYS  20   1.513   4.872  10.506
  170    H    HIS  21           H        HIS  21  -1.768   6.076   4.274
  171    HA   HIS  21           HA       HIS  21  -1.862   3.458   5.464
  172   1HB   HIS  21          1HB       HIS  21  -3.948   4.368   5.604
  173   2HB   HIS  21          2HB       HIS  21  -3.771   5.282   4.115
  174    HD1  HIS  21           HD1      HIS  21  -5.730   2.630   5.421
  175    HD2  HIS  21           HD2      HIS  21  -3.816   3.305   1.806
  176    HE1  HIS  21           HE1      HIS  21  -6.900   1.167   3.719
  177    H    ILE  22           H        ILE  22  -1.327   4.718   2.209
  178    HA   ILE  22           HA       ILE  22  -1.812   2.294   0.843
  179    HB   ILE  22           HB       ILE  22  -0.179   3.314  -0.907
  180   1HG1  ILE  22          1HG1      ILE  22  -0.834   5.993  -0.191
  181   2HG1  ILE  22          2HG1      ILE  22  -0.014   5.232   1.167
  182   1HG2  ILE  22          1HG2      ILE  22  -2.923   4.274  -0.188
  183   2HG2  ILE  22          2HG2      ILE  22  -2.428   3.185  -1.483
  184   3HG2  ILE  22          3HG2      ILE  22  -2.082   4.910  -1.601
  185   1HD1  ILE  22          1HD1      ILE  22   1.035   5.310  -1.645
  186   2HD1  ILE  22          2HD1      ILE  22   1.864   4.659  -0.231
  187   3HD1  ILE  22          3HD1      ILE  22   1.531   6.388  -0.341
  188    H    THR  23           H        THR  23   1.199   3.677   2.065
  189    HA   THR  23           HA       THR  23   2.924   1.746   1.090
  190    HB   THR  23           HB       THR  23   3.140   3.183   3.747
  191    HG1  THR  23           HG1      THR  23   4.035   3.930   1.160
  192   1HG2  THR  23          1HG2      THR  23   4.827   1.548   3.756
  193   2HG2  THR  23          2HG2      THR  23   5.609   3.046   3.248
  194   3HG2  THR  23          3HG2      THR  23   5.202   1.813   2.052
  195    H    LEU  24           H        LEU  24   0.596   1.426   3.631
  196    HA   LEU  24           HA       LEU  24   1.762  -1.146   4.452
  197   1HB   LEU  24          1HB       LEU  24   0.124  -1.023   6.337
  198   2HB   LEU  24          2HB       LEU  24   1.327   0.255   6.335
  199    HG   LEU  24           HG       LEU  24  -0.664   1.434   4.939
  200   1HD1  LEU  24          1HD1      LEU  24  -2.723   0.715   5.403
  201   2HD1  LEU  24          2HD1      LEU  24  -2.334   0.404   7.097
  202   3HD1  LEU  24          3HD1      LEU  24  -1.937  -0.796   5.866
  203   1HD2  LEU  24          1HD2      LEU  24  -0.515   1.471   7.941
  204   2HD2  LEU  24          2HD2      LEU  24  -1.062   2.760   6.869
  205   3HD2  LEU  24          3HD2      LEU  24   0.638   2.292   6.889
  206    H    HIS  25           H        HIS  25  -1.266   0.350   3.359
  207    HA   HIS  25           HA       HIS  25  -2.727  -2.081   3.218
  208   1HB   HIS  25          1HB       HIS  25  -4.427  -0.637   3.023
  209   2HB   HIS  25          2HB       HIS  25  -3.299   0.693   2.882
  210    HD1  HIS  25           HD1      HIS  25  -5.128  -1.785   0.658
  211    HD2  HIS  25           HD2      HIS  25  -3.340   1.964   0.498
  212    HE1  HIS  25           HE1      HIS  25  -5.683  -0.824  -1.611
  213    H    GLU  26           H        GLU  26  -0.602  -0.375   0.998
  214    HA   GLU  26           HA       GLU  26  -1.341  -2.190  -1.169
  215   1HB   GLU  26          1HB       GLU  26  -0.510  -0.669  -2.632
  216   2HB   GLU  26          2HB       GLU  26  -0.796   0.427  -1.291
  217   1HG   GLU  26          1HG       GLU  26   1.674  -0.200  -0.662
  218   2HG   GLU  26          2HG       GLU  26   1.769  -0.630  -2.369
  219    H    LEU  27           H        LEU  27   0.996  -1.881   1.328
  220    HA   LEU  27           HA       LEU  27   3.220  -3.124   0.124
  221   1HB   LEU  27          1HB       LEU  27   3.771  -2.202   2.146
  222   2HB   LEU  27          2HB       LEU  27   2.275  -2.698   2.910
  223   1HD1  LEU  27          1HD1      LEU  27   5.744  -3.596   2.238
  224   2HD1  LEU  27          2HD1      LEU  27   5.776  -4.663   3.643
  225   3HD1  LEU  27          3HD1      LEU  27   5.335  -2.965   3.834
  226   1HD2  LEU  27          1HD2      LEU  27   3.535  -5.476   4.626
  227   2HD2  LEU  27          2HD2      LEU  27   2.067  -4.656   4.092
  228   3HD2  LEU  27          3HD2      LEU  27   3.300  -3.765   4.985
  229    H    LEU  28           H        LEU  28   0.730  -4.585   2.235
  230    HA   LEU  28           HA       LEU  28   1.395  -7.209   1.087
  231   1HB   LEU  28          1HB       LEU  28   1.531  -6.874   3.577
  232   2HB   LEU  28          2HB       LEU  28  -0.206  -6.635   3.579
  233    HG   LEU  28           HG       LEU  28  -0.347  -8.966   2.502
  234   1HD1  LEU  28          1HD1      LEU  28   2.018  -9.154   1.909
  235   2HD1  LEU  28          2HD1      LEU  28   1.513 -10.459   2.982
  236   3HD1  LEU  28          3HD1      LEU  28   2.451  -9.108   3.618
  237   1HD2  LEU  28          1HD2      LEU  28   0.657  -8.741   5.336
  238   2HD2  LEU  28          2HD2      LEU  28  -0.316 -10.049   4.663
  239   3HD2  LEU  28          3HD2      LEU  28  -1.000  -8.430   4.817
  240    H    GLY  29           H        GLY  29  -1.434  -5.289   2.125
  241   1HA   GLY  29          1HA       GLY  29  -3.190  -5.018   0.369
  242   2HA   GLY  29          2HA       GLY  29  -3.035  -6.749   0.111
  243    H    GLU  30           H        GLU  30  -3.744  -4.395   2.688
  244    HA   GLU  30           HA       GLU  30  -5.190  -6.345   4.239
  245   1HB   GLU  30          1HB       GLU  30  -3.885  -4.449   5.235
  246   2HB   GLU  30          2HB       GLU  30  -5.106  -3.348   4.613
  247   1HG   GLU  30          1HG       GLU  30  -6.785  -4.302   6.013
  248   2HG   GLU  30          2HG       GLU  30  -5.706  -5.607   6.505
  249    H    GLU  31           H        GLU  31  -7.339  -6.680   4.351
  250    HA   GLU  31           HA       GLU  31  -9.021  -5.250   2.426
  251   1HB   GLU  31          1HB       GLU  31  -9.139  -7.935   3.728
  252   2HB   GLU  31          2HB       GLU  31 -10.650  -7.186   3.230
  253   1HG   GLU  31          1HG       GLU  31  -9.168  -6.848   0.996
  254   2HG   GLU  31          2HG       GLU  31  -8.492  -8.353   1.618
  255    H    ARG  32           H        ARG  32  -9.321  -3.340   3.623
  256    HA   ARG  32           HA       ARG  32 -10.675  -3.553   6.205
  257   1HB   ARG  32          1HB       ARG  32  -9.113  -1.476   4.806
  258   2HB   ARG  32          2HB       ARG  32 -10.475  -0.880   5.744
  259   1HG   ARG  32          1HG       ARG  32  -9.189  -2.724   7.402
  260   2HG   ARG  32          2HG       ARG  32  -7.900  -1.797   6.632
  261   1HD   ARG  32          1HD       ARG  32  -8.272  -0.227   8.166
  262   2HD   ARG  32          2HD       ARG  32  -9.775   0.119   7.315
  263    HE   ARG  32           HE       ARG  32  -9.466  -1.363   9.802
  264   1HH1  ARG  32          1HH1      ARG  32 -11.613  -0.331   7.232
  265   2HH1  ARG  32          2HH1      ARG  32 -13.049  -0.618   8.153
  266   1HH2  ARG  32          1HH2      ARG  32 -11.363  -1.741  11.004
  267   2HH2  ARG  32          2HH2      ARG  32 -12.908  -1.419  10.291
  268    H    ARG  33           H        ARG  33 -12.748  -2.892   6.583
  269    HA   ARG  33           HA       ARG  33 -14.283  -1.798   4.334
  270   1HB   ARG  33          1HB       ARG  33 -16.178  -3.342   4.967
  271   2HB   ARG  33          2HB       ARG  33 -14.801  -4.110   4.195
  272   1HG   ARG  33          1HG       ARG  33 -14.843  -4.041   7.159
  273   2HG   ARG  33          2HG       ARG  33 -15.974  -5.121   6.344
  274   1HD   ARG  33          1HD       ARG  33 -14.357  -6.562   5.820
  275   2HD   ARG  33          2HD       ARG  33 -13.317  -5.281   5.200
  276    HE   ARG  33           HE       ARG  33 -13.057  -4.983   7.856
  277   1HH1  ARG  33          1HH1      ARG  33 -12.802  -7.804   5.794
  278   2HH1  ARG  33          2HH1      ARG  33 -11.669  -8.606   6.827
  279   1HH2  ARG  33          1HH2      ARG  33 -11.561  -6.045   9.209
  280   2HH2  ARG  33          2HH2      ARG  33 -10.964  -7.609   8.766
  Start of MODEL   24
    1    H    TYR   1           H        TYR   1 -13.813  14.430   2.309
    2    HA   TYR   1           HA       TYR   1 -12.551  12.831   1.200
    3   1HB   TYR   1          1HB       TYR   1 -15.538  12.420   0.952
    4   2HB   TYR   1          2HB       TYR   1 -14.366  11.124   0.741
    5    HD1  TYR   1           HD1      TYR   1 -13.061  10.306   2.659
    6    HD2  TYR   1           HD2      TYR   1 -16.067  13.278   3.134
    7    HE1  TYR   1           HE1      TYR   1 -13.069   9.901   5.083
    8    HE2  TYR   1           HE2      TYR   1 -16.085  12.883   5.560
    9    HH   TYR   1           HH       TYR   1 -15.299  10.540   7.048
   10    H    LYS   2           H        LYS   2 -11.397  12.991  -0.638
   11    HA   LYS   2           HA       LYS   2 -12.640  12.324  -3.135
   12   1HB   LYS   2          1HB       LYS   2 -12.866  14.919  -2.700
   13   2HB   LYS   2          2HB       LYS   2 -11.190  14.939  -3.231
   14   1HG   LYS   2          1HG       LYS   2 -12.089  13.573  -5.252
   15   2HG   LYS   2          2HG       LYS   2 -13.652  14.231  -4.762
   16   1HD   LYS   2          1HD       LYS   2 -12.506  16.513  -4.791
   17   2HD   LYS   2          2HD       LYS   2 -11.194  15.712  -5.659
   18   1HE   LYS   2          1HE       LYS   2 -12.835  14.965  -7.358
   19   2HE   LYS   2          2HE       LYS   2 -14.083  15.882  -6.515
   20   1HZ   LYS   2          1HZ       LYS   2 -11.629  17.010  -7.754
   21   2HZ   LYS   2          2HZ       LYS   2 -12.795  17.901  -6.913
   22   3HZ   LYS   2          3HZ       LYS   2 -13.202  17.135  -8.365
   23    H    PHE   3           H        PHE   3 -10.805  10.862  -1.866
   24    HA   PHE   3           HA       PHE   3  -8.594  10.877  -3.713
   25   1HB   PHE   3          1HB       PHE   3  -8.117  12.406  -1.575
   26   2HB   PHE   3          2HB       PHE   3  -7.704  10.849  -0.870
   27    HD1  PHE   3           HD1      PHE   3  -6.810  13.334  -3.409
   28    HD2  PHE   3           HD2      PHE   3  -5.755   9.643  -1.588
   29    HE1  PHE   3           HE1      PHE   3  -4.581  13.465  -4.438
   30    HE2  PHE   3           HE2      PHE   3  -3.522   9.757  -2.608
   31    HZ   PHE   3           HZ       PHE   3  -2.933  11.676  -4.041
   32    H    ALA   4           H        ALA   4  -8.285   8.824  -4.264
   33    HA   ALA   4           HA       ALA   4  -8.751   6.736  -2.271
   34   1HB   ALA   4          1HB       ALA   4  -9.416   6.608  -5.204
   35   2HB   ALA   4          2HB       ALA   4 -10.573   6.745  -3.880
   36   3HB   ALA   4          3HB       ALA   4  -9.598   5.285  -4.052
   37    H    CYS   5           H        CYS   5  -7.321   5.037  -2.185
   38    HA   CYS   5           HA       CYS   5  -4.685   5.479  -3.069
   39   1HB   CYS   5          1HB       CYS   5  -5.845   2.823  -2.223
   40   2HB   CYS   5          2HB       CYS   5  -4.166   3.338  -2.120
   41    HG   CYS   5           HG       CYS   5  -4.840   4.930  -0.171
   42    HA   PRO   6           HA       PRO   6  -4.529   3.779  -7.138
   43   1HB   PRO   6          1HB       PRO   6  -1.975   2.474  -6.485
   44   2HB   PRO   6          2HB       PRO   6  -2.310   3.770  -7.637
   45   1HG   PRO   6          1HG       PRO   6  -0.972   4.212  -5.344
   46   2HG   PRO   6          2HG       PRO   6  -2.053   5.425  -6.055
   47   1HD   PRO   6          1HD       PRO   6  -2.539   3.564  -3.761
   48   2HD   PRO   6          2HD       PRO   6  -3.002   5.267  -3.949
   49    H    GLU   7           H        GLU   7  -4.157   1.701  -4.359
   50    HA   GLU   7           HA       GLU   7  -4.560  -0.704  -5.969
   51   1HB   GLU   7          1HB       GLU   7  -3.674  -0.197  -3.153
   52   2HB   GLU   7          2HB       GLU   7  -4.298  -1.777  -3.604
   53   1HG   GLU   7          1HG       GLU   7  -2.425  -1.080  -5.575
   54   2HG   GLU   7          2HG       GLU   7  -1.699  -0.661  -4.025
   55    H    CYS   8           H        CYS   8  -6.020   0.873  -3.088
   56    HA   CYS   8           HA       CYS   8  -8.451  -0.695  -3.606
   57   1HB   CYS   8          1HB       CYS   8  -9.110  -0.336  -1.345
   58   2HB   CYS   8          2HB       CYS   8  -7.470  -0.907  -1.351
   59    HG   CYS   8           HG       CYS   8  -6.784   1.662  -0.893
   60    HA   PRO   9           HA       PRO   9 -10.879   2.803  -4.545
   61   1HB   PRO   9          1HB       PRO   9 -13.301   1.896  -3.883
   62   2HB   PRO   9          2HB       PRO   9 -12.350   1.122  -5.158
   63   1HG   PRO   9          1HG       PRO   9 -12.797   0.256  -2.333
   64   2HG   PRO   9          2HG       PRO   9 -12.701  -0.724  -3.806
   65   1HD   PRO   9          1HD       PRO   9 -10.614  -0.327  -1.987
   66   2HD   PRO   9          2HD       PRO   9 -10.431  -0.911  -3.644
   67    H    LYS  10           H        LYS  10 -10.441   1.935  -1.272
   68    HA   LYS  10           HA       LYS  10 -12.268   3.269   0.216
   69   1HB   LYS  10          1HB       LYS  10  -9.366   2.740   0.567
   70   2HB   LYS  10          2HB       LYS  10 -10.115   3.887   1.668
   71   1HG   LYS  10          1HG       LYS  10 -10.227   1.817   2.756
   72   2HG   LYS  10          2HG       LYS  10 -11.852   2.095   2.125
   73   1HD   LYS  10          1HD       LYS  10 -11.391   0.632   0.236
   74   2HD   LYS  10          2HD       LYS  10  -9.737   0.395   0.803
   75   1HE   LYS  10          1HE       LYS  10 -10.372  -0.991   2.502
   76   2HE   LYS  10          2HE       LYS  10 -11.945  -0.220   2.689
   77   1HZ   LYS  10          1HZ       LYS  10 -12.723  -1.324   0.721
   78   2HZ   LYS  10          2HZ       LYS  10 -12.079  -2.482   1.773
   79   3HZ   LYS  10          3HZ       LYS  10 -11.194  -1.984   0.420
   80    H    ARG  11           H        ARG  11 -12.888   5.276   0.593
   81    HA   ARG  11           HA       ARG  11 -11.449   7.459  -0.732
   82   1HB   ARG  11          1HB       ARG  11 -13.529   8.746  -0.480
   83   2HB   ARG  11          2HB       ARG  11 -13.799   7.240  -1.341
   84   1HG   ARG  11          1HG       ARG  11 -14.234   6.745   1.417
   85   2HG   ARG  11          2HG       ARG  11 -15.098   8.220   0.984
   86   1HD   ARG  11          1HD       ARG  11 -16.664   6.594   0.512
   87   2HD   ARG  11          2HD       ARG  11 -15.907   6.833  -1.059
   88    HE   ARG  11           HE       ARG  11 -15.463   4.553   0.744
   89   1HH1  ARG  11          1HH1      ARG  11 -15.149   6.003  -2.437
   90   2HH1  ARG  11          2HH1      ARG  11 -14.634   4.530  -3.184
   91   1HH2  ARG  11          1HH2      ARG  11 -14.786   2.627  -0.255
   92   2HH2  ARG  11          2HH2      ARG  11 -14.428   2.616  -1.949
   93    H    PHE  12           H        PHE  12 -10.150   8.666   0.457
   94    HA   PHE  12           HA       PHE  12 -10.582   8.819   3.361
   95   1HB   PHE  12          1HB       PHE  12  -8.128   9.576   1.766
   96   2HB   PHE  12          2HB       PHE  12  -8.254   9.549   3.515
   97    HD1  PHE  12           HD1      PHE  12  -7.101   7.838   4.484
   98    HD2  PHE  12           HD2      PHE  12  -9.005   7.128   0.743
   99    HE1  PHE  12           HE1      PHE  12  -6.274   5.523   4.504
  100    HE2  PHE  12           HE2      PHE  12  -8.185   4.810   0.761
  101    HZ   PHE  12           HZ       PHE  12  -6.809   3.999   2.642
  102    H    MET  13           H        MET  13  -9.559  11.040   4.218
  103    HA   MET  13           HA       MET  13 -11.249  13.108   3.088
  104   1HB   MET  13          1HB       MET  13 -10.943  12.595   5.589
  105   2HB   MET  13          2HB       MET  13  -9.408  13.438   5.444
  106   1HG   MET  13          1HG       MET  13 -10.621  15.228   6.021
  107   2HG   MET  13          2HG       MET  13 -11.056  15.245   4.313
  108   1HE   MET  13          1HE       MET  13 -12.509  15.291   7.885
  109   2HE   MET  13          2HE       MET  13 -14.055  15.827   7.225
  110   3HE   MET  13          3HE       MET  13 -12.560  16.603   6.707
  111    H    ARG  14           H        ARG  14  -7.784  12.471   3.499
  112    HA   ARG  14           HA       ARG  14  -7.233  14.638   1.589
  113   1HB   ARG  14          1HB       ARG  14  -5.815  14.182   4.218
  114   2HB   ARG  14          2HB       ARG  14  -5.177  15.198   2.935
  115   1HG   ARG  14          1HG       ARG  14  -6.219  16.847   4.028
  116   2HG   ARG  14          2HG       ARG  14  -7.666  16.235   3.223
  117   1HD   ARG  14          1HD       ARG  14  -8.456  15.212   5.118
  118   2HD   ARG  14          2HD       ARG  14  -6.847  15.004   5.807
  119    HE   ARG  14           HE       ARG  14  -7.310  17.725   5.753
  120   1HH1  ARG  14          1HH1      ARG  14  -8.797  14.929   7.245
  121   2HH1  ARG  14          2HH1      ARG  14  -9.375  15.813   8.615
  122   1HH2  ARG  14          1HH2      ARG  14  -8.074  18.886   7.562
  123   2HH2  ARG  14          2HH2      ARG  14  -8.965  18.060   8.796
  124    H    SER  15           H        SER  15  -5.138  14.460   0.527
  125    HA   SER  15           HA       SER  15  -4.636  11.919  -0.502
  126   1HB   SER  15          1HB       SER  15  -2.572  12.941  -1.454
  127   2HB   SER  15          2HB       SER  15  -4.012  13.917  -1.724
  128    HG   SER  15           HG       SER  15  -1.783  14.427  -0.152
  129    H    ASP  16           H        ASP  16  -2.972  13.692   2.082
  130    HA   ASP  16           HA       ASP  16  -0.869  11.859   2.463
  131   1HB   ASP  16          1HB       ASP  16  -0.843  12.882   4.845
  132   2HB   ASP  16          2HB       ASP  16  -0.489  13.921   3.471
  133    H    HIS  17           H        HIS  17  -4.176  11.905   3.675
  134    HA   HIS  17           HA       HIS  17  -3.972  10.039   5.741
  135   1HB   HIS  17          1HB       HIS  17  -6.207  10.702   3.832
  136   2HB   HIS  17          2HB       HIS  17  -6.391   9.447   5.048
  137    HD1  HIS  17           HD1      HIS  17  -8.317  10.991   6.019
  138    HD2  HIS  17           HD2      HIS  17  -4.472  12.533   6.301
  139    HE1  HIS  17           HE1      HIS  17  -8.467  12.866   7.686
  140    HE2  HIS  17           HE2      HIS  17  -6.146  13.843   7.770
  141    H    LEU  18           H        LEU  18  -3.913   9.616   2.278
  142    HA   LEU  18           HA       LEU  18  -4.140   6.715   2.462
  143   1HB   LEU  18          1HB       LEU  18  -3.664   8.479   0.071
  144   2HB   LEU  18          2HB       LEU  18  -3.979   6.758   0.027
  145    HG   LEU  18           HG       LEU  18  -6.211   7.333   1.154
  146   1HD1  LEU  18          1HD1      LEU  18  -6.901   9.692   0.262
  147   2HD1  LEU  18          2HD1      LEU  18  -5.176  10.021   0.399
  148   3HD1  LEU  18          3HD1      LEU  18  -6.094   9.526   1.820
  149   1HD2  LEU  18          1HD2      LEU  18  -6.589   6.595  -0.931
  150   2HD2  LEU  18          2HD2      LEU  18  -5.322   7.610  -1.625
  151   3HD2  LEU  18          3HD2      LEU  18  -6.906   8.296  -1.266
  152    H    SER  19           H        SER  19  -1.848   9.148   1.257
  153    HA   SER  19           HA       SER  19   0.224   7.671   0.404
  154   1HB   SER  19          1HB       SER  19   0.330  10.091   0.407
  155   2HB   SER  19          2HB       SER  19   0.405  10.127   2.169
  156    HG   SER  19           HG       SER  19   2.460  10.342   0.997
  157    H    LYS  20           H        LYS  20  -0.593   8.133   3.809
  158    HA   LYS  20           HA       LYS  20   1.701   6.590   4.700
  159   1HB   LYS  20          1HB       LYS  20   0.490   8.599   5.897
  160   2HB   LYS  20          2HB       LYS  20  -0.592   7.343   6.481
  161   1HG   LYS  20          1HG       LYS  20   2.263   6.750   6.806
  162   2HG   LYS  20          2HG       LYS  20   1.678   8.138   7.726
  163   1HD   LYS  20          1HD       LYS  20  -0.203   6.646   8.530
  164   2HD   LYS  20          2HD       LYS  20   0.690   5.296   7.827
  165   1HE   LYS  20          1HE       LYS  20   2.028   7.174   9.736
  166   2HE   LYS  20          2HE       LYS  20   1.008   5.869  10.338
  167   1HZ   LYS  20          1HZ       LYS  20   3.391   5.552   8.592
  168   2HZ   LYS  20          2HZ       LYS  20   2.399   4.290   9.127
  169   3HZ   LYS  20          3HZ       LYS  20   3.307   5.179  10.242
  170    H    HIS  21           H        HIS  21  -1.733   6.147   4.133
  171    HA   HIS  21           HA       HIS  21  -1.868   3.580   5.427
  172   1HB   HIS  21          1HB       HIS  21  -3.955   4.488   5.518
  173   2HB   HIS  21          2HB       HIS  21  -3.749   5.385   4.021
  174    HD1  HIS  21           HD1      HIS  21  -5.747   2.760   5.323
  175    HD2  HIS  21           HD2      HIS  21  -3.762   3.379   1.736
  176    HE1  HIS  21           HE1      HIS  21  -6.871   1.258   3.623
  177    H    ILE  22           H        ILE  22  -1.290   4.733   2.146
  178    HA   ILE  22           HA       ILE  22  -1.815   2.298   0.832
  179    HB   ILE  22           HB       ILE  22  -0.077   3.247  -0.890
  180   1HG1  ILE  22          1HG1      ILE  22  -0.810   5.939  -0.208
  181   2HG1  ILE  22          2HG1      ILE  22   0.062   5.192   1.127
  182   1HG2  ILE  22          1HG2      ILE  22  -2.847   4.245  -0.318
  183   2HG2  ILE  22          2HG2      ILE  22  -2.315   3.082  -1.533
  184   3HG2  ILE  22          3HG2      ILE  22  -1.944   4.795  -1.730
  185   1HD1  ILE  22          1HD1      ILE  22   1.488   6.420  -0.500
  186   2HD1  ILE  22          2HD1      ILE  22   1.059   5.205  -1.703
  187   3HD1  ILE  22          3HD1      ILE  22   1.943   4.734  -0.251
  188    H    THR  23           H        THR  23   1.222   3.604   2.086
  189    HA   THR  23           HA       THR  23   2.916   1.617   1.195
  190    HB   THR  23           HB       THR  23   3.355   3.808   2.592
  191    HG1  THR  23           HG1      THR  23   5.170   2.964   1.917
  192   1HG2  THR  23          1HG2      THR  23   3.680   1.787   4.784
  193   2HG2  THR  23          2HG2      THR  23   2.284   2.859   4.665
  194   3HG2  THR  23          3HG2      THR  23   3.902   3.534   4.858
  195    H    LEU  24           H        LEU  24   0.615   1.461   3.818
  196    HA   LEU  24           HA       LEU  24   1.608  -1.171   4.637
  197   1HB   LEU  24          1HB       LEU  24  -0.083  -0.964   6.466
  198   2HB   LEU  24          2HB       LEU  24   1.159   0.276   6.481
  199    HG   LEU  24           HG       LEU  24  -0.760   1.476   4.993
  200   1HD1  LEU  24          1HD1      LEU  24  -2.849   0.838   5.431
  201   2HD1  LEU  24          2HD1      LEU  24  -2.507   0.571   7.143
  202   3HD1  LEU  24          3HD1      LEU  24  -2.122  -0.679   5.961
  203   1HD2  LEU  24          1HD2      LEU  24  -0.619   1.594   7.996
  204   2HD2  LEU  24          2HD2      LEU  24  -1.185   2.857   6.902
  205   3HD2  LEU  24          3HD2      LEU  24   0.516   2.394   6.909
  206    H    HIS  25           H        HIS  25  -1.334   0.385   3.391
  207    HA   HIS  25           HA       HIS  25  -2.858  -2.007   3.291
  208   1HB   HIS  25          1HB       HIS  25  -4.511  -0.551   2.950
  209   2HB   HIS  25          2HB       HIS  25  -3.352   0.755   2.837
  210    HD1  HIS  25           HD1      HIS  25  -5.020  -1.790   0.543
  211    HD2  HIS  25           HD2      HIS  25  -3.359   2.021   0.465
  212    HE1  HIS  25           HE1      HIS  25  -5.508  -0.845  -1.749
  213    H    GLU  26           H        GLU  26  -0.590  -0.473   1.102
  214    HA   GLU  26           HA       GLU  26  -1.286  -2.293  -1.062
  215   1HB   GLU  26          1HB       GLU  26  -0.003  -0.983  -2.459
  216   2HB   GLU  26          2HB       GLU  26  -0.499   0.208  -1.269
  217   1HG   GLU  26          1HG       GLU  26   1.710   0.701  -1.385
  218   2HG   GLU  26          2HG       GLU  26   1.767  -0.522  -0.117
  219    H    LEU  27           H        LEU  27   0.894  -2.082   1.610
  220    HA   LEU  27           HA       LEU  27   3.099  -3.532   0.802
  221   1HB   LEU  27          1HB       LEU  27   3.103  -2.633   2.985
  222   2HB   LEU  27          2HB       LEU  27   1.620  -3.456   3.418
  223   1HD1  LEU  27          1HD1      LEU  27   3.937  -3.648   5.288
  224   2HD1  LEU  27          2HD1      LEU  27   5.022  -3.406   3.920
  225   3HD1  LEU  27          3HD1      LEU  27   5.043  -4.933   4.803
  226   1HD2  LEU  27          1HD2      LEU  27   2.980  -6.109   5.064
  227   2HD2  LEU  27          2HD2      LEU  27   2.112  -6.426   3.561
  228   3HD2  LEU  27          3HD2      LEU  27   1.584  -5.124   4.626
  229    H    LEU  28           H        LEU  28  -0.044  -4.791   1.893
  230    HA   LEU  28           HA       LEU  28   0.727  -7.536   1.523
  231   1HB   LEU  28          1HB       LEU  28  -1.795  -6.110   2.256
  232   2HB   LEU  28          2HB       LEU  28  -1.890  -7.775   1.717
  233    HG   LEU  28           HG       LEU  28  -0.049  -6.997   3.956
  234   1HD1  LEU  28          1HD1      LEU  28  -1.838  -7.586   5.531
  235   2HD1  LEU  28          2HD1      LEU  28  -2.974  -7.685   4.185
  236   3HD1  LEU  28          3HD1      LEU  28  -2.223  -6.143   4.594
  237   1HD2  LEU  28          1HD2      LEU  28  -0.463  -9.348   4.613
  238   2HD2  LEU  28          2HD2      LEU  28   0.280  -9.193   3.021
  239   3HD2  LEU  28          3HD2      LEU  28  -1.442  -9.550   3.159
  240    H    GLY  29           H        GLY  29  -1.293  -5.195  -0.232
  241   1HA   GLY  29          1HA       GLY  29  -0.907  -5.420  -2.739
  242   2HA   GLY  29          2HA       GLY  29  -1.413  -7.085  -2.496
  243    H    GLU  30           H        GLU  30  -3.144  -6.812  -3.950
  244    HA   GLU  30           HA       GLU  30  -5.294  -5.015  -3.058
  245   1HB   GLU  30          1HB       GLU  30  -6.273  -5.425  -5.325
  246   2HB   GLU  30          2HB       GLU  30  -4.716  -4.612  -5.342
  247   1HG   GLU  30          1HG       GLU  30  -4.443  -7.493  -5.520
  248   2HG   GLU  30          2HG       GLU  30  -5.441  -6.832  -6.815
  249    H    GLU  31           H        GLU  31  -4.516  -8.385  -3.675
  250    HA   GLU  31           HA       GLU  31  -7.179  -9.366  -3.489
  251   1HB   GLU  31          1HB       GLU  31  -5.154 -10.534  -4.524
  252   2HB   GLU  31          2HB       GLU  31  -4.685 -10.948  -2.881
  253   1HG   GLU  31          1HG       GLU  31  -5.820 -12.822  -3.701
  254   2HG   GLU  31          2HG       GLU  31  -6.970 -12.009  -2.640
  255    H    ARG  32           H        ARG  32  -8.285  -8.828  -1.694
  256    HA   ARG  32           HA       ARG  32  -7.054  -9.341   0.926
  257   1HB   ARG  32          1HB       ARG  32  -8.084  -7.055   0.281
  258   2HB   ARG  32          2HB       ARG  32  -9.635  -7.856   0.496
  259   1HG   ARG  32          1HG       ARG  32  -8.478  -8.543   2.807
  260   2HG   ARG  32          2HG       ARG  32  -7.631  -7.026   2.499
  261   1HD   ARG  32          1HD       ARG  32  -9.567  -6.530   3.806
  262   2HD   ARG  32          2HD       ARG  32  -9.853  -5.939   2.170
  263    HE   ARG  32           HE       ARG  32 -11.564  -7.445   1.950
  264   1HH1  ARG  32          1HH1      ARG  32  -9.663  -8.323   4.761
  265   2HH1  ARG  32          2HH1      ARG  32 -10.791  -9.520   5.299
  266   1HH2  ARG  32          1HH2      ARG  32 -13.044  -9.023   2.672
  267   2HH2  ARG  32          2HH2      ARG  32 -12.706  -9.918   4.114
  268    H    ARG  33           H        ARG  33  -7.558 -11.669   0.012
  269    HA   ARG  33           HA       ARG  33 -10.303 -12.470   0.639
  270   1HB   ARG  33          1HB       ARG  33  -8.014 -13.978  -0.636
  271   2HB   ARG  33          2HB       ARG  33  -9.583 -14.689  -0.282
  272   1HG   ARG  33          1HG       ARG  33 -10.511 -12.734  -1.711
  273   2HG   ARG  33          2HG       ARG  33  -8.857 -12.630  -2.319
  274   1HD   ARG  33          1HD       ARG  33  -9.173 -15.233  -2.614
  275   2HD   ARG  33          2HD       ARG  33 -10.879 -14.792  -2.649
  276    HE   ARG  33           HE       ARG  33  -8.917 -14.305  -4.687
  277   1HH1  ARG  33          1HH1      ARG  33 -11.968 -13.212  -3.357
  278   2HH1  ARG  33          2HH1      ARG  33 -12.482 -12.467  -4.832
  279   1HH2  ARG  33          1HH2      ARG  33  -9.602 -13.319  -6.625
  280   2HH2  ARG  33          2HH2      ARG  33 -11.141 -12.528  -6.687
  Start of MODEL   25
    1    H    TYR   1           H        TYR   1 -12.945  15.062   0.079
    2    HA   TYR   1           HA       TYR   1 -12.630  12.836   0.839
    3   1HB   TYR   1          1HB       TYR   1 -15.460  13.159   1.442
    4   2HB   TYR   1          2HB       TYR   1 -15.158  11.684   0.529
    5    HD1  TYR   1           HD1      TYR   1 -14.806   9.785   1.778
    6    HD2  TYR   1           HD2      TYR   1 -13.614  13.532   3.400
    7    HE1  TYR   1           HE1      TYR   1 -14.079   8.656   3.837
    8    HE2  TYR   1           HE2      TYR   1 -12.882  12.414   5.463
    9    HH   TYR   1           HH       TYR   1 -13.764   9.777   6.540
   10    H    LYS   2           H        LYS   2 -11.633  13.096  -1.216
   11    HA   LYS   2           HA       LYS   2 -12.984  11.639  -3.318
   12   1HB   LYS   2          1HB       LYS   2 -13.304  14.340  -3.393
   13   2HB   LYS   2          2HB       LYS   2 -11.832  14.161  -4.336
   14   1HG   LYS   2          1HG       LYS   2 -13.643  12.193  -5.243
   15   2HG   LYS   2          2HG       LYS   2 -14.532  13.713  -5.119
   16   1HD   LYS   2          1HD       LYS   2 -12.955  14.826  -6.536
   17   2HD   LYS   2          2HD       LYS   2 -11.875  13.431  -6.516
   18   1HE   LYS   2          1HE       LYS   2 -14.670  13.090  -7.500
   19   2HE   LYS   2          2HE       LYS   2 -13.484  13.867  -8.547
   20   1HZ   LYS   2          1HZ       LYS   2 -12.076  11.919  -8.349
   21   2HZ   LYS   2          2HZ       LYS   2 -13.600  11.483  -8.937
   22   3HZ   LYS   2          3HZ       LYS   2 -13.198  11.174  -7.323
   23    H    PHE   3           H        PHE   3 -10.828  10.839  -1.842
   24    HA   PHE   3           HA       PHE   3  -8.743  10.732  -3.887
   25   1HB   PHE   3          1HB       PHE   3  -8.309  12.498  -1.982
   26   2HB   PHE   3          2HB       PHE   3  -7.879  11.076  -1.039
   27    HD1  PHE   3           HD1      PHE   3  -6.898  13.297  -3.744
   28    HD2  PHE   3           HD2      PHE   3  -5.952   9.713  -1.670
   29    HE1  PHE   3           HE1      PHE   3  -4.640  13.331  -4.719
   30    HE2  PHE   3           HE2      PHE   3  -3.690   9.731  -2.632
   31    HZ   PHE   3           HZ       PHE   3  -3.032  11.548  -4.165
   32    H    ALA   4           H        ALA   4  -8.710   8.630  -4.348
   33    HA   ALA   4           HA       ALA   4  -8.829   6.701  -2.156
   34   1HB   ALA   4          1HB       ALA   4  -9.567   6.297  -5.047
   35   2HB   ALA   4          2HB       ALA   4 -10.695   6.503  -3.707
   36   3HB   ALA   4          3HB       ALA   4  -9.662   5.075  -3.779
   37    H    CYS   5           H        CYS   5  -7.426   4.912  -2.153
   38    HA   CYS   5           HA       CYS   5  -4.787   5.443  -3.008
   39   1HB   CYS   5          1HB       CYS   5  -5.914   2.768  -2.160
   40   2HB   CYS   5          2HB       CYS   5  -4.231   3.278  -2.097
   41    HG   CYS   5           HG       CYS   5  -5.966   3.497   0.172
   42    HA   PRO   6           HA       PRO   6  -4.585   3.751  -7.081
   43   1HB   PRO   6          1HB       PRO   6  -2.151   2.525  -7.075
   44   2HB   PRO   6          2HB       PRO   6  -2.354   4.279  -7.153
   45   1HG   PRO   6          1HG       PRO   6  -1.732   2.546  -4.791
   46   2HG   PRO   6          2HG       PRO   6  -1.024   4.106  -5.253
   47   1HD   PRO   6          1HD       PRO   6  -2.914   3.898  -3.343
   48   2HD   PRO   6          2HD       PRO   6  -2.812   5.307  -4.417
   49    H    GLU   7           H        GLU   7  -4.368   1.655  -4.319
   50    HA   GLU   7           HA       GLU   7  -4.750  -0.722  -5.992
   51   1HB   GLU   7          1HB       GLU   7  -2.955  -0.713  -4.238
   52   2HB   GLU   7          2HB       GLU   7  -4.218  -0.618  -3.024
   53   1HG   GLU   7          1HG       GLU   7  -5.120  -2.755  -4.249
   54   2HG   GLU   7          2HG       GLU   7  -3.446  -2.882  -4.789
   55    H    CYS   8           H        CYS   8  -6.177   0.853  -3.091
   56    HA   CYS   8           HA       CYS   8  -8.612  -0.716  -3.584
   57   1HB   CYS   8          1HB       CYS   8  -9.289  -0.259  -1.319
   58   2HB   CYS   8          2HB       CYS   8  -7.687  -0.939  -1.331
   59    HG   CYS   8           HG       CYS   8  -7.982   2.128  -0.995
   60    HA   PRO   9           HA       PRO   9 -11.020   2.787  -4.566
   61   1HB   PRO   9          1HB       PRO   9 -13.453   1.864  -3.965
   62   2HB   PRO   9          2HB       PRO   9 -12.474   1.102  -5.223
   63   1HG   PRO   9          1HG       PRO   9 -12.978   0.216  -2.416
   64   2HG   PRO   9          2HG       PRO   9 -12.846  -0.755  -3.893
   65   1HD   PRO   9          1HD       PRO   9 -10.802  -0.356  -2.022
   66   2HD   PRO   9          2HD       PRO   9 -10.582  -0.940  -3.676
   67    H    LYS  10           H        LYS  10 -10.440   2.019  -1.352
   68    HA   LYS  10           HA       LYS  10 -12.361   3.322   0.136
   69   1HB   LYS  10          1HB       LYS  10  -9.463   2.746   0.547
   70   2HB   LYS  10          2HB       LYS  10 -10.265   3.835   1.670
   71   1HG   LYS  10          1HG       LYS  10 -12.039   1.858   1.714
   72   2HG   LYS  10          2HG       LYS  10 -10.611   0.921   1.267
   73   1HD   LYS  10          1HD       LYS  10  -9.422   1.769   3.215
   74   2HD   LYS  10          2HD       LYS  10 -10.811   2.768   3.647
   75   1HE   LYS  10          1HE       LYS  10 -11.047  -0.211   3.363
   76   2HE   LYS  10          2HE       LYS  10 -10.498   0.528   4.866
   77   1HZ   LYS  10          1HZ       LYS  10 -12.575   1.811   4.913
   78   2HZ   LYS  10          2HZ       LYS  10 -12.856   0.144   4.954
   79   3HZ   LYS  10          3HZ       LYS  10 -13.103   1.007   3.521
   80    H    ARG  11           H        ARG  11 -12.971   5.346   0.378
   81    HA   ARG  11           HA       ARG  11 -11.377   7.468  -0.854
   82   1HB   ARG  11          1HB       ARG  11 -13.471   8.850  -0.471
   83   2HB   ARG  11          2HB       ARG  11 -13.616   7.530  -1.621
   84   1HG   ARG  11          1HG       ARG  11 -14.937   6.263  -0.202
   85   2HG   ARG  11          2HG       ARG  11 -14.401   7.132   1.237
   86   1HD   ARG  11          1HD       ARG  11 -16.231   8.383   1.084
   87   2HD   ARG  11          2HD       ARG  11 -15.576   9.066  -0.404
   88    HE   ARG  11           HE       ARG  11 -16.893   6.593  -0.892
   89   1HH1  ARG  11          1HH1      ARG  11 -17.506   9.985  -0.278
   90   2HH1  ARG  11          2HH1      ARG  11 -19.029   9.984  -1.100
   91   1HH2  ARG  11          1HH2      ARG  11 -18.902   6.598  -1.973
   92   2HH2  ARG  11          2HH2      ARG  11 -19.822   8.062  -2.062
   93    H    PHE  12           H        PHE  12 -10.053   8.586   0.394
   94    HA   PHE  12           HA       PHE  12 -10.523   8.699   3.283
   95   1HB   PHE  12          1HB       PHE  12  -8.097   9.543   1.683
   96   2HB   PHE  12          2HB       PHE  12  -8.209   9.526   3.432
   97    HD1  PHE  12           HD1      PHE  12  -6.974   7.867   4.386
   98    HD2  PHE  12           HD2      PHE  12  -8.952   7.053   0.706
   99    HE1  PHE  12           HE1      PHE  12  -6.090   5.571   4.420
  100    HE2  PHE  12           HE2      PHE  12  -8.078   4.756   0.739
  101    HZ   PHE  12           HZ       PHE  12  -6.635   4.006   2.595
  102    H    MET  13           H        MET  13  -9.210  11.039   3.952
  103    HA   MET  13           HA       MET  13 -11.092  13.047   2.946
  104   1HB   MET  13          1HB       MET  13 -10.669  12.468   5.469
  105   2HB   MET  13          2HB       MET  13  -9.269  13.513   5.274
  106   1HG   MET  13          1HG       MET  13 -10.704  15.345   4.591
  107   2HG   MET  13          2HG       MET  13 -12.118  14.302   4.713
  108   1HE   MET  13          1HE       MET  13 -13.067  16.362   6.110
  109   2HE   MET  13          2HE       MET  13 -13.172  16.048   7.843
  110   3HE   MET  13          3HE       MET  13 -13.678  14.813   6.692
  111    H    ARG  14           H        ARG  14  -7.626  12.455   3.356
  112    HA   ARG  14           HA       ARG  14  -7.091  14.614   1.441
  113   1HB   ARG  14          1HB       ARG  14  -5.775  14.269   4.135
  114   2HB   ARG  14          2HB       ARG  14  -5.055  15.216   2.842
  115   1HG   ARG  14          1HG       ARG  14  -6.147  16.935   3.742
  116   2HG   ARG  14          2HG       ARG  14  -7.579  16.255   2.968
  117   1HD   ARG  14          1HD       ARG  14  -7.947  14.913   5.059
  118   2HD   ARG  14          2HD       ARG  14  -6.652  15.846   5.807
  119    HE   ARG  14           HE       ARG  14  -9.338  16.730   5.240
  120   1HH1  ARG  14          1HH1      ARG  14  -6.054  17.746   5.906
  121   2HH1  ARG  14          2HH1      ARG  14  -6.526  19.306   6.490
  122   1HH2  ARG  14          1HH2      ARG  14  -9.953  18.785   6.007
  123   2HH2  ARG  14          2HH2      ARG  14  -8.740  19.896   6.548
  124    H    SER  15           H        SER  15  -4.963  14.461   0.428
  125    HA   SER  15           HA       SER  15  -4.374  11.923  -0.548
  126   1HB   SER  15          1HB       SER  15  -3.655  13.815  -1.810
  127   2HB   SER  15          2HB       SER  15  -2.718  14.451  -0.459
  128    HG   SER  15           HG       SER  15  -2.171  12.055  -1.885
  129    H    ASP  16           H        ASP  16  -2.862  13.718   2.114
  130    HA   ASP  16           HA       ASP  16  -0.785  11.886   2.634
  131   1HB   ASP  16          1HB       ASP  16  -0.914  12.935   5.010
  132   2HB   ASP  16          2HB       ASP  16  -0.439  13.943   3.649
  133    H    HIS  17           H        HIS  17  -4.140  12.011   3.739
  134    HA   HIS  17           HA       HIS  17  -4.054  10.138   5.797
  135   1HB   HIS  17          1HB       HIS  17  -6.206  10.832   3.804
  136   2HB   HIS  17          2HB       HIS  17  -6.459   9.596   5.026
  137    HD1  HIS  17           HD1      HIS  17  -8.383  11.196   5.918
  138    HD2  HIS  17           HD2      HIS  17  -4.516  12.654   6.310
  139    HE1  HIS  17           HE1      HIS  17  -8.546  13.098   7.553
  140    HE2  HIS  17           HE2      HIS  17  -6.212  14.035   7.688
  141    H    LEU  18           H        LEU  18  -3.890   9.701   2.338
  142    HA   LEU  18           HA       LEU  18  -4.195   6.812   2.492
  143   1HB   LEU  18          1HB       LEU  18  -3.540   8.637   0.194
  144   2HB   LEU  18          2HB       LEU  18  -3.747   6.906   0.056
  145    HG   LEU  18           HG       LEU  18  -6.109   7.337   1.009
  146   1HD1  LEU  18          1HD1      LEU  18  -5.187  10.085   0.268
  147   2HD1  LEU  18          2HD1      LEU  18  -6.085   9.556   1.690
  148   3HD1  LEU  18          3HD1      LEU  18  -6.886   9.635   0.121
  149   1HD2  LEU  18          1HD2      LEU  18  -5.076   7.928  -1.723
  150   2HD2  LEU  18          2HD2      LEU  18  -6.801   8.064  -1.377
  151   3HD2  LEU  18          3HD2      LEU  18  -5.973   6.524  -1.146
  152    H    SER  19           H        SER  19  -1.755   9.169   1.449
  153    HA   SER  19           HA       SER  19   0.327   7.660   0.729
  154   1HB   SER  19          1HB       SER  19   0.513  10.067   0.777
  155   2HB   SER  19          2HB       SER  19   0.444  10.086   2.539
  156    HG   SER  19           HG       SER  19   2.542   9.365   0.835
  157    H    LYS  20           H        LYS  20  -0.631   8.154   4.108
  158    HA   LYS  20           HA       LYS  20   1.551   6.559   5.122
  159   1HB   LYS  20          1HB       LYS  20   0.417   8.495   6.337
  160   2HB   LYS  20          2HB       LYS  20  -0.922   7.394   6.633
  161   1HG   LYS  20          1HG       LYS  20   1.029   5.863   7.567
  162   2HG   LYS  20          2HG       LYS  20   1.802   7.430   7.800
  163   1HD   LYS  20          1HD       LYS  20   0.690   7.090   9.813
  164   2HD   LYS  20          2HD       LYS  20  -0.428   8.112   8.910
  165   1HE   LYS  20          1HE       LYS  20  -1.707   6.132   8.252
  166   2HE   LYS  20          2HE       LYS  20  -0.583   5.107   9.141
  167   1HZ   LYS  20          1HZ       LYS  20  -1.245   6.192  11.185
  168   2HZ   LYS  20          2HZ       LYS  20  -2.605   5.560  10.403
  169   3HZ   LYS  20          3HZ       LYS  20  -2.292   7.222  10.343
  170    H    HIS  21           H        HIS  21  -1.820   6.069   4.270
  171    HA   HIS  21           HA       HIS  21  -1.960   3.455   5.497
  172   1HB   HIS  21          1HB       HIS  21  -4.055   4.366   5.564
  173   2HB   HIS  21          2HB       HIS  21  -3.831   5.269   4.075
  174    HD1  HIS  21           HD1      HIS  21  -5.924   2.739   5.296
  175    HD2  HIS  21           HD2      HIS  21  -3.701   3.152   1.819
  176    HE1  HIS  21           HE1      HIS  21  -7.009   1.229   3.577
  177    H    ILE  22           H        ILE  22  -1.402   4.746   2.249
  178    HA   ILE  22           HA       ILE  22  -1.778   2.312   0.874
  179    HB   ILE  22           HB       ILE  22  -0.174   3.398  -0.853
  180   1HG1  ILE  22          1HG1      ILE  22  -0.904   6.051  -0.093
  181   2HG1  ILE  22          2HG1      ILE  22  -0.045   5.287   1.239
  182   1HG2  ILE  22          1HG2      ILE  22  -2.971   4.033  -0.148
  183   2HG2  ILE  22          2HG2      ILE  22  -2.300   3.352  -1.629
  184   3HG2  ILE  22          3HG2      ILE  22  -2.198   5.087  -1.331
  185   1HD1  ILE  22          1HD1      ILE  22   1.391   6.550  -0.361
  186   2HD1  ILE  22          2HD1      ILE  22   0.986   5.339  -1.578
  187   3HD1  ILE  22          3HD1      ILE  22   1.856   4.866  -0.118
  188    H    THR  23           H        THR  23   1.162   3.788   2.157
  189    HA   THR  23           HA       THR  23   3.001   2.002   1.162
  190    HB   THR  23           HB       THR  23   3.246   4.129   2.709
  191    HG1  THR  23           HG1      THR  23   5.142   3.575   1.997
  192   1HG2  THR  23          1HG2      THR  23   2.326   2.937   4.718
  193   2HG2  THR  23          2HG2      THR  23   3.885   3.733   4.937
  194   3HG2  THR  23          3HG2      THR  23   3.809   1.982   4.728
  195    H    LEU  24           H        LEU  24   0.664   1.439   3.644
  196    HA   LEU  24           HA       LEU  24   1.880  -1.165   4.275
  197   1HB   LEU  24          1HB       LEU  24   0.292  -1.205   6.185
  198   2HB   LEU  24          2HB       LEU  24   1.422   0.138   6.244
  199    HG   LEU  24           HG       LEU  24  -0.651   1.250   4.911
  200   1HD1  LEU  24          1HD1      LEU  24  -2.637   0.367   5.336
  201   2HD1  LEU  24          2HD1      LEU  24  -2.256   0.125   7.043
  202   3HD1  LEU  24          3HD1      LEU  24  -1.766  -1.079   5.853
  203   1HD2  LEU  24          1HD2      LEU  24  -0.464   1.213   7.911
  204   2HD2  LEU  24          2HD2      LEU  24  -1.060   2.513   6.877
  205   3HD2  LEU  24          3HD2      LEU  24   0.655   2.103   6.877
  206    H    HIS  25           H        HIS  25  -1.165   0.377   3.296
  207    HA   HIS  25           HA       HIS  25  -2.615  -2.037   3.024
  208   1HB   HIS  25          1HB       HIS  25  -4.299  -0.562   2.920
  209   2HB   HIS  25          2HB       HIS  25  -3.175   0.765   2.717
  210    HD1  HIS  25           HD1      HIS  25  -5.114  -1.731   0.622
  211    HD2  HIS  25           HD2      HIS  25  -3.246   1.970   0.296
  212    HE1  HIS  25           HE1      HIS  25  -5.727  -0.818  -1.652
  213    H    GLU  26           H        GLU  26  -0.458  -0.272   0.911
  214    HA   GLU  26           HA       GLU  26  -1.211  -1.719  -1.458
  215   1HB   GLU  26          1HB       GLU  26  -0.163   0.546  -1.510
  216   2HB   GLU  26          2HB       GLU  26   1.323  -0.164  -0.895
  217   1HG   GLU  26          1HG       GLU  26   1.539   0.120  -3.248
  218   2HG   GLU  26          2HG       GLU  26   1.408  -1.604  -2.905
  219    H    LEU  27           H        LEU  27   0.802  -2.288   1.291
  220    HA   LEU  27           HA       LEU  27   2.265  -4.431  -0.085
  221   1HB   LEU  27          1HB       LEU  27   2.610  -3.106   2.596
  222   2HB   LEU  27          2HB       LEU  27   3.473  -4.568   2.160
  223   1HD1  LEU  27          1HD1      LEU  27   3.272  -1.912  -0.639
  224   2HD1  LEU  27          2HD1      LEU  27   4.223  -0.821   0.369
  225   3HD1  LEU  27          3HD1      LEU  27   2.609  -1.317   0.884
  226   1HD2  LEU  27          1HD2      LEU  27   5.777  -3.211   2.390
  227   2HD2  LEU  27          2HD2      LEU  27   4.630  -2.029   3.018
  228   3HD2  LEU  27          3HD2      LEU  27   5.735  -1.581   1.719
  229    H    LEU  28           H        LEU  28   0.884  -4.199   3.205
  230    HA   LEU  28           HA       LEU  28  -0.060  -6.968   2.907
  231   1HB   LEU  28          1HB       LEU  28   0.972  -5.369   5.174
  232   2HB   LEU  28          2HB       LEU  28  -0.334  -6.477   5.547
  233    HG   LEU  28           HG       LEU  28   1.181  -8.216   4.280
  234   1HD1  LEU  28          1HD1      LEU  28   2.843  -6.576   3.548
  235   2HD1  LEU  28          2HD1      LEU  28   3.555  -7.800   4.599
  236   3HD1  LEU  28          3HD1      LEU  28   3.203  -6.192   5.232
  237   1HD2  LEU  28          1HD2      LEU  28   1.845  -7.252   7.059
  238   2HD2  LEU  28          2HD2      LEU  28   2.153  -8.860   6.401
  239   3HD2  LEU  28          3HD2      LEU  28   0.495  -8.309   6.643
  240    H    GLY  29           H        GLY  29  -1.094  -4.040   4.694
  241   1HA   GLY  29          1HA       GLY  29  -3.218  -2.987   4.301
  242   2HA   GLY  29          2HA       GLY  29  -3.840  -4.533   3.746
  243    H    GLU  30           H        GLU  30  -4.311  -2.430   6.065
  244    HA   GLU  30           HA       GLU  30  -4.100  -3.972   8.449
  245   1HB   GLU  30          1HB       GLU  30  -5.542  -2.199   9.448
  246   2HB   GLU  30          2HB       GLU  30  -4.118  -1.576   8.629
  247   1HG   GLU  30          1HG       GLU  30  -6.524  -1.735   6.955
  248   2HG   GLU  30          2HG       GLU  30  -6.637  -0.622   8.317
  249    H    GLU  31           H        GLU  31  -5.115  -5.922   8.318
  250    HA   GLU  31           HA       GLU  31  -7.978  -5.943   7.657
  251   1HB   GLU  31          1HB       GLU  31  -5.985  -8.213   7.780
  252   2HB   GLU  31          2HB       GLU  31  -7.695  -8.400   7.419
  253   1HG   GLU  31          1HG       GLU  31  -5.598  -7.020   5.771
  254   2HG   GLU  31          2HG       GLU  31  -6.545  -8.448   5.358
  255    H    ARG  32           H        ARG  32  -9.368  -5.994   9.280
  256    HA   ARG  32           HA       ARG  32  -8.464  -6.880  11.923
  257   1HB   ARG  32          1HB       ARG  32  -9.656  -4.627  11.454
  258   2HB   ARG  32          2HB       ARG  32 -11.121  -5.594  11.346
  259   1HG   ARG  32          1HG       ARG  32 -10.535  -6.485  13.644
  260   2HG   ARG  32          2HG       ARG  32  -9.325  -5.203  13.719
  261   1HD   ARG  32          1HD       ARG  32 -12.228  -4.681  13.127
  262   2HD   ARG  32          2HD       ARG  32 -11.576  -4.691  14.764
  263    HE   ARG  32           HE       ARG  32  -9.960  -2.958  13.427
  264   1HH1  ARG  32          1HH1      ARG  32 -13.424  -3.178  13.889
  265   2HH1  ARG  32          2HH1      ARG  32 -13.669  -1.469  13.785
  266   1HH2  ARG  32          1HH2      ARG  32 -10.290  -0.707  13.288
  267   2HH2  ARG  32          2HH2      ARG  32 -11.891  -0.064  13.443
  268    H    ARG  33           H        ARG  33 -11.275  -7.286   9.757
  269    HA   ARG  33           HA       ARG  33 -11.496 -10.066  10.608
  270   1HB   ARG  33          1HB       ARG  33 -13.074  -8.225  11.851
  271   2HB   ARG  33          2HB       ARG  33 -14.098  -8.682  10.498
  272   1HG   ARG  33          1HG       ARG  33 -13.647 -11.095  11.202
  273   2HG   ARG  33          2HG       ARG  33 -13.037 -10.405  12.707
  274   1HD   ARG  33          1HD       ARG  33 -15.739  -9.661  11.637
  275   2HD   ARG  33          2HD       ARG  33 -15.508 -11.125  12.592
  276    HE   ARG  33           HE       ARG  33 -14.425  -8.795  13.856
  277   1HH1  ARG  33          1HH1      ARG  33 -17.372 -10.615  13.337
  278   2HH1  ARG  33          2HH1      ARG  33 -18.133 -10.026  14.776
  279   1HH2  ARG  33          1HH2      ARG  33 -15.433  -8.026  15.750
  280   2HH2  ARG  33          2HH2      ARG  33 -17.033  -8.556  16.146
  Start of MODEL   26
    1    H    TYR   1           H        TYR   1 -13.391  15.212  -0.525
    2    HA   TYR   1           HA       TYR   1 -12.501  13.240   0.653
    3   1HB   TYR   1          1HB       TYR   1 -15.357  12.275   0.545
    4   2HB   TYR   1          2HB       TYR   1 -13.988  11.549   1.377
    5    HD1  TYR   1           HD1      TYR   1 -12.997  12.895   3.360
    6    HD2  TYR   1           HD2      TYR   1 -16.850  13.620   1.713
    7    HE1  TYR   1           HE1      TYR   1 -13.667  14.022   5.440
    8    HE2  TYR   1           HE2      TYR   1 -17.532  14.749   3.787
    9    HH   TYR   1           HH       TYR   1 -15.840  16.025   5.831
   10    H    LYS   2           H        LYS   2 -11.603  13.412  -1.461
   11    HA   LYS   2           HA       LYS   2 -12.854  11.586  -3.363
   12   1HB   LYS   2          1HB       LYS   2 -12.375  13.177  -5.247
   13   2HB   LYS   2          2HB       LYS   2 -13.674  13.673  -4.173
   14   1HG   LYS   2          1HG       LYS   2 -12.369  15.350  -3.183
   15   2HG   LYS   2          2HG       LYS   2 -10.869  14.683  -3.833
   16   1HD   LYS   2          1HD       LYS   2 -11.933  15.157  -6.141
   17   2HD   LYS   2          2HD       LYS   2 -13.028  16.212  -5.246
   18   1HE   LYS   2          1HE       LYS   2 -10.050  16.428  -4.946
   19   2HE   LYS   2          2HE       LYS   2 -10.902  17.242  -6.258
   20   1HZ   LYS   2          1HZ       LYS   2 -12.274  18.363  -4.584
   21   2HZ   LYS   2          2HZ       LYS   2 -10.632  18.723  -4.397
   22   3HZ   LYS   2          3HZ       LYS   2 -11.380  17.626  -3.350
   23    H    PHE   3           H        PHE   3 -10.779  10.837  -1.864
   24    HA   PHE   3           HA       PHE   3  -8.588  10.721  -3.807
   25   1HB   PHE   3          1HB       PHE   3  -8.294  12.373  -1.731
   26   2HB   PHE   3          2HB       PHE   3  -7.836  10.877  -0.926
   27    HD1  PHE   3           HD1      PHE   3  -6.908  13.347  -3.443
   28    HD2  PHE   3           HD2      PHE   3  -5.831   9.677  -1.594
   29    HE1  PHE   3           HE1      PHE   3  -4.640  13.545  -4.371
   30    HE2  PHE   3           HE2      PHE   3  -3.560   9.857  -2.512
   31    HZ   PHE   3           HZ       PHE   3  -2.961  11.801  -3.910
   32    H    ALA   4           H        ALA   4  -8.447   8.640  -4.329
   33    HA   ALA   4           HA       ALA   4  -8.739   6.638  -2.217
   34   1HB   ALA   4          1HB       ALA   4 -10.595   6.493  -3.751
   35   2HB   ALA   4          2HB       ALA   4  -9.556   5.083  -3.949
   36   3HB   ALA   4          3HB       ALA   4  -9.490   6.398  -5.122
   37    H    CYS   5           H        CYS   5  -7.296   4.941  -2.126
   38    HA   CYS   5           HA       CYS   5  -4.674   5.404  -3.014
   39   1HB   CYS   5          1HB       CYS   5  -5.810   2.733  -2.173
   40   2HB   CYS   5          2HB       CYS   5  -4.136   3.263  -2.070
   41    HG   CYS   5           HG       CYS   5  -4.863   4.894  -0.145
   42    HA   PRO   6           HA       PRO   6  -4.451   3.759  -7.103
   43   1HB   PRO   6          1HB       PRO   6  -1.978   2.330  -6.346
   44   2HB   PRO   6          2HB       PRO   6  -2.221   3.589  -7.560
   45   1HG   PRO   6          1HG       PRO   6  -0.933   4.093  -5.269
   46   2HG   PRO   6          2HG       PRO   6  -1.990   5.300  -6.024
   47   1HD   PRO   6          1HD       PRO   6  -2.527   3.507  -3.688
   48   2HD   PRO   6          2HD       PRO   6  -2.964   5.212  -3.925
   49    H    GLU   7           H        GLU   7  -4.237   1.624  -4.351
   50    HA   GLU   7           HA       GLU   7  -4.742  -0.731  -6.008
   51   1HB   GLU   7          1HB       GLU   7  -3.036  -0.564  -4.028
   52   2HB   GLU   7          2HB       GLU   7  -4.457  -0.828  -3.031
   53   1HG   GLU   7          1HG       GLU   7  -3.611  -2.654  -5.264
   54   2HG   GLU   7          2HG       GLU   7  -3.165  -2.882  -3.575
   55    H    CYS   8           H        CYS   8  -6.130   0.757  -3.034
   56    HA   CYS   8           HA       CYS   8  -8.618  -0.681  -3.609
   57   1HB   CYS   8          1HB       CYS   8  -9.301  -0.219  -1.347
   58   2HB   CYS   8          2HB       CYS   8  -7.718  -0.941  -1.351
   59    HG   CYS   8           HG       CYS   8  -7.531   0.977   0.306
   60    HA   PRO   9           HA       PRO   9 -10.940   2.879  -4.602
   61   1HB   PRO   9          1HB       PRO   9 -13.396   1.988  -4.064
   62   2HB   PRO   9          2HB       PRO   9 -12.399   1.217  -5.303
   63   1HG   PRO   9          1HG       PRO   9 -12.979   0.324  -2.511
   64   2HG   PRO   9          2HG       PRO   9 -12.834  -0.642  -3.990
   65   1HD   PRO   9          1HD       PRO   9 -10.820  -0.287  -2.078
   66   2HD   PRO   9          2HD       PRO   9 -10.578  -0.865  -3.731
   67    H    LYS  10           H        LYS  10 -10.457   2.074  -1.375
   68    HA   LYS  10           HA       LYS  10 -12.406   3.414   0.051
   69   1HB   LYS  10          1HB       LYS  10  -9.589   2.640   0.558
   70   2HB   LYS  10          2HB       LYS  10 -10.263   3.874   1.615
   71   1HG   LYS  10          1HG       LYS  10 -10.806   2.014   2.801
   72   2HG   LYS  10          2HG       LYS  10 -12.248   2.144   1.793
   73   1HD   LYS  10          1HD       LYS  10 -10.024   0.612   0.618
   74   2HD   LYS  10          2HD       LYS  10 -10.758  -0.108   2.052
   75   1HE   LYS  10          1HE       LYS  10 -12.438   0.892  -0.224
   76   2HE   LYS  10          2HE       LYS  10 -11.719  -0.718  -0.257
   77   1HZ   LYS  10          1HZ       LYS  10 -12.847  -1.174   1.870
   78   2HZ   LYS  10          2HZ       LYS  10 -13.932  -0.850   0.614
   79   3HZ   LYS  10          3HZ       LYS  10 -13.610   0.334   1.777
   80    H    ARG  11           H        ARG  11 -12.974   5.454   0.271
   81    HA   ARG  11           HA       ARG  11 -11.260   7.541  -0.855
   82   1HB   ARG  11          1HB       ARG  11 -13.308   8.980  -0.647
   83   2HB   ARG  11          2HB       ARG  11 -13.487   7.608  -1.728
   84   1HG   ARG  11          1HG       ARG  11 -14.304   6.997   0.994
   85   2HG   ARG  11          2HG       ARG  11 -15.212   8.332   0.287
   86   1HD   ARG  11          1HD       ARG  11 -14.864   6.138  -1.580
   87   2HD   ARG  11          2HD       ARG  11 -15.668   5.623  -0.099
   88    HE   ARG  11           HE       ARG  11 -16.791   8.031  -1.143
   89   1HH1  ARG  11          1HH1      ARG  11 -16.791   4.548  -1.525
   90   2HH1  ARG  11          2HH1      ARG  11 -18.380   4.502  -2.209
   91   1HH2  ARG  11          1HH2      ARG  11 -18.884   7.961  -2.045
   92   2HH2  ARG  11          2HH2      ARG  11 -19.569   6.438  -2.506
   93    H    PHE  12           H        PHE  12 -10.002   8.650   0.462
   94    HA   PHE  12           HA       PHE  12 -10.603   8.710   3.327
   95   1HB   PHE  12          1HB       PHE  12  -8.097   9.563   1.865
   96   2HB   PHE  12          2HB       PHE  12  -8.292   9.501   3.606
   97    HD1  PHE  12           HD1      PHE  12  -7.073   7.822   4.546
   98    HD2  PHE  12           HD2      PHE  12  -8.969   7.091   0.806
   99    HE1  PHE  12           HE1      PHE  12  -6.203   5.523   4.557
  100    HE2  PHE  12           HE2      PHE  12  -8.107   4.789   0.816
  101    HZ   PHE  12           HZ       PHE  12  -6.714   3.995   2.691
  102    H    MET  13           H        MET  13  -9.390  10.979   4.186
  103    HA   MET  13           HA       MET  13 -11.190  13.042   3.176
  104   1HB   MET  13          1HB       MET  13  -9.428  12.967   5.631
  105   2HB   MET  13          2HB       MET  13 -10.491  14.299   5.204
  106   1HG   MET  13          1HG       MET  13 -11.961  13.267   6.527
  107   2HG   MET  13          2HG       MET  13 -12.223  12.216   5.137
  108   1HE   MET  13          1HE       MET  13 -10.362  12.886   8.328
  109   2HE   MET  13          2HE       MET  13 -10.051  11.299   9.030
  110   3HE   MET  13          3HE       MET  13 -11.699  11.923   8.958
  111    H    ARG  14           H        ARG  14  -7.726  12.435   3.600
  112    HA   ARG  14           HA       ARG  14  -7.179  14.653   1.747
  113   1HB   ARG  14          1HB       ARG  14  -5.743  14.104   4.351
  114   2HB   ARG  14          2HB       ARG  14  -5.130  15.182   3.106
  115   1HG   ARG  14          1HG       ARG  14  -6.166  16.743   4.345
  116   2HG   ARG  14          2HG       ARG  14  -7.586  16.221   3.436
  117   1HD   ARG  14          1HD       ARG  14  -7.893  14.502   5.329
  118   2HD   ARG  14          2HD       ARG  14  -6.774  15.517   6.237
  119    HE   ARG  14           HE       ARG  14  -9.513  16.118   5.543
  120   1HH1  ARG  14          1HH1      ARG  14  -6.437  17.430   6.592
  121   2HH1  ARG  14          2HH1      ARG  14  -7.144  18.850   7.286
  122   1HH2  ARG  14          1HH2      ARG  14 -10.433  17.990   6.459
  123   2HH2  ARG  14          2HH2      ARG  14  -9.410  19.168   7.212
  124    H    SER  15           H        SER  15  -5.159  14.473   0.598
  125    HA   SER  15           HA       SER  15  -4.646  11.954  -0.459
  126   1HB   SER  15          1HB       SER  15  -2.625  12.989  -1.452
  127   2HB   SER  15          2HB       SER  15  -4.050  14.009  -1.633
  128    HG   SER  15           HG       SER  15  -3.202  15.449  -0.317
  129    H    ASP  16           H        ASP  16  -2.963  13.702   2.126
  130    HA   ASP  16           HA       ASP  16  -0.843  11.884   2.474
  131   1HB   ASP  16          1HB       ASP  16  -0.825  12.877   4.872
  132   2HB   ASP  16          2HB       ASP  16  -0.472  13.931   3.509
  133    H    HIS  17           H        HIS  17  -4.134  11.913   3.746
  134    HA   HIS  17           HA       HIS  17  -3.901  10.014   5.771
  135   1HB   HIS  17          1HB       HIS  17  -6.173  10.685   3.904
  136   2HB   HIS  17          2HB       HIS  17  -6.334   9.447   5.140
  137    HD1  HIS  17           HD1      HIS  17  -8.249  11.101   6.052
  138    HD2  HIS  17           HD2      HIS  17  -4.336  12.449   6.401
  139    HE1  HIS  17           HE1      HIS  17  -8.331  12.977   7.724
  140    HE2  HIS  17           HE2      HIS  17  -5.968  13.839   7.846
  141    H    LEU  18           H        LEU  18  -3.933   9.635   2.300
  142    HA   LEU  18           HA       LEU  18  -4.159   6.736   2.435
  143   1HB   LEU  18          1HB       LEU  18  -3.673   8.565   0.097
  144   2HB   LEU  18          2HB       LEU  18  -3.948   6.841  -0.008
  145    HG   LEU  18           HG       LEU  18  -6.204   7.353   1.128
  146   1HD1  LEU  18          1HD1      LEU  18  -6.941   9.698   0.252
  147   2HD1  LEU  18          2HD1      LEU  18  -5.221  10.066   0.376
  148   3HD1  LEU  18          3HD1      LEU  18  -6.117   9.552   1.805
  149   1HD2  LEU  18          1HD2      LEU  18  -5.293   7.659  -1.640
  150   2HD2  LEU  18          2HD2      LEU  18  -6.895   8.308  -1.293
  151   3HD2  LEU  18          3HD2      LEU  18  -6.541   6.613  -0.964
  152    H    SER  19           H        SER  19  -1.847   9.179   1.295
  153    HA   SER  19           HA       SER  19   0.227   7.703   0.432
  154   1HB   SER  19          1HB       SER  19   0.330  10.131   0.473
  155   2HB   SER  19          2HB       SER  19   0.418  10.133   2.235
  156    HG   SER  19           HG       SER  19   2.483  10.373   1.344
  157    H    LYS  20           H        LYS  20  -0.613   8.155   3.834
  158    HA   LYS  20           HA       LYS  20   1.659   6.601   4.745
  159   1HB   LYS  20          1HB       LYS  20   0.685   8.528   6.040
  160   2HB   LYS  20          2HB       LYS  20  -0.739   7.539   6.332
  161   1HG   LYS  20          1HG       LYS  20   1.454   5.971   7.101
  162   2HG   LYS  20          2HG       LYS  20   1.762   7.590   7.731
  163   1HD   LYS  20          1HD       LYS  20   0.527   6.677   9.445
  164   2HD   LYS  20          2HD       LYS  20  -0.741   7.446   8.489
  165   1HE   LYS  20          1HE       LYS  20  -0.118   4.703   7.672
  166   2HE   LYS  20          2HE       LYS  20  -0.741   4.839   9.315
  167   1HZ   LYS  20          1HZ       LYS  20  -2.684   5.935   8.508
  168   2HZ   LYS  20          2HZ       LYS  20  -2.477   4.524   7.599
  169   3HZ   LYS  20          3HZ       LYS  20  -2.064   6.025   6.936
  170    H    HIS  21           H        HIS  21  -1.781   6.157   4.157
  171    HA   HIS  21           HA       HIS  21  -1.922   3.565   5.379
  172   1HB   HIS  21          1HB       HIS  21  -3.996   4.535   5.428
  173   2HB   HIS  21          2HB       HIS  21  -3.774   5.347   3.887
  174    HD1  HIS  21           HD1      HIS  21  -5.749   2.761   5.330
  175    HD2  HIS  21           HD2      HIS  21  -3.820   3.265   1.694
  176    HE1  HIS  21           HE1      HIS  21  -6.899   1.206   3.696
  177    H    ILE  22           H        ILE  22  -1.265   4.746   2.124
  178    HA   ILE  22           HA       ILE  22  -1.724   2.295   0.797
  179    HB   ILE  22           HB       ILE  22   0.018   3.288  -0.897
  180   1HG1  ILE  22          1HG1      ILE  22  -0.826   5.956  -0.238
  181   2HG1  ILE  22          2HG1      ILE  22   0.056   5.242   1.107
  182   1HG2  ILE  22          1HG2      ILE  22  -2.818   4.033  -0.379
  183   2HG2  ILE  22          2HG2      ILE  22  -2.119   3.103  -1.705
  184   3HG2  ILE  22          3HG2      ILE  22  -1.944   4.857  -1.669
  185   1HD1  ILE  22          1HD1      ILE  22   1.409   6.538  -0.587
  186   2HD1  ILE  22          2HD1      ILE  22   1.118   5.196  -1.691
  187   3HD1  ILE  22          3HD1      ILE  22   1.988   4.923  -0.181
  188    H    THR  23           H        THR  23   1.238   3.677   2.134
  189    HA   THR  23           HA       THR  23   2.978   1.695   1.254
  190    HB   THR  23           HB       THR  23   3.181   3.200   3.872
  191    HG1  THR  23           HG1      THR  23   3.947   3.948   1.248
  192   1HG2  THR  23          1HG2      THR  23   4.895   1.590   3.859
  193   2HG2  THR  23          2HG2      THR  23   5.643   3.100   3.342
  194   3HG2  THR  23          3HG2      THR  23   5.243   1.862   2.152
  195    H    LEU  24           H        LEU  24   0.558   1.478   3.699
  196    HA   LEU  24           HA       LEU  24   1.701  -1.052   4.680
  197   1HB   LEU  24          1HB       LEU  24   0.029  -0.859   6.511
  198   2HB   LEU  24          2HB       LEU  24   1.193   0.455   6.478
  199    HG   LEU  24           HG       LEU  24  -0.779   1.489   4.959
  200   1HD1  LEU  24          1HD1      LEU  24  -2.497   0.533   7.110
  201   2HD1  LEU  24          2HD1      LEU  24  -2.020  -0.720   5.965
  202   3HD1  LEU  24          3HD1      LEU  24  -2.831   0.738   5.389
  203   1HD2  LEU  24          1HD2      LEU  24  -1.336   2.862   6.871
  204   2HD2  LEU  24          2HD2      LEU  24   0.401   2.559   6.837
  205   3HD2  LEU  24          3HD2      LEU  24  -0.628   1.672   7.963
  206    H    HIS  25           H        HIS  25  -1.243   0.414   3.359
  207    HA   HIS  25           HA       HIS  25  -2.703  -2.027   3.296
  208   1HB   HIS  25          1HB       HIS  25  -4.410  -0.602   3.047
  209   2HB   HIS  25          2HB       HIS  25  -3.292   0.731   2.878
  210    HD1  HIS  25           HD1      HIS  25  -5.182  -1.769   0.747
  211    HD2  HIS  25           HD2      HIS  25  -3.228   1.888   0.424
  212    HE1  HIS  25           HE1      HIS  25  -5.714  -0.876  -1.556
  213    H    GLU  26           H        GLU  26  -0.567  -0.375   1.056
  214    HA   GLU  26           HA       GLU  26  -1.301  -2.094  -1.158
  215   1HB   GLU  26          1HB       GLU  26  -0.551   0.205  -1.589
  216   2HB   GLU  26          2HB       GLU  26   0.996  -0.147  -0.834
  217   1HG   GLU  26          1HG       GLU  26   1.318  -0.196  -3.177
  218   2HG   GLU  26          2HG       GLU  26   1.388  -1.859  -2.603
  219    H    LEU  27           H        LEU  27   0.753  -2.258   1.586
  220    HA   LEU  27           HA       LEU  27   2.437  -4.313   0.319
  221   1HB   LEU  27          1HB       LEU  27   2.719  -2.752   2.878
  222   2HB   LEU  27          2HB       LEU  27   3.748  -4.116   2.483
  223   1HD1  LEU  27          1HD1      LEU  27   5.680  -2.519  -0.145
  224   2HD1  LEU  27          2HD1      LEU  27   4.336  -3.622  -0.441
  225   3HD1  LEU  27          3HD1      LEU  27   5.480  -3.956   0.857
  226   1HD2  LEU  27          1HD2      LEU  27   2.393  -1.097   1.087
  227   2HD2  LEU  27          2HD2      LEU  27   3.072  -1.648  -0.445
  228   3HD2  LEU  27          3HD2      LEU  27   3.902  -0.404   0.490
  229    H    LEU  28           H        LEU  28   0.888  -3.880   3.519
  230    HA   LEU  28           HA       LEU  28   0.573  -6.787   3.693
  231   1HB   LEU  28          1HB       LEU  28   0.262  -4.621   5.774
  232   2HB   LEU  28          2HB       LEU  28  -0.014  -6.327   6.074
  233    HG   LEU  28           HG       LEU  28   2.496  -6.445   5.091
  234   1HD1  LEU  28          1HD1      LEU  28   2.751  -4.070   4.799
  235   2HD1  LEU  28          2HD1      LEU  28   3.786  -4.603   6.123
  236   3HD1  LEU  28          3HD1      LEU  28   2.269  -3.774   6.469
  237   1HD2  LEU  28          1HD2      LEU  28   1.756  -5.838   7.951
  238   2HD2  LEU  28          2HD2      LEU  28   3.243  -6.612   7.403
  239   3HD2  LEU  28          3HD2      LEU  28   1.693  -7.425   7.184
  240    H    GLY  29           H        GLY  29  -1.410  -3.917   4.508
  241   1HA   GLY  29          1HA       GLY  29  -3.592  -3.877   3.203
  242   2HA   GLY  29          2HA       GLY  29  -3.804  -5.507   3.824
  243    H    GLU  30           H        GLU  30  -5.338  -5.490   5.330
  244    HA   GLU  30           HA       GLU  30  -5.028  -3.898   7.698
  245   1HB   GLU  30          1HB       GLU  30  -6.357  -2.585   5.754
  246   2HB   GLU  30          2HB       GLU  30  -7.696  -3.457   6.486
  247   1HG   GLU  30          1HG       GLU  30  -5.940  -2.148   8.420
  248   2HG   GLU  30          2HG       GLU  30  -6.740  -1.040   7.307
  249    H    GLU  31           H        GLU  31  -6.387  -4.552   9.417
  250    HA   GLU  31           HA       GLU  31  -7.004  -7.287   9.494
  251   1HB   GLU  31          1HB       GLU  31  -6.495  -6.144  11.533
  252   2HB   GLU  31          2HB       GLU  31  -7.803  -4.996  11.291
  253   1HG   GLU  31          1HG       GLU  31  -8.633  -7.810  11.417
  254   2HG   GLU  31          2HG       GLU  31  -7.927  -7.168  12.900
  255    H    ARG  32           H        ARG  32  -9.194  -4.470   9.341
  256    HA   ARG  32           HA       ARG  32 -11.584  -5.952   9.201
  257   1HB   ARG  32          1HB       ARG  32 -10.801  -3.139   8.599
  258   2HB   ARG  32          2HB       ARG  32 -12.347  -3.710   7.992
  259   1HG   ARG  32          1HG       ARG  32 -13.013  -2.880   9.997
  260   2HG   ARG  32          2HG       ARG  32 -12.625  -4.530  10.487
  261   1HD   ARG  32          1HD       ARG  32 -11.627  -3.120  12.097
  262   2HD   ARG  32          2HD       ARG  32 -10.316  -3.682  11.062
  263    HE   ARG  32           HE       ARG  32 -11.316  -1.217  10.107
  264   1HH1  ARG  32          1HH1      ARG  32  -9.396  -2.545  12.717
  265   2HH1  ARG  32          2HH1      ARG  32  -8.486  -1.091  12.950
  266   1HH2  ARG  32          1HH2      ARG  32 -10.113   0.694  10.417
  267   2HH2  ARG  32          2HH2      ARG  32  -8.893   0.748  11.645
  268    H    ARG  33           H        ARG  33 -12.390  -7.159   7.640
  269    HA   ARG  33           HA       ARG  33 -12.962  -7.962   5.595
  270   1HB   ARG  33          1HB       ARG  33 -12.352  -5.235   5.031
  271   2HB   ARG  33          2HB       ARG  33 -11.661  -6.220   3.750
  272   1HG   ARG  33          1HG       ARG  33 -14.537  -6.190   4.643
  273   2HG   ARG  33          2HG       ARG  33 -13.886  -5.519   3.147
  274   1HD   ARG  33          1HD       ARG  33 -13.835  -8.434   3.926
  275   2HD   ARG  33          2HD       ARG  33 -14.980  -7.699   2.807
  276    HE   ARG  33           HE       ARG  33 -12.630  -7.057   1.690
  277   1HH1  ARG  33          1HH1      ARG  33 -13.855 -10.111   2.893
  278   2HH1  ARG  33          2HH1      ARG  33 -12.932 -11.058   1.776
  279   1HH2  ARG  33          1HH2      ARG  33 -11.420  -8.313   0.222
  280   2HH2  ARG  33          2HH2      ARG  33 -11.550 -10.040   0.261
  Start of MODEL   27
    1    H    TYR   1           H        TYR   1 -13.455  15.265   0.135
    2    HA   TYR   1           HA       TYR   1 -12.526  13.150   0.975
    3   1HB   TYR   1          1HB       TYR   1 -15.363  12.161   0.675
    4   2HB   TYR   1          2HB       TYR   1 -13.981  11.307   1.347
    5    HD1  TYR   1           HD1      TYR   1 -13.124  11.944   3.603
    6    HD2  TYR   1           HD2      TYR   1 -16.727  13.564   2.024
    7    HE1  TYR   1           HE1      TYR   1 -13.790  12.649   5.862
    8    HE2  TYR   1           HE2      TYR   1 -17.401  14.277   4.278
    9    HH   TYR   1           HH       TYR   1 -15.825  14.839   6.581
   10    H    LYS   2           H        LYS   2 -11.493  13.344  -0.987
   11    HA   LYS   2           HA       LYS   2 -12.751  11.980  -3.218
   12   1HB   LYS   2          1HB       LYS   2 -12.878  14.749  -3.134
   13   2HB   LYS   2          2HB       LYS   2 -11.493  14.435  -4.172
   14   1HG   LYS   2          1HG       LYS   2 -13.313  12.681  -5.169
   15   2HG   LYS   2          2HG       LYS   2 -14.349  14.013  -4.654
   16   1HD   LYS   2          1HD       LYS   2 -13.820  14.638  -6.813
   17   2HD   LYS   2          2HD       LYS   2 -12.589  15.494  -5.882
   18   1HE   LYS   2          1HE       LYS   2 -11.414  14.516  -7.657
   19   2HE   LYS   2          2HE       LYS   2 -11.110  13.453  -6.285
   20   1HZ   LYS   2          1HZ       LYS   2 -12.694  11.898  -7.105
   21   2HZ   LYS   2          2HZ       LYS   2 -11.663  12.286  -8.388
   22   3HZ   LYS   2          3HZ       LYS   2 -13.214  12.956  -8.318
   23    H    PHE   3           H        PHE   3 -10.795  10.874  -1.841
   24    HA   PHE   3           HA       PHE   3  -8.584  10.863  -3.724
   25   1HB   PHE   3          1HB       PHE   3  -8.217  12.484  -1.637
   26   2HB   PHE   3          2HB       PHE   3  -7.772  10.972  -0.856
   27    HD1  PHE   3           HD1      PHE   3  -6.854  13.436  -3.389
   28    HD2  PHE   3           HD2      PHE   3  -5.796   9.755  -1.549
   29    HE1  PHE   3           HE1      PHE   3  -4.598  13.601  -4.358
   30    HE2  PHE   3           HE2      PHE   3  -3.539   9.903  -2.509
   31    HZ   PHE   3           HZ       PHE   3  -2.937  11.834  -3.921
   32    H    ALA   4           H        ALA   4  -8.531   8.786  -4.286
   33    HA   ALA   4           HA       ALA   4  -8.827   6.756  -2.202
   34   1HB   ALA   4          1HB       ALA   4  -9.664   5.241  -3.930
   35   2HB   ALA   4          2HB       ALA   4  -9.501   6.525  -5.127
   36   3HB   ALA   4          3HB       ALA   4 -10.655   6.695  -3.805
   37    H    CYS   5           H        CYS   5  -7.434   4.998  -2.162
   38    HA   CYS   5           HA       CYS   5  -4.782   5.466  -2.994
   39   1HB   CYS   5          1HB       CYS   5  -5.997   2.826  -2.158
   40   2HB   CYS   5          2HB       CYS   5  -4.293   3.262  -2.114
   41    HG   CYS   5           HG       CYS   5  -6.040   3.578   0.161
   42    HA   PRO   6           HA       PRO   6  -4.650   3.796  -7.084
   43   1HB   PRO   6          1HB       PRO   6  -2.145   2.728  -7.137
   44   2HB   PRO   6          2HB       PRO   6  -2.458   4.465  -7.217
   45   1HG   PRO   6          1HG       PRO   6  -1.640   2.792  -4.877
   46   2HG   PRO   6          2HG       PRO   6  -1.076   4.403  -5.355
   47   1HD   PRO   6          1HD       PRO   6  -2.898   4.012  -3.389
   48   2HD   PRO   6          2HD       PRO   6  -2.895   5.457  -4.420
   49    H    GLU   7           H        GLU   7  -4.329   1.793  -4.295
   50    HA   GLU   7           HA       GLU   7  -4.532  -0.660  -5.884
   51   1HB   GLU   7          1HB       GLU   7  -3.716  -0.082  -3.058
   52   2HB   GLU   7          2HB       GLU   7  -4.254  -1.692  -3.507
   53   1HG   GLU   7          1HG       GLU   7  -1.955  -1.817  -3.713
   54   2HG   GLU   7          2HG       GLU   7  -2.495  -1.541  -5.369
   55    H    CYS   8           H        CYS   8  -6.081   0.887  -3.032
   56    HA   CYS   8           HA       CYS   8  -8.451  -0.776  -3.547
   57   1HB   CYS   8          1HB       CYS   8  -9.147  -0.371  -1.290
   58   2HB   CYS   8          2HB       CYS   8  -7.503  -0.937  -1.284
   59    HG   CYS   8           HG       CYS   8  -7.283   0.990   0.275
   60    HA   PRO   9           HA       PRO   9 -10.992   2.623  -4.558
   61   1HB   PRO   9          1HB       PRO   9 -13.391   1.665  -3.867
   62   2HB   PRO   9          2HB       PRO   9 -12.427   0.900  -5.136
   63   1HG   PRO   9          1HG       PRO   9 -12.838   0.059  -2.300
   64   2HG   PRO   9          2HG       PRO   9 -12.717  -0.938  -3.760
   65   1HD   PRO   9          1HD       PRO   9 -10.642  -0.458  -1.950
   66   2HD   PRO   9          2HD       PRO   9 -10.442  -1.057  -3.599
   67    H    LYS  10           H        LYS  10 -10.420   1.908  -1.301
   68    HA   LYS  10           HA       LYS  10 -12.326   3.277   0.136
   69   1HB   LYS  10          1HB       LYS  10  -9.802   2.140   0.653
   70   2HB   LYS  10          2HB       LYS  10  -9.723   3.788   1.258
   71   1HG   LYS  10          1HG       LYS  10 -10.494   2.658   3.097
   72   2HG   LYS  10          2HG       LYS  10 -12.005   3.201   2.365
   73   1HD   LYS  10          1HD       LYS  10 -11.895   0.901   1.129
   74   2HD   LYS  10          2HD       LYS  10 -10.807   0.463   2.446
   75   1HE   LYS  10          1HE       LYS  10 -12.697   1.437   3.957
   76   2HE   LYS  10          2HE       LYS  10 -13.708   1.175   2.537
   77   1HZ   LYS  10          1HZ       LYS  10 -12.155  -0.867   4.027
   78   2HZ   LYS  10          2HZ       LYS  10 -12.930  -1.168   2.554
   79   3HZ   LYS  10          3HZ       LYS  10 -13.838  -0.744   3.916
   80    H    ARG  11           H        ARG  11 -12.888   5.315   0.398
   81    HA   ARG  11           HA       ARG  11 -11.257   7.399  -0.868
   82   1HB   ARG  11          1HB       ARG  11 -13.340   8.786  -0.717
   83   2HB   ARG  11          2HB       ARG  11 -13.485   7.365  -1.738
   84   1HG   ARG  11          1HG       ARG  11 -14.278   6.722   0.943
   85   2HG   ARG  11          2HG       ARG  11 -15.151   8.145   0.375
   86   1HD   ARG  11          1HD       ARG  11 -16.285   6.987  -1.201
   87   2HD   ARG  11          2HD       ARG  11 -14.929   5.914  -1.544
   88    HE   ARG  11           HE       ARG  11 -16.920   5.585   0.584
   89   1HH1  ARG  11          1HH1      ARG  11 -14.173   4.304  -1.187
   90   2HH1  ARG  11          2HH1      ARG  11 -14.360   2.707  -0.550
   91   1HH2  ARG  11          1HH2      ARG  11 -17.150   3.478   1.411
   92   2HH2  ARG  11          2HH2      ARG  11 -16.046   2.236   0.921
   93    H    PHE  12           H        PHE  12 -10.048   8.622   0.396
   94    HA   PHE  12           HA       PHE  12 -10.669   8.799   3.258
   95   1HB   PHE  12          1HB       PHE  12  -8.144   9.631   1.815
   96   2HB   PHE  12          2HB       PHE  12  -8.372   9.563   3.552
   97    HD1  PHE  12           HD1      PHE  12  -7.214   7.873   4.544
   98    HD2  PHE  12           HD2      PHE  12  -8.911   7.170   0.704
   99    HE1  PHE  12           HE1      PHE  12  -6.322   5.582   4.572
  100    HE2  PHE  12           HE2      PHE  12  -8.028   4.877   0.731
  101    HZ   PHE  12           HZ       PHE  12  -6.722   4.075   2.662
  102    H    MET  13           H        MET  13  -9.486  11.112   4.017
  103    HA   MET  13           HA       MET  13 -11.227  13.126   2.805
  104   1HB   MET  13          1HB       MET  13 -10.905  12.550   5.389
  105   2HB   MET  13          2HB       MET  13  -9.605  13.720   5.228
  106   1HG   MET  13          1HG       MET  13 -12.368  14.353   4.275
  107   2HG   MET  13          2HG       MET  13 -11.927  14.528   5.972
  108   1HE   MET  13          1HE       MET  13 -12.795  16.865   3.466
  109   2HE   MET  13          2HE       MET  13 -11.801  15.815   2.456
  110   3HE   MET  13          3HE       MET  13 -11.330  17.495   2.711
  111    H    ARG  14           H        ARG  14  -7.810  12.535   3.547
  112    HA   ARG  14           HA       ARG  14  -7.111  14.753   1.733
  113   1HB   ARG  14          1HB       ARG  14  -5.689  14.009   4.298
  114   2HB   ARG  14          2HB       ARG  14  -5.144  15.225   3.152
  115   1HG   ARG  14          1HG       ARG  14  -6.242  16.684   4.421
  116   2HG   ARG  14          2HG       ARG  14  -7.713  16.024   3.702
  117   1HD   ARG  14          1HD       ARG  14  -8.015  14.521   5.531
  118   2HD   ARG  14          2HD       ARG  14  -6.431  14.915   6.193
  119    HE   ARG  14           HE       ARG  14  -7.578  17.294   6.289
  120   1HH1  ARG  14          1HH1      ARG  14  -8.913  14.177   7.172
  121   2HH1  ARG  14          2HH1      ARG  14  -9.964  14.834   8.380
  122   1HH2  ARG  14          1HH2      ARG  14  -8.965  18.150   7.881
  123   2HH2  ARG  14          2HH2      ARG  14  -9.994  17.088   8.782
  124    H    SER  15           H        SER  15  -4.987  14.546   0.716
  125    HA   SER  15           HA       SER  15  -4.573  12.010  -0.417
  126   1HB   SER  15          1HB       SER  15  -2.501  13.022  -1.363
  127   2HB   SER  15          2HB       SER  15  -3.926  14.028  -1.600
  128    HG   SER  15           HG       SER  15  -3.109  15.503  -0.316
  129    H    ASP  16           H        ASP  16  -2.857  13.718   2.183
  130    HA   ASP  16           HA       ASP  16  -0.787  11.845   2.533
  131   1HB   ASP  16          1HB       ASP  16  -0.702  12.824   4.908
  132   2HB   ASP  16          2HB       ASP  16  -0.423  13.920   3.560
  133    H    HIS  17           H        HIS  17  -4.087  11.941   3.755
  134    HA   HIS  17           HA       HIS  17  -3.942  10.044   5.787
  135   1HB   HIS  17          1HB       HIS  17  -6.100  10.955   3.935
  136   2HB   HIS  17          2HB       HIS  17  -6.380   9.492   4.866
  137    HD1  HIS  17           HD1      HIS  17  -8.193  10.543   6.326
  138    HD2  HIS  17           HD2      HIS  17  -4.554  12.538   6.510
  139    HE1  HIS  17           HE1      HIS  17  -8.397  12.137   8.260
  140    HE2  HIS  17           HE2      HIS  17  -6.222  13.408   8.283
  141    H    LEU  18           H        LEU  18  -3.858   9.659   2.320
  142    HA   LEU  18           HA       LEU  18  -4.146   6.764   2.455
  143   1HB   LEU  18          1HB       LEU  18  -3.618   8.604   0.134
  144   2HB   LEU  18          2HB       LEU  18  -3.859   6.875   0.005
  145    HG   LEU  18           HG       LEU  18  -6.149   7.309   1.078
  146   1HD1  LEU  18          1HD1      LEU  18  -6.921   9.668   0.277
  147   2HD1  LEU  18          2HD1      LEU  18  -5.213  10.071   0.454
  148   3HD1  LEU  18          3HD1      LEU  18  -6.129   9.481   1.841
  149   1HD2  LEU  18          1HD2      LEU  18  -6.823   8.327  -1.313
  150   2HD2  LEU  18          2HD2      LEU  18  -6.396   6.636  -1.053
  151   3HD2  LEU  18          3HD2      LEU  18  -5.186   7.770  -1.658
  152    H    SER  19           H        SER  19  -1.778   9.160   1.322
  153    HA   SER  19           HA       SER  19   0.280   7.655   0.496
  154   1HB   SER  19          1HB       SER  19   0.481  10.050   0.506
  155   2HB   SER  19          2HB       SER  19   0.429  10.107   2.268
  156    HG   SER  19           HG       SER  19   2.484   9.627   2.339
  157    H    LYS  20           H        LYS  20  -0.540   8.146   3.910
  158    HA   LYS  20           HA       LYS  20   1.691   6.540   4.816
  159   1HB   LYS  20          1HB       LYS  20   0.535   8.524   6.048
  160   2HB   LYS  20          2HB       LYS  20  -0.651   7.318   6.530
  161   1HG   LYS  20          1HG       LYS  20   0.937   6.091   7.753
  162   2HG   LYS  20          2HG       LYS  20   2.289   6.945   7.009
  163   1HD   LYS  20          1HD       LYS  20   2.210   8.566   8.540
  164   2HD   LYS  20          2HD       LYS  20   0.471   8.773   8.328
  165   1HE   LYS  20          1HE       LYS  20   0.570   8.108  10.526
  166   2HE   LYS  20          2HE       LYS  20   0.340   6.559   9.715
  167   1HZ   LYS  20          1HZ       LYS  20   2.946   7.673  10.611
  168   2HZ   LYS  20          2HZ       LYS  20   2.725   6.183   9.840
  169   3HZ   LYS  20          3HZ       LYS  20   2.081   6.439  11.382
  170    H    HIS  21           H        HIS  21  -1.730   6.120   4.161
  171    HA   HIS  21           HA       HIS  21  -1.886   3.527   5.410
  172   1HB   HIS  21          1HB       HIS  21  -3.960   4.484   5.508
  173   2HB   HIS  21          2HB       HIS  21  -3.753   5.354   3.997
  174    HD1  HIS  21           HD1      HIS  21  -5.831   2.845   5.329
  175    HD2  HIS  21           HD2      HIS  21  -3.747   3.236   1.766
  176    HE1  HIS  21           HE1      HIS  21  -6.986   1.329   3.663
  177    H    ILE  22           H        ILE  22  -1.375   4.739   2.123
  178    HA   ILE  22           HA       ILE  22  -1.853   2.312   0.788
  179    HB   ILE  22           HB       ILE  22  -0.178   3.298  -0.953
  180   1HG1  ILE  22          1HG1      ILE  22  -0.819   5.988  -0.265
  181   2HG1  ILE  22          2HG1      ILE  22  -0.025   5.231   1.111
  182   1HG2  ILE  22          1HG2      ILE  22  -2.078   4.948  -1.630
  183   2HG2  ILE  22          2HG2      ILE  22  -2.936   4.220  -0.271
  184   3HG2  ILE  22          3HG2      ILE  22  -2.388   3.211  -1.610
  185   1HD1  ILE  22          1HD1      ILE  22   1.584   6.333  -0.326
  186   2HD1  ILE  22          2HD1      ILE  22   1.053   5.351  -1.690
  187   3HD1  ILE  22          3HD1      ILE  22   1.847   4.589  -0.313
  188    H    THR  23           H        THR  23   1.181   3.651   2.007
  189    HA   THR  23           HA       THR  23   2.879   1.685   1.059
  190    HB   THR  23           HB       THR  23   3.099   3.166   3.690
  191    HG1  THR  23           HG1      THR  23   3.213   4.776   2.334
  192   1HG2  THR  23          1HG2      THR  23   5.159   1.715   2.059
  193   2HG2  THR  23          2HG2      THR  23   4.743   1.484   3.757
  194   3HG2  THR  23          3HG2      THR  23   5.567   2.955   3.244
  195    H    LEU  24           H        LEU  24   0.601   1.455   3.678
  196    HA   LEU  24           HA       LEU  24   1.722  -1.144   4.485
  197   1HB   LEU  24          1HB       LEU  24   0.168  -0.985   6.407
  198   2HB   LEU  24          2HB       LEU  24   1.316   0.343   6.341
  199    HG   LEU  24           HG       LEU  24  -0.741   1.374   4.941
  200   1HD1  LEU  24          1HD1      LEU  24  -2.363   0.413   7.148
  201   2HD1  LEU  24          2HD1      LEU  24  -1.909  -0.857   6.011
  202   3HD1  LEU  24          3HD1      LEU  24  -2.752   0.584   5.434
  203   1HD2  LEU  24          1HD2      LEU  24  -0.488   1.534   7.938
  204   2HD2  LEU  24          2HD2      LEU  24  -1.186   2.746   6.864
  205   3HD2  LEU  24          3HD2      LEU  24   0.543   2.402   6.800
  206    H    HIS  25           H        HIS  25  -1.258   0.414   3.349
  207    HA   HIS  25           HA       HIS  25  -2.804  -1.947   3.355
  208   1HB   HIS  25          1HB       HIS  25  -4.455  -0.491   3.011
  209   2HB   HIS  25          2HB       HIS  25  -3.290   0.799   2.830
  210    HD1  HIS  25           HD1      HIS  25  -4.995  -1.815   0.639
  211    HD2  HIS  25           HD2      HIS  25  -3.399   2.020   0.445
  212    HE1  HIS  25           HE1      HIS  25  -5.555  -0.921  -1.658
  213    H    GLU  26           H        GLU  26  -0.555  -0.553   1.062
  214    HA   GLU  26           HA       GLU  26  -1.382  -2.139  -1.157
  215   1HB   GLU  26          1HB       GLU  26   0.622  -1.448  -2.235
  216   2HB   GLU  26          2HB       GLU  26   0.076  -0.075  -1.287
  217   1HG   GLU  26          1HG       GLU  26   2.056   0.032  -0.322
  218   2HG   GLU  26          2HG       GLU  26   1.811  -1.576   0.354
  219    H    LEU  27           H        LEU  27   0.281  -2.808   1.783
  220    HA   LEU  27           HA       LEU  27   1.404  -5.306   0.695
  221   1HB   LEU  27          1HB       LEU  27   1.878  -3.746   3.210
  222   2HB   LEU  27          2HB       LEU  27   2.292  -5.448   3.147
  223   1HD1  LEU  27          1HD1      LEU  27   4.769  -4.842   0.309
  224   2HD1  LEU  27          2HD1      LEU  27   3.060  -4.716  -0.105
  225   3HD1  LEU  27          3HD1      LEU  27   3.633  -6.068   0.873
  226   1HD2  LEU  27          1HD2      LEU  27   2.620  -2.273   1.750
  227   2HD2  LEU  27          2HD2      LEU  27   3.961  -2.557   0.637
  228   3HD2  LEU  27          3HD2      LEU  27   4.281  -2.257   2.345
  229    H    LEU  28           H        LEU  28  -0.204  -4.424   3.765
  230    HA   LEU  28           HA       LEU  28  -1.436  -7.058   3.871
  231   1HB   LEU  28          1HB       LEU  28  -0.445  -6.229   5.908
  232   2HB   LEU  28          2HB       LEU  28  -1.388  -4.754   5.819
  233    HG   LEU  28           HG       LEU  28  -3.121  -7.070   5.858
  234   1HD1  LEU  28          1HD1      LEU  28  -1.162  -6.781   8.130
  235   2HD1  LEU  28          2HD1      LEU  28  -1.364  -8.177   7.070
  236   3HD1  LEU  28          3HD1      LEU  28  -2.648  -7.730   8.194
  237   1HD2  LEU  28          1HD2      LEU  28  -3.583  -4.618   6.397
  238   2HD2  LEU  28          2HD2      LEU  28  -2.837  -4.947   7.961
  239   3HD2  LEU  28          3HD2      LEU  28  -4.282  -5.830   7.471
  240    H    GLY  29           H        GLY  29  -2.613  -3.698   4.263
  241   1HA   GLY  29          1HA       GLY  29  -4.475  -2.739   3.206
  242   2HA   GLY  29          2HA       GLY  29  -4.944  -4.331   2.630
  243    H    GLU  30           H        GLU  30  -6.590  -5.312   3.621
  244    HA   GLU  30           HA       GLU  30  -7.199  -4.685   6.407
  245   1HB   GLU  30          1HB       GLU  30  -9.018  -4.147   4.075
  246   2HB   GLU  30          2HB       GLU  30  -9.684  -4.514   5.660
  247   1HG   GLU  30          1HG       GLU  30  -8.772  -2.578   6.615
  248   2HG   GLU  30          2HG       GLU  30  -7.675  -2.324   5.259
  249    H    GLU  31           H        GLU  31  -6.319  -6.892   6.511
  250    HA   GLU  31           HA       GLU  31  -8.107  -8.982   5.511
  251   1HB   GLU  31          1HB       GLU  31  -5.318  -9.026   6.652
  252   2HB   GLU  31          2HB       GLU  31  -6.253 -10.499   6.438
  253   1HG   GLU  31          1HG       GLU  31  -6.226 -10.334   4.125
  254   2HG   GLU  31          2HG       GLU  31  -5.843  -8.613   4.154
  255    H    ARG  32           H        ARG  32  -9.796  -8.333   7.035
  256    HA   ARG  32           HA       ARG  32  -9.279  -9.169   9.806
  257   1HB   ARG  32          1HB       ARG  32 -11.288  -7.930  10.413
  258   2HB   ARG  32          2HB       ARG  32 -10.170  -6.897   9.535
  259   1HG   ARG  32          1HG       ARG  32 -11.496  -6.965   7.577
  260   2HG   ARG  32          2HG       ARG  32 -12.490  -8.277   8.214
  261   1HD   ARG  32          1HD       ARG  32 -12.871  -6.439  10.137
  262   2HD   ARG  32          2HD       ARG  32 -12.591  -5.375   8.760
  263    HE   ARG  32           HE       ARG  32 -14.888  -7.032   9.238
  264   1HH1  ARG  32          1HH1      ARG  32 -13.008  -5.407   6.769
  265   2HH1  ARG  32          2HH1      ARG  32 -14.328  -5.316   5.652
  266   1HH2  ARG  32          1HH2      ARG  32 -16.622  -6.906   7.762
  267   2HH2  ARG  32          2HH2      ARG  32 -16.378  -6.166   6.216
  268    H    ARG  33           H        ARG  33 -10.707 -10.580  10.876
  269    HA   ARG  33           HA       ARG  33 -12.090 -12.357  11.138
  270   1HB   ARG  33          1HB       ARG  33 -13.302 -11.615   8.469
  271   2HB   ARG  33          2HB       ARG  33 -14.018 -12.637   9.705
  272   1HG   ARG  33          1HG       ARG  33 -13.897 -10.583  11.221
  273   2HG   ARG  33          2HG       ARG  33 -13.605  -9.669   9.740
  274   1HD   ARG  33          1HD       ARG  33 -15.913 -11.556   9.853
  275   2HD   ARG  33          2HD       ARG  33 -16.040  -9.998  10.666
  276    HE   ARG  33           HE       ARG  33 -15.949  -8.921   8.595
  277   1HH1  ARG  33          1HH1      ARG  33 -15.697 -12.398   8.214
  278   2HH1  ARG  33          2HH1      ARG  33 -16.043 -12.356   6.520
  279   1HH2  ARG  33          1HH2      ARG  33 -16.400  -8.882   6.361
  280   2HH2  ARG  33          2HH2      ARG  33 -16.441 -10.365   5.468
  Start of MODEL   28
    1    H    TYR   1           H        TYR   1 -14.301  14.770  -0.081
    2    HA   TYR   1           HA       TYR   1 -12.175  13.038   0.973
    3   1HB   TYR   1          1HB       TYR   1 -14.135  11.405   1.281
    4   2HB   TYR   1          2HB       TYR   1 -13.958  12.683   2.475
    5    HD1  TYR   1           HD1      TYR   1 -15.561  14.532   2.565
    6    HD2  TYR   1           HD2      TYR   1 -16.025  11.361  -0.235
    7    HE1  TYR   1           HE1      TYR   1 -17.883  15.230   2.165
    8    HE2  TYR   1           HE2      TYR   1 -18.347  12.052  -0.643
    9    HH   TYR   1           HH       TYR   1 -20.132  13.665   1.164
   10    H    LYS   2           H        LYS   2 -11.702  13.803  -1.438
   11    HA   LYS   2           HA       LYS   2 -12.843  11.732  -3.196
   12   1HB   LYS   2          1HB       LYS   2 -12.128  14.591  -3.854
   13   2HB   LYS   2          2HB       LYS   2 -12.383  13.364  -5.087
   14   1HG   LYS   2          1HG       LYS   2 -14.480  13.893  -3.022
   15   2HG   LYS   2          2HG       LYS   2 -14.330  14.929  -4.442
   16   1HD   LYS   2          1HD       LYS   2 -14.391  11.978  -4.841
   17   2HD   LYS   2          2HD       LYS   2 -15.899  12.801  -4.439
   18   1HE   LYS   2          1HE       LYS   2 -16.082  13.663  -6.489
   19   2HE   LYS   2          2HE       LYS   2 -14.406  14.208  -6.490
   20   1HZ   LYS   2          1HZ       LYS   2 -15.322  11.450  -7.116
   21   2HZ   LYS   2          2HZ       LYS   2 -13.717  11.987  -7.136
   22   3HZ   LYS   2          3HZ       LYS   2 -14.829  12.606  -8.251
   23    H    PHE   3           H        PHE   3 -10.786  10.892  -1.849
   24    HA   PHE   3           HA       PHE   3  -8.619  10.829  -3.805
   25   1HB   PHE   3          1HB       PHE   3  -8.272  12.535  -1.813
   26   2HB   PHE   3          2HB       PHE   3  -7.854  11.077  -0.922
   27    HD1  PHE   3           HD1      PHE   3  -6.804  13.456  -3.450
   28    HD2  PHE   3           HD2      PHE   3  -5.911   9.741  -1.596
   29    HE1  PHE   3           HE1      PHE   3  -4.514  13.564  -4.340
   30    HE2  PHE   3           HE2      PHE   3  -3.617   9.831  -2.477
   31    HZ   PHE   3           HZ       PHE   3  -2.916  11.751  -3.859
   32    H    ALA   4           H        ALA   4  -8.615   8.728  -4.318
   33    HA   ALA   4           HA       ALA   4  -8.789   6.760  -2.163
   34   1HB   ALA   4          1HB       ALA   4  -9.565   6.440  -5.053
   35   2HB   ALA   4          2HB       ALA   4 -10.670   6.610  -3.688
   36   3HB   ALA   4          3HB       ALA   4  -9.650   5.177  -3.825
   37    H    CYS   5           H        CYS   5  -7.392   4.988  -2.151
   38    HA   CYS   5           HA       CYS   5  -4.765   5.470  -3.041
   39   1HB   CYS   5          1HB       CYS   5  -5.871   2.779  -2.240
   40   2HB   CYS   5          2HB       CYS   5  -4.212   3.345  -2.100
   41    HG   CYS   5           HG       CYS   5  -4.938   4.848  -0.118
   42    HA   PRO   6           HA       PRO   6  -4.689   3.806  -7.132
   43   1HB   PRO   6          1HB       PRO   6  -2.197   2.713  -7.226
   44   2HB   PRO   6          2HB       PRO   6  -2.494   4.454  -7.292
   45   1HG   PRO   6          1HG       PRO   6  -1.667   2.758  -4.970
   46   2HG   PRO   6          2HG       PRO   6  -1.083   4.362  -5.450
   47   1HD   PRO   6          1HD       PRO   6  -2.881   3.998  -3.459
   48   2HD   PRO   6          2HD       PRO   6  -2.882   5.439  -4.495
   49    H    GLU   7           H        GLU   7  -4.338   1.776  -4.361
   50    HA   GLU   7           HA       GLU   7  -4.582  -0.661  -5.969
   51   1HB   GLU   7          1HB       GLU   7  -3.221  -0.031  -3.544
   52   2HB   GLU   7          2HB       GLU   7  -4.445  -1.240  -3.182
   53   1HG   GLU   7          1HG       GLU   7  -2.781  -1.716  -5.574
   54   2HG   GLU   7          2HG       GLU   7  -1.984  -1.845  -4.008
   55    H    CYS   8           H        CYS   8  -6.091   0.841  -3.071
   56    HA   CYS   8           HA       CYS   8  -8.491  -0.766  -3.624
   57   1HB   CYS   8          1HB       CYS   8  -9.171  -0.425  -1.350
   58   2HB   CYS   8          2HB       CYS   8  -7.537  -1.020  -1.372
   59    HG   CYS   8           HG       CYS   8  -7.474   0.863   0.323
   60    HA   PRO   9           HA       PRO   9 -10.967   2.716  -4.509
   61   1HB   PRO   9          1HB       PRO   9 -13.382   1.775  -3.860
   62   2HB   PRO   9          2HB       PRO   9 -12.426   1.036  -5.149
   63   1HG   PRO   9          1HG       PRO   9 -12.861   0.110  -2.342
   64   2HG   PRO   9          2HG       PRO   9 -12.754  -0.841  -3.833
   65   1HD   PRO   9          1HD       PRO   9 -10.674  -0.456  -2.005
   66   2HD   PRO   9          2HD       PRO   9 -10.483  -1.007  -3.672
   67    H    LYS  10           H        LYS  10 -10.268   2.019  -1.322
   68    HA   LYS  10           HA       LYS  10 -12.192   3.275   0.212
   69   1HB   LYS  10          1HB       LYS  10  -9.249   2.853   0.543
   70   2HB   LYS  10          2HB       LYS  10 -10.108   3.863   1.697
   71   1HG   LYS  10          1HG       LYS  10 -11.713   1.885   1.947
   72   2HG   LYS  10          2HG       LYS  10 -10.463   0.942   1.132
   73   1HD   LYS  10          1HD       LYS  10  -8.875   1.936   2.907
   74   2HD   LYS  10          2HD       LYS  10 -10.352   2.330   3.788
   75   1HE   LYS  10          1HE       LYS  10 -11.007  -0.069   3.619
   76   2HE   LYS  10          2HE       LYS  10  -9.429  -0.402   2.908
   77   1HZ   LYS  10          1HZ       LYS  10  -9.458  -0.861   5.282
   78   2HZ   LYS  10          2HZ       LYS  10  -9.893   0.740   5.611
   79   3HZ   LYS  10          3HZ       LYS  10  -8.384   0.397   4.930
   80    H    ARG  11           H        ARG  11 -12.854   5.287   0.460
   81    HA   ARG  11           HA       ARG  11 -11.347   7.443  -0.836
   82   1HB   ARG  11          1HB       ARG  11 -13.493   8.759  -0.451
   83   2HB   ARG  11          2HB       ARG  11 -13.584   7.434  -1.601
   84   1HG   ARG  11          1HG       ARG  11 -14.950   6.185  -0.273
   85   2HG   ARG  11          2HG       ARG  11 -14.313   6.871   1.222
   86   1HD   ARG  11          1HD       ARG  11 -16.534   7.680   0.975
   87   2HD   ARG  11          2HD       ARG  11 -15.450   9.021   0.608
   88    HE   ARG  11           HE       ARG  11 -16.244   9.036  -1.538
   89   1HH1  ARG  11          1HH1      ARG  11 -17.205   6.028  -0.023
   90   2HH1  ARG  11          2HH1      ARG  11 -18.236   5.557  -1.330
   91   1HH2  ARG  11          1HH2      ARG  11 -17.607   8.414  -3.253
   92   2HH2  ARG  11          2HH2      ARG  11 -18.466   6.912  -3.165
   93    H    PHE  12           H        PHE  12 -10.046   8.612   0.395
   94    HA   PHE  12           HA       PHE  12 -10.568   8.793   3.278
   95   1HB   PHE  12          1HB       PHE  12  -8.084   9.595   1.752
   96   2HB   PHE  12          2HB       PHE  12  -8.259   9.551   3.495
   97    HD1  PHE  12           HD1      PHE  12  -7.081   7.865   4.472
   98    HD2  PHE  12           HD2      PHE  12  -8.909   7.127   0.698
   99    HE1  PHE  12           HE1      PHE  12  -6.209   5.566   4.501
  100    HE2  PHE  12           HE2      PHE  12  -8.046   4.826   0.727
  101    HZ   PHE  12           HZ       PHE  12  -6.686   4.034   2.629
  102    H    MET  13           H        MET  13  -9.563  11.043   4.137
  103    HA   MET  13           HA       MET  13 -11.260  13.080   2.941
  104   1HB   MET  13          1HB       MET  13 -10.957  12.514   5.487
  105   2HB   MET  13          2HB       MET  13  -9.553  13.563   5.351
  106   1HG   MET  13          1HG       MET  13 -11.289  14.938   6.101
  107   2HG   MET  13          2HG       MET  13 -11.117  15.302   4.385
  108   1HE   MET  13          1HE       MET  13 -13.551  16.511   5.064
  109   2HE   MET  13          2HE       MET  13 -14.848  15.711   4.176
  110   3HE   MET  13          3HE       MET  13 -13.310  16.041   3.381
  111    H    ARG  14           H        ARG  14  -7.820  12.475   3.507
  112    HA   ARG  14           HA       ARG  14  -7.201  14.733   1.717
  113   1HB   ARG  14          1HB       ARG  14  -5.672  13.979   4.216
  114   2HB   ARG  14          2HB       ARG  14  -5.209  15.234   3.077
  115   1HG   ARG  14          1HG       ARG  14  -7.081  16.576   3.671
  116   2HG   ARG  14          2HG       ARG  14  -7.795  15.266   4.614
  117   1HD   ARG  14          1HD       ARG  14  -6.831  16.653   6.223
  118   2HD   ARG  14          2HD       ARG  14  -5.652  15.360   6.011
  119    HE   ARG  14           HE       ARG  14  -5.256  17.772   4.431
  120   1HH1  ARG  14          1HH1      ARG  14  -4.352  15.920   7.266
  121   2HH1  ARG  14          2HH1      ARG  14  -2.847  16.747   7.472
  122   1HH2  ARG  14          1HH2      ARG  14  -3.274  18.854   4.714
  123   2HH2  ARG  14          2HH2      ARG  14  -2.235  18.412   6.027
  124    H    SER  15           H        SER  15  -5.019  14.580   0.737
  125    HA   SER  15           HA       SER  15  -4.620  12.063  -0.477
  126   1HB   SER  15          1HB       SER  15  -2.538  13.129  -1.393
  127   2HB   SER  15          2HB       SER  15  -4.001  14.073  -1.659
  128    HG   SER  15           HG       SER  15  -1.791  14.618  -0.078
  129    H    ASP  16           H        ASP  16  -2.868  13.768   2.102
  130    HA   ASP  16           HA       ASP  16  -0.804  11.876   2.419
  131   1HB   ASP  16          1HB       ASP  16  -0.631  12.889   4.768
  132   2HB   ASP  16          2HB       ASP  16  -0.399  13.970   3.400
  133    H    HIS  17           H        HIS  17  -4.091  11.987   3.632
  134    HA   HIS  17           HA       HIS  17  -3.940  10.150   5.725
  135   1HB   HIS  17          1HB       HIS  17  -6.150  10.798   3.777
  136   2HB   HIS  17          2HB       HIS  17  -6.367   9.623   5.066
  137    HD1  HIS  17           HD1      HIS  17  -8.278  11.483   5.717
  138    HD2  HIS  17           HD2      HIS  17  -4.309  12.520   6.370
  139    HE1  HIS  17           HE1      HIS  17  -8.343  13.414   7.327
  140    HE2  HIS  17           HE2      HIS  17  -5.931  14.043   7.687
  141    H    LEU  18           H        LEU  18  -3.817   9.679   2.276
  142    HA   LEU  18           HA       LEU  18  -4.131   6.786   2.473
  143   1HB   LEU  18          1HB       LEU  18  -3.545   8.570   0.124
  144   2HB   LEU  18          2HB       LEU  18  -3.776   6.840   0.027
  145    HG   LEU  18           HG       LEU  18  -6.099   7.271   1.002
  146   1HD1  LEU  18          1HD1      LEU  18  -6.871   9.618   0.211
  147   2HD1  LEU  18          2HD1      LEU  18  -5.170  10.044   0.387
  148   3HD1  LEU  18          3HD1      LEU  18  -6.078   9.451   1.777
  149   1HD2  LEU  18          1HD2      LEU  18  -5.981   6.557  -1.198
  150   2HD2  LEU  18          2HD2      LEU  18  -5.145   8.017  -1.726
  151   3HD2  LEU  18          3HD2      LEU  18  -6.860   8.080  -1.319
  152    H    SER  19           H        SER  19  -1.725   9.148   1.354
  153    HA   SER  19           HA       SER  19   0.340   7.637   0.574
  154   1HB   SER  19          1HB       SER  19   0.562  10.027   0.597
  155   2HB   SER  19          2HB       SER  19   0.468  10.082   2.357
  156    HG   SER  19           HG       SER  19   2.597   9.411   0.699
  157    H    LYS  20           H        LYS  20  -0.541   8.115   3.974
  158    HA   LYS  20           HA       LYS  20   1.665   6.494   4.914
  159   1HB   LYS  20          1HB       LYS  20   0.438   8.479   6.120
  160   2HB   LYS  20          2HB       LYS  20  -0.690   7.226   6.618
  161   1HG   LYS  20          1HG       LYS  20   0.943   6.082   7.846
  162   2HG   LYS  20          2HG       LYS  20   2.262   6.955   7.066
  163   1HD   LYS  20          1HD       LYS  20   1.193   9.055   8.124
  164   2HD   LYS  20          2HD       LYS  20   0.348   7.910   9.167
  165   1HE   LYS  20          1HE       LYS  20   3.320   7.762   8.824
  166   2HE   LYS  20          2HE       LYS  20   2.604   8.911   9.953
  167   1HZ   LYS  20          1HZ       LYS  20   2.215   5.965   9.993
  168   2HZ   LYS  20          2HZ       LYS  20   1.506   7.061  11.069
  169   3HZ   LYS  20          3HZ       LYS  20   3.184   6.853  11.060
  170    H    HIS  21           H        HIS  21  -1.752   6.085   4.204
  171    HA   HIS  21           HA       HIS  21  -1.918   3.480   5.428
  172   1HB   HIS  21          1HB       HIS  21  -3.994   4.431   5.518
  173   2HB   HIS  21          2HB       HIS  21  -3.776   5.314   4.015
  174    HD1  HIS  21           HD1      HIS  21  -5.787   2.704   5.331
  175    HD2  HIS  21           HD2      HIS  21  -3.797   3.296   1.740
  176    HE1  HIS  21           HE1      HIS  21  -6.925   1.207   3.635
  177    H    ILE  22           H        ILE  22  -1.327   4.722   2.173
  178    HA   ILE  22           HA       ILE  22  -1.814   2.300   0.815
  179    HB   ILE  22           HB       ILE  22  -0.124   3.297  -0.905
  180   1HG1  ILE  22          1HG1      ILE  22  -0.820   5.979  -0.202
  181   2HG1  ILE  22          2HG1      ILE  22   0.011   5.221   1.152
  182   1HG2  ILE  22          1HG2      ILE  22  -2.925   3.985  -0.277
  183   2HG2  ILE  22          2HG2      ILE  22  -2.226   3.285  -1.737
  184   3HG2  ILE  22          3HG2      ILE  22  -2.109   5.020  -1.448
  185   1HD1  ILE  22          1HD1      ILE  22   1.055   5.296  -1.662
  186   2HD1  ILE  22          2HD1      ILE  22   1.897   4.686  -0.238
  187   3HD1  ILE  22          3HD1      ILE  22   1.529   6.405  -0.377
  188    H    THR  23           H        THR  23   1.194   3.641   2.089
  189    HA   THR  23           HA       THR  23   2.899   1.666   1.149
  190    HB   THR  23           HB       THR  23   3.143   3.146   3.777
  191    HG1  THR  23           HG1      THR  23   3.192   4.781   2.450
  192   1HG2  THR  23          1HG2      THR  23   5.176   1.754   2.066
  193   2HG2  THR  23          2HG2      THR  23   4.824   1.503   3.776
  194   3HG2  THR  23          3HG2      THR  23   5.605   2.992   3.245
  195    H    LEU  24           H        LEU  24   0.532   1.408   3.649
  196    HA   LEU  24           HA       LEU  24   1.687  -1.149   4.545
  197   1HB   LEU  24          1HB       LEU  24   0.055  -0.994   6.416
  198   2HB   LEU  24          2HB       LEU  24   1.224   0.316   6.390
  199    HG   LEU  24           HG       LEU  24  -0.767   1.403   4.945
  200   1HD1  LEU  24          1HD1      LEU  24  -2.807   0.622   5.347
  201   2HD1  LEU  24          2HD1      LEU  24  -2.482   0.414   7.070
  202   3HD1  LEU  24          3HD1      LEU  24  -2.000  -0.838   5.924
  203   1HD2  LEU  24          1HD2      LEU  24   0.454   2.371   6.876
  204   2HD2  LEU  24          2HD2      LEU  24  -0.633   1.492   7.951
  205   3HD2  LEU  24          3HD2      LEU  24  -1.271   2.736   6.877
  206    H    HIS  25           H        HIS  25  -1.264   0.366   3.309
  207    HA   HIS  25           HA       HIS  25  -2.764  -2.038   3.240
  208   1HB   HIS  25          1HB       HIS  25  -4.450  -0.589   2.968
  209   2HB   HIS  25          2HB       HIS  25  -3.305   0.725   2.826
  210    HD1  HIS  25           HD1      HIS  25  -5.052  -1.807   0.586
  211    HD2  HIS  25           HD2      HIS  25  -3.343   1.980   0.444
  212    HE1  HIS  25           HE1      HIS  25  -5.570  -0.876  -1.704
  213    H    GLU  26           H        GLU  26  -0.647  -0.407   0.941
  214    HA   GLU  26           HA       GLU  26  -1.433  -2.156  -1.216
  215   1HB   GLU  26          1HB       GLU  26  -0.031  -0.933  -2.577
  216   2HB   GLU  26          2HB       GLU  26  -0.409   0.261  -1.345
  217   1HG   GLU  26          1HG       GLU  26   1.726  -0.386  -0.203
  218   2HG   GLU  26          2HG       GLU  26   2.106  -1.359  -1.623
  219    H    LEU  27           H        LEU  27   0.508  -2.442   1.551
  220    HA   LEU  27           HA       LEU  27   2.231  -4.495   0.340
  221   1HB   LEU  27          1HB       LEU  27   2.275  -3.007   2.944
  222   2HB   LEU  27          2HB       LEU  27   3.169  -4.504   2.766
  223   1HD1  LEU  27          1HD1      LEU  27   4.333  -4.256   0.025
  224   2HD1  LEU  27          2HD1      LEU  27   5.196  -4.612   1.520
  225   3HD1  LEU  27          3HD1      LEU  27   5.720  -3.274   0.497
  226   1HD2  LEU  27          1HD2      LEU  27   3.369  -2.146  -0.306
  227   2HD2  LEU  27          2HD2      LEU  27   4.107  -0.939   0.745
  228   3HD2  LEU  27          3HD2      LEU  27   2.447  -1.467   1.038
  229    H    LEU  28           H        LEU  28   0.418  -4.222   3.410
  230    HA   LEU  28           HA       LEU  28  -0.192  -7.092   3.217
  231   1HB   LEU  28          1HB       LEU  28  -0.152  -5.214   5.578
  232   2HB   LEU  28          2HB       LEU  28  -0.735  -6.865   5.662
  233    HG   LEU  28           HG       LEU  28   1.731  -7.269   4.599
  234   1HD1  LEU  28          1HD1      LEU  28   3.329  -5.882   5.783
  235   2HD1  LEU  28          2HD1      LEU  28   2.018  -4.949   6.503
  236   3HD1  LEU  28          3HD1      LEU  28   2.293  -4.884   4.763
  237   1HD2  LEU  28          1HD2      LEU  28   1.065  -7.044   7.532
  238   2HD2  LEU  28          2HD2      LEU  28   2.401  -7.961   6.836
  239   3HD2  LEU  28          3HD2      LEU  28   0.736  -8.439   6.505
  240    H    GLY  29           H        GLY  29  -2.291  -7.862   3.521
  241   1HA   GLY  29          1HA       GLY  29  -4.372  -6.040   2.682
  242   2HA   GLY  29          2HA       GLY  29  -4.538  -7.770   2.941
  243    H    GLU  30           H        GLU  30  -5.920  -5.120   3.890
  244    HA   GLU  30           HA       GLU  30  -6.020  -5.844   6.746
  245   1HB   GLU  30          1HB       GLU  30  -6.185  -3.227   5.322
  246   2HB   GLU  30          2HB       GLU  30  -7.112  -3.421   6.805
  247   1HG   GLU  30          1HG       GLU  30  -5.080  -2.471   7.462
  248   2HG   GLU  30          2HG       GLU  30  -4.955  -4.175   7.892
  249    H    GLU  31           H        GLU  31  -7.574  -7.482   6.392
  250    HA   GLU  31           HA       GLU  31 -10.221  -6.555   5.509
  251   1HB   GLU  31          1HB       GLU  31 -10.759  -9.016   5.376
  252   2HB   GLU  31          2HB       GLU  31  -9.548  -8.449   4.238
  253   1HG   GLU  31          1HG       GLU  31  -8.434  -9.431   6.755
  254   2HG   GLU  31          2HG       GLU  31  -9.321 -10.645   5.836
  255    H    ARG  32           H        ARG  32 -11.616  -6.040   7.042
  256    HA   ARG  32           HA       ARG  32 -11.332  -7.255   9.705
  257   1HB   ARG  32          1HB       ARG  32 -12.212  -4.599   8.734
  258   2HB   ARG  32          2HB       ARG  32 -13.092  -5.247  10.111
  259   1HG   ARG  32          1HG       ARG  32 -10.095  -5.098  10.058
  260   2HG   ARG  32          2HG       ARG  32 -11.101  -3.754  10.602
  261   1HD   ARG  32          1HD       ARG  32 -12.051  -5.101  12.351
  262   2HD   ARG  32          2HD       ARG  32 -11.239  -6.542  11.742
  263    HE   ARG  32           HE       ARG  32  -9.299  -5.856  12.762
  264   1HH1  ARG  32          1HH1      ARG  32 -11.599  -3.215  12.808
  265   2HH1  ARG  32          2HH1      ARG  32 -10.653  -2.250  13.889
  266   1HH2  ARG  32          1HH2      ARG  32  -8.058  -4.578  14.184
  267   2HH2  ARG  32          2HH2      ARG  32  -8.643  -3.022  14.669
  268    H    ARG  33           H        ARG  33 -12.956  -8.386  10.639
  269    HA   ARG  33           HA       ARG  33 -14.919  -9.487  10.933
  270   1HB   ARG  33          1HB       ARG  33 -15.713  -7.088   9.610
  271   2HB   ARG  33          2HB       ARG  33 -16.636  -8.417   8.924
  272   1HG   ARG  33          1HG       ARG  33 -17.981  -7.761  10.661
  273   2HG   ARG  33          2HG       ARG  33 -17.050  -9.060  11.410
  274   1HD   ARG  33          1HD       ARG  33 -15.938  -7.649  12.786
  275   2HD   ARG  33          2HD       ARG  33 -15.872  -6.361  11.586
  276    HE   ARG  33           HE       ARG  33 -17.843  -5.516  12.411
  277   1HH1  ARG  33          1HH1      ARG  33 -17.307  -8.696  13.780
  278   2HH1  ARG  33          2HH1      ARG  33 -18.578  -8.542  14.944
  279   1HH2  ARG  33          1HH2      ARG  33 -19.517  -5.323  13.948
  280   2HH2  ARG  33          2HH2      ARG  33 -19.833  -6.630  15.039
  Start of MODEL   29
    1    H    TYR   1           H        TYR   1 -13.425  14.509   0.199
    2    HA   TYR   1           HA       TYR   1 -12.986  11.735   1.035
    3   1HB   TYR   1          1HB       TYR   1 -15.480  11.472   0.655
    4   2HB   TYR   1          2HB       TYR   1 -15.020  12.314   2.128
    5    HD1  TYR   1           HD1      TYR   1 -15.497  14.675   2.414
    6    HD2  TYR   1           HD2      TYR   1 -16.547  12.672  -1.190
    7    HE1  TYR   1           HE1      TYR   1 -16.931  16.569   1.785
    8    HE2  TYR   1           HE2      TYR   1 -17.983  14.561  -1.828
    9    HH   TYR   1           HH       TYR   1 -19.236  16.596  -0.074
   10    H    LYS   2           H        LYS   2 -11.758  13.129  -1.108
   11    HA   LYS   2           HA       LYS   2 -12.960  11.692  -3.364
   12   1HB   LYS   2          1HB       LYS   2 -13.374  14.307  -3.238
   13   2HB   LYS   2          2HB       LYS   2 -11.746  14.365  -3.902
   14   1HG   LYS   2          1HG       LYS   2 -12.758  12.609  -5.598
   15   2HG   LYS   2          2HG       LYS   2 -14.268  13.392  -5.129
   16   1HD   LYS   2          1HD       LYS   2 -12.078  15.247  -5.732
   17   2HD   LYS   2          2HD       LYS   2 -12.595  14.263  -7.102
   18   1HE   LYS   2          1HE       LYS   2 -14.928  14.971  -6.675
   19   2HE   LYS   2          2HE       LYS   2 -14.344  16.023  -5.388
   20   1HZ   LYS   2          1HZ       LYS   2 -13.031  17.230  -7.025
   21   2HZ   LYS   2          2HZ       LYS   2 -14.673  17.250  -7.435
   22   3HZ   LYS   2          3HZ       LYS   2 -13.609  16.225  -8.259
   23    H    PHE   3           H        PHE   3 -10.868  10.746  -1.850
   24    HA   PHE   3           HA       PHE   3  -8.715  10.736  -3.824
   25   1HB   PHE   3          1HB       PHE   3  -8.348  12.354  -1.747
   26   2HB   PHE   3          2HB       PHE   3  -7.900  10.851  -0.951
   27    HD1  PHE   3           HD1      PHE   3  -6.976  13.306  -3.484
   28    HD2  PHE   3           HD2      PHE   3  -5.920   9.629  -1.638
   29    HE1  PHE   3           HE1      PHE   3  -4.716  13.476  -4.438
   30    HE2  PHE   3           HE2      PHE   3  -3.656   9.781  -2.581
   31    HZ   PHE   3           HZ       PHE   3  -3.052  11.713  -3.991
   32    H    ALA   4           H        ALA   4  -8.548   8.664  -4.388
   33    HA   ALA   4           HA       ALA   4  -8.852   6.617  -2.323
   34   1HB   ALA   4          1HB       ALA   4  -9.636   5.095  -4.048
   35   2HB   ALA   4          2HB       ALA   4  -9.417   6.351  -5.267
   36   3HB   ALA   4          3HB       ALA   4 -10.629   6.551  -4.002
   37    H    CYS   5           H        CYS   5  -7.396   4.935  -2.203
   38    HA   CYS   5           HA       CYS   5  -4.743   5.444  -2.993
   39   1HB   CYS   5          1HB       CYS   5  -5.886   2.769  -2.177
   40   2HB   CYS   5          2HB       CYS   5  -4.213   3.294  -2.049
   41    HG   CYS   5           HG       CYS   5  -6.123   3.549   0.120
   42    HA   PRO   6           HA       PRO   6  -4.355   3.784  -7.062
   43   1HB   PRO   6          1HB       PRO   6  -1.905   2.366  -6.226
   44   2HB   PRO   6          2HB       PRO   6  -2.110   3.638  -7.432
   45   1HG   PRO   6          1HG       PRO   6  -0.908   4.112  -5.082
   46   2HG   PRO   6          2HG       PRO   6  -1.922   5.331  -5.875
   47   1HD   PRO   6          1HD       PRO   6  -2.568   3.535  -3.571
   48   2HD   PRO   6          2HD       PRO   6  -2.992   5.240  -3.826
   49    H    GLU   7           H        GLU   7  -4.175   1.632  -4.305
   50    HA   GLU   7           HA       GLU   7  -4.660  -0.707  -5.992
   51   1HB   GLU   7          1HB       GLU   7  -2.935  -0.591  -4.055
   52   2HB   GLU   7          2HB       GLU   7  -4.333  -0.796  -3.013
   53   1HG   GLU   7          1HG       GLU   7  -3.698  -2.687  -5.256
   54   2HG   GLU   7          2HG       GLU   7  -3.051  -2.883  -3.628
   55    H    CYS   8           H        CYS   8  -6.062   0.771  -3.021
   56    HA   CYS   8           HA       CYS   8  -8.547  -0.672  -3.618
   57   1HB   CYS   8          1HB       CYS   8  -9.224  -0.328  -1.355
   58   2HB   CYS   8          2HB       CYS   8  -7.606  -0.962  -1.356
   59    HG   CYS   8           HG       CYS   8  -7.499   0.915   0.337
   60    HA   PRO   9           HA       PRO   9 -10.869   2.908  -4.509
   61   1HB   PRO   9          1HB       PRO   9 -13.321   2.037  -3.916
   62   2HB   PRO   9          2HB       PRO   9 -12.362   1.273  -5.189
   63   1HG   PRO   9          1HG       PRO   9 -12.883   0.351  -2.395
   64   2HG   PRO   9          2HG       PRO   9 -12.779  -0.597  -3.889
   65   1HD   PRO   9          1HD       PRO   9 -10.721  -0.283  -2.019
   66   2HD   PRO   9          2HD       PRO   9 -10.519  -0.839  -3.684
   67    H    LYS  10           H        LYS  10 -10.327   2.095  -1.290
   68    HA   LYS  10           HA       LYS  10 -12.223   3.416   0.203
   69   1HB   LYS  10          1HB       LYS  10  -9.306   2.893   0.606
   70   2HB   LYS  10          2HB       LYS  10 -10.159   3.917   1.752
   71   1HG   LYS  10          1HG       LYS  10 -11.777   2.075   2.118
   72   2HG   LYS  10          2HG       LYS  10 -10.793   1.055   1.066
   73   1HD   LYS  10          1HD       LYS  10  -8.872   1.409   2.589
   74   2HD   LYS  10          2HD       LYS  10  -9.926   2.333   3.661
   75   1HE   LYS  10          1HE       LYS  10 -11.393   0.300   3.806
   76   2HE   LYS  10          2HE       LYS  10 -10.141  -0.585   2.935
   77   1HZ   LYS  10          1HZ       LYS  10  -9.932  -0.904   5.311
   78   2HZ   LYS  10          2HZ       LYS  10  -9.808   0.764   5.562
   79   3HZ   LYS  10          3HZ       LYS  10  -8.590  -0.057   4.723
   80    H    ARG  11           H        ARG  11 -12.872   5.443   0.355
   81    HA   ARG  11           HA       ARG  11 -11.239   7.558  -0.837
   82   1HB   ARG  11          1HB       ARG  11 -13.301   8.942  -0.669
   83   2HB   ARG  11          2HB       ARG  11 -13.507   7.497  -1.647
   84   1HG   ARG  11          1HG       ARG  11 -15.284   6.984  -0.436
   85   2HG   ARG  11          2HG       ARG  11 -14.237   6.780   0.969
   86   1HD   ARG  11          1HD       ARG  11 -14.618   9.554   0.626
   87   2HD   ARG  11          2HD       ARG  11 -16.201   8.799   0.455
   88    HE   ARG  11           HE       ARG  11 -14.635   9.022   2.849
   89   1HH1  ARG  11          1HH1      ARG  11 -17.128   7.150   1.247
   90   2HH1  ARG  11          2HH1      ARG  11 -17.789   6.542   2.726
   91   1HH2  ARG  11          1HH2      ARG  11 -15.515   8.212   4.791
   92   2HH2  ARG  11          2HH2      ARG  11 -16.877   7.144   4.735
   93    H    PHE  12           H        PHE  12  -9.940   8.657   0.449
   94    HA   PHE  12           HA       PHE  12 -10.552   8.868   3.307
   95   1HB   PHE  12          1HB       PHE  12  -8.006   9.598   1.850
   96   2HB   PHE  12          2HB       PHE  12  -8.228   9.561   3.589
   97    HD1  PHE  12           HD1      PHE  12  -7.058   7.863   4.561
   98    HD2  PHE  12           HD2      PHE  12  -8.931   7.135   0.809
   99    HE1  PHE  12           HE1      PHE  12  -6.244   5.545   4.605
  100    HE2  PHE  12           HE2      PHE  12  -8.126   4.815   0.854
  101    HZ   PHE  12           HZ       PHE  12  -6.772   4.010   2.751
  102    H    MET  13           H        MET  13  -9.693  11.045   4.277
  103    HA   MET  13           HA       MET  13 -11.250  13.137   3.054
  104   1HB   MET  13          1HB       MET  13 -10.946  12.595   5.586
  105   2HB   MET  13          2HB       MET  13  -9.477  13.548   5.438
  106   1HG   MET  13          1HG       MET  13 -11.144  15.012   6.217
  107   2HG   MET  13          2HG       MET  13 -10.901  15.402   4.515
  108   1HE   MET  13          1HE       MET  13 -14.632  16.166   4.733
  109   2HE   MET  13          2HE       MET  13 -12.982  16.787   4.752
  110   3HE   MET  13          3HE       MET  13 -13.735  16.243   6.250
  111    H    ARG  14           H        ARG  14  -7.806  12.487   3.589
  112    HA   ARG  14           HA       ARG  14  -7.178  14.669   1.713
  113   1HB   ARG  14          1HB       ARG  14  -5.772  14.074   4.322
  114   2HB   ARG  14          2HB       ARG  14  -5.139  15.153   3.088
  115   1HG   ARG  14          1HG       ARG  14  -6.477  16.832   3.703
  116   2HG   ARG  14          2HG       ARG  14  -7.874  15.775   3.910
  117   1HD   ARG  14          1HD       ARG  14  -7.372  15.315   6.105
  118   2HD   ARG  14          2HD       ARG  14  -5.652  15.627   5.888
  119    HE   ARG  14           HE       ARG  14  -6.019  17.853   6.323
  120   1HH1  ARG  14          1HH1      ARG  14  -9.103  16.255   5.872
  121   2HH1  ARG  14          2HH1      ARG  14 -10.023  17.607   6.437
  122   1HH2  ARG  14          1HH2      ARG  14  -7.239  19.630   7.062
  123   2HH2  ARG  14          2HH2      ARG  14  -8.966  19.523   7.111
  124    H    SER  15           H        SER  15  -5.154  14.446   0.597
  125    HA   SER  15           HA       SER  15  -4.680  11.898  -0.445
  126   1HB   SER  15          1HB       SER  15  -2.560  14.039  -0.431
  127   2HB   SER  15          2HB       SER  15  -2.934  12.865  -1.692
  128    HG   SER  15           HG       SER  15  -3.707  14.934  -2.237
  129    H    ASP  16           H        ASP  16  -2.981  13.677   2.109
  130    HA   ASP  16           HA       ASP  16  -0.874  11.862   2.496
  131   1HB   ASP  16          1HB       ASP  16  -0.897  12.867   4.896
  132   2HB   ASP  16          2HB       ASP  16  -0.501  13.902   3.532
  133    H    HIS  17           H        HIS  17  -4.177  11.882   3.726
  134    HA   HIS  17           HA       HIS  17  -3.952   9.997   5.767
  135   1HB   HIS  17          1HB       HIS  17  -6.226  10.606   3.877
  136   2HB   HIS  17          2HB       HIS  17  -6.375   9.443   5.185
  137    HD1  HIS  17           HD1      HIS  17  -8.313  11.250   5.879
  138    HD2  HIS  17           HD2      HIS  17  -4.357  12.415   6.385
  139    HE1  HIS  17           HE1      HIS  17  -8.383  13.195   7.469
  140    HE2  HIS  17           HE2      HIS  17  -5.984  13.922   7.714
  141    H    LEU  18           H        LEU  18  -3.930   9.602   2.301
  142    HA   LEU  18           HA       LEU  18  -4.165   6.702   2.454
  143   1HB   LEU  18          1HB       LEU  18  -3.638   8.485   0.088
  144   2HB   LEU  18          2HB       LEU  18  -3.965   6.768   0.022
  145    HG   LEU  18           HG       LEU  18  -6.211   7.387   1.140
  146   1HD1  LEU  18          1HD1      LEU  18  -6.872   9.719   0.175
  147   2HD1  LEU  18          2HD1      LEU  18  -5.142  10.036   0.282
  148   3HD1  LEU  18          3HD1      LEU  18  -6.049   9.608   1.731
  149   1HD2  LEU  18          1HD2      LEU  18  -6.945   8.199  -1.273
  150   2HD2  LEU  18          2HD2      LEU  18  -6.460   6.536  -0.947
  151   3HD2  LEU  18          3HD2      LEU  18  -5.308   7.669  -1.659
  152    H    SER  19           H        SER  19  -1.853   9.132   1.286
  153    HA   SER  19           HA       SER  19   0.232   7.667   0.457
  154   1HB   SER  19          1HB       SER  19   0.338  10.088   0.493
  155   2HB   SER  19          2HB       SER  19   0.392  10.101   2.256
  156    HG   SER  19           HG       SER  19   2.456   9.661   2.189
  157    H    LYS  20           H        LYS  20  -0.606   8.127   3.866
  158    HA   LYS  20           HA       LYS  20   1.662   6.564   4.769
  159   1HB   LYS  20          1HB       LYS  20   0.576   8.530   6.020
  160   2HB   LYS  20          2HB       LYS  20  -0.698   7.397   6.448
  161   1HG   LYS  20          1HG       LYS  20   1.965   6.358   6.993
  162   2HG   LYS  20          2HG       LYS  20   1.613   7.853   7.862
  163   1HD   LYS  20          1HD       LYS  20  -0.596   5.939   7.892
  164   2HD   LYS  20          2HD       LYS  20   0.875   5.329   8.652
  165   1HE   LYS  20          1HE       LYS  20   0.963   7.260  10.110
  166   2HE   LYS  20          2HE       LYS  20  -0.435   7.968   9.300
  167   1HZ   LYS  20          1HZ       LYS  20  -1.791   6.147  10.089
  168   2HZ   LYS  20          2HZ       LYS  20  -1.025   6.896  11.398
  169   3HZ   LYS  20          3HZ       LYS  20  -0.452   5.414  10.819
  170    H    HIS  21           H        HIS  21  -1.777   6.128   4.191
  171    HA   HIS  21           HA       HIS  21  -1.909   3.537   5.426
  172   1HB   HIS  21          1HB       HIS  21  -3.989   4.480   5.516
  173   2HB   HIS  21          2HB       HIS  21  -3.783   5.347   4.004
  174    HD1  HIS  21           HD1      HIS  21  -5.818   2.792   5.349
  175    HD2  HIS  21           HD2      HIS  21  -3.793   3.268   1.763
  176    HE1  HIS  21           HE1      HIS  21  -6.965   1.273   3.682
  177    H    ILE  22           H        ILE  22  -1.306   4.731   2.163
  178    HA   ILE  22           HA       ILE  22  -1.804   2.288   0.834
  179    HB   ILE  22           HB       ILE  22  -0.138   3.281  -0.915
  180   1HG1  ILE  22          1HG1      ILE  22  -0.858   5.966  -0.226
  181   2HG1  ILE  22          2HG1      ILE  22   0.006   5.227   1.118
  182   1HG2  ILE  22          1HG2      ILE  22  -2.334   3.146  -1.593
  183   2HG2  ILE  22          2HG2      ILE  22  -2.071   4.891  -1.611
  184   3HG2  ILE  22          3HG2      ILE  22  -2.919   4.141  -0.259
  185   1HD1  ILE  22          1HD1      ILE  22   1.495   6.411  -0.424
  186   2HD1  ILE  22          2HD1      ILE  22   0.995   5.320  -1.717
  187   3HD1  ILE  22          3HD1      ILE  22   1.868   4.691  -0.319
  188    H    THR  23           H        THR  23   1.216   3.666   2.051
  189    HA   THR  23           HA       THR  23   2.917   1.696   1.102
  190    HB   THR  23           HB       THR  23   3.161   3.194   3.723
  191    HG1  THR  23           HG1      THR  23   3.877   3.863   1.073
  192   1HG2  THR  23          1HG2      THR  23   4.814   1.501   3.744
  193   2HG2  THR  23          2HG2      THR  23   5.618   2.999   3.272
  194   3HG2  THR  23          3HG2      THR  23   5.224   1.788   2.053
  195    H    LEU  24           H        LEU  24   0.581   1.440   3.634
  196    HA   LEU  24           HA       LEU  24   1.723  -1.131   4.499
  197   1HB   LEU  24          1HB       LEU  24   0.113  -0.976   6.388
  198   2HB   LEU  24          2HB       LEU  24   1.288   0.328   6.356
  199    HG   LEU  24           HG       LEU  24  -0.733   1.403   4.921
  200   1HD1  LEU  24          1HD1      LEU  24  -2.366   0.453   7.137
  201   2HD1  LEU  24          2HD1      LEU  24  -1.951  -0.801   5.967
  202   3HD1  LEU  24          3HD1      LEU  24  -2.770   0.669   5.432
  203   1HD2  LEU  24          1HD2      LEU  24   0.557   2.420   6.774
  204   2HD2  LEU  24          2HD2      LEU  24  -0.478   1.565   7.917
  205   3HD2  LEU  24          3HD2      LEU  24  -1.167   2.783   6.845
  206    H    HIS  25           H        HIS  25  -1.310   0.396   3.427
  207    HA   HIS  25           HA       HIS  25  -2.795  -2.003   3.327
  208   1HB   HIS  25          1HB       HIS  25  -4.476  -0.562   3.035
  209   2HB   HIS  25          2HB       HIS  25  -3.335   0.753   2.884
  210    HD1  HIS  25           HD1      HIS  25  -5.115  -1.780   0.679
  211    HD2  HIS  25           HD2      HIS  25  -3.341   1.975   0.477
  212    HE1  HIS  25           HE1      HIS  25  -5.631  -0.869  -1.619
  213    H    GLU  26           H        GLU  26  -0.591  -0.448   1.095
  214    HA   GLU  26           HA       GLU  26  -1.347  -1.970  -1.199
  215   1HB   GLU  26          1HB       GLU  26  -0.036   0.145  -1.314
  216   2HB   GLU  26          2HB       GLU  26   1.321  -0.682  -0.563
  217   1HG   GLU  26          1HG       GLU  26   1.689  -0.551  -2.921
  218   2HG   GLU  26          2HG       GLU  26   1.390  -2.232  -2.480
  219    H    LEU  27           H        LEU  27   0.450  -2.614   1.682
  220    HA   LEU  27           HA       LEU  27   1.586  -5.061   0.495
  221   1HB   LEU  27          1HB       LEU  27   2.269  -3.530   2.998
  222   2HB   LEU  27          2HB       LEU  27   2.892  -5.137   2.678
  223   1HD1  LEU  27          1HD1      LEU  27   4.346  -5.561   0.796
  224   2HD1  LEU  27          2HD1      LEU  27   5.130  -4.228  -0.054
  225   3HD1  LEU  27          3HD1      LEU  27   3.461  -4.656  -0.434
  226   1HD2  LEU  27          1HD2      LEU  27   4.120  -1.587   0.886
  227   2HD2  LEU  27          2HD2      LEU  27   2.436  -1.894   1.318
  228   3HD2  LEU  27          3HD2      LEU  27   3.060  -2.432  -0.242
  229    H    LEU  28           H        LEU  28   0.718  -4.474   3.892
  230    HA   LEU  28           HA       LEU  28  -0.902  -6.926   3.812
  231   1HB   LEU  28          1HB       LEU  28   0.993  -5.804   5.710
  232   2HB   LEU  28          2HB       LEU  28  -0.521  -6.237   6.478
  233    HG   LEU  28           HG       LEU  28   1.142  -8.046   6.591
  234   1HD1  LEU  28          1HD1      LEU  28  -1.250  -8.570   6.603
  235   2HD1  LEU  28          2HD1      LEU  28  -0.304  -9.844   5.833
  236   3HD1  LEU  28          3HD1      LEU  28  -1.224  -8.709   4.846
  237   1HD2  LEU  28          1HD2      LEU  28   0.858  -8.216   3.596
  238   2HD2  LEU  28          2HD2      LEU  28   1.867  -9.223   4.635
  239   3HD2  LEU  28          3HD2      LEU  28   2.247  -7.513   4.426
  240    H    GLY  29           H        GLY  29  -2.528  -6.817   5.872
  241   1HA   GLY  29          1HA       GLY  29  -4.196  -4.432   5.370
  242   2HA   GLY  29          2HA       GLY  29  -4.821  -6.018   5.793
  243    H    GLU  30           H        GLU  30  -4.068  -2.985   6.963
  244    HA   GLU  30           HA       GLU  30  -3.537  -3.876   9.692
  245   1HB   GLU  30          1HB       GLU  30  -3.729  -1.064   8.596
  246   2HB   GLU  30          2HB       GLU  30  -3.168  -1.515  10.200
  247   1HG   GLU  30          1HG       GLU  30  -1.826  -1.932   7.554
  248   2HG   GLU  30          2HG       GLU  30  -1.226  -1.086   8.979
  249    H    GLU  31           H        GLU  31  -5.955  -1.935   7.931
  250    HA   GLU  31           HA       GLU  31  -7.638  -1.484  10.156
  251   1HB   GLU  31          1HB       GLU  31  -8.070  -1.373   7.182
  252   2HB   GLU  31          2HB       GLU  31  -9.399  -1.105   8.303
  253   1HG   GLU  31          1HG       GLU  31  -8.800   1.022   8.398
  254   2HG   GLU  31          2HG       GLU  31  -7.326   0.519   9.223
  255    H    ARG  32           H        ARG  32  -9.654  -2.433  10.693
  256    HA   ARG  32           HA       ARG  32  -9.669  -5.252  10.679
  257   1HB   ARG  32          1HB       ARG  32 -11.607  -3.141  11.537
  258   2HB   ARG  32          2HB       ARG  32 -12.153  -4.809  11.444
  259   1HG   ARG  32          1HG       ARG  32 -11.497  -4.581  13.651
  260   2HG   ARG  32          2HG       ARG  32 -10.099  -5.347  12.894
  261   1HD   ARG  32          1HD       ARG  32  -8.859  -3.366  12.908
  262   2HD   ARG  32          2HD       ARG  32 -10.290  -2.364  13.148
  263    HE   ARG  32           HE       ARG  32  -8.769  -3.759  15.175
  264   1HH1  ARG  32          1HH1      ARG  32 -11.785  -2.154  14.399
  265   2HH1  ARG  32          2HH1      ARG  32 -12.179  -1.832  16.053
  266   1HH2  ARG  32          1HH2      ARG  32  -9.296  -3.335  17.349
  267   2HH2  ARG  32          2HH2      ARG  32 -10.766  -2.502  17.729
  268    H    ARG  33           H        ARG  33  -9.989  -6.459   8.938
  269    HA   ARG  33           HA       ARG  33 -10.884  -7.358   7.065
  270   1HB   ARG  33          1HB       ARG  33 -13.277  -5.887   8.139
  271   2HB   ARG  33          2HB       ARG  33 -13.361  -6.784   6.630
  272   1HG   ARG  33          1HG       ARG  33 -12.456  -8.765   7.986
  273   2HG   ARG  33          2HG       ARG  33 -12.904  -7.815   9.404
  274   1HD   ARG  33          1HD       ARG  33 -14.885  -8.257   7.207
  275   2HD   ARG  33          2HD       ARG  33 -14.592  -9.522   8.396
  276    HE   ARG  33           HE       ARG  33 -15.531  -8.173  10.052
  277   1HH1  ARG  33          1HH1      ARG  33 -15.483  -6.511   6.965
  278   2HH1  ARG  33          2HH1      ARG  33 -16.596  -5.288   7.472
  279   1HH2  ARG  33          1HH2      ARG  33 -16.999  -6.560  10.706
  280   2HH2  ARG  33          2HH2      ARG  33 -17.458  -5.315   9.594