*HEADER    STRUCTURAL PROTEIN                      02-DEC-08   2KBL              
*TITLE     NMR STRUCTURE OF A MONOMERIC FOLDING INTERMEDIATE REVEALS             
*TITLE    2 THE STRUCTURAL BASIS FOR RAPID ASSEMBLY OF AN EVOLUTIONARY           
*TITLE    3 OPTIMIZED TRIMERIZATION MODULE                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FIBRITIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN, UNP RESIDUES 458-484;                   
*COMPND   5 SYNONYM: WHISKER ANTIGEN CONTROL PROTEIN, COLLAR PROTEIN;            
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4;                        
*SOURCE   3 ORGANISM_COMMON: BACTERIOPHAGE T4;                                   
*SOURCE   4 ORGANISM_TAXID: 10665;                                               
*SOURCE   5 GENE: WAC;                                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET32A                                     
*KEYWDS    FOLDING INTERMEDIATE, MONOMER OF FOLDON, FIBRITIN, TRIMER,            
*KEYWDS   2 PROTEIN ASSEMBLY, PROTEIN-PROTEIN INTERACTION,                       
*KEYWDS   3 ELECTROSTATIC INTERACTION, COILED COIL, STRUCTURAL PROTEIN           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    J.HABAZETTL, A.REINER, T.KIEFHABER                                    
*REVDAT   1   28-APR-09 2KBL    0                                                


! ILE 3
assign (residue 3 and name HB) (residue 3 and name HN)   3 1 0.5
assign (residue 3 and name HA) (residue 3 and name HB)   3 1 0.5

!ARG 5   {P4|P7|R5|T25 HA}
assign (residue 5 and name HB1) (residue 5 and name HN) 2 0 0.7
assign (residue 5 and name HB2) (residue 5 and name HN) 2 0 0.7
assign (residue 5 and name HA) (residue 5 and name HB1) 4 1 0.5  
assign (residue 5 and name HA) (residue 5 and name HB2) 2 0 0.7

!ARG 8
assign (residue 8 and name HA) (residue 8 and name HB1) 2 0 0.7
assign (residue 8 and name HA) (residue 8 and name HB2) 2 0 0.7
assign (residue 8 and name HB1) (residue 8 and name HN) 2 0 0.7
assign (residue 8 and name HB2) (residue 8 and name HN) 4 1 0.5

! ASP 9
assign (residue 9 and name HA) (residue 9 and name HB1) 2 0 0.7 
assign (residue 9 and name HA) (residue 9 and name HB2) 2 0 0.7 
assign (residue 9 and name HB1) (residue 9 and name HN) 2 0 0.7
assign (residue 9 and name HB2) (residue 9 and name HN) 4 1 0.5 

! GLN 11
assign (residue 11 and name HA) (residue 11 and name HB1) 3 1 0.5
assign (residue 11 and name HA) (residue 11 and name HB2) 3 1 0.5 
assign (residue 11 and name HB1) (residue 11 and name HN) 3 1 0.5
assign (residue 11 and name HB2) (residue 11 and name HN) 3 1 0.5

! TYR 13
assign (residue 13 and name HA) (residue 13 and name HB1) 2 0 0.7 
assign (residue 13 and name HA) (residue 13 and name HB2) 4 1 0.5
assign (residue 13 and name HN) (residue 13 and name HB1) 4 1 0.5 
assign (residue 13 and name HN) (residue 13 and name HB2) 2 0 0.7
assign (residue 13 and name HN) (residue 13 and name HD#) 3 1 3

! ARG 15   {R15 HA/K16 HA}
assign (residue 15 and name HG1) (residue 15 and name HN) 3 1 2
assign (residue 15 and name HG2) (residue 15 and name HN) 2 0 3

! LYS 16  {K16 HA/R15 HA}
assign (residue 16 and name HD#) (residue 16 and name HN) 4 2 2

!GLY 18
assign (residue 18 and name HA1) (residue 18 and name HN) 2 0 0.7
assign (residue 18 and name HA2) (residue 18 and name HN) 2 0 0.7 

! GLU 19
assign (residue 19 and name HA) (residue 19 and name HB1) 2 0 0.7 
assign (residue 19 and name HA) (residue 19 and name HB2) 4 1 0.5 
assign (residue 19 and name HN) (residue 19 and name HB1) 4 1 0.5
assign (residue 19 and name HN) (residue 19 and name HB2) 2 0 0.7

! TRP 20
assign (residue 20 and name HA) (residue 20 and name HB1) 2 0 0.7
assign (residue 20 and name HA) (residue 20 and name HB2) 4 1 0.5
assign (residue 20 and name HN) (residue 20 and name HB1) 4 1 0.5
assign (residue 20 and name HN) (residue 20 and name HB2) 2 0 0.7
assign (residue 20 and name HA) (residue 20 and name HE3) 3 1 2
assign (residue 20 and name HN) (residue 20 and name HD1) 3 1 2
assign (residue 20 and name HE3) (residue 20 and name HN) 4 2 1   

!LEU 22
assign (residue 22 and name HA) (residue 22 and name HB1) 3 1 0.5
assign (residue 22 and name HA) (residue 22 and name HB2) 2 0 0.7
assign (residue 22 and name HN) (residue 22 and name HB1) 2 0 0.7
assign (residue 22 and name HN) (residue 22 and name HB2) 2 0 0.7
assign (residue 22 and name HA) (residue 22 and name HD1#) 4 2 2
assign (residue 22 and name HA) (residue 22 and name HD2#) 4 2 2
assign (residue 22 and name HB2) (residue 22 and name HD1#) 3 1 1.6
assign (residue 22 and name HB2) (residue 22 and name HD2#) 3 1 1.6

!LEU 23  {L23 HB2/L27 HB# | L23 HD1#/L27 HD1#}
assign (residue 23 and name HA) (residue 23 and name HB1) 3 1 0.5
assign (residue 23 and name HA) (residue 23 and name HB2) 3 1 0.5
assign (residue 23 and name HG) (residue 23 and name HN) 2 0 0.7 
assign (residue 23 and name HA) (residue 23 and name HG) 3 1 0.5
assign (residue 23 and name HD1#) (residue 23 and name HN) 3 1 1.6 
assign (residue 23 and name HD2#) (residue 23 and name HN) 3 1 1.6

!SER 24
assign (residue 24 and name HA) (residue 24 and name HB1) 2 0 0.7
assign (residue 24 and name HA) (residue 24 and name HB2) 2 0 0.7 
assign (residue 24 and name HN) (residue 24 and name HB1) 2 0 0.7
assign (residue 24 and name HN) (residue 24 and name HB2) 4 1 0.5 

!THR 25
assign (residue 25 and name HA) (residue 25 and name HG2#) 3 1 2
assign (residue 25 and name HB) (residue 25 and name HN) 3 1 0.5
assign (residue 25 and name HG2#) (residue 25 and name HN) 3 1 2

!PHE 26 {F26 HN/I3 HN}
assign (residue 26 and name HA) (residue 26 and name HB1) 2 0 0.7
assign (residue 26 and name HA) (residue 26 and name HB2) 4 1 0.5
assign (residue 26 and name HN) (residue 26 and name HB1) 4 1 0.5
assign (residue 26 and name HN) (residue 26 and name HB2) 2 0 0.7
assign (residue 26 and name HD#) (residue 26 and name HN) 3 1 2.5

! TYR 2  HN is missing
assign (residue 2 and name HA) (residue 3 and name HN) 2 0 0.5 
assign (residue 2 and name HA) (residue 3 and name HG1#) 4 2 2   
assign (residue 2 and name HA) (residue 3 and name HB) 4 2 1   

! ILE 3
assign (residue 3 and name HA) (residue 4 and name HG#) 4 2 2   
assign (residue 3 and name HA) (residue 4 and name HD1) 2 0 0.5 
assign (residue 3 and name HA) (residue 4 and name HD2) 2 0 0.5 
assign (residue 3 and name HB) (residue 4 and name HD1) 4 2 2
assign (residue 3 and name HB) (residue 4 and name HD2) 4 2 2

! PRO 4   {P4|P7|R5|T25 HA}
assign (residue 4 and name HD1) (residue 3 and name HG2#) 4 2 2
assign (residue 4 and name HD2) (residue 3 and name HG2#) 4 2 2 
assign (residue 4 and name HB#) (residue 5 and name HN) 3 1 2
assign (residue 4 and name HG#) (residue 5 and name HN) 3 1 2

assign (residue 5 and name HA) (residue 6 and name HB#) 4 2 2

!ALA 6
assign (residue 6 and name HA) (residue 7 and name HG#) 4 2 2.0   
assign (residue 6 and name HA) (residue 7 and name HD#) 2 0 1.5 
assign (residue 7 and name HD2) (residue 6 and name HB#) 4 2 2 
assign (residue 7 and name HD1) (residue 6 and name HB#) 4 2 2 

!   PRO 7
assign (residue 7 and name HB#) (residue 8 and name HN) 3 1 2   {HB# degenerate}
assign (residue 7 and name HG#) (residue 8 and name HN) 3 1 2   {HG# degenerate}
assign (residue 7 and name HA) (residue 8 and name HN) 2 0 0.7 
assign (residue 8 and name HA) (residue 7 and name HG#) 4 2 2 

!ARG 8
assign (residue 9 and name HA) (residue 8 and name HN) 4 2 1 
assign (residue 9 and name HN) (residue 8 and name HN) 3 1 0.5

! ASP 9
assign (residue 8 and name HA) (residue 9 and name HN) 2 0 0.7 
assign (residue 8 and name HB1) (residue 9 and name HN) 3 1 1
assign (residue 8 and name HB2) (residue 9 and name HN) 3 1 1

!GLY 10
assign (residue 9 and name HN) (residue 10 and name HN) 3 1 0.5 
assign (residue 9 and name HB1) (residue 10 and name HN) 4 2 1   
assign (residue 9 and name HB2) (residue 10 and name HN) 4 2 1   
assign (residue 10 and name HA1) (residue 11 and name HN) 3 1 0.5 
assign (residue 10 and name HA2) (residue 11 and name HN) 3 1 0.5
assign (residue 10 and name HN) (residue 11 and name HN) 3 1 0.5

! GLN 11
assign (residue 11 and name HA) (residue 12 and name HN) 2 0 0.7 
assign (residue 11 and name HA) (residue 12 and name HB#) 4 2 2   {ol}
assign (residue 11 and name HB#) (residue 12 and name HN) 3 1 2
assign (residue 11 and name HG1) (residue 12 and name HN) 4 2 1   
assign (residue 11 and name HG2) (residue 12 and name HN) 4 2 1 

! ALA 12  {A12 HN / R8 HN}
assign (residue 12 and name HN) (residue 11 and name HN) 3 1 0.5
assign (residue 12 and name HB#) (residue 11 and name HN) 4 2 2   
assign (residue 12 and name HB#) (residue 13 and name HE#) 4 2 4.4   
assign (residue 12 and name HA) (residue 13 and name HD#) 3 1 2.6
assign (residue 12 and name HB#) (residue 13 and name HD#) 4 2 4.4

! TYR 13  {Y13 HN is weak due to exchange}
assign (residue 13 and name HD#) (residue 12 and name HN) 4 2 3.4    
assign (residue 13 and name HE#) (residue 12 and name HN) 4 2 3.4   
assign (residue 13 and name HD#) (residue 14 and name HN) 4 2 3.4   

! VAL 14  HN is weak due to exchange  V14 HG1#/V21 HG2#
assign (residue 14 and name HA) (residue 13 and name HD#) 4 2 3.1   

assign (residue 14 and name HG1#) (residue 15 and name HN) 4 2 2
assign (residue 14 and name HG2#) (residue 15 and name HN) 4 2 2
assign (residue 14 and name HG1#) (residue 15 and name HA) 4 2 2
assign (residue 14 and name HG2#) (residue 15 and name HA) 4 2 2  

! ARG 15   {R15 HA/K16 HA}
assign (residue 15 and name HB#) (residue 16 and name HN) 3 1 2    
assign (residue 15 and name HG#) (residue 16 and name HN) 4 2 2    
assign (residue 15 and name HD#) (residue 16 and name HN) 4 2 2      

! LYS 16  {K16 HA/R15 HA}
assign (residue 16 and name HG2) (residue 17 and name HN) 4 2 1   
assign (residue 16 and name HG1) (residue 17 and name HN) 4 2 1   
assign (residue 16 and name HA) (residue 17 and name HN) 3 1 0.5

! ASP 17 HN is weak due to exchange  no further noes from HB to any other proton
assign (residue 17 and name HN) (residue 16 and name HN) 4 2 0.5   

! GLU 19 no other noes
assign (residue 19 and name HA) (residue 20 and name HD1) 4 2 1   
assign (residue 19 and name HB1) (residue 20 and name HN) 3 1 0.5  
assign (residue 19 and name HB2) (residue 20 and name HN) 4 2 1 
assign (residue 19 and name HG1) (residue 20 and name HN) 4 2 1   
assign (residue 19 and name HG2) (residue 20 and name HN) 4 2 1   

! TRP 20 no other noes from HA or HB to further protons
assign (residue 20 and name HA) (residue 21 and name HG#) 3 1 2.3 

! VAL 21  HN weaker due to exchange  V21 HG2#/V14 HG1# no further noes
assign (residue 21 and name HG#) (residue 22 and name HN) 4 2 3.3 
assign (residue 21 and name HA) (residue 22 and name HB1) 4 2 1   
assign (residue 21 and name HA) (residue 22 and name HB2) 4 2 1   
assign (residue 21 and name HG#) (residue 20 and name HZ3) 4 2 3.3  

!LEU 22
assign (residue 22 and name HG) (residue 23 and name HN) 4 2 1       
assign (residue 22 and name HD1#) (residue 23 and name HN) 4 2 2
assign (residue 22 and name HD2#) (residue 23 and name HN) 4 2 2

!LEU 23  {L23 HB2/L27 HB# | L23 HD1#/L27 HD1#}
assign (residue 23 and name HN) (residue 24 and name HN) 3 1 1.5   
assign (residue 23 and name HB1) (residue 24 and name HN) 3 1 0.5
assign (residue 23 and name HB2) (residue 24 and name HN) 3 1 1.5 
assign (residue 23 and name HD1#) (residue 24 and name HN) 3 1 2  
assign (residue 23 and name HD2#) (residue 24 and name HN) 3 1 2
assign (residue 23 and name HG) (residue 24 and name HN) 3 1 1 

!SER 24
assign (residue 24 and name HA) (residue 25 and name HN) 3 1 0.5
assign (residue 24 and name HB1) (residue 25 and name HN) 3 1 0.5
assign (residue 24 and name HB2) (residue 25 and name HN) 3 1 0.5
assign (residue 24 and name HN) (residue 25 and name HN) 3 1 0.5
assign (residue 24 and name HA) (residue 25 and name HG2#) 4 2 2   
assign (residue 24 and name HB1) (residue 23 and name HD1#) 4 2 2
assign (residue 24 and name HB1) (residue 23 and name HD2#) 4 2 2

!THR 25
assign (residue 25 and name HA) (residue 24 and name HB2) 3 1 1   
assign (residue 25 and name HA) (residue 26 and name HN) 3 1 0.5
assign (residue 25 and name HB) (residue 26 and name HN) 3 1 0.5
assign (residue 25 and name HG2#) (residue 26 and name HN) 4 2 2
assign (residue 25 and name HB) (residue 26 and name HE#) 4 2 2.5   
assign (residue 25 and name HG2#) (residue 26 and name HD#) 4 2 3.5   
assign (residue 25 and name HG2#) (residue 26 and name HE#) 4 2 3.5

!PHE 26 {F26 HN/I3 HN}
assign (residue 26 and name HN) (residue 25 and name HN) 3 1 0.5
assign (residue 26 and name HD#) (residue 25 and name HN) 4 2 3.1   
assign (residue 26 and name HA) (residue 27 and name HN) 3 1 0.5
assign (residue 26 and name HN) (residue 27 and name HN) 3 1 0.5
assign (residue 26 and name HA) (residue 27 and name HB#) 4 2 2   
assign (residue 26 and name HB1) (residue 27 and name HN) 4 2 1   
assign (residue 26 and name HB2) (residue 27 and name HN) 4 2 1   
assign (residue 26 and name HB1) (residue 27 and name HD#) 4 2 3.3   
assign (residue 26 and name HB2) (residue 27 and name HD#) 4 2 3.3   

!LEU 27  L27 HB#| L23 HB2
assign (residue 27 and name HB#) (residue 26 and name HN) 4 2 1.5   
assign (residue 27 and name HA) (residue 26 and name HD#) 4 2 3.1   


!turn  1:K16   2:D17   3:G18   4:E19
!noes to 17HN very weak due to exchange

assign (residue 17  and name  HN) ( residue 17 and name HA ) 2.7 0.3 0.3  
assign (residue 18  and name  HN) ( residue 18 and name HA1 ) 2.2 0.3 0.5  
assign (residue 18  and name  HN) ( residue 18 and name HA2 ) 2.2 0.3 0.5  
assign (residue 17  and name  HN) ( residue 17 and name HB# ) 2.0 0.3 2.4  

assign (residue 17  and name  HA) ( residue 18 and name HN ) 2.2 0.3 0.8  
assign (residue 18  and name  HA1) ( residue 19 and name HN ) 3.2 0.3 0.4  
assign (residue 18  and name  HA2) ( residue 19 and name HN ) 3.2 0.3 0.4  
assign (residue 17  and name  HA) ( residue 19 and name HN )  4 2 0.5     
assign (residue 17  and name  HN) ( residue 18 and name HN ) 4 2 0.5      
assign (residue 18  and name  HN) ( residue 19 and name HN ) 2.4 0.3 0.3  
assign (residue 17  and name  HN) ( residue 19 and name HN ) 4 2 2        
assign (residue 17  and name  HA) ( residue 18 and name HA#) 4.3 0.3 2    
assign (residue 17  and name  HB#) ( residue 18 and name HA1 ) 4.5 0 5      
assign (residue 17  and name  HB#) ( residue 18 and name HA2 ) 4.5 0 5     
assign (residue 17  and name  HB1) ( residue 18 and name HN ) 3.6 0.3 1    
assign (residue 17  and name  HB2) ( residue 18 and name HN ) 3.6 0.3 1        
assign (residue 16  and name  HA) ( residue 19 and name HN ) 4 0.3 0.7        

assign (residue 16  and name  HN) ( residue 19 and name HN ) 3 1 0.3       

{d HN-HA  (i,i) 2.8}
assign (residue 12  and name HN) (residue 12 and name HA) 2.8 0.5 0.5
assign (residue 13  and name HN) (residue 13 and name HA) 2.8 0.5 0.5
assign (residue 19  and name HN) (residue 19 and name HA) 2.8 0.5 0.5
assign (residue 20  and name HN) (residue 20 and name HA) 2.8 0.5 0.5
assign (residue 21  and name HN) (residue 21 and name HA) 2.8 0.5 0.5
assign (residue 22  and name HN) (residue 22 and name HA) 2.8 0.5 0.5
assign (residue 23  and name HN) (residue 23 and name HA) 2.8 0.5 0.5

{d HN HB  (i,i) 2.6-3.8  these noes are set in intra.tbl} 
assign (residue 12  and name HN) (residue 12 and name HB#) 2.6 0.3 2.2
assign (residue 14  and name HN) (residue 14 and name HB)  2.6 0.3 1.2
assign (residue 16  and name HN) (residue 16 and name HB#) 2.6 0.3 2.2
assign (residue 21  and name HN) (residue 21 and name HB)  2.6 0.3 1.2

{d HA-HN  2.2}
assign (residue 12  and name HA) (residue 13 and name HN) 2.2 0.3 0.5  
assign (residue 13  and name HA) (residue 14 and name HN) 2.2 0.3 0.5 
assign (residue 14  and name HA) (residue 15 and name HN) 2.2 0.3 0.5
assign (residue 15  and name HA) (residue 16 and name HN) 2.2 0.3 0.5   
assign (residue 19  and name HA) (residue 20 and name HN) 2.2 0.3 0.5
assign (residue 20  and name HA) (residue 21 and name HN) 2.2 0.3 0.5 
assign (residue 21  and name HA) (residue 22 and name HN) 2.2 0.3 0.5 
assign (residue 22  and name HA) (residue 23 and name HN) 2.2 0.3 0.5 

{d HN-HA  4.7}
assign (residue 15  and name HN) (residue 16 and name HA) 4.7 0.3 4.3  
assign (residue 20  and name HN) (residue 21 and name HA) 4.7 0.3 4.5   
assign (residue 22  and name HN) (residue 23 and name HA) 4.7 0.3 0.3 

{d HN-HN  4.3}
assign (residue 12  and name HN) (residue 13 and name HN) 4.3 0.3 0.7  
assign (residue 15  and name HN) (residue 16 and name HN) 4.3 0.3 0.7 
assign (residue 19  and name HN) (residue 20 and name HN) 4.3 0.3 0.7 
assign (residue 22  and name HN) (residue 23 and name HN) 4.3 0.3 0.7    

{d HA-HA  4.3   in water}

{d HA-HB  4.0-5.6}
assign (residue 19  and name HA) (residue 20 and name HB2) 4 0.3 1   
assign (residue 19  and name HA) (residue 20 and name HB1) 4.5 0.5 2   
assign (residue 20  and name HA) (residue 21 and name HB) 4 0.3 1

{d HB-HA  4.2-5.7}
assign (residue 12  and name HB#) (residue 13 and name HA) 4.2 0.3 2.5
assign (residue 15  and name HB#) (residue 16 and name HA) 4.2 0.3 2.5 
assign (residue 20  and name HB2) (residue 21 and name HA) 4.2 0.3 1  
assign (residue 20  and name HB1) (residue 21 and name HA) 4.2 0.3 3  
assign (residue 22  and name HB#) (residue 23 and name HA) 4.2 0.3 2.5 

{d HB-HN  3.2-4.5}
assign (residue 12  and name HB#) (residue 13 and name HN) 3.2 0.3 2.3
assign (residue 13  and name HB1) (residue 14 and name HN) 3.2 0.3 1.6     
assign (residue 13  and name HB2) (residue 14 and name HN) 3.2 0.3 1.6     
assign (residue 14  and name HB) (residue 15 and name HN)  3.2 0.3 0.5 
assign (residue 21  and name HB) (residue 22 and name HN)  3.2 0.3 0.5 
assign (residue 22  and name HB#) (residue 23 and name HN) 3.2 0.3 2.3  

{d HA-HN (i,j)  3.2}
assign (residue 13  and name HA) (residue 23 and name HN) 3.2 0.5 0.5

{d HN-HN (i,j)  3.3}
assign (residue 12  and name HN) (residue 23 and name HN) 3.3 0.5 0.5
assign (residue 16  and name HN) (residue 19 and name HN) 3.3 0.5 0.5 

{d HA-HA (i,j)  2.3}
assign (residue 22  and name HA) (residue 13 and name HA) 2.3 0.5 0.5


{hydrogen bonds HN-O 2.95A}
assign (residue 19  and name N) (residue 16 and name O) 3.3 0.5 0.2 
assign (residue 19  and name HN) (residue 16 and name O) 2.3 0.5 0.2
assign (residue 16  and name N) (residue 19 and name O) 3.3 0.5 0.2 
assign (residue 16  and name HN) (residue 19 and name O) 2.3 0.5 0.2 

assign (residue 14  and name N) (residue 21 and name O) 3.3 0.5 0.2 
assign (residue 14  and name HN) (residue 21 and name O) 2.3 0.5 0.2
assign (residue 21  and name N) (residue 14 and name O) 3.3 0.5 0.2 
assign (residue 21  and name HN) (residue 14 and name O) 2.3 0.5 0.2


assign (residue 23  and name N) (residue 12 and name O) 3.3 0.5 0.2
assign (residue 23  and name HN) (residue 12 and name O) 2.3 0.5 0.2
assign (residue 22 and name HA) (residue 12 and name HB#) 4 2 2      
assign (residue 22 and name HD1#) (residue 12 and name HN) 4 2 2  
assign (residue 22 and name HD2#) (residue 12 and name HN) 4 2 2  
assign (residue 12 and name HB#) (residue 22 and name HD1#) 4 2 3
assign (residue 12 and name HB#) (residue 22 and name HD2#) 4 2 3

assign (residue 12 and name HB#) (residue 23 and name HN) 4 2 2   
assign (residue 12 and name HB#) (residue 23 and name HD1#) 4 2 3  
assign (residue 12 and name HB#) (residue 23 and name HD2#) 4 2 3 

assign (residue 22 and name HA) (residue 13 and name HD#) 3 1 3
assign (residue 22 and name HA) (residue 13 and name HE#) 3 1 3
assign (residue 22 and name HB1) (residue 13 and name HD#) 3 1 3
assign (residue 22 and name HB1) (residue 13 and name HE#) 3 1 3
assign (residue 22 and name HB2) (residue 13 and name HD#) 3 1 3
assign (residue 22 and name HB2) (residue 13 and name HE#) 3 1 3
assign (residue 22 and name HG) (residue 13 and name HD#) 3 1 3
assign (residue 22 and name HG) (residue 13 and name HE#) 3 1 3
assign (residue 22 and name HD1#) (residue 13 and name HD#) 4 2 4
assign (residue 22 and name HD2#) (residue 13 and name HD#) 4 2 4
assign (residue 22 and name HD1#) (residue 13 and name HE#) 4 2 4
assign (residue 22 and name HD2#) (residue 13 and name HE#) 4 2 4
assign (residue 13 and name HD#) (residue 22 and name HN) 3 1 3 
assign (residue 13 and name HE#) (residue 22 and name HN) 3 1 3 
assign (residue 13 and name HA) (residue 22 and name HD#) 4 2 3.3   

assign (residue 13 and name HB2) (residue 20 and name HE3) 3 1 2  
assign (residue 13 and name HD#) (residue 20 and name HE3) 3 1 3  
assign (residue 13 and name HB2) (residue 20 and name HZ3) 4 2 1  
assign (residue 20 and name HA) (residue 13 and name HD#) 3 1 3
assign (residue 20 and name HB2) (residue 13 and name HD#) 3 1 3
assign (residue 20 and name HB2) (residue 13 and name HE#) 3 1 3
assign (residue 20 and name HB2) (residue 13 and name HB2) 4 2 1   

assign (residue 21 and name HG1#) (residue 13 and name HD#) 4 2 3 
assign (residue 21 and name HG2#) (residue 13 and name HD#) 3 2 3  
assign (residue 21 and name HG1#) (residue 13 and name HE#) 4 2 3  
assign (residue 21 and name HG2#) (residue 13 and name HE#) 4 2 3
assign (residue 21 and name HA) (residue 13 and name HD#) 3 1 3  
assign (residue 21 and name HA) (residue 13 and name HE#) 3 1 3  

assign (residue 14 and name HA) (residue 20 and name HE3) 4 2 1   
assign (residue 14 and name HG#) (residue 13 and name HD#) 4 2 4.4

assign (residue 15 and name HN) (residue 20 and name HE3) 4 2 1   
assign (residue 15 and name HA) (residue 20 and name HE3) 3 1 2   
assign (residue 15 and name HN) (residue 20 and name HZ3) 3 1 2


assign (residue 16 and name HE#) (residue 14 and name HG1#) 4 2 3
assign (residue 16 and name HE#) (residue 14 and name HG2#) 4 2 3  
assign (residue 14 and name HG2#) (residue 16 and name HN) 4 2 2  
assign (residue 14 and name HG1#) (residue 16 and name HN) 4 2 2 
assign (residue 21 and name HG1#) (residue 16 and name HB#) 4 2 3 
assign (residue 21 and name HG2#) (residue 16 and name HB#) 4 2 3  

assign (residue 16 and name HA) (residue 18 and name HN) 3 1 2   
assign (residue 20 and name HA) (residue 16 and name HN) 3 1 2 
assign (residue 16 and name HA) (residue 19 and name HG#) 4 2 2.5    

assign (residue 21 and name HG2#) (residue 19 and name HN) 4 2 2  
assign (residue 21 and name HG1#) (residue 19 and name HB2) 4 2 2   
assign (residue 21 and name HG2#) (residue 19 and name HB2) 4 2 2

assign (residue 21 and name HB) (residue 14 and name HG#) 4 2 3.3
assign (residue 3 and name HD1#) (residue 16 and name HN) 4 2 2   
assign (residue 3 and name HG2#) (residue 6 and name HN) 4 2 2.0 
assign (residue 3 and name HG2#) (residue 20 and name HE1) 4 2 2   


! PRO 4  
assign (residue 4 and name HA) (residue 2 and name HD#) 4 2 3  
assign (residue 4 and name HA) (residue 2 and name HE#) 3 1 3  
assign (residue 4 and name HB#) (residue 2 and name HE#) 3 1 4.1
assign (residue 4 and name HD1) (residue 2 and name HD#) 4 2 3   
assign (residue 4 and name HD2) (residue 2 and name HD#) 4 2 3  
assign (residue 4 and name HG#) (residue 2 and name HD#) 4 2 4.1 
assign (residue 4 and name HG#) (residue 2 and name HE#) 4 2 4.1 

assign (residue 4 and name HG#) (residue 20 and name HD1) 4 2 2   
assign (residue 4 and name HD1) (residue 20 and name HD1) 4 2 1   
assign (residue 4 and name HD2) (residue 20 and name HD1) 4 2 1   
assign (residue 4 and name HB#) (residue 20 and name HD1) 4 2 2   

!ALA 6
assign (residue 6 and name HB#) (residue 13 and name HD#) 3 1 3 
assign (residue 6 and name HB#) (residue 13 and name HE#) 4 2 3   
assign (residue 6 and name HB#) (residue 13 and name HB2) 4 2 2   

!   PRO 7
assign (residue 7 and name HG1) (residue 13 and name HE#) 3 1 3 
assign (residue 7 and name HG2) (residue 13 and name HE#) 3 1 3 
assign (residue 7 and name HG1) (residue 13 and name HD#) 4 2 3   
assign (residue 7 and name HG2) (residue 13 and name HD#) 4 2 3   
assign (residue 7 and name HB#) (residue 13 and name HD#) 4 2 4   
assign (residue 7 and name HB#) (residue 13 and name HE#) 4 2 4    
assign (residue 7 and name HD1) (residue 13 and name HE#) 4 2 3    
assign (residue 7 and name HD2) (residue 13 and name HE#) 4 2 3   
assign (residue 7 and name HD#) (residue 13 and name HD#) 4 2 4    

assign (residue 7 and name HD#) (residue 20 and name HD1) 4 2 2    
assign (residue 7 and name HG#) (residue 20 and name HB1) 4 2 2    
assign (residue 7 and name HD#) (residue 20 and name HB1) 4 2 2   

!ARG 8  {|12 HN}
assign (residue 8 and name HA) (residue 11 and name HN) 4 2 1

! ASP 9
assign (residue 13 and name HE#) (residue 9 and name HN) 4 2 3   
assign (residue 13 and name HD#) (residue 9 and name HN) 4 2 3   

! GLN 11
assign (residue 9 and name HA) (residue 11 and name HN) 3 1 1 
assign (residue 9 and name HN) (residue 11 and name HN) 4 2 1

assign (residue 13 and name HE#) (residue 11 and name HN) 4 2 3   
assign (residue 11 and name HA) (residue 13 and name HE#) 4 2 3   
assign (residue 11 and name HB1) (residue 13 and name HD#) 4 2 3 
assign (residue 11 and name HB2) (residue 13 and name HD#) 4 2 3
assign (residue 11 and name HB1) (residue 13 and name HE#) 3 1 3
assign (residue 11 and name HB2) (residue 13 and name HE#) 3 1 3

assign (residue 11 and name HA) (residue 22 and name HD1#) 4 2 3    
assign (residue 11 and name HA) (residue 22 and name HD2#) 4 2 3   
assign (residue 11 and name HG1) (residue 22 and name HD2#) 4 2 2   
assign (residue 11 and name HG2) (residue 22 and name HD2#) 4 2 2   
assign (residue 11 and name HB1) (residue 22 and name HD1#) 3 1 2
assign (residue 11 and name HB2) (residue 22 and name HD1#) 3 1 2
assign (residue 11 and name HB1) (residue 22 and name HD2#) 3 1 2
assign (residue 11 and name HB2) (residue 22 and name HD2#) 3 1 2
assign (residue 14 and name HG#) (residue 26 and name HD#) 4 2 4.4  
assign (residue 14 and name HG#) (residue 26 and name HE#) 4 2 4.4  
assign (residue 14 and name HB) (residue 26 and name HE#) 4 2 3  

!assign (residue 16 and name HE#) (residue 26 and name HE#) 4 2 3  

assign (residue 21 and name HG1#) (residue 26 and name HD#) 4 2 4   
assign (residue 21 and name HG1#) (residue 26 and name HE#) 3 1 3  

assign (residue 22 and name HD1#) (residue 24 and name HN) 4 2 3   

assign (residue 23 and name HA) (residue 26 and name HE#) 4 2 3 
assign (residue 23 and name HA) (residue 26 and name HD#) 3 1 3  
assign (residue 23 and name HB1) (residue 26 and name HE#) 3 1 3  
assign (residue 23 and name HB2) (residue 26 and name HE#) 3 1 3  
assign (residue 23 and name HB1) (residue 26 and name HD#) 3 1 3  
assign (residue 23 and name HB2) (residue 26 and name HD#) 3 1 3  
assign (residue 23 and name HD#) (residue 26 and name HE#) 3 1 4.4  
assign (residue 23 and name HD#) (residue 26 and name HD#) 3 1 4.4  
assign (residue 23 and name HG) (residue 26 and name HD#) 3 1 3  

assign (residue 23 and name HD#) (residue 26 and name HB1) 3 1 4.4  
assign (residue 23 and name HD#) (residue 26 and name HB2) 3 1 4.4  
assign (residue 23 and name HA) (residue 26 and name HB1) 4 2 2  
!THR 25
! {P4|P7|R5|T25 HA}
assign (residue 25 and name HB) (residue 22 and name HB#) 4 2 2
assign (residue 25 and name HG2#) (residue 22 and name HD1#) 4 2 2 
assign (residue 25 and name HG2#) (residue 22 and name HD2#) 4 2 2 
assign (residue 25 and name HN) (residue 23 and name HD#) 4 2 4.3 
assign (residue 25 and name HA) (residue 23 and name HD#) 4 2 4.3 
assign (residue 25 and name HG2#) (residue 26 and name HD#) 4 1 4.3   
assign (residue 25 and name HG2#) (residue 26 and name HE#) 4 1 4.3   
assign (residue 25 and name HB) (residue 26 and name HE#) 4 1 3.3    
assign (residue 25 and name HA) (residue 27 and name HN) 4 2 1

!PHE 26 {F26 HN/I3 HN}
assign (residue 24 and name HA) (residue 26 and name HN) 4 2 1  
assign (residue 27 and name HA) (residue 27 and name HD#) 3 1 3.3  


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1           H        GLY   1 -27.517  -9.141  -6.101
    2    HA2  GLY   1           HA1      GLY   1 -25.544  -8.167  -4.971
    3    HA3  GLY   1           HA2      GLY   1 -24.953  -9.812  -4.761
    4    H    TYR   2           HN       TYR   2 -23.381  -8.069  -6.106
    5    HA   TYR   2           HA       TYR   2 -23.859  -8.340  -8.956
    6    HB2  TYR   2           HB2      TYR   2 -22.924  -6.240  -8.079
    7    HB3  TYR   2           HB1      TYR   2 -21.536  -7.117  -7.446
    8    HD1  TYR   2           HD1      TYR   2 -23.317  -6.909 -10.737
    9    HD2  TYR   2           HD2      TYR   2 -19.612  -6.808  -8.649
   10    HE1  TYR   2           HE1      TYR   2 -22.134  -6.570 -12.866
   11    HE2  TYR   2           HE2      TYR   2 -18.416  -6.469 -10.770
   12    HH   TYR   2           HH       TYR   2 -19.035  -5.481 -13.111
   13    H    ILE   3           HN       ILE   3 -22.724  -9.617 -10.357
   14    HA   ILE   3           HA       ILE   3 -21.324 -11.876  -9.182
   15    HB   ILE   3           HB       ILE   3 -21.991 -11.330 -12.095
   16   HG12  ILE   3          HG12      ILE   3 -23.992 -11.549 -10.598
   17   HG13  ILE   3          HG11      ILE   3 -23.878 -12.806 -11.827
   18   HG21  ILE   3          HG21      ILE   3 -21.745 -13.922 -12.124
   19   HG22  ILE   3          HG22      ILE   3 -20.769 -13.663 -10.675
   20   HG23  ILE   3          HG23      ILE   3 -20.311 -12.897 -12.197
   21   HD11  ILE   3          HD11      ILE   3 -24.424 -14.046 -10.005
   22   HD12  ILE   3          HD12      ILE   3 -23.564 -12.989  -8.889
   23   HD13  ILE   3          HD13      ILE   3 -22.663 -14.114  -9.905
   24    HA   PRO   4           HA       PRO   4 -17.438  -9.707  -9.931
   25    HB2  PRO   4           HB2      PRO   4 -15.840 -11.636  -8.859
   26    HB3  PRO   4           HB1      PRO   4 -16.715 -10.446  -7.889
   27    HG2  PRO   4           HG2      PRO   4 -17.425 -13.294  -8.485
   28    HG3  PRO   4           HG1      PRO   4 -17.557 -12.401  -6.956
   29    HD2  PRO   4           HD2      PRO   4 -19.694 -12.845  -8.566
   30    HD3  PRO   4           HD1      PRO   4 -19.528 -11.384  -7.575
   31    H    ARG   5           HN       ARG   5 -15.297 -10.375 -10.915
   32    HA   ARG   5           HA       ARG   5 -15.717 -11.493 -13.468
   33    HB2  ARG   5           HB2      ARG   5 -13.888  -9.889 -12.920
   34    HB3  ARG   5           HB1      ARG   5 -13.078 -11.155 -12.011
   35    HG2  ARG   5           HG2      ARG   5 -11.979 -11.132 -14.050
   36    HG3  ARG   5           HG1      ARG   5 -13.099 -12.489 -14.193
   37    HD2  ARG   5           HD2      ARG   5 -13.211 -11.294 -16.244
   38    HD3  ARG   5           HD1      ARG   5 -14.688 -10.901 -15.362
   39    HE   ARG   5           HE       ARG   5 -12.421  -9.117 -15.893
   40   HH11  ARG   5          HH11      ARG   5 -15.638  -9.560 -14.586
   41   HH12  ARG   5          HH12      ARG   5 -15.866  -7.873 -14.234
   42   HH21  ARG   5          HH21      ARG   5 -12.700  -6.905 -15.435
   43   HH22  ARG   5          HH22      ARG   5 -14.186  -6.355 -14.710
   44    H    ALA   6           HN       ALA   6 -15.518 -13.526 -14.240
   45    HA   ALA   6           HA       ALA   6 -14.957 -15.644 -12.291
   46    HB1  ALA   6           HB1      ALA   6 -16.244 -15.939 -15.002
   47    HB2  ALA   6           HB2      ALA   6 -17.131 -15.664 -13.497
   48    HB3  ALA   6           HB3      ALA   6 -16.178 -17.134 -13.705
   49    HA   PRO   7           HA       PRO   7 -11.131 -16.152 -14.685
   50    HB2  PRO   7           HB2      PRO   7  -9.686 -17.246 -12.702
   51    HB3  PRO   7           HB1      PRO   7  -9.994 -15.507 -12.765
   52    HG2  PRO   7           HG2      PRO   7 -11.287 -17.602 -11.083
   53    HG3  PRO   7           HG1      PRO   7 -10.847 -15.938 -10.665
   54    HD2  PRO   7           HD2      PRO   7 -13.390 -16.782 -11.347
   55    HD3  PRO   7           HD1      PRO   7 -12.820 -15.105 -11.436
   56    H    ARG   8           HN       ARG   8 -13.007 -17.745 -15.449
   57    HA   ARG   8           HA       ARG   8 -12.775 -20.467 -14.617
   58    HB2  ARG   8           HB2      ARG   8 -14.295 -20.842 -16.581
   59    HB3  ARG   8           HB1      ARG   8 -14.868 -19.733 -15.348
   60    HG2  ARG   8           HG2      ARG   8 -14.249 -17.835 -16.706
   61    HG3  ARG   8           HG1      ARG   8 -13.585 -18.910 -17.936
   62    HD2  ARG   8           HD2      ARG   8 -16.467 -18.900 -17.062
   63    HD3  ARG   8           HD1      ARG   8 -15.847 -18.015 -18.456
   64    HE   ARG   8           HE       ARG   8 -15.125 -20.753 -18.616
   65   HH11  ARG   8          HH11      ARG   8 -17.891 -18.663 -18.891
   66   HH12  ARG   8          HH12      ARG   8 -18.647 -19.595 -20.145
   67   HH21  ARG   8          HH21      ARG   8 -16.138 -22.062 -20.168
   68   HH22  ARG   8          HH22      ARG   8 -17.669 -21.575 -20.833
   69    H    ASP   9           HN       ASP   9 -10.646 -18.887 -15.983
   70    HA   ASP   9           HA       ASP   9  -9.966 -20.567 -18.254
   71    HB2  ASP   9           HB2      ASP   9  -8.062 -19.030 -18.576
   72    HB3  ASP   9           HB1      ASP   9  -9.596 -18.174 -18.490
   73    H    GLY  10           HN       GLY  10  -9.989 -22.326 -16.534
   74    HA2  GLY  10           HA2      GLY  10  -8.088 -23.934 -16.199
   75    HA3  GLY  10           HA1      GLY  10  -7.292 -22.606 -15.359
   76    H    GLN  11           HN       GLN  11 -10.392 -22.192 -14.587
   77    HA   GLN  11           HA       GLN  11 -10.482 -24.103 -12.412
   78    HB2  GLN  11           HB2      GLN  11 -10.864 -21.124 -12.139
   79    HB3  GLN  11           HB1      GLN  11 -11.127 -22.293 -10.886
   80    HG2  GLN  11           HG2      GLN  11  -8.773 -22.866 -10.875
   81    HG3  GLN  11           HG1      GLN  11  -8.495 -21.746 -12.206
   82   HE21  GLN  11          HE21      GLN  11  -7.842 -22.015  -9.136
   83   HE22  GLN  11          HE22      GLN  11  -8.027 -20.386  -8.594
   84    H    ALA  12           HN       ALA  12 -12.216 -25.152 -13.061
   85    HA   ALA  12           HA       ALA  12 -14.413 -24.037 -14.463
   86    HB1  ALA  12           HB1      ALA  12 -15.456 -26.315 -13.518
   87    HB2  ALA  12           HB2      ALA  12 -13.745 -26.664 -13.276
   88    HB3  ALA  12           HB3      ALA  12 -14.342 -26.268 -14.885
   89    H    TYR  13           HN       TYR  13 -15.294 -22.338 -13.339
   90    HA   TYR  13           HA       TYR  13 -16.042 -22.739 -10.581
   91    HB2  TYR  13           HB2      TYR  13 -16.047 -20.328 -12.373
   92    HB3  TYR  13           HB1      TYR  13 -16.937 -20.330 -10.862
   93    HD1  TYR  13           HD1      TYR  13 -14.278 -22.408 -10.214
   94    HD2  TYR  13           HD2      TYR  13 -15.135 -18.310 -10.887
   95    HE1  TYR  13           HE1      TYR  13 -12.266 -21.783  -8.965
   96    HE2  TYR  13           HE2      TYR  13 -13.132 -17.671  -9.641
   97    HH   TYR  13           HH       TYR  13 -10.683 -19.330  -9.137
   98    H    VAL  14           HN       VAL  14 -17.852 -23.526  -9.970
   99    HA   VAL  14           HA       VAL  14 -20.107 -23.772 -11.751
  100    HB   VAL  14           HB       VAL  14 -19.715 -25.652 -10.358
  101   HG11  VAL  14          HG11      VAL  14 -19.984 -23.943  -7.900
  102   HG12  VAL  14          HG12      VAL  14 -18.438 -24.398  -8.613
  103   HG13  VAL  14          HG13      VAL  14 -19.519 -25.641  -7.986
  104   HG21  VAL  14          HG21      VAL  14 -22.023 -25.429 -10.639
  105   HG22  VAL  14          HG22      VAL  14 -22.128 -24.096  -9.485
  106   HG23  VAL  14          HG23      VAL  14 -21.809 -25.738  -8.919
  107    H    ARG  15           HN       ARG  15 -22.159 -22.955 -11.276
  108    HA   ARG  15           HA       ARG  15 -22.040 -20.233 -10.331
  109    HB2  ARG  15           HB2      ARG  15 -24.352 -21.793 -11.466
  110    HB3  ARG  15           HB1      ARG  15 -24.366 -20.070 -11.113
  111    HG2  ARG  15           HG2      ARG  15 -22.326 -19.970 -12.696
  112    HG3  ARG  15           HG1      ARG  15 -22.886 -21.548 -13.249
  113    HD2  ARG  15           HD2      ARG  15 -23.871 -20.021 -14.712
  114    HD3  ARG  15           HD1      ARG  15 -25.157 -20.451 -13.583
  115    HE   ARG  15           HE       ARG  15 -23.854 -17.877 -13.889
  116   HH11  ARG  15          HH11      ARG  15 -25.990 -19.832 -11.885
  117   HH12  ARG  15          HH12      ARG  15 -26.604 -18.465 -11.005
  118   HH21  ARG  15          HH21      ARG  15 -24.658 -16.110 -12.715
  119   HH22  ARG  15          HH22      ARG  15 -25.879 -16.354 -11.501
  120    H    LYS  16           HN       LYS  16 -22.474 -19.544  -8.447
  121    HA   LYS  16           HA       LYS  16 -24.509 -20.844  -6.800
  122    HB2  LYS  16           HB2      LYS  16 -21.670 -20.329  -6.066
  123    HB3  LYS  16           HB1      LYS  16 -22.872 -19.884  -4.861
  124    HG2  LYS  16           HG2      LYS  16 -22.152 -22.085  -4.356
  125    HG3  LYS  16           HG1      LYS  16 -23.781 -22.205  -5.016
  126    HD2  LYS  16           HD2      LYS  16 -22.714 -22.704  -7.246
  127    HD3  LYS  16           HD1      LYS  16 -21.179 -22.856  -6.389
  128    HE2  LYS  16           HE2      LYS  16 -23.676 -24.492  -5.911
  129    HE3  LYS  16           HE1      LYS  16 -22.201 -25.040  -6.708
  130    HZ1  LYS  16           HZ1      LYS  16 -21.109 -24.355  -4.464
  131    HZ2  LYS  16           HZ2      LYS  16 -21.925 -25.840  -4.589
  132    HZ3  LYS  16           HZ3      LYS  16 -22.689 -24.502  -3.854
  133    H    ASP  17           HN       ASP  17 -25.056 -19.148  -4.915
  134    HA   ASP  17           HA       ASP  17 -25.935 -16.884  -6.334
  135    HB2  ASP  17           HB2      ASP  17 -26.429 -15.939  -3.992
  136    HB3  ASP  17           HB1      ASP  17 -27.357 -17.256  -4.656
  137    H    GLY  18           HN       GLY  18 -24.650 -15.688  -7.146
  138    HA2  GLY  18           HA2      GLY  18 -23.070 -14.062  -7.534
  139    HA3  GLY  18           HA1      GLY  18 -23.294 -13.633  -5.848
  140    H    GLU  19           HN       GLU  19 -22.286 -16.851  -6.445
  141    HA   GLU  19           HA       GLU  19 -19.536 -16.107  -5.715
  142    HB2  GLU  19           HB2      GLU  19 -21.275 -18.342  -4.708
  143    HB3  GLU  19           HB1      GLU  19 -19.528 -18.398  -4.548
  144    HG2  GLU  19           HG2      GLU  19 -21.179 -16.124  -3.508
  145    HG3  GLU  19           HG1      GLU  19 -20.790 -17.555  -2.553
  146    H    TRP  20           HN       TRP  20 -17.863 -17.133  -6.590
  147    HA   TRP  20           HA       TRP  20 -18.413 -19.067  -8.745
  148    HB2  TRP  20           HB2      TRP  20 -16.373 -16.862  -8.542
  149    HB3  TRP  20           HB1      TRP  20 -16.102 -18.245  -9.582
  150    HD1  TRP  20           HD1      TRP  20 -17.149 -14.892 -10.003
  151    HE1  TRP  20           HE1      TRP  20 -18.771 -14.614 -11.992
  152    HE3  TRP  20           HE3      TRP  20 -18.520 -19.754 -10.590
  153    HZ2  TRP  20           HZ2      TRP  20 -20.428 -16.267 -13.588
  154    HZ3  TRP  20           HZ3      TRP  20 -20.109 -20.342 -12.339
  155    HH2  TRP  20           HH2      TRP  20 -21.064 -18.635 -13.817
  156    H    VAL  21           HN       VAL  21 -17.659 -20.993  -8.482
  157    HA   VAL  21           HA       VAL  21 -15.507 -21.393  -6.492
  158    HB   VAL  21           HB       VAL  21 -17.331 -23.521  -6.332
  159   HG11  VAL  21          HG11      VAL  21 -17.292 -21.330  -4.321
  160   HG12  VAL  21          HG12      VAL  21 -15.822 -22.266  -4.601
  161   HG13  VAL  21          HG13      VAL  21 -17.298 -23.078  -4.071
  162   HG21  VAL  21          HG21      VAL  21 -19.088 -22.332  -7.294
  163   HG22  VAL  21          HG22      VAL  21 -18.638 -20.841  -6.467
  164   HG23  VAL  21          HG23      VAL  21 -19.351 -22.177  -5.555
  165    H    LEU  22           HN       LEU  22 -14.031 -22.919  -6.992
  166    HA   LEU  22           HA       LEU  22 -14.068 -24.101  -9.579
  167    HB2  LEU  22           HB2      LEU  22 -12.162 -23.362  -7.775
  168    HB3  LEU  22           HB1      LEU  22 -12.194 -25.082  -7.547
  169    HG   LEU  22           HG       LEU  22 -11.453 -23.530  -9.999
  170   HD11  LEU  22          HD11      LEU  22  -9.797 -24.170  -8.183
  171   HD12  LEU  22          HD12      LEU  22  -9.388 -24.582  -9.850
  172   HD13  LEU  22          HD13      LEU  22  -9.997 -25.827  -8.756
  173   HD21  LEU  22          HD21      LEU  22 -13.077 -25.453 -10.478
  174   HD22  LEU  22          HD22      LEU  22 -11.738 -26.507 -10.028
  175   HD23  LEU  22          HD23      LEU  22 -11.564 -25.394 -11.381
  176    H    LEU  23           HN       LEU  23 -14.827 -26.115 -10.113
  177    HA   LEU  23           HA       LEU  23 -15.872 -27.668  -7.849
  178    HB2  LEU  23           HB2      LEU  23 -17.624 -28.330  -9.175
  179    HB3  LEU  23           HB1      LEU  23 -17.276 -26.721  -9.786
  180    HG   LEU  23           HG       LEU  23 -15.689 -28.202 -11.375
  181   HD11  LEU  23          HD11      LEU  23 -16.634 -30.193 -12.038
  182   HD12  LEU  23          HD12      LEU  23 -18.173 -29.837 -11.252
  183   HD13  LEU  23          HD13      LEU  23 -16.756 -30.236 -10.280
  184   HD21  LEU  23          HD21      LEU  23 -17.382 -26.418 -11.926
  185   HD22  LEU  23          HD22      LEU  23 -18.576 -27.710 -12.024
  186   HD23  LEU  23          HD23      LEU  23 -17.193 -27.701 -13.115
  187    H    SER  24           HN       SER  24 -13.825 -27.889 -10.644
  188    HA   SER  24           HA       SER  24 -13.584 -30.541 -11.201
  189    HB2  SER  24           HB2      SER  24 -11.159 -30.129 -11.636
  190    HB3  SER  24           HB1      SER  24 -12.226 -28.920 -12.353
  191    HG   SER  24           HG       SER  24 -10.252 -28.224 -11.114
  192    H    THR  25           HN       THR  25 -12.056 -28.847  -8.615
  193    HA   THR  25           HA       THR  25 -10.430 -30.739  -7.548
  194    HB   THR  25           HB       THR  25 -10.645 -28.350  -6.908
  195    HG1  THR  25           HG1      THR  25 -10.126 -30.406  -5.228
  196   HG21  THR  25          HG21      THR  25 -12.717 -27.701  -6.389
  197   HG22  THR  25          HG22      THR  25 -12.179 -28.132  -4.766
  198   HG23  THR  25          HG23      THR  25 -13.150 -29.265  -5.703
  199    H    PHE  26           HN       PHE  26 -13.868 -30.422  -7.163
  200    HA   PHE  26           HA       PHE  26 -14.244 -32.216  -5.006
  201    HB2  PHE  26           HB2      PHE  26 -16.194 -31.531  -7.206
  202    HB3  PHE  26           HB1      PHE  26 -16.602 -32.262  -5.659
  203    HD1  PHE  26           HD1      PHE  26 -15.130 -30.667  -3.756
  204    HD2  PHE  26           HD2      PHE  26 -17.178 -29.459  -7.281
  205    HE1  PHE  26           HE1      PHE  26 -15.498 -28.453  -2.762
  206    HE2  PHE  26           HE2      PHE  26 -17.551 -27.227  -6.294
  207    HZ   PHE  26           HZ       PHE  26 -16.716 -26.720  -4.042
  208    H    LEU  27           HN       LEU  27 -14.561 -32.673  -8.493
  209    HA   LEU  27           HA       LEU  27 -14.724 -35.569  -8.080
  210    HB2  LEU  27           HB2      LEU  27 -15.382 -33.781 -10.403
  211    HB3  LEU  27           HB1      LEU  27 -15.323 -35.525 -10.552
  212    HG   LEU  27           HG       LEU  27 -17.175 -33.982  -8.738
  213   HD11  LEU  27          HD11      LEU  27 -17.405 -34.977 -11.502
  214   HD12  LEU  27          HD12      LEU  27 -18.257 -33.667 -10.688
  215   HD13  LEU  27          HD13      LEU  27 -18.766 -35.334 -10.436
  216   HD21  LEU  27          HD21      LEU  27 -17.508 -35.885  -7.646
  217   HD22  LEU  27          HD22      LEU  27 -16.313 -36.695  -8.660
  218   HD23  LEU  27          HD23      LEU  27 -18.007 -36.650  -9.148
  Start of MODEL    2
    1    H    GLY   1           H        GLY   1 -26.297  -7.251  -4.947
    2    HA2  GLY   1           HA1      GLY   1 -25.735  -9.531  -4.920
    3    HA3  GLY   1           HA2      GLY   1 -27.160  -9.925  -5.869
    4    H    TYR   2           HN       TYR   2 -23.923  -8.627  -5.945
    5    HA   TYR   2           HA       TYR   2 -24.082  -8.385  -8.857
    6    HB2  TYR   2           HB2      TYR   2 -23.092  -6.465  -7.718
    7    HB3  TYR   2           HB1      TYR   2 -21.914  -7.510  -6.932
    8    HD1  TYR   2           HD1      TYR   2 -23.092  -6.942 -10.446
    9    HD2  TYR   2           HD2      TYR   2 -19.781  -7.339  -7.797
   10    HE1  TYR   2           HE1      TYR   2 -21.551  -6.644 -12.334
   11    HE2  TYR   2           HE2      TYR   2 -18.233  -7.037  -9.684
   12    HH   TYR   2           HH       TYR   2 -18.912  -7.458 -12.713
   13    H    ILE   3           HN       ILE   3 -22.996  -9.680 -10.226
   14    HA   ILE   3           HA       ILE   3 -21.676 -12.025  -9.059
   15    HB   ILE   3           HB       ILE   3 -22.555 -11.556 -11.922
   16   HG12  ILE   3          HG12      ILE   3 -24.448 -11.682 -10.331
   17   HG13  ILE   3          HG11      ILE   3 -24.418 -13.052 -11.437
   18   HG21  ILE   3          HG21      ILE   3 -22.192 -13.969 -12.190
   19   HG22  ILE   3          HG22      ILE   3 -21.575 -14.051 -10.539
   20   HG23  ILE   3          HG23      ILE   3 -20.708 -13.120 -11.761
   21   HD11  ILE   3          HD11      ILE   3 -22.952 -13.906  -9.239
   22   HD12  ILE   3          HD12      ILE   3 -24.605 -14.357  -9.647
   23   HD13  ILE   3          HD13      ILE   3 -24.305 -13.004  -8.554
   24    HA   PRO   4           HA       PRO   4 -17.895  -9.790 -10.100
   25    HB2  PRO   4           HB2      PRO   4 -16.212 -11.717  -9.112
   26    HB3  PRO   4           HB1      PRO   4 -16.963 -10.458  -8.127
   27    HG2  PRO   4           HG2      PRO   4 -17.771 -13.311  -8.508
   28    HG3  PRO   4           HG1      PRO   4 -17.765 -12.329  -7.030
   29    HD2  PRO   4           HD2      PRO   4 -20.025 -12.835  -8.407
   30    HD3  PRO   4           HD1      PRO   4 -19.769 -11.301  -7.555
   31    H    ARG   5           HN       ARG   5 -15.829 -10.415 -11.224
   32    HA   ARG   5           HA       ARG   5 -16.456 -11.736 -13.682
   33    HB2  ARG   5           HB2      ARG   5 -14.946  -9.839 -13.662
   34    HB3  ARG   5           HB1      ARG   5 -13.851 -10.669 -12.570
   35    HG2  ARG   5           HG2      ARG   5 -13.335 -12.300 -14.295
   36    HG3  ARG   5           HG1      ARG   5 -14.477 -11.513 -15.390
   37    HD2  ARG   5           HD2      ARG   5 -13.164  -9.513 -15.429
   38    HD3  ARG   5           HD1      ARG   5 -12.108 -10.120 -14.156
   39    HE   ARG   5           HE       ARG   5 -11.973 -11.936 -16.262
   40   HH11  ARG   5          HH11      ARG   5 -11.171  -8.592 -15.643
   41   HH12  ARG   5          HH12      ARG   5  -9.869  -8.551 -16.796
   42   HH21  ARG   5          HH21      ARG   5 -10.255 -11.902 -17.761
   43   HH22  ARG   5          HH22      ARG   5  -9.342 -10.444 -18.004
   44    H    ALA   6           HN       ALA   6 -16.106 -13.786 -14.273
   45    HA   ALA   6           HA       ALA   6 -14.932 -15.585 -12.287
   46    HB1  ALA   6           HB1      ALA   6 -15.830 -17.376 -13.821
   47    HB2  ALA   6           HB2      ALA   6 -16.590 -16.083 -14.750
   48    HB3  ALA   6           HB3      ALA   6 -17.035 -16.338 -13.061
   49    HA   PRO   7           HA       PRO   7 -11.334 -15.646 -15.053
   50    HB2  PRO   7           HB2      PRO   7  -9.492 -16.045 -13.148
   51    HB3  PRO   7           HB1      PRO   7 -10.236 -14.460 -13.391
   52    HG2  PRO   7           HG2      PRO   7 -10.731 -16.482 -11.267
   53    HG3  PRO   7           HG1      PRO   7 -10.799 -14.713 -11.177
   54    HD2  PRO   7           HD2      PRO   7 -12.986 -16.468 -11.465
   55    HD3  PRO   7           HD1      PRO   7 -13.017 -14.705 -11.664
   56    H    ARG   8           HN       ARG   8 -12.938 -17.793 -15.176
   57    HA   ARG   8           HA       ARG   8 -11.624 -20.098 -14.108
   58    HB2  ARG   8           HB2      ARG   8 -13.415 -21.333 -15.341
   59    HB3  ARG   8           HB1      ARG   8 -13.901 -20.241 -14.065
   60    HG2  ARG   8           HG2      ARG   8 -14.641 -18.599 -15.662
   61    HG3  ARG   8           HG1      ARG   8 -14.018 -19.577 -16.991
   62    HD2  ARG   8           HD2      ARG   8 -16.190 -20.466 -15.093
   63    HD3  ARG   8           HD1      ARG   8 -16.476 -19.768 -16.689
   64    HE   ARG   8           HE       ARG   8 -14.782 -21.857 -17.172
   65   HH11  ARG   8          HH11      ARG   8 -17.822 -21.578 -15.491
   66   HH12  ARG   8          HH12      ARG   8 -18.395 -23.140 -15.991
   67   HH21  ARG   8          HH21      ARG   8 -15.512 -23.903 -17.843
   68   HH22  ARG   8          HH22      ARG   8 -17.083 -24.458 -17.344
   69    H    ASP   9           HN       ASP   9  -9.755 -19.451 -15.166
   70    HA   ASP   9           HA       ASP   9  -9.562 -20.575 -17.867
   71    HB2  ASP   9           HB2      ASP   9  -8.971 -18.119 -17.641
   72    HB3  ASP   9           HB1      ASP   9  -7.611 -18.653 -16.672
   73    H    GLY  10           HN       GLY  10  -9.513 -22.616 -16.692
   74    HA2  GLY  10           HA2      GLY  10  -7.800 -24.361 -16.519
   75    HA3  GLY  10           HA1      GLY  10  -6.811 -23.197 -15.643
   76    H    GLN  11           HN       GLN  11  -9.900 -22.688 -14.722
   77    HA   GLN  11           HA       GLN  11 -10.097 -24.712 -12.688
   78    HB2  GLN  11           HB2      GLN  11 -10.529 -22.825 -11.025
   79    HB3  GLN  11           HB1      GLN  11  -8.855 -23.144 -11.433
   80    HG2  GLN  11           HG2      GLN  11  -9.049 -21.276 -13.103
   81    HG3  GLN  11           HG1      GLN  11 -10.609 -20.898 -12.376
   82   HE21  GLN  11          HE21      GLN  11  -7.675 -19.762 -12.455
   83   HE22  GLN  11          HE22      GLN  11  -7.461 -19.223 -10.825
   84    H    ALA  12           HN       ALA  12 -12.002 -25.421 -13.308
   85    HA   ALA  12           HA       ALA  12 -14.024 -23.947 -14.580
   86    HB1  ALA  12           HB1      ALA  12 -13.678 -26.667 -13.524
   87    HB2  ALA  12           HB2      ALA  12 -14.338 -26.117 -15.065
   88    HB3  ALA  12           HB3      ALA  12 -15.346 -26.097 -13.617
   89    H    TYR  13           HN       TYR  13 -15.007 -22.251 -13.562
   90    HA   TYR  13           HA       TYR  13 -15.790 -22.635 -10.773
   91    HB2  TYR  13           HB2      TYR  13 -15.570 -20.148 -12.454
   92    HB3  TYR  13           HB1      TYR  13 -16.572 -20.169 -11.014
   93    HD1  TYR  13           HD2      TYR  13 -13.897 -22.394 -10.523
   94    HD2  TYR  13           HD1      TYR  13 -14.862 -18.262 -10.558
   95    HE1  TYR  13           HE2      TYR  13 -11.944 -21.927  -9.116
   96    HE2  TYR  13           HE1      TYR  13 -12.917 -17.776  -9.154
   97    HH   TYR  13           HH       TYR  13 -10.424 -19.946  -8.686
   98    H    VAL  14           HN       VAL  14 -17.683 -23.250 -10.220
   99    HA   VAL  14           HA       VAL  14 -19.871 -23.295 -12.137
  100    HB   VAL  14           HB       VAL  14 -19.475 -25.328 -10.918
  101   HG11  VAL  14          HG11      VAL  14 -19.507 -25.561  -8.556
  102   HG12  VAL  14          HG12      VAL  14 -20.037 -23.893  -8.345
  103   HG13  VAL  14          HG13      VAL  14 -18.414 -24.228  -8.942
  104   HG21  VAL  14          HG21      VAL  14 -21.831 -24.680 -11.420
  105   HG22  VAL  14          HG22      VAL  14 -21.971 -24.147  -9.743
  106   HG23  VAL  14          HG23      VAL  14 -21.640 -25.841 -10.107
  107    H    ARG  15           HN       ARG  15 -21.970 -22.574 -11.472
  108    HA   ARG  15           HA       ARG  15 -21.820 -19.939 -10.334
  109    HB2  ARG  15           HB2      ARG  15 -24.146 -21.528 -11.410
  110    HB3  ARG  15           HB1      ARG  15 -24.290 -19.890 -10.791
  111    HG2  ARG  15           HG2      ARG  15 -22.632 -19.169 -12.505
  112    HG3  ARG  15           HG1      ARG  15 -22.707 -20.797 -13.184
  113    HD2  ARG  15           HD2      ARG  15 -24.181 -19.290 -14.402
  114    HD3  ARG  15           HD1      ARG  15 -25.110 -20.530 -13.562
  115    HE   ARG  15           HE       ARG  15 -26.094 -18.895 -12.293
  116   HH11  ARG  15          HH11      ARG  15 -23.344 -17.535 -13.964
  117   HH12  ARG  15          HH12      ARG  15 -23.668 -15.907 -13.448
  118   HH21  ARG  15          HH21      ARG  15 -26.508 -16.754 -11.576
  119   HH22  ARG  15          HH22      ARG  15 -25.455 -15.473 -12.086
  120    H    LYS  16           HN       LYS  16 -22.265 -19.308  -8.386
  121    HA   LYS  16           HA       LYS  16 -23.892 -20.998  -6.626
  122    HB2  LYS  16           HB2      LYS  16 -21.128 -20.773  -6.343
  123    HB3  LYS  16           HB1      LYS  16 -21.759 -19.576  -5.219
  124    HG2  LYS  16           HG2      LYS  16 -21.404 -21.674  -4.084
  125    HG3  LYS  16           HG1      LYS  16 -23.128 -21.309  -4.155
  126    HD2  LYS  16           HD2      LYS  16 -23.372 -22.839  -6.061
  127    HD3  LYS  16           HD1      LYS  16 -21.645 -23.198  -5.984
  128    HE2  LYS  16           HE2      LYS  16 -22.963 -24.948  -4.902
  129    HE3  LYS  16           HE1      LYS  16 -21.932 -24.114  -3.738
  130    HZ1  LYS  16           HZ1      LYS  16 -24.673 -24.496  -3.599
  131    HZ2  LYS  16           HZ2      LYS  16 -24.447 -22.835  -3.879
  132    HZ3  LYS  16           HZ3      LYS  16 -23.710 -23.565  -2.550
  133    H    ASP  17           HN       ASP  17 -24.267 -19.438  -4.496
  134    HA   ASP  17           HA       ASP  17 -25.608 -17.224  -5.658
  135    HB2  ASP  17           HB2      ASP  17 -25.932 -16.514  -3.209
  136    HB3  ASP  17           HB1      ASP  17 -26.792 -17.868  -3.898
  137    H    GLY  18           HN       GLY  18 -24.497 -15.934  -6.538
  138    HA2  GLY  18           HA2      GLY  18 -23.137 -14.148  -6.991
  139    HA3  GLY  18           HA1      GLY  18 -23.264 -13.792  -5.279
  140    H    GLU  19           HN       GLU  19 -21.962 -16.879  -6.006
  141    HA   GLU  19           HA       GLU  19 -19.236 -15.824  -5.561
  142    HB2  GLU  19           HB2      GLU  19 -20.441 -18.376  -4.472
  143    HB3  GLU  19           HB1      GLU  19 -18.768 -17.892  -4.266
  144    HG2  GLU  19           HG2      GLU  19 -21.114 -16.314  -3.241
  145    HG3  GLU  19           HG1      GLU  19 -20.230 -17.514  -2.303
  146    H    TRP  20           HN       TRP  20 -17.507 -16.893  -6.536
  147    HA   TRP  20           HA       TRP  20 -18.245 -18.794  -8.662
  148    HB2  TRP  20           HB2      TRP  20 -16.099 -16.676  -8.598
  149    HB3  TRP  20           HB1      TRP  20 -15.954 -18.066  -9.654
  150    HD1  TRP  20           HD1      TRP  20 -17.007 -14.665  -9.916
  151    HE1  TRP  20           HE1      TRP  20 -18.726 -14.338 -11.811
  152    HE3  TRP  20           HE3      TRP  20 -18.328 -19.527 -10.614
  153    HZ2  TRP  20           HZ2      TRP  20 -20.418 -15.967 -13.402
  154    HZ3  TRP  20           HZ3      TRP  20 -19.983 -20.081 -12.327
  155    HH2  TRP  20           HH2      TRP  20 -21.016 -18.332 -13.702
  156    H    VAL  21           HN       VAL  21 -17.552 -20.758  -8.479
  157    HA   VAL  21           HA       VAL  21 -15.401 -21.317  -6.527
  158    HB   VAL  21           HB       VAL  21 -17.351 -23.382  -6.632
  159   HG11  VAL  21          HG11      VAL  21 -17.516 -21.975  -4.192
  160   HG12  VAL  21          HG12      VAL  21 -15.838 -21.919  -4.721
  161   HG13  VAL  21          HG13      VAL  21 -16.644 -23.473  -4.526
  162   HG21  VAL  21          HG21      VAL  21 -18.399 -20.622  -6.553
  163   HG22  VAL  21          HG22      VAL  21 -19.146 -21.827  -5.507
  164   HG23  VAL  21          HG23      VAL  21 -19.101 -22.080  -7.253
  165    H    LEU  22           HN       LEU  22 -14.015 -22.971  -6.966
  166    HA   LEU  22           HA       LEU  22 -13.951 -24.020  -9.628
  167    HB2  LEU  22           HB2      LEU  22 -12.079 -23.490  -7.734
  168    HB3  LEU  22           HB1      LEU  22 -12.287 -25.199  -7.507
  169    HG   LEU  22           HG       LEU  22 -11.198 -23.725  -9.875
  170   HD11  LEU  22          HD11      LEU  22  -9.348 -24.470  -8.909
  171   HD12  LEU  22          HD12      LEU  22  -9.819 -26.066  -9.491
  172   HD13  LEU  22          HD13      LEU  22 -10.235 -25.563  -7.852
  173   HD21  LEU  22          HD21      LEU  22 -12.099 -26.588  -9.977
  174   HD22  LEU  22          HD22      LEU  22 -11.381 -25.635 -11.276
  175   HD23  LEU  22          HD23      LEU  22 -12.994 -25.240 -10.684
  176    H    LEU  23           HN       LEU  23 -14.696 -26.055 -10.277
  177    HA   LEU  23           HA       LEU  23 -16.022 -27.554  -8.103
  178    HB2  LEU  23           HB2      LEU  23 -17.743 -28.068  -9.550
  179    HB3  LEU  23           HB1      LEU  23 -17.269 -26.457 -10.042
  180    HG   LEU  23           HG       LEU  23 -15.703 -27.883 -11.658
  181   HD11  LEU  23          HD11      LEU  23 -18.007 -29.453 -12.289
  182   HD12  LEU  23          HD12      LEU  23 -17.445 -29.811 -10.654
  183   HD13  LEU  23          HD13      LEU  23 -16.339 -29.956 -12.021
  184   HD21  LEU  23          HD21      LEU  23 -17.169 -26.029 -12.274
  185   HD22  LEU  23          HD22      LEU  23 -18.552 -27.125 -12.239
  186   HD23  LEU  23          HD23      LEU  23 -17.267 -27.363 -13.423
  187    H    SER  24           HN       SER  24 -13.793 -27.832 -10.720
  188    HA   SER  24           HA       SER  24 -13.702 -30.450 -11.421
  189    HB2  SER  24           HB2      SER  24 -11.199 -30.235 -11.545
  190    HB3  SER  24           HB1      SER  24 -12.097 -28.942 -12.339
  191    HG   SER  24           HG       SER  24 -10.766 -27.774 -11.171
  192    H    THR  25           HN       THR  25 -12.298 -29.066  -8.609
  193    HA   THR  25           HA       THR  25 -11.059 -31.279  -7.521
  194    HB   THR  25           HB       THR  25 -11.301 -29.894  -5.390
  195    HG1  THR  25           HG1      THR  25 -13.162 -28.758  -5.926
  196   HG21  THR  25          HG21      THR  25 -10.096 -28.825  -7.912
  197   HG22  THR  25          HG22      THR  25  -9.287 -29.614  -6.557
  198   HG23  THR  25          HG23      THR  25  -9.932 -27.983  -6.371
  199    H    PHE  26           HN       PHE  26 -14.381 -30.494  -7.531
  200    HA   PHE  26           HA       PHE  26 -15.166 -31.935  -5.187
  201    HB2  PHE  26           HB2      PHE  26 -16.799 -30.956  -7.537
  202    HB3  PHE  26           HB1      PHE  26 -17.463 -31.598  -6.039
  203    HD1  PHE  26           HD2      PHE  26 -14.881 -30.031  -4.684
  204    HD2  PHE  26           HD1      PHE  26 -18.346 -29.047  -6.940
  205    HE1  PHE  26           HE2      PHE  26 -14.890 -27.796  -3.668
  206    HE2  PHE  26           HE1      PHE  26 -18.377 -26.808  -5.931
  207    HZ   PHE  26           HZ       PHE  26 -16.645 -26.168  -4.290
  208    H    LEU  27           HN       LEU  27 -14.502 -32.754  -8.442
  209    HA   LEU  27           HA       LEU  27 -15.388 -35.486  -7.898
  210    HB2  LEU  27           HB2      LEU  27 -16.069 -35.459 -10.426
  211    HB3  LEU  27           HB1      LEU  27 -17.177 -34.933  -9.176
  212    HG   LEU  27           HG       LEU  27 -16.440 -32.562  -9.682
  213   HD11  LEU  27          HD11      LEU  27 -15.362 -33.790 -12.206
  214   HD12  LEU  27          HD12      LEU  27 -14.358 -33.199 -10.884
  215   HD13  LEU  27          HD13      LEU  27 -15.397 -32.084 -11.771
  216   HD21  LEU  27          HD21      LEU  27 -18.482 -32.774 -10.556
  217   HD22  LEU  27          HD22      LEU  27 -18.120 -34.341 -11.282
  218   HD23  LEU  27          HD23      LEU  27 -17.633 -32.857 -12.100
  Start of MODEL    3
    1    H    GLY   1           H        GLY   1 -25.934  -6.521  -4.667
    2    HA2  GLY   1           HA1      GLY   1 -24.726  -5.934  -6.524
    3    HA3  GLY   1           HA2      GLY   1 -23.685  -7.100  -5.719
    4    H    TYR   2           HN       TYR   2 -23.062  -6.861  -8.207
    5    HA   TYR   2           HA       TYR   2 -24.577  -8.751  -9.839
    6    HB2  TYR   2           HB2      TYR   2 -22.959  -8.123 -11.638
    7    HB3  TYR   2           HB1      TYR   2 -23.890  -6.770 -11.017
    8    HD1  TYR   2           HD1      TYR   2 -20.621  -8.468 -10.249
    9    HD2  TYR   2           HD2      TYR   2 -22.743  -4.817 -10.745
   10    HE1  TYR   2           HE1      TYR   2 -18.545  -7.214  -9.847
   11    HE2  TYR   2           HE2      TYR   2 -20.678  -3.557 -10.347
   12    HH   TYR   2           HH       TYR   2 -18.020  -4.219 -10.685
   13    H    ILE   3           HN       ILE   3 -23.261 -10.293 -11.166
   14    HA   ILE   3           HA       ILE   3 -21.807 -11.912  -9.301
   15    HB   ILE   3           HB       ILE   3 -23.484 -12.702 -11.119
   16   HG12  ILE   3          HG12      ILE   3 -20.871 -14.126 -10.662
   17   HG13  ILE   3          HG11      ILE   3 -22.255 -14.138  -9.579
   18   HG21  ILE   3          HG21      ILE   3 -22.923 -12.585 -13.263
   19   HG22  ILE   3          HG22      ILE   3 -21.446 -13.500 -12.954
   20   HG23  ILE   3          HG23      ILE   3 -21.442 -11.742 -12.810
   21   HD11  ILE   3          HD11      ILE   3 -22.792 -14.999 -12.336
   22   HD12  ILE   3          HD12      ILE   3 -23.370 -15.652 -10.806
   23   HD13  ILE   3          HD13      ILE   3 -21.754 -16.062 -11.383
   24    HA   PRO   4           HA       PRO   4 -17.870 -10.112 -10.266
   25    HB2  PRO   4           HB2      PRO   4 -16.722 -12.608  -9.232
   26    HB3  PRO   4           HB1      PRO   4 -16.513 -10.953  -8.659
   27    HG2  PRO   4           HG2      PRO   4 -17.979 -12.822  -7.331
   28    HG3  PRO   4           HG1      PRO   4 -18.294 -11.083  -7.236
   29    HD2  PRO   4           HD2      PRO   4 -19.789 -13.196  -8.667
   30    HD3  PRO   4           HD1      PRO   4 -20.358 -11.655  -8.009
   31    H    ARG   5           HN       ARG   5 -15.803 -10.784 -11.360
   32    HA   ARG   5           HA       ARG   5 -16.416 -12.087 -13.827
   33    HB2  ARG   5           HB2      ARG   5 -14.839 -10.201 -13.688
   34    HB3  ARG   5           HB1      ARG   5 -13.743 -11.187 -12.726
   35    HG2  ARG   5           HG2      ARG   5 -12.981 -11.107 -15.012
   36    HG3  ARG   5           HG1      ARG   5 -13.513 -12.745 -14.623
   37    HD2  ARG   5           HD2      ARG   5 -15.769 -12.041 -15.606
   38    HD3  ARG   5           HD1      ARG   5 -14.895 -10.662 -16.272
   39    HE   ARG   5           HE       ARG   5 -13.500 -12.982 -16.957
   40   HH11  ARG   5          HH11      ARG   5 -16.557 -11.415 -17.622
   41   HH12  ARG   5          HH12      ARG   5 -16.734 -12.127 -19.195
   42   HH21  ARG   5          HH21      ARG   5 -13.696 -13.880 -19.042
   43   HH22  ARG   5          HH22      ARG   5 -15.078 -13.511 -20.030
   44    H    ALA   6           HN       ALA   6 -16.230 -14.184 -14.315
   45    HA   ALA   6           HA       ALA   6 -15.164 -16.008 -12.332
   46    HB1  ALA   6           HB1      ALA   6 -16.780 -16.274 -14.819
   47    HB2  ALA   6           HB2      ALA   6 -17.088 -16.907 -13.200
   48    HB3  ALA   6           HB3      ALA   6 -15.888 -17.682 -14.236
   49    HA   PRO   7           HA       PRO   7 -11.310 -16.081 -14.677
   50    HB2  PRO   7           HB2      PRO   7  -9.764 -16.993 -12.664
   51    HB3  PRO   7           HB1      PRO   7 -10.287 -15.306 -12.757
   52    HG2  PRO   7           HG2      PRO   7 -11.240 -17.497 -10.997
   53    HG3  PRO   7           HG1      PRO   7 -11.188 -15.751 -10.699
   54    HD2  PRO   7           HD2      PRO   7 -13.439 -17.279 -11.458
   55    HD3  PRO   7           HD1      PRO   7 -13.320 -15.509 -11.406
   56    H    ARG   8           HN       ARG   8 -12.985 -17.953 -15.403
   57    HA   ARG   8           HA       ARG   8 -12.102 -20.581 -14.651
   58    HB2  ARG   8           HB2      ARG   8 -13.886 -21.286 -16.221
   59    HB3  ARG   8           HB1      ARG   8 -14.366 -20.320 -14.844
   60    HG2  ARG   8           HG2      ARG   8 -14.493 -18.336 -16.286
   61    HG3  ARG   8           HG1      ARG   8 -14.068 -19.343 -17.674
   62    HD2  ARG   8           HD2      ARG   8 -16.075 -20.689 -17.301
   63    HD3  ARG   8           HD1      ARG   8 -16.494 -19.683 -15.915
   64    HE   ARG   8           HE       ARG   8 -16.168 -18.079 -18.234
   65   HH11  ARG   8          HH11      ARG   8 -18.371 -20.310 -16.692
   66   HH12  ARG   8          HH12      ARG   8 -19.777 -19.705 -17.512
   67   HH21  ARG   8          HH21      ARG   8 -18.027 -17.236 -19.302
   68   HH22  ARG   8          HH22      ARG   8 -19.587 -17.936 -18.999
   69    H    ASP   9           HN       ASP   9 -10.016 -19.848 -15.542
   70    HA   ASP   9           HA       ASP   9  -9.732 -20.395 -18.379
   71    HB2  ASP   9           HB2      ASP   9  -7.349 -19.751 -18.058
   72    HB3  ASP   9           HB1      ASP   9  -8.482 -18.494 -17.589
   73    H    GLY  10           HN       GLY  10  -8.154 -21.440 -15.404
   74    HA2  GLY  10           HA2      GLY  10  -8.134 -24.200 -16.453
   75    HA3  GLY  10           HA1      GLY  10  -6.741 -23.526 -15.600
   76    H    GLN  11           HN       GLN  11  -9.863 -22.500 -14.760
   77    HA   GLN  11           HA       GLN  11 -10.089 -24.258 -12.458
   78    HB2  GLN  11           HB2      GLN  11 -10.037 -21.238 -12.417
   79    HB3  GLN  11           HB1      GLN  11 -10.584 -22.224 -11.088
   80    HG2  GLN  11           HG2      GLN  11  -8.412 -23.107 -10.729
   81    HG3  GLN  11           HG1      GLN  11  -7.825 -22.424 -12.243
   82   HE21  GLN  11          HE21      GLN  11  -9.779 -20.116 -11.116
   83   HE22  GLN  11          HE22      GLN  11  -8.665 -19.178 -10.187
   84    H    ALA  12           HN       ALA  12 -11.962 -25.144 -13.077
   85    HA   ALA  12           HA       ALA  12 -14.065 -23.820 -14.444
   86    HB1  ALA  12           HB1      ALA  12 -13.887 -26.434 -12.961
   87    HB2  ALA  12           HB2      ALA  12 -13.855 -26.173 -14.707
   88    HB3  ALA  12           HB3      ALA  12 -15.344 -25.901 -13.799
   89    H    TYR  13           HN       TYR  13 -15.534 -22.414 -13.555
   90    HA   TYR  13           HA       TYR  13 -15.932 -22.643 -10.656
   91    HB2  TYR  13           HB2      TYR  13 -15.906 -20.225 -12.419
   92    HB3  TYR  13           HB1      TYR  13 -16.883 -20.214 -10.962
   93    HD1  TYR  13           HD1      TYR  13 -13.465 -21.489 -11.798
   94    HD2  TYR  13           HD2      TYR  13 -15.870 -19.103  -9.252
   95    HE1  TYR  13           HE1      TYR  13 -11.488 -20.941 -10.448
   96    HE2  TYR  13           HE2      TYR  13 -13.915 -18.542  -7.892
   97    HH   TYR  13           HH       TYR  13 -11.689 -18.652  -7.738
   98    H    VAL  14           HN       VAL  14 -17.771 -23.247  -9.872
   99    HA   VAL  14           HA       VAL  14 -20.082 -23.520 -11.646
  100    HB   VAL  14           HB       VAL  14 -19.337 -25.502 -10.320
  101   HG11  VAL  14          HG11      VAL  14 -19.200 -25.590  -8.074
  102   HG12  VAL  14          HG12      VAL  14 -20.494 -24.415  -7.838
  103   HG13  VAL  14          HG13      VAL  14 -18.875 -23.870  -8.283
  104   HG21  VAL  14          HG21      VAL  14 -22.076 -24.579  -9.507
  105   HG22  VAL  14          HG22      VAL  14 -21.499 -26.241  -9.621
  106   HG23  VAL  14          HG23      VAL  14 -21.675 -25.269 -11.083
  107    H    ARG  15           HN       ARG  15 -22.236 -23.177 -10.423
  108    HA   ARG  15           HA       ARG  15 -22.198 -20.432  -9.463
  109    HB2  ARG  15           HB2      ARG  15 -23.764 -21.002 -11.231
  110    HB3  ARG  15           HB1      ARG  15 -24.473 -22.264 -10.236
  111    HG2  ARG  15           HG2      ARG  15 -25.870 -20.257 -10.353
  112    HG3  ARG  15           HG1      ARG  15 -25.358 -20.627  -8.705
  113    HD2  ARG  15           HD2      ARG  15 -23.645 -18.915  -8.821
  114    HD3  ARG  15           HD1      ARG  15 -24.046 -18.590 -10.508
  115    HE   ARG  15           HE       ARG  15 -26.393 -18.221  -9.133
  116   HH11  ARG  15          HH11      ARG  15 -23.168 -16.889  -8.900
  117   HH12  ARG  15          HH12      ARG  15 -23.713 -15.315  -8.410
  118   HH21  ARG  15          HH21      ARG  15 -27.114 -16.140  -8.515
  119   HH22  ARG  15          HH22      ARG  15 -25.949 -14.895  -8.180
  120    H    LYS  16           HN       LYS  16 -22.183 -19.954  -7.387
  121    HA   LYS  16           HA       LYS  16 -23.544 -21.753  -5.500
  122    HB2  LYS  16           HB2      LYS  16 -20.846 -21.168  -5.418
  123    HB3  LYS  16           HB1      LYS  16 -21.530 -19.966  -4.329
  124    HG2  LYS  16           HG2      LYS  16 -20.864 -21.969  -3.115
  125    HG3  LYS  16           HG1      LYS  16 -22.612 -21.744  -3.044
  126    HD2  LYS  16           HD2      LYS  16 -22.804 -23.351  -4.965
  127    HD3  LYS  16           HD1      LYS  16 -21.076 -23.677  -4.776
  128    HE2  LYS  16           HE2      LYS  16 -22.391 -25.364  -3.635
  129    HE3  LYS  16           HE1      LYS  16 -21.479 -24.402  -2.471
  130    HZ1  LYS  16           HZ1      LYS  16 -24.050 -23.275  -2.915
  131    HZ2  LYS  16           HZ2      LYS  16 -23.361 -23.814  -1.468
  132    HZ3  LYS  16           HZ3      LYS  16 -24.204 -24.901  -2.472
  133    H    ASP  17           HN       ASP  17 -23.841 -20.151  -3.320
  134    HA   ASP  17           HA       ASP  17 -25.802 -18.370  -4.276
  135    HB2  ASP  17           HB2      ASP  17 -25.602 -17.442  -1.831
  136    HB3  ASP  17           HB1      ASP  17 -26.450 -18.914  -2.246
  137    H    GLY  18           HN       GLY  18 -25.195 -16.998  -5.495
  138    HA2  GLY  18           HA2      GLY  18 -24.427 -15.038  -6.390
  139    HA3  GLY  18           HA1      GLY  18 -24.262 -14.501  -4.734
  140    H    GLU  19           HN       GLU  19 -22.417 -17.282  -5.287
  141    HA   GLU  19           HA       GLU  19 -19.998 -15.628  -5.732
  142    HB2  GLU  19           HB2      GLU  19 -20.211 -18.104  -4.020
  143    HB3  GLU  19           HB1      GLU  19 -18.812 -17.056  -4.161
  144    HG2  GLU  19           HG2      GLU  19 -21.464 -16.218  -3.041
  145    HG3  GLU  19           HG1      GLU  19 -20.088 -16.764  -2.084
  146    H    TRP  20           HN       TRP  20 -18.201 -16.598  -6.764
  147    HA   TRP  20           HA       TRP  20 -18.846 -18.898  -8.487
  148    HB2  TRP  20           HB2      TRP  20 -16.778 -16.700  -8.689
  149    HB3  TRP  20           HB1      TRP  20 -16.575 -18.203  -9.550
  150    HD1  TRP  20           HD1      TRP  20 -17.779 -14.858 -10.164
  151    HE1  TRP  20           HE1      TRP  20 -19.306 -14.801 -12.244
  152    HE3  TRP  20           HE3      TRP  20 -18.717 -19.841 -10.588
  153    HZ2  TRP  20           HZ2      TRP  20 -20.720 -16.655 -13.850
  154    HZ3  TRP  20           HZ3      TRP  20 -20.139 -20.634 -12.417
  155    HH2  TRP  20           HH2      TRP  20 -21.132 -19.074 -14.022
  156    H    VAL  21           HN       VAL  21 -17.684 -20.707  -8.423
  157    HA   VAL  21           HA       VAL  21 -15.561 -20.929  -6.396
  158    HB   VAL  21           HB       VAL  21 -17.041 -23.207  -6.103
  159   HG11  VAL  21          HG11      VAL  21 -17.638 -22.354  -3.925
  160   HG12  VAL  21          HG12      VAL  21 -17.362 -20.700  -4.478
  161   HG13  VAL  21          HG13      VAL  21 -16.008 -21.821  -4.326
  162   HG21  VAL  21          HG21      VAL  21 -18.942 -20.914  -6.377
  163   HG22  VAL  21          HG22      VAL  21 -19.350 -22.534  -5.809
  164   HG23  VAL  21          HG23      VAL  21 -18.817 -22.287  -7.475
  165    H    LEU  22           HN       LEU  22 -14.019 -22.496  -6.819
  166    HA   LEU  22           HA       LEU  22 -13.924 -23.583  -9.465
  167    HB2  LEU  22           HB2      LEU  22 -12.063 -22.873  -7.633
  168    HB3  LEU  22           HB1      LEU  22 -12.142 -24.592  -7.328
  169    HG   LEU  22           HG       LEU  22 -11.265 -23.161  -9.816
  170   HD11  LEU  22          HD11      LEU  22 -10.043 -24.914  -7.792
  171   HD12  LEU  22          HD12      LEU  22  -9.365 -23.548  -8.677
  172   HD13  LEU  22          HD13      LEU  22  -9.514 -25.122  -9.461
  173   HD21  LEU  22          HD21      LEU  22 -11.262 -25.185 -11.057
  174   HD22  LEU  22          HD22      LEU  22 -12.894 -24.935 -10.435
  175   HD23  LEU  22          HD23      LEU  22 -11.819 -26.105  -9.663
  176    H    LEU  23           HN       LEU  23 -14.610 -25.631 -10.078
  177    HA   LEU  23           HA       LEU  23 -15.642 -27.288  -7.875
  178    HB2  LEU  23           HB2      LEU  23 -17.530 -27.744  -9.095
  179    HB3  LEU  23           HB1      LEU  23 -17.165 -26.100  -9.574
  180    HG   LEU  23           HG       LEU  23 -15.815 -27.414 -11.466
  181   HD11  LEU  23          HD11      LEU  23 -16.658 -29.413 -12.074
  182   HD12  LEU  23          HD12      LEU  23 -18.266 -29.052 -11.444
  183   HD13  LEU  23          HD13      LEU  23 -16.970 -29.513 -10.338
  184   HD21  LEU  23          HD21      LEU  23 -18.551 -27.211 -12.307
  185   HD22  LEU  23          HD22      LEU  23 -17.168 -26.201 -12.737
  186   HD23  LEU  23          HD23      LEU  23 -18.110 -25.837 -11.290
  187    H    SER  24           HN       SER  24 -13.817 -27.295 -10.819
  188    HA   SER  24           HA       SER  24 -13.762 -29.809 -11.767
  189    HB2  SER  24           HB2      SER  24 -11.310 -29.531 -12.208
  190    HB3  SER  24           HB1      SER  24 -12.295 -28.153 -12.696
  191    HG   SER  24           HG       SER  24 -10.380 -27.547 -11.533
  192    H    THR  25           HN       THR  25 -11.816 -28.739  -9.084
  193    HA   THR  25           HA       THR  25 -10.514 -31.064  -8.455
  194    HB   THR  25           HB       THR  25 -10.012 -28.861  -7.558
  195    HG1  THR  25           HG1      THR  25  -9.421 -30.894  -6.441
  196   HG21  THR  25          HG21      THR  25 -12.453 -28.321  -7.025
  197   HG22  THR  25          HG22      THR  25 -11.189 -27.723  -5.950
  198   HG23  THR  25          HG23      THR  25 -12.128 -29.145  -5.499
  199    H    PHE  26           HN       PHE  26 -13.690 -30.055  -7.526
  200    HA   PHE  26           HA       PHE  26 -14.256 -31.897  -5.485
  201    HB2  PHE  26           HB2      PHE  26 -16.178 -30.694  -7.485
  202    HB3  PHE  26           HB1      PHE  26 -16.632 -31.460  -5.972
  203    HD1  PHE  26           HD2      PHE  26 -13.937 -30.017  -4.775
  204    HD2  PHE  26           HD1      PHE  26 -17.565 -28.799  -6.633
  205    HE1  PHE  26           HE2      PHE  26 -13.793 -27.849  -3.635
  206    HE2  PHE  26           HE1      PHE  26 -17.424 -26.631  -5.491
  207    HZ   PHE  26           HZ       PHE  26 -15.538 -26.153  -3.986
  208    H    LEU  27           HN       LEU  27 -14.239 -32.319  -8.959
  209    HA   LEU  27           HA       LEU  27 -15.560 -34.920  -8.711
  210    HB2  LEU  27           HB2      LEU  27 -16.249 -33.309 -10.503
  211    HB3  LEU  27           HB1      LEU  27 -14.657 -33.502 -11.214
  212    HG   LEU  27           HG       LEU  27 -15.133 -35.946 -11.464
  213   HD11  LEU  27          HD11      LEU  27 -17.705 -35.073 -10.266
  214   HD12  LEU  27          HD12      LEU  27 -16.791 -36.562 -10.035
  215   HD13  LEU  27          HD13      LEU  27 -17.735 -36.327 -11.505
  216   HD21  LEU  27          HD21      LEU  27 -15.358 -34.446 -13.355
  217   HD22  LEU  27          HD22      LEU  27 -17.006 -34.043 -12.864
  218   HD23  LEU  27          HD23      LEU  27 -16.618 -35.679 -13.396
  Start of MODEL    4
    1    H    GLY   1           H        GLY   1 -27.574 -11.580  -9.750
    2    HA2  GLY   1           HA1      GLY   1 -26.726 -10.390 -11.644
    3    HA3  GLY   1           HA2      GLY   1 -26.146  -9.677 -10.144
    4    H    TYR   2           HN       TYR   2 -24.356  -8.751 -11.211
    5    HA   TYR   2           HA       TYR   2 -22.481 -10.468 -12.571
    6    HB2  TYR   2           HB2      TYR   2 -22.802  -8.207 -13.408
    7    HB3  TYR   2           HB1      TYR   2 -22.351  -7.536 -11.845
    8    HD1  TYR   2           HD1      TYR   2 -19.974  -7.703 -11.077
    9    HD2  TYR   2           HD2      TYR   2 -21.144  -8.847 -15.005
   10    HE1  TYR   2           HE1      TYR   2 -17.625  -7.625 -11.789
   11    HE2  TYR   2           HE2      TYR   2 -18.795  -8.772 -15.727
   12    HH   TYR   2           HH       TYR   2 -16.244  -7.610 -13.580
   13    H    ILE   3           HN       ILE   3 -21.180 -11.739 -11.459
   14    HA   ILE   3           HA       ILE   3 -20.209 -10.849  -8.831
   15    HB   ILE   3           HB       ILE   3 -19.713 -13.621  -9.837
   16   HG12  ILE   3          HG12      ILE   3 -22.386 -12.543  -8.938
   17   HG13  ILE   3          HG11      ILE   3 -22.018 -13.401 -10.428
   18   HG21  ILE   3          HG21      ILE   3 -19.469 -12.241  -7.384
   19   HG22  ILE   3          HG22      ILE   3 -19.139 -13.941  -7.717
   20   HG23  ILE   3          HG23      ILE   3 -20.744 -13.444  -7.185
   21   HD11  ILE   3          HD11      ILE   3 -22.754 -15.222  -9.410
   22   HD12  ILE   3          HD12      ILE   3 -22.747 -14.432  -7.829
   23   HD13  ILE   3          HD13      ILE   3 -21.270 -15.179  -8.455
   24    HA   PRO   4           HA       PRO   4 -16.408  -9.980 -10.842
   25    HB2  PRO   4           HB2      PRO   4 -14.895  -9.427  -8.703
   26    HB3  PRO   4           HB1      PRO   4 -16.245  -8.415  -9.219
   27    HG2  PRO   4           HG2      PRO   4 -16.094 -10.368  -6.977
   28    HG3  PRO   4           HG1      PRO   4 -16.939  -8.814  -7.067
   29    HD2  PRO   4           HD2      PRO   4 -18.122 -11.309  -7.408
   30    HD3  PRO   4           HD1      PRO   4 -18.809  -9.771  -7.934
   31    H    ARG   5           HN       ARG   5 -15.945 -12.344  -8.180
   32    HA   ARG   5           HA       ARG   5 -13.345 -13.001  -9.204
   33    HB2  ARG   5           HB2      ARG   5 -14.253 -13.013  -6.750
   34    HB3  ARG   5           HB1      ARG   5 -14.751 -14.649  -7.147
   35    HG2  ARG   5           HG2      ARG   5 -12.584 -14.625  -6.040
   36    HG3  ARG   5           HG1      ARG   5 -12.445 -15.231  -7.693
   37    HD2  ARG   5           HD2      ARG   5 -10.628 -13.647  -7.067
   38    HD3  ARG   5           HD1      ARG   5 -11.578 -13.106  -8.453
   39    HE   ARG   5           HE       ARG   5 -12.603 -12.032  -6.013
   40   HH11  ARG   5          HH11      ARG   5 -10.014 -11.697  -8.343
   41   HH12  ARG   5          HH12      ARG   5  -9.751 -10.008  -8.004
   42   HH21  ARG   5          HH21      ARG   5 -12.256  -9.794  -5.572
   43   HH22  ARG   5          HH22      ARG   5 -11.013  -8.943  -6.441
   44    H    ALA   6           HN       ALA   6 -15.157 -13.499 -11.246
   45    HA   ALA   6           HA       ALA   6 -15.375 -16.433 -11.285
   46    HB1  ALA   6           HB1      ALA   6 -16.568 -14.748 -13.417
   47    HB2  ALA   6           HB2      ALA   6 -17.333 -14.808 -11.828
   48    HB3  ALA   6           HB3      ALA   6 -17.111 -16.287 -12.754
   49    HA   PRO   7           HA       PRO   7 -12.025 -15.897 -14.349
   50    HB2  PRO   7           HB2      PRO   7 -10.420 -17.872 -13.545
   51    HB3  PRO   7           HB1      PRO   7 -10.468 -16.329 -12.687
   52    HG2  PRO   7           HG2      PRO   7 -11.644 -18.950 -11.952
   53    HG3  PRO   7           HG1      PRO   7 -10.980 -17.683 -10.908
   54    HD2  PRO   7           HD2      PRO   7 -13.701 -18.151 -11.472
   55    HD3  PRO   7           HD1      PRO   7 -13.021 -16.731 -10.660
   56    H    ARG   8           HN       ARG   8 -11.933 -16.928 -16.273
   57    HA   ARG   8           HA       ARG   8 -13.408 -19.456 -16.562
   58    HB2  ARG   8           HB2      ARG   8 -13.929 -18.665 -18.791
   59    HB3  ARG   8           HB1      ARG   8 -14.419 -17.512 -17.563
   60    HG2  ARG   8           HG2      ARG   8 -12.586 -16.084 -18.041
   61    HG3  ARG   8           HG1      ARG   8 -11.869 -17.281 -19.123
   62    HD2  ARG   8           HD2      ARG   8 -13.675 -17.019 -20.694
   63    HD3  ARG   8           HD1      ARG   8 -14.539 -15.958 -19.575
   64    HE   ARG   8           HE       ARG   8 -12.093 -14.759 -19.978
   65   HH11  ARG   8          HH11      ARG   8 -14.715 -15.788 -22.038
   66   HH12  ARG   8          HH12      ARG   8 -14.500 -14.498 -23.179
   67   HH21  ARG   8          HH21      ARG   8 -11.829 -13.024 -21.442
   68   HH22  ARG   8          HH22      ARG   8 -12.865 -12.905 -22.836
   69    H    ASP   9           HN       ASP   9 -10.634 -18.980 -16.027
   70    HA   ASP   9           HA       ASP   9  -9.300 -19.839 -18.459
   71    HB2  ASP   9           HB2      ASP   9  -7.192 -19.466 -17.257
   72    HB3  ASP   9           HB1      ASP   9  -8.245 -18.057 -17.218
   73    H    GLY  10           HN       GLY  10 -10.741 -21.848 -18.095
   74    HA2  GLY  10           HA2      GLY  10 -10.552 -24.155 -18.047
   75    HA3  GLY  10           HA1      GLY  10  -8.902 -23.962 -17.469
   76    H    GLN  11           HN       GLN  11 -11.258 -22.278 -15.692
   77    HA   GLN  11           HA       GLN  11 -11.345 -24.381 -13.674
   78    HB2  GLN  11           HB2      GLN  11 -10.639 -21.500 -13.400
   79    HB3  GLN  11           HB1      GLN  11 -11.579 -22.226 -12.120
   80    HG2  GLN  11           HG2      GLN  11  -9.441 -22.509 -11.363
   81    HG3  GLN  11           HG1      GLN  11  -9.737 -24.050 -12.148
   82   HE21  GLN  11          HE21      GLN  11  -7.956 -21.097 -12.225
   83   HE22  GLN  11          HE22      GLN  11  -6.875 -21.540 -13.495
   84    H    ALA  12           HN       ALA  12 -13.222 -25.077 -13.747
   85    HA   ALA  12           HA       ALA  12 -15.531 -23.680 -14.667
   86    HB1  ALA  12           HB1      ALA  12 -16.337 -25.742 -14.898
   87    HB2  ALA  12           HB2      ALA  12 -16.075 -26.107 -13.194
   88    HB3  ALA  12           HB3      ALA  12 -14.765 -26.330 -14.352
   89    H    TYR  13           HN       TYR  13 -16.283 -22.044 -13.377
   90    HA   TYR  13           HA       TYR  13 -16.427 -22.556 -10.506
   91    HB2  TYR  13           HB2      TYR  13 -16.499 -20.033 -12.126
   92    HB3  TYR  13           HB1      TYR  13 -17.207 -20.062 -10.518
   93    HD1  TYR  13           HD1      TYR  13 -14.127 -21.675 -11.897
   94    HD2  TYR  13           HD2      TYR  13 -15.797 -18.982  -9.080
   95    HE1  TYR  13           HE1      TYR  13 -11.929 -21.408 -10.846
   96    HE2  TYR  13           HE2      TYR  13 -13.620 -18.707  -8.013
   97    HH   TYR  13           HH       TYR  13 -11.129 -18.973  -8.813
   98    H    VAL  14           HN       VAL  14 -18.135 -23.275  -9.608
   99    HA   VAL  14           HA       VAL  14 -20.681 -23.275 -10.979
  100    HB   VAL  14           HB       VAL  14 -20.005 -25.307  -9.829
  101   HG11  VAL  14          HG11      VAL  14 -18.613 -24.393  -8.089
  102   HG12  VAL  14          HG12      VAL  14 -19.866 -25.422  -7.384
  103   HG13  VAL  14          HG13      VAL  14 -20.026 -23.668  -7.317
  104   HG21  VAL  14          HG21      VAL  14 -22.342 -24.040  -8.425
  105   HG22  VAL  14          HG22      VAL  14 -21.993 -25.762  -8.497
  106   HG23  VAL  14          HG23      VAL  14 -22.400 -24.889  -9.974
  107    H    ARG  15           HN       ARG  15 -22.618 -22.618  -9.765
  108    HA   ARG  15           HA       ARG  15 -22.174 -19.962  -8.704
  109    HB2  ARG  15           HB2      ARG  15 -24.752 -21.408  -9.307
  110    HB3  ARG  15           HB1      ARG  15 -24.624 -19.730  -8.798
  111    HG2  ARG  15           HG2      ARG  15 -23.276 -19.266 -10.823
  112    HG3  ARG  15           HG1      ARG  15 -23.567 -20.929 -11.347
  113    HD2  ARG  15           HD2      ARG  15 -25.160 -19.474 -12.425
  114    HD3  ARG  15           HD1      ARG  15 -26.003 -20.489 -11.251
  115    HE   ARG  15           HE       ARG  15 -26.516 -18.613 -10.016
  116   HH11  ARG  15          HH11      ARG  15 -24.155 -17.798 -12.474
  117   HH12  ARG  15          HH12      ARG  15 -24.244 -16.085 -12.173
  118   HH21  ARG  15          HH21      ARG  15 -26.657 -16.356  -9.648
  119   HH22  ARG  15          HH22      ARG  15 -25.693 -15.275 -10.605
  120    H    LYS  16           HN       LYS  16 -22.357 -19.275  -6.770
  121    HA   LYS  16           HA       LYS  16 -23.610 -20.886  -4.662
  122    HB2  LYS  16           HB2      LYS  16 -20.916 -19.536  -4.634
  123    HB3  LYS  16           HB1      LYS  16 -21.824 -19.740  -3.142
  124    HG2  LYS  16           HG2      LYS  16 -21.160 -22.038  -4.944
  125    HG3  LYS  16           HG1      LYS  16 -20.065 -21.473  -3.682
  126    HD2  LYS  16           HD2      LYS  16 -21.855 -21.831  -2.020
  127    HD3  LYS  16           HD1      LYS  16 -22.887 -22.478  -3.298
  128    HE2  LYS  16           HE2      LYS  16 -21.410 -24.317  -3.668
  129    HE3  LYS  16           HE1      LYS  16 -20.174 -23.607  -2.629
  130    HZ1  LYS  16           HZ1      LYS  16 -21.282 -25.362  -1.459
  131    HZ2  LYS  16           HZ2      LYS  16 -22.810 -24.695  -1.777
  132    HZ3  LYS  16           HZ3      LYS  16 -21.730 -23.886  -0.739
  133    H    ASP  17           HN       ASP  17 -23.983 -19.260  -2.686
  134    HA   ASP  17           HA       ASP  17 -25.472 -17.153  -3.879
  135    HB2  ASP  17           HB2      ASP  17 -25.320 -16.424  -1.240
  136    HB3  ASP  17           HB1      ASP  17 -26.620 -17.272  -2.036
  137    H    GLY  18           HN       GLY  18 -24.449 -15.802  -4.840
  138    HA2  GLY  18           HA2      GLY  18 -23.237 -13.929  -5.342
  139    HA3  GLY  18           HA1      GLY  18 -23.055 -13.700  -3.619
  140    H    GLU  19           HN       GLU  19 -21.897 -16.740  -4.595
  141    HA   GLU  19           HA       GLU  19 -19.155 -15.670  -4.736
  142    HB2  GLU  19           HB2      GLU  19 -20.213 -18.040  -3.210
  143    HB3  GLU  19           HB1      GLU  19 -18.500 -17.804  -3.514
  144    HG2  GLU  19           HG2      GLU  19 -20.153 -15.694  -2.198
  145    HG3  GLU  19           HG1      GLU  19 -19.452 -17.033  -1.289
  146    H    TRP  20           HN       TRP  20 -17.643 -16.725  -5.972
  147    HA   TRP  20           HA       TRP  20 -18.678 -18.767  -7.836
  148    HB2  TRP  20           HB2      TRP  20 -16.577 -16.626  -8.213
  149    HB3  TRP  20           HB1      TRP  20 -16.595 -18.066  -9.207
  150    HD1  TRP  20           HD1      TRP  20 -17.767 -14.629  -9.351
  151    HE1  TRP  20           HE1      TRP  20 -19.673 -14.404 -11.081
  152    HE3  TRP  20           HE3      TRP  20 -18.975 -19.558  -9.917
  153    HZ2  TRP  20           HZ2      TRP  20 -21.463 -16.079 -12.467
  154    HZ3  TRP  20           HZ3      TRP  20 -20.796 -20.162 -11.445
  155    HH2  TRP  20           HH2      TRP  20 -22.017 -18.460 -12.697
  156    H    VAL  21           HN       VAL  21 -17.690 -20.629  -7.973
  157    HA   VAL  21           HA       VAL  21 -15.294 -21.106  -6.328
  158    HB   VAL  21           HB       VAL  21 -16.921 -23.284  -5.947
  159   HG11  VAL  21          HG11      VAL  21 -15.567 -22.403  -4.198
  160   HG12  VAL  21          HG12      VAL  21 -17.242 -22.319  -3.648
  161   HG13  VAL  21          HG13      VAL  21 -16.433 -20.868  -4.240
  162   HG21  VAL  21          HG21      VAL  21 -18.815 -22.167  -6.892
  163   HG22  VAL  21          HG22      VAL  21 -18.559 -20.783  -5.827
  164   HG23  VAL  21          HG23      VAL  21 -19.045 -22.340  -5.153
  165    H    LEU  22           HN       LEU  22 -13.933 -22.661  -7.097
  166    HA   LEU  22           HA       LEU  22 -14.361 -23.699  -9.727
  167    HB2  LEU  22           HB2      LEU  22 -12.166 -23.090  -8.275
  168    HB3  LEU  22           HB1      LEU  22 -12.248 -24.807  -7.969
  169    HG   LEU  22           HG       LEU  22 -11.637 -23.341 -10.485
  170   HD11  LEU  22          HD11      LEU  22 -10.259 -24.995  -8.741
  171   HD12  LEU  22          HD12      LEU  22  -9.709 -24.355 -10.288
  172   HD13  LEU  22          HD13      LEU  22 -10.483 -25.939 -10.213
  173   HD21  LEU  22          HD21      LEU  22 -13.073 -24.488 -11.714
  174   HD22  LEU  22          HD22      LEU  22 -13.509 -25.539 -10.365
  175   HD23  LEU  22          HD23      LEU  22 -12.099 -25.914 -11.359
  176    H    LEU  23           HN       LEU  23 -15.158 -25.741 -10.253
  177    HA   LEU  23           HA       LEU  23 -15.909 -27.366  -7.915
  178    HB2  LEU  23           HB2      LEU  23 -17.912 -27.844  -8.918
  179    HB3  LEU  23           HB1      LEU  23 -17.600 -26.236  -9.541
  180    HG   LEU  23           HG       LEU  23 -16.401 -27.785 -11.417
  181   HD11  LEU  23          HD11      LEU  23 -17.410 -29.745 -11.762
  182   HD12  LEU  23          HD12      LEU  23 -18.974 -29.162 -11.193
  183   HD13  LEU  23          HD13      LEU  23 -17.736 -29.636 -10.029
  184   HD21  LEU  23          HD21      LEU  23 -19.216 -26.730 -11.328
  185   HD22  LEU  23          HD22      LEU  23 -18.399 -27.277 -12.786
  186   HD23  LEU  23          HD23      LEU  23 -17.781 -25.880 -11.901
  187    H    SER  24           HN       SER  24 -14.471 -27.452 -11.099
  188    HA   SER  24           HA       SER  24 -14.426 -30.098 -11.789
  189    HB2  SER  24           HB2      SER  24 -12.112 -29.633 -12.740
  190    HB3  SER  24           HB1      SER  24 -13.390 -28.530 -13.241
  191    HG   SER  24           HG       SER  24 -11.132 -27.823 -12.256
  192    H    THR  25           HN       THR  25 -12.334 -28.440  -9.601
  193    HA   THR  25           HA       THR  25 -10.474 -30.334  -8.995
  194    HB   THR  25           HB       THR  25 -10.401 -28.027  -8.258
  195    HG1  THR  25           HG1      THR  25  -9.003 -29.074  -7.028
  196   HG21  THR  25          HG21      THR  25 -12.927 -28.347  -7.268
  197   HG22  THR  25          HG22      THR  25 -11.852 -26.973  -6.973
  198   HG23  THR  25          HG23      THR  25 -11.917 -28.308  -5.820
  199    H    PHE  26           HN       PHE  26 -13.686 -30.023  -7.744
  200    HA   PHE  26           HA       PHE  26 -13.527 -31.807  -5.579
  201    HB2  PHE  26           HB2      PHE  26 -15.978 -31.229  -7.252
  202    HB3  PHE  26           HB1      PHE  26 -15.965 -31.926  -5.640
  203    HD1  PHE  26           HD1      PHE  26 -14.001 -30.165  -4.297
  204    HD2  PHE  26           HD2      PHE  26 -17.152 -29.255  -7.005
  205    HE1  PHE  26           HE1      PHE  26 -14.202 -27.930  -3.296
  206    HE2  PHE  26           HE2      PHE  26 -17.352 -27.014  -6.017
  207    HZ   PHE  26           HZ       PHE  26 -15.883 -26.345  -4.167
  208    H    LEU  27           HN       LEU  27 -13.434 -32.490  -8.910
  209    HA   LEU  27           HA       LEU  27 -14.419 -35.220  -8.487
  210    HB2  LEU  27           HB2      LEU  27 -13.833 -33.624 -10.969
  211    HB3  LEU  27           HB1      LEU  27 -14.120 -35.350 -11.019
  212    HG   LEU  27           HG       LEU  27 -16.169 -34.340 -11.598
  213   HD11  LEU  27          HD11      LEU  27 -15.956 -35.960  -9.388
  214   HD12  LEU  27          HD12      LEU  27 -17.429 -35.602 -10.287
  215   HD13  LEU  27          HD13      LEU  27 -17.025 -34.668  -8.850
  216   HD21  LEU  27          HD21      LEU  27 -16.284 -32.671  -9.118
  217   HD22  LEU  27          HD22      LEU  27 -17.136 -32.470 -10.653
  218   HD23  LEU  27          HD23      LEU  27 -15.416 -32.088 -10.542
  Start of MODEL    5
    1    H    GLY   1           H        GLY   1 -28.901  -9.373  -6.472
    2    HA2  GLY   1           HA1      GLY   1 -26.342  -9.972  -5.321
    3    HA3  GLY   1           HA2      GLY   1 -27.289 -10.876  -6.498
    4    H    TYR   2           HN       TYR   2 -24.424 -10.376  -6.465
    5    HA   TYR   2           HA       TYR   2 -24.202  -9.175  -9.137
    6    HB2  TYR   2           HB2      TYR   2 -23.439  -7.387  -7.748
    7    HB3  TYR   2           HB1      TYR   2 -22.516  -8.489  -6.732
    8    HD1  TYR   2           HD1      TYR   2 -22.696  -7.594 -10.366
    9    HD2  TYR   2           HD2      TYR   2 -20.244  -8.410  -6.987
   10    HE1  TYR   2           HE1      TYR   2 -20.692  -7.186 -11.728
   11    HE2  TYR   2           HE2      TYR   2 -18.231  -8.002  -8.337
   12    HH   TYR   2           HH       TYR   2 -17.968  -6.412 -10.818
   13    H    ILE   3           HN       ILE   3 -22.968 -10.324 -10.495
   14    HA   ILE   3           HA       ILE   3 -21.514 -12.616  -9.356
   15    HB   ILE   3           HB       ILE   3 -22.435 -12.250 -12.221
   16   HG12  ILE   3          HG12      ILE   3 -24.335 -12.455 -10.659
   17   HG13  ILE   3          HG11      ILE   3 -24.193 -13.859 -11.712
   18   HG21  ILE   3          HG21      ILE   3 -22.078 -14.807 -12.146
   19   HG22  ILE   3          HG22      ILE   3 -21.056 -14.461 -10.750
   20   HG23  ILE   3          HG23      ILE   3 -20.675 -13.753 -12.322
   21   HD11  ILE   3          HD11      ILE   3 -24.101 -13.685  -8.821
   22   HD12  ILE   3          HD12      ILE   3 -22.725 -14.571  -9.482
   23   HD13  ILE   3          HD13      ILE   3 -24.365 -15.080  -9.867
   24    HA   PRO   4           HA       PRO   4 -17.941 -10.061 -10.453
   25    HB2  PRO   4           HB2      PRO   4 -16.091 -11.771  -9.396
   26    HB3  PRO   4           HB1      PRO   4 -16.995 -10.591  -8.440
   27    HG2  PRO   4           HG2      PRO   4 -17.505 -13.525  -8.805
   28    HG3  PRO   4           HG1      PRO   4 -17.586 -12.550  -7.324
   29    HD2  PRO   4           HD2      PRO   4 -19.810 -13.248  -8.671
   30    HD3  PRO   4           HD1      PRO   4 -19.666 -11.684  -7.854
   31    H    ARG   5           HN       ARG   5 -15.764 -10.606 -11.498
   32    HA   ARG   5           HA       ARG   5 -16.286 -12.018 -13.920
   33    HB2  ARG   5           HB2      ARG   5 -14.752 -10.004 -13.678
   34    HB3  ARG   5           HB1      ARG   5 -13.582 -11.086 -12.929
   35    HG2  ARG   5           HG2      ARG   5 -12.974 -10.865 -15.205
   36    HG3  ARG   5           HG1      ARG   5 -13.678 -12.475 -15.017
   37    HD2  ARG   5           HD2      ARG   5 -15.858 -11.501 -15.801
   38    HD3  ARG   5           HD1      ARG   5 -14.982 -10.021 -16.193
   39    HE   ARG   5           HE       ARG   5 -15.112 -12.381 -17.760
   40   HH11  ARG   5          HH11      ARG   5 -12.876  -9.848 -16.825
   41   HH12  ARG   5          HH12      ARG   5 -11.901 -10.005 -18.248
   42   HH21  ARG   5          HH21      ARG   5 -13.800 -12.604 -19.634
   43   HH22  ARG   5          HH22      ARG   5 -12.407 -11.580 -19.827
   44    H    ALA   6           HN       ALA   6 -16.130 -14.124 -14.227
   45    HA   ALA   6           HA       ALA   6 -15.156 -15.882 -12.222
   46    HB1  ALA   6           HB1      ALA   6 -15.448 -17.144 -14.801
   47    HB2  ALA   6           HB2      ALA   6 -16.822 -16.102 -14.427
   48    HB3  ALA   6           HB3      ALA   6 -16.364 -17.387 -13.311
   49    HA   PRO   7           HA       PRO   7 -10.954 -15.893 -13.772
   50    HB2  PRO   7           HB2      PRO   7  -9.823 -16.899 -11.547
   51    HB3  PRO   7           HB1      PRO   7 -10.367 -15.221 -11.635
   52    HG2  PRO   7           HG2      PRO   7 -11.597 -17.547 -10.263
   53    HG3  PRO   7           HG1      PRO   7 -11.634 -15.833  -9.819
   54    HD2  PRO   7           HD2      PRO   7 -13.671 -17.281 -11.125
   55    HD3  PRO   7           HD1      PRO   7 -13.586 -15.520 -10.932
   56    H    ARG   8           HN       ARG   8 -12.526 -17.780 -14.840
   57    HA   ARG   8           HA       ARG   8 -11.615 -20.400 -14.062
   58    HB2  ARG   8           HB2      ARG   8 -13.182 -21.141 -15.839
   59    HB3  ARG   8           HB1      ARG   8 -13.871 -20.241 -14.511
   60    HG2  ARG   8           HG2      ARG   8 -14.037 -18.255 -15.875
   61    HG3  ARG   8           HG1      ARG   8 -13.256 -19.099 -17.216
   62    HD2  ARG   8           HD2      ARG   8 -15.895 -19.834 -15.950
   63    HD3  ARG   8           HD1      ARG   8 -15.689 -19.012 -17.499
   64    HE   ARG   8           HE       ARG   8 -15.419 -21.829 -16.976
   65   HH11  ARG   8          HH11      ARG   8 -14.547 -19.208 -19.114
   66   HH12  ARG   8          HH12      ARG   8 -14.028 -20.251 -20.403
   67   HH21  ARG   8          HH21      ARG   8 -14.825 -23.209 -18.667
   68   HH22  ARG   8          HH22      ARG   8 -14.212 -22.548 -20.156
   69    H    ASP   9           HN       ASP   9  -9.498 -19.666 -14.616
   70    HA   ASP   9           HA       ASP   9  -8.790 -19.884 -17.430
   71    HB2  ASP   9           HB2      ASP   9  -6.532 -19.172 -16.723
   72    HB3  ASP   9           HB1      ASP   9  -7.770 -18.049 -16.177
   73    H    GLY  10           HN       GLY  10  -9.622 -22.124 -17.247
   74    HA2  GLY  10           HA2      GLY  10  -8.974 -24.352 -17.555
   75    HA3  GLY  10           HA1      GLY  10  -7.401 -23.964 -16.856
   76    H    GLN  11           HN       GLN  11 -10.205 -22.933 -15.217
   77    HA   GLN  11           HA       GLN  11 -10.289 -25.157 -13.389
   78    HB2  GLN  11           HB2      GLN  11  -9.833 -22.267 -12.597
   79    HB3  GLN  11           HB1      GLN  11 -10.163 -23.575 -11.502
   80    HG2  GLN  11           HG2      GLN  11  -8.079 -24.624 -11.986
   81    HG3  GLN  11           HG1      GLN  11  -7.768 -23.495 -13.300
   82   HE21  GLN  11          HE21      GLN  11  -6.464 -21.887 -12.838
   83   HE22  GLN  11          HE22      GLN  11  -6.152 -21.240 -11.266
   84    H    ALA  12           HN       ALA  12 -12.351 -25.651 -13.425
   85    HA   ALA  12           HA       ALA  12 -14.360 -23.910 -14.407
   86    HB1  ALA  12           HB1      ALA  12 -14.112 -26.682 -13.998
   87    HB2  ALA  12           HB2      ALA  12 -15.418 -25.813 -14.805
   88    HB3  ALA  12           HB3      ALA  12 -15.522 -26.158 -13.078
   89    H    TYR  13           HN       TYR  13 -15.794 -22.668 -13.399
   90    HA   TYR  13           HA       TYR  13 -15.868 -22.815 -10.465
   91    HB2  TYR  13           HB2      TYR  13 -15.794 -20.423 -12.271
   92    HB3  TYR  13           HB1      TYR  13 -16.643 -20.318 -10.744
   93    HD1  TYR  13           HD1      TYR  13 -15.451 -20.441  -8.648
   94    HD2  TYR  13           HD2      TYR  13 -13.364 -20.600 -12.326
   95    HE1  TYR  13           HE1      TYR  13 -13.391 -19.931  -7.461
   96    HE2  TYR  13           HE2      TYR  13 -11.277 -20.091 -11.155
   97    HH   TYR  13           HH       TYR  13 -11.123 -19.852  -7.649
   98    H    VAL  14           HN       VAL  14 -17.743 -23.328  -9.602
   99    HA   VAL  14           HA       VAL  14 -20.107 -23.448 -11.277
  100    HB   VAL  14           HB       VAL  14 -19.783 -25.346  -9.902
  101   HG11  VAL  14          HG11      VAL  14 -18.347 -24.746  -8.197
  102   HG12  VAL  14          HG12      VAL  14 -19.859 -25.042  -7.340
  103   HG13  VAL  14          HG13      VAL  14 -19.352 -23.391  -7.697
  104   HG21  VAL  14          HG21      VAL  14 -22.081 -24.961 -10.037
  105   HG22  VAL  14          HG22      VAL  14 -22.011 -23.635  -8.873
  106   HG23  VAL  14          HG23      VAL  14 -21.772 -25.297  -8.332
  107    H    ARG  15           HN       ARG  15 -22.107 -22.508 -10.604
  108    HA   ARG  15           HA       ARG  15 -21.663 -19.812  -9.635
  109    HB2  ARG  15           HB2      ARG  15 -24.112 -21.071 -10.864
  110    HB3  ARG  15           HB1      ARG  15 -23.999 -19.392 -10.366
  111    HG2  ARG  15           HG2      ARG  15 -22.067 -19.152 -11.961
  112    HG3  ARG  15           HG1      ARG  15 -22.485 -20.754 -12.582
  113    HD2  ARG  15           HD2      ARG  15 -24.229 -18.294 -12.543
  114    HD3  ARG  15           HD1      ARG  15 -23.519 -19.072 -13.959
  115    HE   ARG  15           HE       ARG  15 -25.034 -21.024 -12.753
  116   HH11  ARG  15          HH11      ARG  15 -25.636 -17.808 -14.023
  117   HH12  ARG  15          HH12      ARG  15 -27.273 -18.168 -14.492
  118   HH21  ARG  15          HH21      ARG  15 -27.116 -21.522 -13.405
  119   HH22  ARG  15          HH22      ARG  15 -28.116 -20.320 -14.164
  120    H    LYS  16           HN       LYS  16 -22.020 -19.157  -7.698
  121    HA   LYS  16           HA       LYS  16 -24.113 -20.434  -6.086
  122    HB2  LYS  16           HB2      LYS  16 -21.364 -19.551  -5.203
  123    HB3  LYS  16           HB1      LYS  16 -22.692 -19.761  -4.068
  124    HG2  LYS  16           HG2      LYS  16 -22.890 -22.116  -4.812
  125    HG3  LYS  16           HG1      LYS  16 -21.467 -21.875  -5.825
  126    HD2  LYS  16           HD2      LYS  16 -20.121 -21.367  -3.875
  127    HD3  LYS  16           HD1      LYS  16 -21.539 -21.500  -2.830
  128    HE2  LYS  16           HE2      LYS  16 -20.375 -23.731  -4.499
  129    HE3  LYS  16           HE1      LYS  16 -20.130 -23.516  -2.769
  130    HZ1  LYS  16           HZ1      LYS  16 -22.838 -23.802  -3.950
  131    HZ2  LYS  16           HZ2      LYS  16 -22.372 -23.961  -2.323
  132    HZ3  LYS  16           HZ3      LYS  16 -21.913 -25.143  -3.455
  133    H    ASP  17           HN       ASP  17 -24.319 -18.649  -4.038
  134    HA   ASP  17           HA       ASP  17 -25.503 -16.466  -5.402
  135    HB2  ASP  17           HB2      ASP  17 -25.201 -15.664  -2.762
  136    HB3  ASP  17           HB1      ASP  17 -26.634 -16.283  -3.553
  137    H    GLY  18           HN       GLY  18 -24.285 -15.312  -6.439
  138    HA2  GLY  18           HA2      GLY  18 -22.771 -13.709  -7.074
  139    HA3  GLY  18           HA1      GLY  18 -22.834 -13.193  -5.401
  140    H    GLU  19           HN       GLU  19 -21.822 -16.420  -5.860
  141    HA   GLU  19           HA       GLU  19 -19.014 -15.598  -5.492
  142    HB2  GLU  19           HB2      GLU  19 -20.526 -17.878  -4.213
  143    HB3  GLU  19           HB1      GLU  19 -18.784 -17.680  -4.100
  144    HG2  GLU  19           HG2      GLU  19 -20.789 -15.660  -3.145
  145    HG3  GLU  19           HG1      GLU  19 -20.035 -16.887  -2.129
  146    H    TRP  20           HN       TRP  20 -17.405 -16.751  -6.433
  147    HA   TRP  20           HA       TRP  20 -18.217 -18.835  -8.369
  148    HB2  TRP  20           HB2      TRP  20 -15.915 -16.867  -8.446
  149    HB3  TRP  20           HB1      TRP  20 -15.872 -18.354  -9.363
  150    HD1  TRP  20           HD1      TRP  20 -16.647 -14.893  -9.892
  151    HE1  TRP  20           HE1      TRP  20 -18.192 -14.579 -11.940
  152    HE3  TRP  20           HE3      TRP  20 -18.274 -19.684 -10.366
  153    HZ2  TRP  20           HZ2      TRP  20 -19.905 -16.194 -13.531
  154    HZ3  TRP  20           HZ3      TRP  20 -19.849 -20.244 -12.148
  155    HH2  TRP  20           HH2      TRP  20 -20.666 -18.536 -13.705
  156    H    VAL  21           HN       VAL  21 -17.368 -20.766  -8.218
  157    HA   VAL  21           HA       VAL  21 -15.323 -21.249  -6.154
  158    HB   VAL  21           HB       VAL  21 -17.162 -23.323  -5.994
  159   HG11  VAL  21          HG11      VAL  21 -17.552 -22.431  -3.733
  160   HG12  VAL  21          HG12      VAL  21 -16.785 -20.918  -4.221
  161   HG13  VAL  21          HG13      VAL  21 -15.838 -22.404  -4.153
  162   HG21  VAL  21          HG21      VAL  21 -18.591 -21.639  -7.253
  163   HG22  VAL  21          HG22      VAL  21 -18.639 -20.752  -5.728
  164   HG23  VAL  21          HG23      VAL  21 -19.279 -22.395  -5.816
  165    H    LEU  22           HN       LEU  22 -13.902 -22.810  -6.625
  166    HA   LEU  22           HA       LEU  22 -13.741 -23.889  -9.224
  167    HB2  LEU  22           HB2      LEU  22 -12.078 -23.425  -7.111
  168    HB3  LEU  22           HB1      LEU  22 -12.255 -25.158  -7.045
  169    HG   LEU  22           HG       LEU  22 -10.268 -24.391  -8.326
  170   HD11  LEU  22          HD11      LEU  22 -10.810 -26.537  -8.949
  171   HD12  LEU  22          HD12      LEU  22 -10.953 -25.690 -10.490
  172   HD13  LEU  22          HD13      LEU  22 -12.398 -26.068  -9.557
  173   HD21  LEU  22          HD21      LEU  22 -12.167 -22.639  -9.419
  174   HD22  LEU  22          HD22      LEU  22 -11.626 -23.688 -10.728
  175   HD23  LEU  22          HD23      LEU  22 -10.449 -22.757  -9.801
  176    H    LEU  23           HN       LEU  23 -14.701 -25.764  -9.996
  177    HA   LEU  23           HA       LEU  23 -15.861 -27.464  -7.886
  178    HB2  LEU  23           HB2      LEU  23 -17.833 -27.646  -9.030
  179    HB3  LEU  23           HB1      LEU  23 -17.338 -26.016  -9.450
  180    HG   LEU  23           HG       LEU  23 -16.189 -27.362 -11.448
  181   HD11  LEU  23          HD11      LEU  23 -17.518 -29.116 -12.262
  182   HD12  LEU  23          HD12      LEU  23 -18.768 -28.831 -11.050
  183   HD13  LEU  23          HD13      LEU  23 -17.198 -29.481 -10.568
  184   HD21  LEU  23          HD21      LEU  23 -18.941 -26.209 -11.216
  185   HD22  LEU  23          HD22      LEU  23 -18.282 -26.761 -12.758
  186   HD23  LEU  23          HD23      LEU  23 -17.488 -25.460 -11.865
  187    H    SER  24           HN       SER  24 -14.209 -27.398 -10.950
  188    HA   SER  24           HA       SER  24 -14.362 -29.978 -11.874
  189    HB2  SER  24           HB2      SER  24 -11.905 -29.628 -12.556
  190    HB3  SER  24           HB1      SER  24 -13.097 -28.476 -13.151
  191    HG   SER  24           HG       SER  24 -10.932 -27.899 -11.876
  192    H    THR  25           HN       THR  25 -12.337 -28.673  -9.419
  193    HA   THR  25           HA       THR  25 -10.748 -30.815  -8.760
  194    HB   THR  25           HB       THR  25 -10.339 -28.615  -7.908
  195    HG1  THR  25           HG1      THR  25  -9.716 -29.129  -5.910
  196   HG21  THR  25          HG21      THR  25 -11.899 -27.264  -7.196
  197   HG22  THR  25          HG22      THR  25 -12.095 -28.277  -5.766
  198   HG23  THR  25          HG23      THR  25 -13.073 -28.581  -7.201
  199    H    PHE  26           HN       PHE  26 -13.923 -29.964  -7.576
  200    HA   PHE  26           HA       PHE  26 -14.279 -31.923  -5.604
  201    HB2  PHE  26           HB2      PHE  26 -16.394 -30.749  -7.410
  202    HB3  PHE  26           HB1      PHE  26 -16.679 -31.547  -5.876
  203    HD1  PHE  26           HD2      PHE  26 -14.014 -30.021  -4.820
  204    HD2  PHE  26           HD1      PHE  26 -17.755 -28.901  -6.500
  205    HE1  PHE  26           HE2      PHE  26 -13.891 -27.873  -3.634
  206    HE2  PHE  26           HE1      PHE  26 -17.651 -26.748  -5.317
  207    HZ   PHE  26           HZ       PHE  26 -15.716 -26.226  -3.875
  208    H    LEU  27           HN       LEU  27 -15.021 -32.002  -9.042
  209    HA   LEU  27           HA       LEU  27 -16.106 -34.672  -8.914
  210    HB2  LEU  27           HB2      LEU  27 -15.700 -32.627 -11.049
  211    HB3  LEU  27           HB1      LEU  27 -16.039 -34.284 -11.500
  212    HG   LEU  27           HG       LEU  27 -18.172 -34.176 -10.261
  213   HD11  LEU  27          HD11      LEU  27 -17.330 -31.338  -9.736
  214   HD12  LEU  27          HD12      LEU  27 -17.755 -32.579  -8.557
  215   HD13  LEU  27          HD13      LEU  27 -18.997 -31.896  -9.605
  216   HD21  LEU  27          HD21      LEU  27 -19.273 -32.518 -11.785
  217   HD22  LEU  27          HD22      LEU  27 -18.269 -33.730 -12.584
  218   HD23  LEU  27          HD23      LEU  27 -17.664 -32.090 -12.359
  Start of MODEL    6
    1    H    GLY   1           H        GLY   1 -26.778 -12.377  -6.785
    2    HA2  GLY   1           HA1      GLY   1 -27.632 -10.110  -6.377
    3    HA3  GLY   1           HA2      GLY   1 -26.446  -9.965  -5.091
    4    H    TYR   2           HN       TYR   2 -24.316  -9.640  -5.576
    5    HA   TYR   2           HA       TYR   2 -23.805  -8.763  -8.309
    6    HB2  TYR   2           HB2      TYR   2 -23.184  -7.162  -6.624
    7    HB3  TYR   2           HB1      TYR   2 -22.258  -8.366  -5.738
    8    HD1  TYR   2           HD1      TYR   2 -22.361  -7.015  -9.242
    9    HD2  TYR   2           HD2      TYR   2 -19.973  -8.150  -5.904
   10    HE1  TYR   2           HE1      TYR   2 -20.340  -6.361 -10.472
   11    HE2  TYR   2           HE2      TYR   2 -17.944  -7.502  -7.131
   12    HH   TYR   2           HH       TYR   2 -17.887  -6.962 -10.429
   13    H    ILE   3           HN       ILE   3 -22.858 -10.080  -9.705
   14    HA   ILE   3           HA       ILE   3 -21.361 -12.386  -8.724
   15    HB   ILE   3           HB       ILE   3 -22.234 -11.685 -11.538
   16   HG12  ILE   3          HG12      ILE   3 -24.076 -12.219  -9.932
   17   HG13  ILE   3          HG11      ILE   3 -23.958 -13.338 -11.284
   18   HG21  ILE   3          HG21      ILE   3 -20.914 -14.146 -10.422
   19   HG22  ILE   3          HG22      ILE   3 -20.290 -13.051 -11.661
   20   HG23  ILE   3          HG23      ILE   3 -21.687 -14.076 -12.007
   21   HD11  ILE   3          HD11      ILE   3 -23.835 -13.851  -8.467
   22   HD12  ILE   3          HD12      ILE   3 -22.376 -14.441  -9.266
   23   HD13  ILE   3          HD13      ILE   3 -23.963 -14.984  -9.812
   24    HA   PRO   4           HA       PRO   4 -17.700  -9.820  -9.438
   25    HB2  PRO   4           HB2      PRO   4 -15.921 -11.702  -8.519
   26    HB3  PRO   4           HB1      PRO   4 -16.780 -10.561  -7.479
   27    HG2  PRO   4           HG2      PRO   4 -17.386 -13.435  -8.059
   28    HG3  PRO   4           HG1      PRO   4 -17.513 -12.551  -6.527
   29    HD2  PRO   4           HD2      PRO   4 -19.671 -13.132  -8.046
   30    HD3  PRO   4           HD1      PRO   4 -19.576 -11.647  -7.079
   31    H    ARG   5           HN       ARG   5 -15.376 -10.556 -10.338
   32    HA   ARG   5           HA       ARG   5 -15.941 -11.681 -12.944
   33    HB2  ARG   5           HB2      ARG   5 -14.528  -9.677 -12.764
   34    HB3  ARG   5           HB1      ARG   5 -13.363 -10.578 -11.803
   35    HG2  ARG   5           HG2      ARG   5 -12.778 -11.958 -13.653
   36    HG3  ARG   5           HG1      ARG   5 -14.112 -11.315 -14.620
   37    HD2  ARG   5           HD2      ARG   5 -13.078  -9.157 -14.724
   38    HD3  ARG   5           HD1      ARG   5 -11.826  -9.647 -13.580
   39    HE   ARG   5           HE       ARG   5 -11.533 -11.424 -15.599
   40   HH11  ARG   5          HH11      ARG   5 -11.777  -7.945 -15.572
   41   HH12  ARG   5          HH12      ARG   5 -10.644  -7.719 -16.872
   42   HH21  ARG   5          HH21      ARG   5  -9.995 -11.165 -17.259
   43   HH22  ARG   5          HH22      ARG   5  -9.627  -9.571 -17.843
   44    H    ALA   6           HN       ALA   6 -15.401 -13.650 -13.649
   45    HA   ALA   6           HA       ALA   6 -14.210 -15.469 -11.694
   46    HB1  ALA   6           HB1      ALA   6 -16.433 -15.910 -12.909
   47    HB2  ALA   6           HB2      ALA   6 -15.258 -17.221 -12.799
   48    HB3  ALA   6           HB3      ALA   6 -15.421 -16.311 -14.301
   49    HA   PRO   7           HA       PRO   7 -10.583 -15.572 -14.319
   50    HB2  PRO   7           HB2      PRO   7  -9.026 -16.795 -12.404
   51    HB3  PRO   7           HB1      PRO   7  -9.291 -15.053 -12.490
   52    HG2  PRO   7           HG2      PRO   7 -10.223 -16.928 -10.505
   53    HG3  PRO   7           HG1      PRO   7 -10.361 -15.166 -10.509
   54    HD2  PRO   7           HD2      PRO   7 -12.354 -17.186 -11.189
   55    HD3  PRO   7           HD1      PRO   7 -12.578 -15.457 -10.853
   56    H    ARG   8           HN       ARG   8 -12.566 -17.380 -14.808
   57    HA   ARG   8           HA       ARG   8 -11.605 -20.039 -14.376
   58    HB2  ARG   8           HB2      ARG   8 -13.660 -20.695 -15.579
   59    HB3  ARG   8           HB1      ARG   8 -13.862 -19.758 -14.116
   60    HG2  ARG   8           HG2      ARG   8 -14.342 -17.766 -15.405
   61    HG3  ARG   8           HG1      ARG   8 -14.054 -18.655 -16.906
   62    HD2  ARG   8           HD2      ARG   8 -15.893 -20.197 -16.293
   63    HD3  ARG   8           HD1      ARG   8 -16.209 -19.203 -14.871
   64    HE   ARG   8           HE       ARG   8 -16.305 -17.534 -17.119
   65   HH11  ARG   8          HH11      ARG   8 -18.072 -20.205 -15.695
   66   HH12  ARG   8          HH12      ARG   8 -19.585 -19.771 -16.425
   67   HH21  ARG   8          HH21      ARG   8 -18.325 -16.910 -18.038
   68   HH22  ARG   8          HH22      ARG   8 -19.740 -17.874 -17.733
   69    H    ASP   9           HN       ASP   9  -9.718 -19.500 -15.529
   70    HA   ASP   9           HA       ASP   9  -9.875 -19.660 -18.408
   71    HB2  ASP   9           HB2      ASP   9  -7.306 -19.557 -18.180
   72    HB3  ASP   9           HB1      ASP   9  -8.250 -18.145 -17.744
   73    H    GLY  10           HN       GLY  10  -7.686 -21.378 -16.208
   74    HA2  GLY  10           HA2      GLY  10  -8.346 -23.859 -17.657
   75    HA3  GLY  10           HA1      GLY  10  -6.857 -23.582 -16.758
   76    H    GLN  11           HN       GLN  11  -9.730 -22.408 -15.423
   77    HA   GLN  11           HA       GLN  11 -10.101 -24.651 -13.627
   78    HB2  GLN  11           HB2      GLN  11  -9.778 -21.727 -12.916
   79    HB3  GLN  11           HB1      GLN  11 -10.405 -22.932 -11.814
   80    HG2  GLN  11           HG2      GLN  11  -8.289 -24.130 -11.889
   81    HG3  GLN  11           HG1      GLN  11  -7.664 -22.953 -13.042
   82   HE21  GLN  11          HE21      GLN  11  -7.538 -23.833  -9.934
   83   HE22  GLN  11          HE22      GLN  11  -7.189 -22.314  -9.189
   84    H    ALA  12           HN       ALA  12 -12.043 -25.237 -14.219
   85    HA   ALA  12           HA       ALA  12 -14.022 -23.573 -15.376
   86    HB1  ALA  12           HB1      ALA  12 -15.141 -25.496 -15.762
   87    HB2  ALA  12           HB2      ALA  12 -14.844 -26.117 -14.139
   88    HB3  ALA  12           HB3      ALA  12 -13.580 -26.209 -15.362
   89    H    TYR  13           HN       TYR  13 -14.820 -21.946 -14.143
   90    HA   TYR  13           HA       TYR  13 -15.728 -22.620 -11.436
   91    HB2  TYR  13           HB2      TYR  13 -14.895 -20.016 -12.688
   92    HB3  TYR  13           HB1      TYR  13 -15.962 -20.020 -11.299
   93    HD1  TYR  13           HD1      TYR  13 -12.926 -22.064 -12.132
   94    HD2  TYR  13           HD2      TYR  13 -14.826 -19.378  -9.450
   95    HE1  TYR  13           HE1      TYR  13 -10.991 -22.183 -10.632
   96    HE2  TYR  13           HE2      TYR  13 -12.906 -19.487  -7.943
   97    HH   TYR  13           HH       TYR  13 -10.681 -21.769  -7.952
   98    H    VAL  14           HN       VAL  14 -17.743 -22.569 -10.859
   99    HA   VAL  14           HA       VAL  14 -19.798 -21.632 -12.757
  100    HB   VAL  14           HB       VAL  14 -20.206 -23.896 -12.708
  101   HG11  VAL  14          HG11      VAL  14 -20.144 -25.143 -10.385
  102   HG12  VAL  14          HG12      VAL  14 -19.072 -23.806  -9.955
  103   HG13  VAL  14          HG13      VAL  14 -18.665 -24.867 -11.307
  104   HG21  VAL  14          HG21      VAL  14 -21.782 -23.764 -10.278
  105   HG22  VAL  14          HG22      VAL  14 -22.296 -24.015 -11.948
  106   HG23  VAL  14          HG23      VAL  14 -22.031 -22.379 -11.339
  107    H    ARG  15           HN       ARG  15 -21.671 -20.618 -11.764
  108    HA   ARG  15           HA       ARG  15 -20.871 -19.198  -9.362
  109    HB2  ARG  15           HB2      ARG  15 -22.964 -17.858  -9.688
  110    HB3  ARG  15           HB1      ARG  15 -21.802 -17.762 -11.002
  111    HG2  ARG  15           HG2      ARG  15 -23.150 -19.391 -12.269
  112    HG3  ARG  15           HG1      ARG  15 -24.333 -19.382 -10.953
  113    HD2  ARG  15           HD2      ARG  15 -24.637 -16.954 -11.275
  114    HD3  ARG  15           HD1      ARG  15 -23.510 -17.013 -12.629
  115    HE   ARG  15           HE       ARG  15 -26.268 -17.663 -12.685
  116   HH11  ARG  15          HH11      ARG  15 -23.182 -18.609 -14.017
  117   HH12  ARG  15          HH12      ARG  15 -23.860 -19.347 -15.432
  118   HH21  ARG  15          HH21      ARG  15 -27.184 -18.630 -14.544
  119   HH22  ARG  15          HH22      ARG  15 -26.143 -19.359 -15.732
  120    H    LYS  16           HN       LYS  16 -21.267 -19.865  -7.471
  121    HA   LYS  16           HA       LYS  16 -23.540 -21.654  -6.977
  122    HB2  LYS  16           HB2      LYS  16 -21.230 -22.451  -6.372
  123    HB3  LYS  16           HB1      LYS  16 -21.127 -21.123  -5.221
  124    HG2  LYS  16           HG2      LYS  16 -22.933 -22.037  -3.923
  125    HG3  LYS  16           HG1      LYS  16 -23.217 -23.293  -5.126
  126    HD2  LYS  16           HD2      LYS  16 -20.679 -22.971  -3.538
  127    HD3  LYS  16           HD1      LYS  16 -21.973 -24.107  -3.155
  128    HE2  LYS  16           HE2      LYS  16 -20.335 -24.072  -5.694
  129    HE3  LYS  16           HE1      LYS  16 -20.134 -25.199  -4.356
  130    HZ1  LYS  16           HZ1      LYS  16 -21.932 -25.333  -6.540
  131    HZ2  LYS  16           HZ2      LYS  16 -22.812 -25.302  -5.092
  132    HZ3  LYS  16           HZ3      LYS  16 -21.619 -26.497  -5.344
  133    H    ASP  17           HN       ASP  17 -25.072 -20.034  -6.927
  134    HA   ASP  17           HA       ASP  17 -26.500 -18.604  -5.866
  135    HB2  ASP  17           HB2      ASP  17 -24.855 -19.546  -3.682
  136    HB3  ASP  17           HB1      ASP  17 -25.436 -17.904  -3.440
  137    H    GLY  18           HN       GLY  18 -23.497 -17.978  -6.643
  138    HA2  GLY  18           HA2      GLY  18 -23.461 -15.611  -7.646
  139    HA3  GLY  18           HA1      GLY  18 -23.589 -15.188  -5.956
  140    H    GLU  19           HN       GLU  19 -21.804 -17.817  -5.649
  141    HA   GLU  19           HA       GLU  19 -19.321 -16.242  -5.746
  142    HB2  GLU  19           HB2      GLU  19 -19.601 -18.991  -4.570
  143    HB3  GLU  19           HB1      GLU  19 -18.435 -17.742  -4.163
  144    HG2  GLU  19           HG2      GLU  19 -20.129 -16.454  -3.057
  145    HG3  GLU  19           HG1      GLU  19 -21.373 -17.574  -3.603
  146    H    TRP  20           HN       TRP  20 -17.552 -16.834  -6.946
  147    HA   TRP  20           HA       TRP  20 -18.012 -18.954  -8.910
  148    HB2  TRP  20           HB2      TRP  20 -15.842 -16.844  -8.732
  149    HB3  TRP  20           HB1      TRP  20 -15.798 -18.162  -9.884
  150    HD1  TRP  20           HD1      TRP  20 -16.886 -14.675  -9.646
  151    HE1  TRP  20           HE1      TRP  20 -18.429 -14.078 -11.623
  152    HE3  TRP  20           HE3      TRP  20 -17.954 -19.378 -11.258
  153    HZ2  TRP  20           HZ2      TRP  20 -19.924 -15.448 -13.602
  154    HZ3  TRP  20           HZ3      TRP  20 -19.445 -19.674 -13.176
  155    HH2  TRP  20           HH2      TRP  20 -20.419 -17.744 -14.338
  156    H    VAL  21           HN       VAL  21 -17.407 -20.774  -8.718
  157    HA   VAL  21           HA       VAL  21 -15.208 -21.430  -6.902
  158    HB   VAL  21           HB       VAL  21 -16.648 -23.381  -6.322
  159   HG11  VAL  21          HG11      VAL  21 -16.803 -22.112  -4.510
  160   HG12  VAL  21          HG12      VAL  21 -18.375 -21.635  -5.152
  161   HG13  VAL  21          HG13      VAL  21 -16.955 -20.644  -5.480
  162   HG21  VAL  21          HG21      VAL  21 -18.187 -23.451  -8.102
  163   HG22  VAL  21          HG22      VAL  21 -18.635 -21.764  -7.846
  164   HG23  VAL  21          HG23      VAL  21 -19.114 -22.992  -6.673
  165    H    LEU  22           HN       LEU  22 -14.032 -23.297  -7.454
  166    HA   LEU  22           HA       LEU  22 -14.059 -23.985 -10.242
  167    HB2  LEU  22           HB2      LEU  22 -11.971 -23.678  -8.937
  168    HB3  LEU  22           HB1      LEU  22 -12.404 -25.062  -7.950
  169    HG   LEU  22           HG       LEU  22 -12.028 -26.563  -9.700
  170   HD11  LEU  22          HD11      LEU  22 -12.223 -26.173 -11.887
  171   HD12  LEU  22          HD12      LEU  22 -11.353 -24.641 -11.791
  172   HD13  LEU  22          HD13      LEU  22 -13.062 -24.717 -11.358
  173   HD21  LEU  22          HD21      LEU  22  -9.901 -26.181  -9.048
  174   HD22  LEU  22          HD22      LEU  22 -10.017 -24.445  -9.344
  175   HD23  LEU  22          HD23      LEU  22  -9.763 -25.557 -10.692
  176    H    LEU  23           HN       LEU  23 -14.539 -26.135 -11.088
  177    HA   LEU  23           HA       LEU  23 -16.560 -27.396  -9.459
  178    HB2  LEU  23           HB2      LEU  23 -17.351 -28.332 -11.393
  179    HB3  LEU  23           HB1      LEU  23 -16.488 -26.948 -12.034
  180    HG   LEU  23           HG       LEU  23 -14.506 -28.667 -12.151
  181   HD11  LEU  23          HD11      LEU  23 -16.727 -30.521 -12.811
  182   HD12  LEU  23          HD12      LEU  23 -16.141 -30.399 -11.153
  183   HD13  LEU  23          HD13      LEU  23 -15.037 -30.867 -12.447
  184   HD21  LEU  23          HD21      LEU  23 -16.539 -28.986 -14.290
  185   HD22  LEU  23          HD22      LEU  23 -14.805 -28.695 -14.414
  186   HD23  LEU  23          HD23      LEU  23 -15.885 -27.375 -13.969
  187    H    SER  24           HN       SER  24 -13.324 -28.118 -10.496
  188    HA   SER  24           HA       SER  24 -13.071 -30.830 -10.151
  189    HB2  SER  24           HB2      SER  24 -10.740 -30.340  -9.329
  190    HB3  SER  24           HB1      SER  24 -11.180 -29.546 -10.837
  191    HG   SER  24           HG       SER  24 -10.155 -28.113  -9.387
  192    H    THR  25           HN       THR  25 -13.019 -28.338  -7.770
  193    HA   THR  25           HA       THR  25 -12.306 -29.686  -5.514
  194    HB   THR  25           HB       THR  25 -13.497 -27.921  -4.299
  195    HG1  THR  25           HG1      THR  25 -14.454 -26.872  -6.721
  196   HG21  THR  25          HG21      THR  25 -11.486 -27.053  -5.000
  197   HG22  THR  25          HG22      THR  25 -12.626 -25.921  -5.736
  198   HG23  THR  25          HG23      THR  25 -11.902 -27.206  -6.707
  199    H    PHE  26           HN       PHE  26 -15.443 -29.551  -7.026
  200    HA   PHE  26           HA       PHE  26 -17.076 -30.586  -5.016
  201    HB2  PHE  26           HB2      PHE  26 -17.328 -31.047  -8.001
  202    HB3  PHE  26           HB1      PHE  26 -18.604 -31.264  -6.812
  203    HD1  PHE  26           HD2      PHE  26 -17.124 -28.480  -5.571
  204    HD2  PHE  26           HD1      PHE  26 -19.295 -29.703  -9.026
  205    HE1  PHE  26           HE2      PHE  26 -17.876 -26.165  -5.913
  206    HE2  PHE  26           HE1      PHE  26 -20.058 -27.388  -9.367
  207    HZ   PHE  26           HZ       PHE  26 -19.343 -25.612  -7.818
  208    H    LEU  27           HN       LEU  27 -15.704 -32.360  -7.772
  209    HA   LEU  27           HA       LEU  27 -15.674 -34.785  -6.096
  210    HB2  LEU  27           HB2      LEU  27 -17.512 -34.764  -7.782
  211    HB3  LEU  27           HB1      LEU  27 -16.302 -34.654  -9.044
  212    HG   LEU  27           HG       LEU  27 -15.386 -36.854  -8.252
  213   HD11  LEU  27          HD11      LEU  27 -17.340 -38.142  -7.011
  214   HD12  LEU  27          HD12      LEU  27 -17.639 -36.528  -6.366
  215   HD13  LEU  27          HD13      LEU  27 -16.065 -37.290  -6.136
  216   HD21  LEU  27          HD21      LEU  27 -16.584 -37.163 -10.152
  217   HD22  LEU  27          HD22      LEU  27 -18.045 -36.427  -9.484
  218   HD23  LEU  27          HD23      LEU  27 -17.597 -38.076  -9.040
  Start of MODEL    7
    1    H    GLY   1           H        GLY   1 -28.476  -9.567  -6.965
    2    HA2  GLY   1           HA1      GLY   1 -26.647 -10.343  -4.764
    3    HA3  GLY   1           HA2      GLY   1 -27.057 -11.322  -6.166
    4    H    TYR   2           HN       TYR   2 -24.440 -10.864  -5.688
    5    HA   TYR   2           HA       TYR   2 -23.726  -8.961  -7.821
    6    HB2  TYR   2           HB2      TYR   2 -23.128  -7.961  -5.673
    7    HB3  TYR   2           HB1      TYR   2 -22.244  -9.413  -5.215
    8    HD1  TYR   2           HD1      TYR   2 -22.288  -6.866  -7.969
    9    HD2  TYR   2           HD2      TYR   2 -19.974  -9.425  -5.481
   10    HE1  TYR   2           HE1      TYR   2 -20.224  -5.942  -8.940
   11    HE2  TYR   2           HE2      TYR   2 -17.911  -8.510  -6.444
   12    HH   TYR   2           HH       TYR   2 -17.170  -6.438  -7.574
   13    H    ILE   3           HN       ILE   3 -22.574  -9.838  -9.417
   14    HA   ILE   3           HA       ILE   3 -21.384 -12.489  -8.918
   15    HB   ILE   3           HB       ILE   3 -22.154 -11.227 -11.563
   16   HG12  ILE   3          HG12      ILE   3 -24.066 -11.927 -10.058
   17   HG13  ILE   3          HG11      ILE   3 -24.016 -12.726 -11.628
   18   HG21  ILE   3          HG21      ILE   3 -21.284 -13.018 -12.656
   19   HG22  ILE   3          HG22      ILE   3 -21.630 -14.126 -11.326
   20   HG23  ILE   3          HG23      ILE   3 -20.228 -13.062 -11.245
   21   HD11  ILE   3          HD11      ILE   3 -22.852 -14.637 -10.484
   22   HD12  ILE   3          HD12      ILE   3 -24.542 -14.385 -10.053
   23   HD13  ILE   3          HD13      ILE   3 -23.263 -13.856  -8.955
   24    HA   PRO   4           HA       PRO   4 -17.531 -10.104  -9.215
   25    HB2  PRO   4           HB2      PRO   4 -15.906 -12.182  -8.485
   26    HB3  PRO   4           HB1      PRO   4 -16.766 -11.166  -7.322
   27    HG2  PRO   4           HG2      PRO   4 -17.494 -13.870  -8.378
   28    HG3  PRO   4           HG1      PRO   4 -17.588 -13.253  -6.717
   29    HD2  PRO   4           HD2      PRO   4 -19.774 -13.413  -8.284
   30    HD3  PRO   4           HD1      PRO   4 -19.553 -12.101  -7.121
   31    H    ARG   5           HN       ARG   5 -15.263 -10.904 -10.216
   32    HA   ARG   5           HA       ARG   5 -15.893 -11.657 -12.933
   33    HB2  ARG   5           HB2      ARG   5 -14.125  -9.925 -12.153
   34    HB3  ARG   5           HB1      ARG   5 -13.107 -11.325 -11.832
   35    HG2  ARG   5           HG2      ARG   5 -13.212 -11.992 -14.152
   36    HG3  ARG   5           HG1      ARG   5 -14.348 -10.689 -14.508
   37    HD2  ARG   5           HD2      ARG   5 -12.253  -9.920 -15.240
   38    HD3  ARG   5           HD1      ARG   5 -12.554  -9.094 -13.711
   39    HE   ARG   5           HE       ARG   5 -11.072 -11.490 -13.298
   40   HH11  ARG   5          HH11      ARG   5 -10.809  -8.194 -14.378
   41   HH12  ARG   5          HH12      ARG   5  -9.106  -8.073 -14.095
   42   HH21  ARG   5          HH21      ARG   5  -8.833 -11.373 -12.876
   43   HH22  ARG   5          HH22      ARG   5  -7.956  -9.912 -13.225
   44    H    ALA   6           HN       ALA   6 -15.452 -13.593 -13.916
   45    HA   ALA   6           HA       ALA   6 -14.706 -15.767 -12.106
   46    HB1  ALA   6           HB1      ALA   6 -16.205 -17.021 -13.159
   47    HB2  ALA   6           HB2      ALA   6 -15.579 -16.567 -14.748
   48    HB3  ALA   6           HB3      ALA   6 -16.744 -15.527 -13.930
   49    HA   PRO   7           HA       PRO   7 -10.813 -15.935 -14.419
   50    HB2  PRO   7           HB2      PRO   7  -9.420 -17.206 -12.510
   51    HB3  PRO   7           HB1      PRO   7  -9.780 -15.481 -12.384
   52    HG2  PRO   7           HG2      PRO   7 -11.069 -17.800 -11.021
   53    HG3  PRO   7           HG1      PRO   7 -10.707 -16.184 -10.387
   54    HD2  PRO   7           HD2      PRO   7 -13.190 -17.027 -11.290
   55    HD3  PRO   7           HD1      PRO   7 -12.680 -15.335 -11.147
   56    H    ARG   8           HN       ARG   8 -12.583 -17.464 -15.446
   57    HA   ARG   8           HA       ARG   8 -12.383 -20.255 -14.890
   58    HB2  ARG   8           HB2      ARG   8 -13.804 -20.440 -16.927
   59    HB3  ARG   8           HB1      ARG   8 -14.435 -19.418 -15.653
   60    HG2  ARG   8           HG2      ARG   8 -13.622 -17.436 -16.874
   61    HG3  ARG   8           HG1      ARG   8 -13.109 -18.501 -18.187
   62    HD2  ARG   8           HD2      ARG   8 -15.934 -18.161 -17.170
   63    HD3  ARG   8           HD1      ARG   8 -15.279 -17.463 -18.650
   64    HE   ARG   8           HE       ARG   8 -14.926 -20.262 -18.681
   65   HH11  ARG   8          HH11      ARG   8 -17.430 -17.834 -18.955
   66   HH12  ARG   8          HH12      ARG   8 -18.438 -18.805 -19.978
   67   HH21  ARG   8          HH21      ARG   8 -16.232 -21.521 -20.051
   68   HH22  ARG   8          HH22      ARG   8 -17.754 -20.902 -20.605
   69    H    ASP   9           HN       ASP   9 -10.174 -18.590 -15.937
   70    HA   ASP   9           HA       ASP   9  -9.387 -19.992 -18.342
   71    HB2  ASP   9           HB2      ASP   9  -7.413 -18.465 -18.308
   72    HB3  ASP   9           HB1      ASP   9  -8.967 -17.646 -18.341
   73    H    GLY  10           HN       GLY  10  -9.536 -21.949 -16.935
   74    HA2  GLY  10           HA2      GLY  10  -7.773 -23.669 -16.715
   75    HA3  GLY  10           HA1      GLY  10  -6.880 -22.499 -15.755
   76    H    GLN  11           HN       GLN  11 -10.146 -22.272 -15.091
   77    HA   GLN  11           HA       GLN  11 -10.257 -24.317 -13.084
   78    HB2  GLN  11           HB2      GLN  11 -10.328 -21.361 -12.489
   79    HB3  GLN  11           HB1      GLN  11 -10.897 -22.584 -11.392
   80    HG2  GLN  11           HG2      GLN  11  -8.754 -23.438 -11.023
   81    HG3  GLN  11           HG1      GLN  11  -8.100 -22.637 -12.448
   82   HE21  GLN  11          HE21      GLN  11  -6.806 -21.048 -11.964
   83   HE22  GLN  11          HE22      GLN  11  -6.945 -19.982 -10.609
   84    H    ALA  12           HN       ALA  12 -12.140 -25.173 -13.575
   85    HA   ALA  12           HA       ALA  12 -14.213 -23.805 -14.958
   86    HB1  ALA  12           HB1      ALA  12 -15.239 -25.845 -15.121
   87    HB2  ALA  12           HB2      ALA  12 -14.697 -26.361 -13.525
   88    HB3  ALA  12           HB3      ALA  12 -13.562 -26.342 -14.879
   89    H    TYR  13           HN       TYR  13 -15.157 -22.160 -13.852
   90    HA   TYR  13           HA       TYR  13 -15.946 -22.666 -11.092
   91    HB2  TYR  13           HB2      TYR  13 -15.595 -20.120 -12.650
   92    HB3  TYR  13           HB1      TYR  13 -16.551 -20.145 -11.179
   93    HD1  TYR  13           HD2      TYR  13 -13.955 -22.541 -10.953
   94    HD2  TYR  13           HD1      TYR  13 -14.748 -18.389 -10.635
   95    HE1  TYR  13           HE2      TYR  13 -11.946 -22.262  -9.579
   96    HE2  TYR  13           HE1      TYR  13 -12.748 -18.093  -9.262
   97    HH   TYR  13           HH       TYR  13 -10.337 -20.396  -9.006
   98    H    VAL  14           HN       VAL  14 -17.897 -22.988 -10.453
   99    HA   VAL  14           HA       VAL  14 -20.076 -22.770 -12.386
  100    HB   VAL  14           HB       VAL  14 -19.990 -24.934 -11.406
  101   HG11  VAL  14          HG11      VAL  14 -19.753 -23.497  -8.787
  102   HG12  VAL  14          HG12      VAL  14 -18.641 -24.659  -9.507
  103   HG13  VAL  14          HG13      VAL  14 -20.201 -25.201  -8.883
  104   HG21  VAL  14          HG21      VAL  14 -22.105 -25.059 -10.058
  105   HG22  VAL  14          HG22      VAL  14 -22.236 -24.299 -11.643
  106   HG23  VAL  14          HG23      VAL  14 -22.187 -23.304 -10.186
  107    H    ARG  15           HN       ARG  15 -22.059 -21.845 -11.723
  108    HA   ARG  15           HA       ARG  15 -21.660 -19.367 -10.337
  109    HB2  ARG  15           HB2      ARG  15 -24.205 -20.540 -11.462
  110    HB3  ARG  15           HB1      ARG  15 -24.011 -18.894 -10.879
  111    HG2  ARG  15           HG2      ARG  15 -22.199 -18.649 -12.651
  112    HG3  ARG  15           HG1      ARG  15 -22.801 -20.165 -13.322
  113    HD2  ARG  15           HD2      ARG  15 -24.396 -17.635 -12.914
  114    HD3  ARG  15           HD1      ARG  15 -23.821 -18.268 -14.454
  115    HE   ARG  15           HE       ARG  15 -25.328 -20.287 -13.347
  116   HH11  ARG  15          HH11      ARG  15 -25.830 -16.972 -14.345
  117   HH12  ARG  15          HH12      ARG  15 -27.512 -17.197 -14.712
  118   HH21  ARG  15          HH21      ARG  15 -27.537 -20.604 -13.846
  119   HH22  ARG  15          HH22      ARG  15 -28.486 -19.270 -14.438
  120    H    LYS  16           HN       LYS  16 -21.930 -18.967  -8.287
  121    HA   LYS  16           HA       LYS  16 -23.712 -20.693  -6.698
  122    HB2  LYS  16           HB2      LYS  16 -21.334 -20.989  -6.114
  123    HB3  LYS  16           HB1      LYS  16 -21.218 -19.269  -5.769
  124    HG2  LYS  16           HG2      LYS  16 -21.759 -19.740  -3.697
  125    HG3  LYS  16           HG1      LYS  16 -23.369 -20.124  -4.262
  126    HD2  LYS  16           HD2      LYS  16 -22.455 -21.934  -2.897
  127    HD3  LYS  16           HD1      LYS  16 -22.739 -22.456  -4.560
  128    HE2  LYS  16           HE2      LYS  16 -20.382 -22.262  -5.061
  129    HE3  LYS  16           HE1      LYS  16 -20.065 -21.599  -3.454
  130    HZ1  LYS  16           HZ1      LYS  16 -21.035 -24.349  -4.063
  131    HZ2  LYS  16           HZ2      LYS  16 -20.812 -23.709  -2.496
  132    HZ3  LYS  16           HZ3      LYS  16 -19.486 -23.930  -3.527
  133    H    ASP  17           HN       ASP  17 -24.356 -18.457  -8.196
  134    HA   ASP  17           HA       ASP  17 -25.654 -16.624  -8.215
  135    HB2  ASP  17           HB2      ASP  17 -26.184 -17.654  -5.500
  136    HB3  ASP  17           HB1      ASP  17 -26.711 -16.016  -5.860
  137    H    GLY  18           HN       GLY  18 -23.196 -16.635  -5.984
  138    HA2  GLY  18           HA2      GLY  18 -22.596 -13.903  -6.564
  139    HA3  GLY  18           HA1      GLY  18 -22.893 -14.251  -4.874
  140    H    GLU  19           HN       GLU  19 -21.558 -17.031  -5.887
  141    HA   GLU  19           HA       GLU  19 -18.811 -16.045  -5.476
  142    HB2  GLU  19           HB2      GLU  19 -19.930 -18.681  -4.516
  143    HB3  GLU  19           HB1      GLU  19 -18.333 -18.034  -4.181
  144    HG2  GLU  19           HG2      GLU  19 -19.325 -16.236  -2.863
  145    HG3  GLU  19           HG1      GLU  19 -20.933 -16.856  -3.242
  146    H    TRP  20           HN       TRP  20 -17.188 -16.999  -6.641
  147    HA   TRP  20           HA       TRP  20 -18.036 -18.869  -8.762
  148    HB2  TRP  20           HB2      TRP  20 -15.829 -16.808  -8.692
  149    HB3  TRP  20           HB1      TRP  20 -15.764 -18.161  -9.800
  150    HD1  TRP  20           HD1      TRP  20 -16.695 -14.706  -9.865
  151    HE1  TRP  20           HE1      TRP  20 -18.374 -14.206 -11.760
  152    HE3  TRP  20           HE3      TRP  20 -18.222 -19.471 -10.862
  153    HZ2  TRP  20           HZ2      TRP  20 -20.117 -15.658 -13.444
  154    HZ3  TRP  20           HZ3      TRP  20 -19.880 -19.842 -12.623
  155    HH2  TRP  20           HH2      TRP  20 -20.816 -17.966 -13.895
  156    H    VAL  21           HN       VAL  21 -17.512 -20.792  -8.554
  157    HA   VAL  21           HA       VAL  21 -15.243 -21.479  -6.806
  158    HB   VAL  21           HB       VAL  21 -16.967 -23.502  -6.524
  159   HG11  VAL  21          HG11      VAL  21 -15.935 -22.445  -4.648
  160   HG12  VAL  21          HG12      VAL  21 -17.677 -22.403  -4.390
  161   HG13  VAL  21          HG13      VAL  21 -16.833 -20.955  -4.947
  162   HG21  VAL  21          HG21      VAL  21 -18.554 -22.067  -7.958
  163   HG22  VAL  21          HG22      VAL  21 -18.796 -21.163  -6.464
  164   HG23  VAL  21          HG23      VAL  21 -19.192 -22.879  -6.529
  165    H    LEU  22           HN       LEU  22 -14.027 -23.212  -7.311
  166    HA   LEU  22           HA       LEU  22 -14.105 -24.169 -10.009
  167    HB2  LEU  22           HB2      LEU  22 -12.194 -23.780  -8.073
  168    HB3  LEU  22           HB1      LEU  22 -12.393 -25.508  -8.054
  169    HG   LEU  22           HG       LEU  22 -11.484 -23.769 -10.337
  170   HD11  LEU  22          HD11      LEU  22 -10.220 -25.745  -8.540
  171   HD12  LEU  22          HD12      LEU  22  -9.586 -24.240  -9.213
  172   HD13  LEU  22          HD13      LEU  22  -9.676 -25.689 -10.218
  173   HD21  LEU  22          HD21      LEU  22 -11.370 -25.791 -11.719
  174   HD22  LEU  22          HD22      LEU  22 -13.029 -25.361 -11.287
  175   HD23  LEU  22          HD23      LEU  22 -12.212 -26.688 -10.454
  176    H    LEU  23           HN       LEU  23 -14.827 -26.217 -10.658
  177    HA   LEU  23           HA       LEU  23 -16.438 -27.558  -8.624
  178    HB2  LEU  23           HB2      LEU  23 -17.755 -28.345 -10.338
  179    HB3  LEU  23           HB1      LEU  23 -17.138 -26.848 -11.013
  180    HG   LEU  23           HG       LEU  23 -15.245 -28.513 -11.869
  181   HD11  LEU  23          HD11      LEU  23 -15.979 -30.569 -11.191
  182   HD12  LEU  23          HD12      LEU  23 -16.645 -30.486 -12.821
  183   HD13  LEU  23          HD13      LEU  23 -17.681 -30.164 -11.425
  184   HD21  LEU  23          HD21      LEU  23 -17.198 -26.968 -12.976
  185   HD22  LEU  23          HD22      LEU  23 -17.594 -28.566 -13.604
  186   HD23  LEU  23          HD23      LEU  23 -15.992 -27.887 -13.882
  187    H    SER  24           HN       SER  24 -13.635 -28.082 -10.545
  188    HA   SER  24           HA       SER  24 -13.265 -30.750 -10.778
  189    HB2  SER  24           HB2      SER  24 -10.817 -30.337 -10.303
  190    HB3  SER  24           HB1      SER  24 -11.542 -29.263 -11.499
  191    HG   SER  24           HG       SER  24 -10.285 -28.087 -10.029
  192    H    THR  25           HN       THR  25 -12.591 -28.882  -7.950
  193    HA   THR  25           HA       THR  25 -11.545 -30.725  -6.250
  194    HB   THR  25           HB       THR  25 -12.455 -29.248  -4.452
  195    HG1  THR  25           HG1      THR  25 -13.621 -27.409  -5.182
  196   HG21  THR  25          HG21      THR  25 -10.376 -28.652  -5.607
  197   HG22  THR  25          HG22      THR  25 -11.306 -27.227  -5.137
  198   HG23  THR  25          HG23      THR  25 -11.317 -27.777  -6.815
  199    H    PHE  26           HN       PHE  26 -14.908 -30.256  -7.017
  200    HA   PHE  26           HA       PHE  26 -16.122 -31.622  -4.920
  201    HB2  PHE  26           HB2      PHE  26 -17.005 -31.304  -7.792
  202    HB3  PHE  26           HB1      PHE  26 -18.023 -31.980  -6.527
  203    HD1  PHE  26           HD2      PHE  26 -16.051 -29.513  -5.064
  204    HD2  PHE  26           HD1      PHE  26 -19.410 -29.994  -7.625
  205    HE1  PHE  26           HE2      PHE  26 -16.840 -27.278  -4.438
  206    HE2  PHE  26           HE1      PHE  26 -20.210 -27.760  -7.008
  207    HZ   PHE  26           HZ       PHE  26 -18.923 -26.390  -5.411
  208    H    LEU  27           HN       LEU  27 -15.487 -32.917  -8.181
  209    HA   LEU  27           HA       LEU  27 -15.328 -35.589  -6.963
  210    HB2  LEU  27           HB2      LEU  27 -17.374 -35.036  -8.419
  211    HB3  LEU  27           HB1      LEU  27 -16.261 -35.082  -9.774
  212    HG   LEU  27           HG       LEU  27 -16.482 -37.424  -7.906
  213   HD11  LEU  27          HD11      LEU  27 -18.156 -37.136 -10.383
  214   HD12  LEU  27          HD12      LEU  27 -18.751 -36.680  -8.789
  215   HD13  LEU  27          HD13      LEU  27 -18.270 -38.343  -9.102
  216   HD21  LEU  27          HD21      LEU  27 -14.656 -37.224  -9.631
  217   HD22  LEU  27          HD22      LEU  27 -15.913 -37.333 -10.863
  218   HD23  LEU  27          HD23      LEU  27 -15.653 -38.672  -9.743
  Start of MODEL    8
    1    H    GLY   1           H        GLY   1 -26.373  -7.312  -4.214
    2    HA2  GLY   1           HA1      GLY   1 -23.838  -7.393  -4.197
    3    HA3  GLY   1           HA2      GLY   1 -24.055  -9.109  -3.882
    4    H    TYR   2           HN       TYR   2 -22.720  -8.581  -6.086
    5    HA   TYR   2           HA       TYR   2 -24.676  -9.127  -8.215
    6    HB2  TYR   2           HB2      TYR   2 -23.271  -7.854  -9.798
    7    HB3  TYR   2           HB1      TYR   2 -23.930  -6.837  -8.526
    8    HD1  TYR   2           HD1      TYR   2 -20.822  -8.736  -9.393
    9    HD2  TYR   2           HD2      TYR   2 -22.520  -5.385  -7.400
   10    HE1  TYR   2           HE1      TYR   2 -18.565  -7.895  -8.900
   11    HE2  TYR   2           HE2      TYR   2 -20.268  -4.532  -6.904
   12    HH   TYR   2           HH       TYR   2 -17.710  -6.075  -6.754
   13    H    ILE   3           HN       ILE   3 -23.369  -9.931 -10.240
   14    HA   ILE   3           HA       ILE   3 -21.854 -12.248  -9.295
   15    HB   ILE   3           HB       ILE   3 -22.767 -11.585 -12.099
   16   HG12  ILE   3          HG12      ILE   3 -24.645 -11.819 -10.487
   17   HG13  ILE   3          HG11      ILE   3 -24.635 -13.080 -11.720
   18   HG21  ILE   3          HG21      ILE   3 -21.956 -13.577 -12.786
   19   HG22  ILE   3          HG22      ILE   3 -22.303 -14.370 -11.251
   20   HG23  ILE   3          HG23      ILE   3 -20.868 -13.358 -11.417
   21   HD11  ILE   3          HD11      ILE   3 -24.010 -13.270  -8.809
   22   HD12  ILE   3          HD12      ILE   3 -23.368 -14.459  -9.947
   23   HD13  ILE   3          HD13      ILE   3 -25.107 -14.240  -9.792
   24    HA   PRO   4           HA       PRO   4 -18.144  -9.871 -10.356
   25    HB2  PRO   4           HB2      PRO   4 -16.385 -11.680  -9.332
   26    HB3  PRO   4           HB1      PRO   4 -17.245 -10.503  -8.337
   27    HG2  PRO   4           HG2      PRO   4 -17.863 -13.394  -8.805
   28    HG3  PRO   4           HG1      PRO   4 -17.919 -12.465  -7.294
   29    HD2  PRO   4           HD2      PRO   4 -20.141 -13.052  -8.714
   30    HD3  PRO   4           HD1      PRO   4 -19.979 -11.550  -7.787
   31    H    ARG   5           HN       ARG   5 -16.027 -10.529 -11.443
   32    HA   ARG   5           HA       ARG   5 -16.668 -11.890 -13.879
   33    HB2  ARG   5           HB2      ARG   5 -15.147  -9.958 -13.848
   34    HB3  ARG   5           HB1      ARG   5 -14.012 -10.865 -12.856
   35    HG2  ARG   5           HG2      ARG   5 -13.616 -12.415 -14.666
   36    HG3  ARG   5           HG1      ARG   5 -14.835 -11.610 -15.660
   37    HD2  ARG   5           HD2      ARG   5 -12.346 -10.283 -14.581
   38    HD3  ARG   5           HD1      ARG   5 -12.504 -10.941 -16.212
   39    HE   ARG   5           HE       ARG   5 -14.603  -9.219 -15.997
   40   HH11  ARG   5          HH11      ARG   5 -11.159  -8.916 -15.468
   41   HH12  ARG   5          HH12      ARG   5 -11.094  -7.266 -15.987
   42   HH21  ARG   5          HH21      ARG   5 -14.521  -7.035 -16.647
   43   HH22  ARG   5          HH22      ARG   5 -13.004  -6.185 -16.623
   44    H    ALA   6           HN       ALA   6 -16.265 -13.947 -14.454
   45    HA   ALA   6           HA       ALA   6 -15.174 -15.724 -12.423
   46    HB1  ALA   6           HB1      ALA   6 -17.158 -16.590 -13.263
   47    HB2  ALA   6           HB2      ALA   6 -15.924 -17.497 -14.140
   48    HB3  ALA   6           HB3      ALA   6 -16.758 -16.155 -14.925
   49    HA   PRO   7           HA       PRO   7 -11.362 -15.802 -14.860
   50    HB2  PRO   7           HB2      PRO   7  -9.744 -16.589 -12.864
   51    HB3  PRO   7           HB1      PRO   7 -10.334 -14.926 -12.969
   52    HG2  PRO   7           HG2      PRO   7 -11.226 -17.144 -11.198
   53    HG3  PRO   7           HG1      PRO   7 -11.116 -15.411 -10.856
   54    HD2  PRO   7           HD2      PRO   7 -13.446 -16.797 -11.523
   55    HD3  PRO   7           HD1      PRO   7 -13.236 -15.038 -11.581
   56    H    ARG   8           HN       ARG   8 -12.980 -17.711 -15.541
   57    HA   ARG   8           HA       ARG   8 -12.173 -20.305 -14.640
   58    HB2  ARG   8           HB2      ARG   8 -13.778 -21.087 -16.369
   59    HB3  ARG   8           HB1      ARG   8 -14.430 -20.041 -15.122
   60    HG2  ARG   8           HG2      ARG   8 -14.217 -18.130 -16.722
   61    HG3  ARG   8           HG1      ARG   8 -13.810 -19.317 -17.967
   62    HD2  ARG   8           HD2      ARG   8 -15.990 -20.441 -17.512
   63    HD3  ARG   8           HD1      ARG   8 -16.385 -19.120 -16.408
   64    HE   ARG   8           HE       ARG   8 -15.664 -18.143 -18.990
   65   HH11  ARG   8          HH11      ARG   8 -18.293 -19.594 -17.186
   66   HH12  ARG   8          HH12      ARG   8 -19.524 -18.943 -18.224
   67   HH21  ARG   8          HH21      ARG   8 -17.270 -17.304 -20.349
   68   HH22  ARG   8          HH22      ARG   8 -18.944 -17.629 -20.017
   69    H    ASP   9           HN       ASP   9 -10.057 -19.642 -15.222
   70    HA   ASP   9           HA       ASP   9  -9.351 -20.579 -17.900
   71    HB2  ASP   9           HB2      ASP   9  -8.906 -18.152 -17.644
   72    HB3  ASP   9           HB1      ASP   9  -7.829 -18.552 -16.323
   73    H    GLY  10           HN       GLY  10  -9.372 -22.661 -16.843
   74    HA2  GLY  10           HA2      GLY  10  -7.866 -24.413 -16.281
   75    HA3  GLY  10           HA1      GLY  10  -6.807 -23.229 -15.520
   76    H    GLN  11           HN       GLN  11  -9.858 -22.446 -14.672
   77    HA   GLN  11           HA       GLN  11 -10.036 -24.170 -12.343
   78    HB2  GLN  11           HB2      GLN  11 -10.293 -21.162 -12.329
   79    HB3  GLN  11           HB1      GLN  11 -10.494 -22.220 -10.963
   80    HG2  GLN  11           HG2      GLN  11  -8.203 -22.747 -10.889
   81    HG3  GLN  11           HG1      GLN  11  -7.920 -22.031 -12.474
   82   HE21  GLN  11          HE21      GLN  11 -10.001 -19.967 -11.153
   83   HE22  GLN  11          HE22      GLN  11  -8.921 -18.876 -10.363
   84    H    ALA  12           HN       ALA  12 -11.827 -25.176 -13.023
   85    HA   ALA  12           HA       ALA  12 -13.959 -23.958 -14.449
   86    HB1  ALA  12           HB1      ALA  12 -14.778 -26.330 -13.036
   87    HB2  ALA  12           HB2      ALA  12 -13.190 -26.567 -13.766
   88    HB3  ALA  12           HB3      ALA  12 -14.556 -26.086 -14.771
   89    H    TYR  13           HN       TYR  13 -15.066 -22.315 -13.452
   90    HA   TYR  13           HA       TYR  13 -15.732 -22.673 -10.643
   91    HB2  TYR  13           HB2      TYR  13 -15.750 -20.245 -12.410
   92    HB3  TYR  13           HB1      TYR  13 -16.654 -20.277 -10.909
   93    HD1  TYR  13           HD2      TYR  13 -13.790 -22.307 -10.529
   94    HD2  TYR  13           HD1      TYR  13 -15.066 -18.264 -10.627
   95    HE1  TYR  13           HE2      TYR  13 -11.783 -21.641  -9.271
   96    HE2  TYR  13           HE1      TYR  13 -13.084 -17.586  -9.375
   97    HH   TYR  13           HH       TYR  13 -10.818 -19.931  -8.076
   98    H    VAL  14           HN       VAL  14 -17.622 -23.100  -9.877
   99    HA   VAL  14           HA       VAL  14 -19.862 -23.416 -11.734
  100    HB   VAL  14           HB       VAL  14 -19.289 -25.371 -10.387
  101   HG11  VAL  14          HG11      VAL  14 -19.531 -23.457  -8.133
  102   HG12  VAL  14          HG12      VAL  14 -18.314 -24.700  -8.429
  103   HG13  VAL  14          HG13      VAL  14 -19.925 -25.153  -7.866
  104   HG21  VAL  14          HG21      VAL  14 -21.415 -26.017 -10.149
  105   HG22  VAL  14          HG22      VAL  14 -21.802 -24.409 -10.757
  106   HG23  VAL  14          HG23      VAL  14 -21.778 -24.710  -9.019
  107    H    ARG  15           HN       ARG  15 -21.979 -22.772 -10.943
  108    HA   ARG  15           HA       ARG  15 -21.874 -20.081  -9.902
  109    HB2  ARG  15           HB2      ARG  15 -24.415 -20.214 -10.195
  110    HB3  ARG  15           HB1      ARG  15 -23.438 -20.311 -11.652
  111    HG2  ARG  15           HG2      ARG  15 -24.023 -22.462 -12.061
  112    HG3  ARG  15           HG1      ARG  15 -24.162 -22.869 -10.351
  113    HD2  ARG  15           HD2      ARG  15 -26.330 -22.891 -11.518
  114    HD3  ARG  15           HD1      ARG  15 -26.270 -21.734 -10.188
  115    HE   ARG  15           HE       ARG  15 -25.641 -20.596 -12.763
  116   HH11  ARG  15          HH11      ARG  15 -28.146 -21.352 -10.435
  117   HH12  ARG  15          HH12      ARG  15 -29.309 -20.279 -11.145
  118   HH21  ARG  15          HH21      ARG  15 -27.136 -19.147 -13.649
  119   HH22  ARG  15          HH22      ARG  15 -28.731 -19.029 -12.985
  120    H    LYS  16           HN       LYS  16 -22.239 -19.450  -7.878
  121    HA   LYS  16           HA       LYS  16 -23.557 -21.357  -6.073
  122    HB2  LYS  16           HB2      LYS  16 -21.054 -21.142  -5.671
  123    HB3  LYS  16           HB1      LYS  16 -21.359 -19.475  -5.191
  124    HG2  LYS  16           HG2      LYS  16 -22.638 -20.153  -3.311
  125    HG3  LYS  16           HG1      LYS  16 -22.731 -21.819  -3.889
  126    HD2  LYS  16           HD2      LYS  16 -20.155 -20.452  -3.130
  127    HD3  LYS  16           HD1      LYS  16 -21.118 -21.411  -2.009
  128    HE2  LYS  16           HE2      LYS  16 -19.817 -22.362  -4.556
  129    HE3  LYS  16           HE1      LYS  16 -19.369 -22.796  -2.908
  130    HZ1  LYS  16           HZ1      LYS  16 -21.568 -23.780  -4.560
  131    HZ2  LYS  16           HZ2      LYS  16 -21.912 -23.561  -2.917
  132    HZ3  LYS  16           HZ3      LYS  16 -20.644 -24.590  -3.385
  133    H    ASP  17           HN       ASP  17 -24.918 -19.578  -7.530
  134    HA   ASP  17           HA       ASP  17 -26.598 -18.051  -7.387
  135    HB2  ASP  17           HB2      ASP  17 -26.084 -18.751  -4.605
  136    HB3  ASP  17           HB1      ASP  17 -26.917 -17.230  -4.858
  137    H    GLY  18           HN       GLY  18 -23.633 -17.328  -6.903
  138    HA2  GLY  18           HA2      GLY  18 -23.614 -14.752  -7.726
  139    HA3  GLY  18           HA1      GLY  18 -23.791 -14.653  -5.988
  140    H    GLU  19           HN       GLU  19 -22.145 -17.197  -5.781
  141    HA   GLU  19           HA       GLU  19 -19.567 -15.805  -5.914
  142    HB2  GLU  19           HB2      GLU  19 -20.284 -18.319  -4.402
  143    HB3  GLU  19           HB1      GLU  19 -18.774 -17.433  -4.284
  144    HG2  GLU  19           HG2      GLU  19 -20.107 -15.464  -3.494
  145    HG3  GLU  19           HG1      GLU  19 -21.488 -16.550  -3.392
  146    H    TRP  20           HN       TRP  20 -17.777 -16.668  -6.845
  147    HA   TRP  20           HA       TRP  20 -18.266 -18.859  -8.743
  148    HB2  TRP  20           HB2      TRP  20 -16.255 -16.615  -8.708
  149    HB3  TRP  20           HB1      TRP  20 -16.002 -18.044  -9.689
  150    HD1  TRP  20           HD1      TRP  20 -17.244 -14.721 -10.157
  151    HE1  TRP  20           HE1      TRP  20 -18.920 -14.600 -12.117
  152    HE3  TRP  20           HE3      TRP  20 -18.243 -19.692 -10.641
  153    HZ2  TRP  20           HZ2      TRP  20 -20.466 -16.422 -13.667
  154    HZ3  TRP  20           HZ3      TRP  20 -19.788 -20.444 -12.375
  155    HH2  TRP  20           HH2      TRP  20 -20.891 -18.841 -13.868
  156    H    VAL  21           HN       VAL  21 -17.396 -20.763  -8.497
  157    HA   VAL  21           HA       VAL  21 -15.257 -21.120  -6.473
  158    HB   VAL  21           HB       VAL  21 -17.120 -23.289  -6.539
  159   HG11  VAL  21          HG11      VAL  21 -15.651 -21.737  -4.663
  160   HG12  VAL  21          HG12      VAL  21 -16.395 -23.322  -4.445
  161   HG13  VAL  21          HG13      VAL  21 -17.325 -21.858  -4.120
  162   HG21  VAL  21          HG21      VAL  21 -18.269 -20.631  -6.729
  163   HG22  VAL  21          HG22      VAL  21 -18.849 -21.551  -5.343
  164   HG23  VAL  21          HG23      VAL  21 -19.010 -22.213  -6.972
  165    H    LEU  22           HN       LEU  22 -13.725 -22.668  -6.938
  166    HA   LEU  22           HA       LEU  22 -13.715 -23.845  -9.545
  167    HB2  LEU  22           HB2      LEU  22 -11.815 -23.119  -7.741
  168    HB3  LEU  22           HB1      LEU  22 -11.895 -24.835  -7.455
  169    HG   LEU  22           HG       LEU  22 -11.108 -23.396  -9.972
  170   HD11  LEU  22          HD11      LEU  22  -9.761 -25.259  -8.069
  171   HD12  LEU  22          HD12      LEU  22  -9.232 -23.676  -8.649
  172   HD13  LEU  22          HD13      LEU  22  -9.186 -25.075  -9.724
  173   HD21  LEU  22          HD21      LEU  22 -11.117 -25.410 -11.189
  174   HD22  LEU  22          HD22      LEU  22 -12.708 -25.268 -10.436
  175   HD23  LEU  22          HD23      LEU  22 -11.501 -26.358  -9.752
  176    H    LEU  23           HN       LEU  23 -14.521 -25.871 -10.060
  177    HA   LEU  23           HA       LEU  23 -15.597 -27.373  -7.768
  178    HB2  LEU  23           HB2      LEU  23 -17.467 -27.849  -9.003
  179    HB3  LEU  23           HB1      LEU  23 -17.027 -26.260  -9.587
  180    HG   LEU  23           HG       LEU  23 -15.675 -27.771 -11.335
  181   HD11  LEU  23          HD11      LEU  23 -16.462 -29.876 -10.561
  182   HD12  LEU  23          HD12      LEU  23 -17.238 -29.534 -12.108
  183   HD13  LEU  23          HD13      LEU  23 -18.136 -29.323 -10.603
  184   HD21  LEU  23          HD21      LEU  23 -17.120 -25.905 -11.880
  185   HD22  LEU  23          HD22      LEU  23 -18.541 -26.901 -11.566
  186   HD23  LEU  23          HD23      LEU  23 -17.474 -27.287 -12.916
  187    H    SER  24           HN       SER  24 -13.673 -27.664 -10.621
  188    HA   SER  24           HA       SER  24 -13.698 -30.242 -11.385
  189    HB2  SER  24           HB2      SER  24 -11.213 -30.113 -11.734
  190    HB3  SER  24           HB1      SER  24 -12.127 -28.759 -12.392
  191    HG   SER  24           HG       SER  24 -10.241 -28.815 -10.397
  192    H    THR  25           HN       THR  25 -11.894 -29.062  -8.665
  193    HA   THR  25           HA       THR  25 -10.733 -31.425  -7.831
  194    HB   THR  25           HB       THR  25 -10.098 -29.201  -7.082
  195    HG1  THR  25           HG1      THR  25  -9.521 -31.009  -5.798
  196   HG21  THR  25          HG21      THR  25 -12.441 -28.360  -6.741
  197   HG22  THR  25          HG22      THR  25 -11.238 -27.889  -5.543
  198   HG23  THR  25          HG23      THR  25 -12.392 -29.173  -5.177
  199    H    PHE  26           HN       PHE  26 -13.866 -30.096  -7.074
  200    HA   PHE  26           HA       PHE  26 -14.648 -31.748  -4.954
  201    HB2  PHE  26           HB2      PHE  26 -16.404 -30.577  -7.126
  202    HB3  PHE  26           HB1      PHE  26 -16.959 -31.180  -5.569
  203    HD1  PHE  26           HD2      PHE  26 -14.206 -29.815  -4.398
  204    HD2  PHE  26           HD1      PHE  26 -17.692 -28.546  -6.478
  205    HE1  PHE  26           HE2      PHE  26 -13.958 -27.573  -3.431
  206    HE2  PHE  26           HE1      PHE  26 -17.456 -26.301  -5.517
  207    HZ   PHE  26           HZ       PHE  26 -15.585 -25.805  -3.981
  208    H    LEU  27           HN       LEU  27 -15.477 -32.075  -8.393
  209    HA   LEU  27           HA       LEU  27 -15.410 -34.976  -8.179
  210    HB2  LEU  27           HB2      LEU  27 -17.730 -34.031  -7.559
  211    HB3  LEU  27           HB1      LEU  27 -17.875 -33.622  -9.255
  212    HG   LEU  27           HG       LEU  27 -17.351 -36.443  -8.332
  213   HD11  LEU  27          HD11      LEU  27 -19.996 -35.064  -8.791
  214   HD12  LEU  27          HD12      LEU  27 -19.405 -35.741  -7.271
  215   HD13  LEU  27          HD13      LEU  27 -19.782 -36.807  -8.624
  216   HD21  LEU  27          HD21      LEU  27 -18.123 -37.075 -10.482
  217   HD22  LEU  27          HD22      LEU  27 -16.949 -35.779 -10.727
  218   HD23  LEU  27          HD23      LEU  27 -18.677 -35.437 -10.839
  Start of MODEL    9
    1    H    GLY   1           H        GLY   1 -23.898  -9.441  -3.067
    2    HA2  GLY   1           HA1      GLY   1 -23.396  -7.304  -4.366
    3    HA3  GLY   1           HA2      GLY   1 -22.134  -8.511  -4.186
    4    H    TYR   2           HN       TYR   2 -21.717  -6.884  -6.183
    5    HA   TYR   2           HA       TYR   2 -22.968  -7.677  -8.637
    6    HB2  TYR   2           HB2      TYR   2 -21.888  -5.418  -8.177
    7    HB3  TYR   2           HB1      TYR   2 -20.328  -6.225  -8.313
    8    HD1  TYR   2           HD2      TYR   2 -22.657  -7.686 -10.551
    9    HD2  TYR   2           HD1      TYR   2 -20.104  -4.308 -10.102
   10    HE1  TYR   2           HE2      TYR   2 -22.702  -7.335 -12.980
   11    HE2  TYR   2           HE1      TYR   2 -20.147  -3.946 -12.537
   12    HH   TYR   2           HH       TYR   2 -20.935  -4.657 -14.512
   13    H    ILE   3           HN       ILE   3 -22.585  -9.536  -9.649
   14    HA   ILE   3           HA       ILE   3 -20.145 -11.011  -9.032
   15    HB   ILE   3           HB       ILE   3 -22.634 -11.849 -10.515
   16   HG12  ILE   3          HG12      ILE   3 -21.602 -12.357  -7.731
   17   HG13  ILE   3          HG11      ILE   3 -23.101 -11.556  -8.201
   18   HG21  ILE   3          HG21      ILE   3 -20.376 -13.615  -9.605
   19   HG22  ILE   3          HG22      ILE   3 -20.537 -13.003 -11.252
   20   HG23  ILE   3          HG23      ILE   3 -21.775 -14.063 -10.577
   21   HD11  ILE   3          HD11      ILE   3 -22.976 -14.112  -7.402
   22   HD12  ILE   3          HD12      ILE   3 -22.769 -14.327  -9.139
   23   HD13  ILE   3          HD13      ILE   3 -24.195 -13.504  -8.522
   24    HA   PRO   4           HA       PRO   4 -18.510  -9.618 -12.979
   25    HB2  PRO   4           HB2      PRO   4 -15.992 -10.423 -12.548
   26    HB3  PRO   4           HB1      PRO   4 -16.663  -9.017 -11.712
   27    HG2  PRO   4           HG2      PRO   4 -16.293 -11.819 -10.710
   28    HG3  PRO   4           HG1      PRO   4 -15.971 -10.280  -9.884
   29    HD2  PRO   4           HD2      PRO   4 -18.236 -11.775  -9.503
   30    HD3  PRO   4           HD1      PRO   4 -18.152 -10.021  -9.257
   31    H    ARG   5           HN       ARG   5 -16.596 -10.900 -14.316
   32    HA   ARG   5           HA       ARG   5 -17.895 -13.263 -15.328
   33    HB2  ARG   5           HB2      ARG   5 -16.743 -11.617 -16.801
   34    HB3  ARG   5           HB1      ARG   5 -15.212 -12.039 -16.043
   35    HG2  ARG   5           HG2      ARG   5 -15.533 -14.371 -16.857
   36    HG3  ARG   5           HG1      ARG   5 -16.956 -13.805 -17.739
   37    HD2  ARG   5           HD2      ARG   5 -14.976 -13.877 -19.182
   38    HD3  ARG   5           HD1      ARG   5 -15.593 -12.236 -18.993
   39    HE   ARG   5           HE       ARG   5 -13.628 -11.644 -17.968
   40   HH11  ARG   5          HH11      ARG   5 -13.822 -15.124 -18.113
   41   HH12  ARG   5          HH12      ARG   5 -12.233 -15.371 -17.464
   42   HH21  ARG   5          HH21      ARG   5 -11.558 -11.963 -17.058
   43   HH22  ARG   5          HH22      ARG   5 -10.959 -13.583 -16.836
   44    H    ALA   6           HN       ALA   6 -17.390 -15.336 -14.874
   45    HA   ALA   6           HA       ALA   6 -15.862 -15.947 -12.600
   46    HB1  ALA   6           HB1      ALA   6 -17.502 -17.373 -14.474
   47    HB2  ALA   6           HB2      ALA   6 -17.065 -17.804 -12.817
   48    HB3  ALA   6           HB3      ALA   6 -16.025 -18.286 -14.159
   49    HA   PRO   7           HA       PRO   7 -11.780 -15.869 -14.422
   50    HB2  PRO   7           HB2      PRO   7 -10.421 -16.746 -12.265
   51    HB3  PRO   7           HB1      PRO   7 -11.109 -15.114 -12.342
   52    HG2  PRO   7           HG2      PRO   7 -12.219 -17.581 -11.017
   53    HG3  PRO   7           HG1      PRO   7 -12.100 -15.925 -10.379
   54    HD2  PRO   7           HD2      PRO   7 -14.395 -16.925 -11.435
   55    HD3  PRO   7           HD1      PRO   7 -13.952 -15.210 -11.566
   56    H    ARG   8           HN       ARG   8 -12.893 -17.764 -15.637
   57    HA   ARG   8           HA       ARG   8 -12.004 -20.384 -14.816
   58    HB2  ARG   8           HB2      ARG   8 -13.185 -21.106 -16.853
   59    HB3  ARG   8           HB1      ARG   8 -14.150 -20.237 -15.683
   60    HG2  ARG   8           HG2      ARG   8 -13.412 -18.194 -17.265
   61    HG3  ARG   8           HG1      ARG   8 -13.440 -19.511 -18.442
   62    HD2  ARG   8           HD2      ARG   8 -15.680 -18.525 -16.687
   63    HD3  ARG   8           HD1      ARG   8 -15.607 -18.537 -18.448
   64    HE   ARG   8           HE       ARG   8 -16.509 -20.640 -16.766
   65   HH11  ARG   8          HH11      ARG   8 -14.774 -20.042 -19.741
   66   HH12  ARG   8          HH12      ARG   8 -15.166 -21.582 -20.435
   67   HH21  ARG   8          HH21      ARG   8 -17.062 -22.653 -17.682
   68   HH22  ARG   8          HH22      ARG   8 -16.451 -23.073 -19.254
   69    H    ASP   9           HN       ASP   9  -9.910 -19.192 -15.008
   70    HA   ASP   9           HA       ASP   9  -8.635 -19.541 -17.612
   71    HB2  ASP   9           HB2      ASP   9  -6.785 -18.226 -16.635
   72    HB3  ASP   9           HB1      ASP   9  -8.324 -17.385 -16.529
   73    H    GLY  10           HN       GLY  10  -9.313 -21.880 -16.522
   74    HA2  GLY  10           HA2      GLY  10  -7.887 -23.862 -16.579
   75    HA3  GLY  10           HA1      GLY  10  -6.739 -22.977 -15.578
   76    H    GLN  11           HN       GLN  11  -9.723 -22.125 -14.617
   77    HA   GLN  11           HA       GLN  11 -10.116 -24.259 -12.713
   78    HB2  GLN  11           HB2      GLN  11  -9.681 -21.354 -12.120
   79    HB3  GLN  11           HB1      GLN  11 -10.743 -22.296 -11.099
   80    HG2  GLN  11           HG2      GLN  11  -8.834 -22.598  -9.944
   81    HG3  GLN  11           HG1      GLN  11  -8.641 -23.922 -11.084
   82   HE21  GLN  11          HE21      GLN  11  -8.323 -21.093 -12.750
   83   HE22  GLN  11          HE22      GLN  11  -6.603 -20.943 -12.718
   84    H    ALA  12           HN       ALA  12 -11.996 -24.953 -13.148
   85    HA   ALA  12           HA       ALA  12 -14.030 -23.415 -14.485
   86    HB1  ALA  12           HB1      ALA  12 -13.772 -25.655 -15.203
   87    HB2  ALA  12           HB2      ALA  12 -15.283 -25.611 -14.293
   88    HB3  ALA  12           HB3      ALA  12 -13.827 -26.268 -13.549
   89    H    TYR  13           HN       TYR  13 -15.210 -22.009 -13.234
   90    HA   TYR  13           HA       TYR  13 -15.854 -22.876 -10.519
   91    HB2  TYR  13           HB2      TYR  13 -15.969 -20.165 -11.823
   92    HB3  TYR  13           HB1      TYR  13 -16.867 -20.507 -10.358
   93    HD1  TYR  13           HD2      TYR  13 -13.817 -22.371 -10.583
   94    HD2  TYR  13           HD1      TYR  13 -15.467 -18.625  -9.456
   95    HE1  TYR  13           HE2      TYR  13 -11.832 -21.913  -9.221
   96    HE2  TYR  13           HE1      TYR  13 -13.490 -18.154  -8.091
   97    HH   TYR  13           HH       TYR  13 -10.823 -19.151  -8.310
   98    H    VAL  14           HN       VAL  14 -17.783 -23.316  -9.781
   99    HA   VAL  14           HA       VAL  14 -19.963 -23.491 -11.723
  100    HB   VAL  14           HB       VAL  14 -19.459 -25.581 -10.642
  101   HG11  VAL  14          HG11      VAL  14 -18.421 -25.147  -8.625
  102   HG12  VAL  14          HG12      VAL  14 -20.001 -25.743  -8.111
  103   HG13  VAL  14          HG13      VAL  14 -19.671 -24.007  -8.121
  104   HG21  VAL  14          HG21      VAL  14 -21.823 -25.062 -11.128
  105   HG22  VAL  14          HG22      VAL  14 -22.011 -24.548  -9.451
  106   HG23  VAL  14          HG23      VAL  14 -21.605 -26.224  -9.820
  107    H    ARG  15           HN       ARG  15 -22.076 -22.887 -11.002
  108    HA   ARG  15           HA       ARG  15 -22.006 -20.338  -9.640
  109    HB2  ARG  15           HB2      ARG  15 -24.352 -21.779 -10.878
  110    HB3  ARG  15           HB1      ARG  15 -24.343 -20.115 -10.322
  111    HG2  ARG  15           HG2      ARG  15 -22.619 -19.596 -12.018
  112    HG3  ARG  15           HG1      ARG  15 -22.754 -21.254 -12.617
  113    HD2  ARG  15           HD2      ARG  15 -24.909 -19.147 -12.555
  114    HD3  ARG  15           HD1      ARG  15 -24.132 -19.841 -13.981
  115    HE   ARG  15           HE       ARG  15 -25.188 -22.001 -12.709
  116   HH11  ARG  15          HH11      ARG  15 -26.515 -18.948 -13.787
  117   HH12  ARG  15          HH12      ARG  15 -28.094 -19.602 -14.103
  118   HH21  ARG  15          HH21      ARG  15 -27.251 -22.860 -13.128
  119   HH22  ARG  15          HH22      ARG  15 -28.511 -21.832 -13.731
  120    H    LYS  16           HN       LYS  16 -22.453 -19.962  -7.644
  121    HA   LYS  16           HA       LYS  16 -24.213 -21.804  -6.171
  122    HB2  LYS  16           HB2      LYS  16 -21.775 -20.321  -5.187
  123    HB3  LYS  16           HB1      LYS  16 -23.008 -20.927  -4.091
  124    HG2  LYS  16           HG2      LYS  16 -21.243 -22.529  -5.918
  125    HG3  LYS  16           HG1      LYS  16 -21.213 -22.492  -4.155
  126    HD2  LYS  16           HD2      LYS  16 -23.613 -23.363  -4.257
  127    HD3  LYS  16           HD1      LYS  16 -23.306 -23.682  -5.965
  128    HE2  LYS  16           HE2      LYS  16 -22.905 -25.701  -4.685
  129    HE3  LYS  16           HE1      LYS  16 -21.383 -25.097  -5.329
  130    HZ1  LYS  16           HZ1      LYS  16 -20.778 -24.247  -3.206
  131    HZ2  LYS  16           HZ2      LYS  16 -21.302 -25.849  -2.966
  132    HZ3  LYS  16           HZ3      LYS  16 -22.324 -24.560  -2.556
  133    H    ASP  17           HN       ASP  17 -25.086 -20.363  -4.122
  134    HA   ASP  17           HA       ASP  17 -26.564 -18.322  -5.428
  135    HB2  ASP  17           HB2      ASP  17 -26.378 -17.995  -2.556
  136    HB3  ASP  17           HB1      ASP  17 -27.784 -18.106  -3.590
  137    H    GLY  18           HN       GLY  18 -25.499 -16.818  -6.218
  138    HA2  GLY  18           HA2      GLY  18 -24.342 -14.879  -6.515
  139    HA3  GLY  18           HA1      GLY  18 -24.516 -14.640  -4.797
  140    H    GLU  19           HN       GLU  19 -22.900 -17.546  -5.547
  141    HA   GLU  19           HA       GLU  19 -20.290 -16.226  -5.099
  142    HB2  GLU  19           HB2      GLU  19 -21.335 -18.802  -3.923
  143    HB3  GLU  19           HB1      GLU  19 -19.661 -18.294  -3.798
  144    HG2  GLU  19           HG2      GLU  19 -21.919 -16.592  -2.824
  145    HG3  GLU  19           HG1      GLU  19 -21.162 -17.833  -1.825
  146    H    TRP  20           HN       TRP  20 -18.442 -17.075  -6.003
  147    HA   TRP  20           HA       TRP  20 -18.827 -19.122  -8.100
  148    HB2  TRP  20           HB2      TRP  20 -16.977 -16.741  -8.017
  149    HB3  TRP  20           HB1      TRP  20 -16.571 -18.149  -8.969
  150    HD1  TRP  20           HD1      TRP  20 -18.069 -14.908  -9.464
  151    HE1  TRP  20           HE1      TRP  20 -19.576 -14.892 -11.563
  152    HE3  TRP  20           HE3      TRP  20 -18.562 -19.935 -10.151
  153    HZ2  TRP  20           HZ2      TRP  20 -20.806 -16.772 -13.278
  154    HZ3  TRP  20           HZ3      TRP  20 -19.911 -20.757 -12.019
  155    HH2  TRP  20           HH2      TRP  20 -21.018 -19.204 -13.563
  156    H    VAL  21           HN       VAL  21 -17.789 -20.889  -7.962
  157    HA   VAL  21           HA       VAL  21 -15.587 -21.171  -6.036
  158    HB   VAL  21           HB       VAL  21 -17.064 -23.467  -5.840
  159   HG11  VAL  21          HG11      VAL  21 -16.796 -21.063  -4.115
  160   HG12  VAL  21          HG12      VAL  21 -16.118 -22.678  -3.885
  161   HG13  VAL  21          HG13      VAL  21 -17.842 -22.399  -3.624
  162   HG21  VAL  21          HG21      VAL  21 -19.079 -21.372  -5.399
  163   HG22  VAL  21          HG22      VAL  21 -19.284 -23.080  -5.798
  164   HG23  VAL  21          HG23      VAL  21 -18.795 -21.930  -7.046
  165    H    LEU  22           HN       LEU  22 -14.235 -23.016  -6.441
  166    HA   LEU  22           HA       LEU  22 -14.144 -23.758  -9.206
  167    HB2  LEU  22           HB2      LEU  22 -12.121 -23.386  -7.704
  168    HB3  LEU  22           HB1      LEU  22 -12.494 -24.945  -6.985
  169    HG   LEU  22           HG       LEU  22 -12.131 -26.075  -9.051
  170   HD11  LEU  22          HD11      LEU  22 -12.886 -24.924 -10.806
  171   HD12  LEU  22          HD12      LEU  22 -11.187 -24.469 -10.936
  172   HD13  LEU  22          HD13      LEU  22 -12.332 -23.375 -10.161
  173   HD21  LEU  22          HD21      LEU  22 -10.108 -25.502  -7.749
  174   HD22  LEU  22          HD22      LEU  22  -9.940 -24.042  -8.725
  175   HD23  LEU  22          HD23      LEU  22  -9.804 -25.625  -9.481
  176    H    LEU  23           HN       LEU  23 -14.638 -25.750 -10.122
  177    HA   LEU  23           HA       LEU  23 -16.136 -27.500  -8.287
  178    HB2  LEU  23           HB2      LEU  23 -17.694 -27.901  -9.930
  179    HB3  LEU  23           HB1      LEU  23 -17.225 -26.245 -10.261
  180    HG   LEU  23           HG       LEU  23 -15.477 -27.488 -11.830
  181   HD11  LEU  23          HD11      LEU  23 -16.946 -29.617 -11.046
  182   HD12  LEU  23          HD12      LEU  23 -16.035 -29.520 -12.555
  183   HD13  LEU  23          HD13      LEU  23 -17.763 -29.157 -12.544
  184   HD21  LEU  23          HD21      LEU  23 -17.105 -25.692 -12.404
  185   HD22  LEU  23          HD22      LEU  23 -18.318 -26.950 -12.653
  186   HD23  LEU  23          HD23      LEU  23 -16.879 -26.898 -13.671
  187    H    SER  24           HN       SER  24 -13.681 -27.348 -10.698
  188    HA   SER  24           HA       SER  24 -13.365 -29.912 -11.602
  189    HB2  SER  24           HB2      SER  24 -10.847 -29.383 -11.491
  190    HB3  SER  24           HB1      SER  24 -11.869 -28.308 -12.438
  191    HG   SER  24           HG       SER  24 -10.297 -27.352 -10.878
  192    H    THR  25           HN       THR  25 -12.203 -28.524  -8.676
  193    HA   THR  25           HA       THR  25 -10.752 -30.577  -7.583
  194    HB   THR  25           HB       THR  25 -11.320 -29.441  -5.404
  195    HG1  THR  25           HG1      THR  25 -12.800 -27.896  -5.383
  196   HG21  THR  25          HG21      THR  25 -10.147 -27.452  -5.864
  197   HG22  THR  25          HG22      THR  25 -10.658 -27.457  -7.551
  198   HG23  THR  25          HG23      THR  25  -9.503 -28.657  -6.976
  199    H    PHE  26           HN       PHE  26 -14.187 -30.095  -7.590
  200    HA   PHE  26           HA       PHE  26 -14.990 -31.809  -5.549
  201    HB2  PHE  26           HB2      PHE  26 -16.397 -31.046  -8.106
  202    HB3  PHE  26           HB1      PHE  26 -17.162 -31.966  -6.821
  203    HD1  PHE  26           HD2      PHE  26 -14.963 -29.769  -5.267
  204    HD2  PHE  26           HD1      PHE  26 -18.703 -29.808  -7.299
  205    HE1  PHE  26           HE2      PHE  26 -15.608 -27.712  -4.110
  206    HE2  PHE  26           HE1      PHE  26 -19.351 -27.745  -6.145
  207    HZ   PHE  26           HZ       PHE  26 -17.795 -26.683  -4.545
  208    H    LEU  27           HN       LEU  27 -14.132 -32.595  -8.882
  209    HA   LEU  27           HA       LEU  27 -14.573 -35.425  -8.191
  210    HB2  LEU  27           HB2      LEU  27 -16.120 -34.590  -9.946
  211    HB3  LEU  27           HB1      LEU  27 -14.732 -34.194 -10.942
  212    HG   LEU  27           HG       LEU  27 -14.118 -36.589 -10.997
  213   HD11  LEU  27          HD11      LEU  27 -15.102 -37.308  -8.907
  214   HD12  LEU  27          HD12      LEU  27 -15.752 -38.253 -10.241
  215   HD13  LEU  27          HD13      LEU  27 -16.718 -36.969  -9.520
  216   HD21  LEU  27          HD21      LEU  27 -16.969 -36.201 -11.873
  217   HD22  LEU  27          HD22      LEU  27 -15.734 -37.226 -12.605
  218   HD23  LEU  27          HD23      LEU  27 -15.593 -35.472 -12.703
  Start of MODEL   10
    1    H    GLY   1           H        GLY   1 -27.806  -7.056  -6.393
    2    HA2  GLY   1           HA1      GLY   1 -25.675  -6.579  -6.618
    3    HA3  GLY   1           HA2      GLY   1 -25.362  -8.152  -5.894
    4    H    TYR   2           HN       TYR   2 -23.910  -6.572  -7.968
    5    HA   TYR   2           HA       TYR   2 -24.200  -8.181 -10.365
    6    HB2  TYR   2           HB2      TYR   2 -23.709  -5.750 -10.516
    7    HB3  TYR   2           HB1      TYR   2 -22.169  -6.025  -9.712
    8    HD1  TYR   2           HD1      TYR   2 -20.505  -7.627 -10.914
    9    HD2  TYR   2           HD2      TYR   2 -23.848  -5.820 -12.826
   10    HE1  TYR   2           HE1      TYR   2 -19.440  -7.980 -13.097
   11    HE2  TYR   2           HE2      TYR   2 -22.792  -6.173 -15.015
   12    HH   TYR   2           HH       TYR   2 -20.915  -7.963 -15.900
   13    H    ILE   3           HN       ILE   3 -23.206 -10.054 -10.640
   14    HA   ILE   3           HA       ILE   3 -21.031 -10.818  -8.853
   15    HB   ILE   3           HB       ILE   3 -22.245 -12.580 -10.973
   16   HG12  ILE   3          HG12      ILE   3 -23.338 -11.825  -8.272
   17   HG13  ILE   3          HG11      ILE   3 -24.176 -11.888  -9.815
   18   HG21  ILE   3          HG21      ILE   3 -21.280 -13.441  -8.272
   19   HG22  ILE   3          HG22      ILE   3 -20.117 -13.105  -9.554
   20   HG23  ILE   3          HG23      ILE   3 -21.344 -14.356  -9.778
   21   HD11  ILE   3          HD11      ILE   3 -23.101 -14.379  -8.566
   22   HD12  ILE   3          HD12      ILE   3 -24.388 -14.196  -9.758
   23   HD13  ILE   3          HD13      ILE   3 -24.661 -13.711  -8.083
   24    HA   PRO   4           HA       PRO   4 -18.088  -9.716 -12.009
   25    HB2  PRO   4           HB2      PRO   4 -15.897 -10.877 -10.869
   26    HB3  PRO   4           HB1      PRO   4 -16.558  -9.328 -10.338
   27    HG2  PRO   4           HG2      PRO   4 -16.947 -12.057  -9.159
   28    HG3  PRO   4           HG1      PRO   4 -16.656 -10.514  -8.334
   29    HD2  PRO   4           HD2      PRO   4 -19.118 -11.596  -8.511
   30    HD3  PRO   4           HD1      PRO   4 -18.860  -9.848  -8.541
   31    H    ARG   5           HN       ARG   5 -16.866 -10.751 -13.677
   32    HA   ARG   5           HA       ARG   5 -17.822 -13.355 -14.370
   33    HB2  ARG   5           HB2      ARG   5 -17.219 -11.594 -16.039
   34    HB3  ARG   5           HB1      ARG   5 -15.530 -11.827 -15.605
   35    HG2  ARG   5           HG2      ARG   5 -15.885 -14.275 -16.250
   36    HG3  ARG   5           HG1      ARG   5 -17.380 -13.721 -17.013
   37    HD2  ARG   5           HD2      ARG   5 -15.583 -13.806 -18.647
   38    HD3  ARG   5           HD1      ARG   5 -16.080 -12.136 -18.378
   39    HE   ARG   5           HE       ARG   5 -13.551 -13.374 -17.570
   40   HH11  ARG   5          HH11      ARG   5 -15.567 -10.517 -17.703
   41   HH12  ARG   5          HH12      ARG   5 -14.312  -9.446 -17.142
   42   HH21  ARG   5          HH21      ARG   5 -11.897 -11.978 -16.851
   43   HH22  ARG   5          HH22      ARG   5 -12.223 -10.279 -16.674
   44    H    ALA   6           HN       ALA   6 -17.087 -15.199 -13.600
   45    HA   ALA   6           HA       ALA   6 -14.877 -15.432 -11.892
   46    HB1  ALA   6           HB1      ALA   6 -16.890 -16.966 -12.040
   47    HB2  ALA   6           HB2      ALA   6 -15.321 -17.738 -11.814
   48    HB3  ALA   6           HB3      ALA   6 -16.077 -17.729 -13.406
   49    HA   PRO   7           HA       PRO   7 -11.586 -15.988 -14.854
   50    HB2  PRO   7           HB2      PRO   7  -9.612 -16.512 -13.114
   51    HB3  PRO   7           HB1      PRO   7 -10.323 -14.897 -13.235
   52    HG2  PRO   7           HG2      PRO   7 -10.787 -17.022 -11.190
   53    HG3  PRO   7           HG1      PRO   7 -10.676 -15.267 -10.977
   54    HD2  PRO   7           HD2      PRO   7 -13.038 -16.706 -11.114
   55    HD3  PRO   7           HD1      PRO   7 -12.889 -14.964 -11.411
   56    H    ARG   8           HN       ARG   8 -13.267 -18.053 -14.923
   57    HA   ARG   8           HA       ARG   8 -11.991 -20.475 -14.047
   58    HB2  ARG   8           HB2      ARG   8 -14.010 -21.516 -15.092
   59    HB3  ARG   8           HB1      ARG   8 -14.253 -20.425 -13.748
   60    HG2  ARG   8           HG2      ARG   8 -14.883 -18.635 -15.317
   61    HG3  ARG   8           HG1      ARG   8 -14.711 -19.788 -16.644
   62    HD2  ARG   8           HD2      ARG   8 -16.462 -21.178 -15.699
   63    HD3  ARG   8           HD1      ARG   8 -16.602 -20.095 -14.314
   64    HE   ARG   8           HE       ARG   8 -17.000 -18.556 -16.606
   65   HH11  ARG   8          HH11      ARG   8 -18.528 -21.234 -14.981
   66   HH12  ARG   8          HH12      ARG   8 -20.135 -20.815 -15.489
   67   HH21  ARG   8          HH21      ARG   8 -19.107 -17.962 -17.268
   68   HH22  ARG   8          HH22      ARG   8 -20.467 -18.932 -16.787
   69    H    ASP   9           HN       ASP   9 -10.222 -19.797 -15.423
   70    HA   ASP   9           HA       ASP   9 -10.494 -20.722 -18.174
   71    HB2  ASP   9           HB2      ASP   9  -8.356 -19.653 -18.626
   72    HB3  ASP   9           HB1      ASP   9  -9.434 -18.521 -17.818
   73    H    GLY  10           HN       GLY  10  -8.420 -21.166 -15.338
   74    HA2  GLY  10           HA2      GLY  10  -7.785 -23.872 -16.357
   75    HA3  GLY  10           HA1      GLY  10  -6.667 -22.910 -15.390
   76    H    GLN  11           HN       GLN  11  -9.833 -22.468 -14.466
   77    HA   GLN  11           HA       GLN  11 -10.009 -24.633 -12.599
   78    HB2  GLN  11           HB2      GLN  11 -10.400 -22.833 -10.782
   79    HB3  GLN  11           HB1      GLN  11  -8.754 -23.290 -11.175
   80    HG2  GLN  11           HG2      GLN  11  -8.726 -21.302 -12.721
   81    HG3  GLN  11           HG1      GLN  11 -10.246 -20.814 -11.975
   82   HE21  GLN  11          HE21      GLN  11  -7.056 -20.260 -11.907
   83   HE22  GLN  11          HE22      GLN  11  -6.868 -19.767 -10.262
   84    H    ALA  12           HN       ALA  12 -11.937 -25.247 -13.168
   85    HA   ALA  12           HA       ALA  12 -14.013 -23.699 -14.260
   86    HB1  ALA  12           HB1      ALA  12 -14.277 -25.894 -14.795
   87    HB2  ALA  12           HB2      ALA  12 -15.318 -25.858 -13.371
   88    HB3  ALA  12           HB3      ALA  12 -13.665 -26.455 -13.241
   89    H    TYR  13           HN       TYR  13 -15.477 -22.360 -13.250
   90    HA   TYR  13           HA       TYR  13 -15.763 -22.795 -10.361
   91    HB2  TYR  13           HB2      TYR  13 -15.658 -20.222 -11.892
   92    HB3  TYR  13           HB1      TYR  13 -16.583 -20.309 -10.408
   93    HD1  TYR  13           HD1      TYR  13 -13.415 -22.122 -11.093
   94    HD2  TYR  13           HD2      TYR  13 -15.297 -18.936  -9.021
   95    HE1  TYR  13           HE1      TYR  13 -11.377 -21.780  -9.774
   96    HE2  TYR  13           HE2      TYR  13 -13.270 -18.584  -7.694
   97    HH   TYR  13           HH       TYR  13 -10.284 -20.011  -8.494
   98    H    VAL  14           HN       VAL  14 -17.619 -23.271  -9.527
   99    HA   VAL  14           HA       VAL  14 -19.984 -23.375 -11.233
  100    HB   VAL  14           HB       VAL  14 -19.513 -25.390 -10.028
  101   HG11  VAL  14          HG11      VAL  14 -18.209 -24.902  -8.198
  102   HG12  VAL  14          HG12      VAL  14 -19.755 -25.286  -7.442
  103   HG13  VAL  14          HG13      VAL  14 -19.281 -23.605  -7.669
  104   HG21  VAL  14          HG21      VAL  14 -21.891 -24.779 -10.265
  105   HG22  VAL  14          HG22      VAL  14 -21.831 -24.108  -8.635
  106   HG23  VAL  14          HG23      VAL  14 -21.562 -25.832  -8.888
  107    H    ARG  15           HN       ARG  15 -22.065 -22.652 -10.261
  108    HA   ARG  15           HA       ARG  15 -21.622 -20.004  -9.142
  109    HB2  ARG  15           HB2      ARG  15 -24.138 -21.242 -10.232
  110    HB3  ARG  15           HB1      ARG  15 -23.978 -19.574  -9.704
  111    HG2  ARG  15           HG2      ARG  15 -22.069 -19.459 -11.457
  112    HG3  ARG  15           HG1      ARG  15 -22.832 -20.910 -12.118
  113    HD2  ARG  15           HD2      ARG  15 -24.123 -18.218 -11.690
  114    HD3  ARG  15           HD1      ARG  15 -23.702 -18.955 -13.235
  115    HE   ARG  15           HE       ARG  15 -25.396 -20.743 -12.015
  116   HH11  ARG  15          HH11      ARG  15 -25.537 -17.402 -13.052
  117   HH12  ARG  15          HH12      ARG  15 -27.246 -17.427 -13.334
  118   HH21  ARG  15          HH21      ARG  15 -27.656 -20.761 -12.368
  119   HH22  ARG  15          HH22      ARG  15 -28.450 -19.320 -12.910
  120    H    LYS  16           HN       LYS  16 -21.890 -19.458  -7.145
  121    HA   LYS  16           HA       LYS  16 -23.642 -21.044  -5.380
  122    HB2  LYS  16           HB2      LYS  16 -21.187 -19.371  -4.826
  123    HB3  LYS  16           HB1      LYS  16 -22.371 -19.652  -3.557
  124    HG2  LYS  16           HG2      LYS  16 -21.040 -21.879  -5.067
  125    HG3  LYS  16           HG1      LYS  16 -20.372 -21.184  -3.590
  126    HD2  LYS  16           HD2      LYS  16 -22.453 -21.756  -2.404
  127    HD3  LYS  16           HD1      LYS  16 -23.073 -22.493  -3.883
  128    HE2  LYS  16           HE2      LYS  16 -22.166 -24.184  -2.368
  129    HE3  LYS  16           HE1      LYS  16 -21.238 -24.102  -3.865
  130    HZ1  LYS  16           HZ1      LYS  16 -20.071 -22.345  -2.003
  131    HZ2  LYS  16           HZ2      LYS  16 -19.415 -23.759  -2.670
  132    HZ3  LYS  16           HZ3      LYS  16 -20.305 -23.838  -1.232
  133    H    ASP  17           HN       ASP  17 -24.789 -19.485  -3.724
  134    HA   ASP  17           HA       ASP  17 -26.456 -17.824  -5.053
  135    HB2  ASP  17           HB2      ASP  17 -25.713 -17.971  -2.192
  136    HB3  ASP  17           HB1      ASP  17 -26.645 -16.574  -2.726
  137    H    GLY  18           HN       GLY  18 -23.361 -17.016  -4.037
  138    HA2  GLY  18           HA2      GLY  18 -23.276 -14.769  -5.718
  139    HA3  GLY  18           HA1      GLY  18 -23.239 -14.292  -4.031
  140    H    GLU  19           HN       GLU  19 -21.821 -17.332  -4.942
  141    HA   GLU  19           HA       GLU  19 -19.159 -16.090  -4.732
  142    HB2  GLU  19           HB2      GLU  19 -20.161 -18.586  -3.397
  143    HB3  GLU  19           HB1      GLU  19 -18.456 -18.194  -3.516
  144    HG2  GLU  19           HG2      GLU  19 -20.490 -16.403  -2.226
  145    HG3  GLU  19           HG1      GLU  19 -19.539 -17.603  -1.352
  146    H    TRP  20           HN       TRP  20 -17.473 -16.980  -5.867
  147    HA   TRP  20           HA       TRP  20 -18.228 -18.968  -7.904
  148    HB2  TRP  20           HB2      TRP  20 -16.174 -16.750  -7.959
  149    HB3  TRP  20           HB1      TRP  20 -16.022 -18.136  -9.008
  150    HD1  TRP  20           HD1      TRP  20 -17.319 -14.738  -9.178
  151    HE1  TRP  20           HE1      TRP  20 -19.019 -14.524 -11.107
  152    HE3  TRP  20           HE3      TRP  20 -18.235 -19.686 -10.025
  153    HZ2  TRP  20           HZ2      TRP  20 -20.548 -16.230 -12.757
  154    HZ3  TRP  20           HZ3      TRP  20 -19.808 -20.323 -11.779
  155    HH2  TRP  20           HH2      TRP  20 -20.951 -18.622 -13.132
  156    H    VAL  21           HN       VAL  21 -17.396 -20.860  -7.811
  157    HA   VAL  21           HA       VAL  21 -15.121 -21.354  -5.997
  158    HB   VAL  21           HB       VAL  21 -16.821 -23.544  -5.898
  159   HG11  VAL  21          HG11      VAL  21 -17.317 -22.673  -3.577
  160   HG12  VAL  21          HG12      VAL  21 -16.338 -21.272  -4.009
  161   HG13  VAL  21          HG13      VAL  21 -15.609 -22.876  -3.984
  162   HG21  VAL  21          HG21      VAL  21 -18.503 -21.168  -5.313
  163   HG22  VAL  21          HG22      VAL  21 -18.989 -22.840  -5.591
  164   HG23  VAL  21          HG23      VAL  21 -18.445 -21.842  -6.941
  165    H    LEU  22           HN       LEU  22 -13.801 -23.114  -6.486
  166    HA   LEU  22           HA       LEU  22 -13.719 -23.929  -9.221
  167    HB2  LEU  22           HB2      LEU  22 -11.873 -23.631  -7.267
  168    HB3  LEU  22           HB1      LEU  22 -12.156 -25.346  -7.151
  169    HG   LEU  22           HG       LEU  22 -10.892 -23.778  -9.353
  170   HD11  LEU  22          HD11      LEU  22  -9.168 -24.783  -8.373
  171   HD12  LEU  22          HD12      LEU  22  -9.711 -26.218  -9.243
  172   HD13  LEU  22          HD13      LEU  22 -10.195 -25.971  -7.566
  173   HD21  LEU  22          HD21      LEU  22 -12.024 -26.516  -9.799
  174   HD22  LEU  22          HD22      LEU  22 -11.193 -25.485 -10.964
  175   HD23  LEU  22          HD23      LEU  22 -12.790 -25.030 -10.362
  176    H    LEU  23           HN       LEU  23 -14.391 -25.918 -10.061
  177    HA   LEU  23           HA       LEU  23 -15.721 -27.675  -8.102
  178    HB2  LEU  23           HB2      LEU  23 -17.564 -27.911  -9.487
  179    HB3  LEU  23           HB1      LEU  23 -17.119 -26.226  -9.662
  180    HG   LEU  23           HG       LEU  23 -15.701 -27.278 -11.678
  181   HD11  LEU  23          HD11      LEU  23 -18.130 -28.999 -11.335
  182   HD12  LEU  23          HD12      LEU  23 -16.449 -29.494 -11.552
  183   HD13  LEU  23          HD13      LEU  23 -17.333 -28.767 -12.894
  184   HD21  LEU  23          HD21      LEU  23 -18.286 -26.780 -12.714
  185   HD22  LEU  23          HD22      LEU  23 -16.889 -25.704 -12.686
  186   HD23  LEU  23          HD23      LEU  23 -18.035 -25.698 -11.346
  187    H    SER  24           HN       SER  24 -13.779 -27.497 -10.984
  188    HA   SER  24           HA       SER  24 -13.853 -29.988 -12.082
  189    HB2  SER  24           HB2      SER  24 -11.390 -29.736 -12.557
  190    HB3  SER  24           HB1      SER  24 -12.392 -28.376 -13.047
  191    HG   SER  24           HG       SER  24 -10.281 -28.299 -11.512
  192    H    THR  25           HN       THR  25 -12.060 -28.994  -9.337
  193    HA   THR  25           HA       THR  25 -10.669 -31.306  -8.798
  194    HB   THR  25           HB       THR  25 -10.641 -30.332  -6.442
  195    HG1  THR  25           HG1      THR  25 -12.011 -28.815  -6.042
  196   HG21  THR  25          HG21      THR  25  -8.891 -29.806  -8.026
  197   HG22  THR  25          HG22      THR  25  -9.329 -28.374  -7.093
  198   HG23  THR  25          HG23      THR  25  -9.904 -28.557  -8.749
  199    H    PHE  26           HN       PHE  26 -13.946 -30.478  -8.074
  200    HA   PHE  26           HA       PHE  26 -14.495 -32.402  -6.069
  201    HB2  PHE  26           HB2      PHE  26 -16.382 -31.104  -8.049
  202    HB3  PHE  26           HB1      PHE  26 -16.879 -32.007  -6.629
  203    HD1  PHE  26           HD2      PHE  26 -14.136 -30.413  -5.433
  204    HD2  PHE  26           HD1      PHE  26 -18.032 -29.499  -6.874
  205    HE1  PHE  26           HE2      PHE  26 -14.139 -28.342  -4.107
  206    HE2  PHE  26           HE1      PHE  26 -18.041 -27.430  -5.555
  207    HZ   PHE  26           HZ       PHE  26 -16.093 -26.850  -4.166
  208    H    LEU  27           HN       LEU  27 -13.961 -32.754  -9.418
  209    HA   LEU  27           HA       LEU  27 -15.648 -35.081  -9.743
  210    HB2  LEU  27           HB2      LEU  27 -13.770 -33.570 -11.514
  211    HB3  LEU  27           HB1      LEU  27 -14.265 -35.192 -11.964
  212    HG   LEU  27           HG       LEU  27 -16.645 -34.421 -11.861
  213   HD11  LEU  27          HD11      LEU  27 -15.316 -31.953 -10.989
  214   HD12  LEU  27          HD12      LEU  27 -16.947 -32.540 -10.675
  215   HD13  LEU  27          HD13      LEU  27 -16.575 -31.747 -12.206
  216   HD21  LEU  27          HD21      LEU  27 -14.607 -33.619 -13.789
  217   HD22  LEU  27          HD22      LEU  27 -16.095 -32.673 -13.872
  218   HD23  LEU  27          HD23      LEU  27 -16.153 -34.428 -14.037