*HEADER    CALCIUM-BINDING PROTEIN                 30-JUL-03   1Q3M              
*TITLE     1H NMR STRUCTURE BUNDLE OF BOVINE CA2+-OSTEOCALCIN                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OSTEOCALCIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GAMMA-CARBOXYGLUTAMIC ACID-CONTAINING PROTEIN,              
*COMPND   5 BONE GLA-PROTEIN, BGP                                                
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: BOVINE;                                             
*SOURCE   4 OTHER_DETAILS: BONE POWDER                                           
*KEYWDS    BONE PROTEIN, CALCIUM BINDING PROTEIN                                 
*EXPDTA    NMR, 13 STRUCTURES                                                    
*AUTHOR    T.L.DOWD, J.F.ROSEN, L.LI, C.M.GUNDBERG                               
*REVDAT   1   16-SEP-03 1Q3M    0                                                


!remark Ca and Cb shifts
 assign (resid  1  and name c ) (resid  2  and name n ) 
        (resid  2  and name ca) (resid  2  and name c )
	(resid  3  and name n )  			  55.25 42.49 
 assign (resid  2  and name c ) (resid  3  and name n ) 
        (resid  3  and name ca) (resid  3  and name c )  
	(resid  4  and name n ) 			  56.54 41.28 
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c ) 
	(resid  5  and name n ) 			  $noexpectation $noexpectation 
 assign (resid  4  and name c ) (resid  5  and name n )
        (resid  5  and name ca) (resid  5  and name c )
	(resid  6  and name n )			          $noexpectation 31.21
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )
	(resid  7  and name n )          		  56.65 42.27 
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )
	(resid  8  and name n )   			  44.45 00.00 
 assign (resid  7  and name c ) (resid  8  and name n )
        (resid  8  and name ca) (resid  8  and name c )
        (resid  9  and name n )   			  51.65 18.53
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c ) 
	(resid  10  and name n )  		          63.74 31.20 
 assign (resid  9  and name c ) (resid  10  and name n )
        (resid 10  and name ca) (resid  10  and name c )
	(resid 11 and name n )   			  54.34 18.55
 assign (resid 10 and name c ) (resid 11 and name n ) 
        (resid 11 and name ca) (resid 11 and name c ) 
	(resid 12 and name n )    			  63.13 30.86 
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )   
	(resid 13 and name n )  		          $noexpectation 39.67 
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )
	(resid 14 and name n )     			  65.29 31.19 
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )
	(resid 15 and name n )     			  $noexpectation 40.16 
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )
	(resid 16 and name n )     			  63.63 31.64 
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c ) 
	(resid 17 and name n )    			  55.47 42.47 
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c ) 
	(resid 18 and name n )    			  $noexpectation $noexpectation 
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )
	(resid 19 and name n )     			  63.60 32.22 
assign  (resid 18 and name c ) (resid 19 and name n )
        (resid 19 and name ca) (resid 19 and name c )
        (resid 20 and name n )     			  57.50 31.75
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )
	(resid 21 and name n )     			  59.95 30.67 
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )
	(resid 22 and name n )     			  $noexpectation $noexpectation
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )
	(resid 23 and name n )     		          66.52 32.04 
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )
	(resid 24 and name n ) 		          	  $noexpectation 36.04
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )
	(resid 25 and name n )   			  $noexpectation $noexpectation
 assign (resid 24 and name c ) (resid 25 and name n )
        (resid 25 and name ca) (resid 25 and name c )
	(resid 26 and name n )   			  56.91 42.67
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c ) 
	(resid 27 and name n )    			  49.35 $noexpecation 
 assign (resid 26 and name c ) (resid 27 and name n )
        (resid 27 and name ca) (resid 27 and name c )
	(resid 28 and name n )     			  63.64 32.17 
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )
	(resid 29 and name n )    			  $noexpectation 40.53 
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c ) 
	(resid 30 and name n )    			  57.80 35.02 
 assign (resid 29 and name c ) (resid 30 and name n )
        (resid 30 and name ca) (resid 30 and name c )
        (resid 31 and name n )    			  59.73 40.98
 assign (resid 30 and name c ) (resid 31 and name n )
        (resid 31 and name ca) (resid 31 and name c )
        (resid 32 and name n )    			  57.39 29.80
 assign (resid 31 and name c ) (resid 32 and name n ) 
        (resid 32 and name ca) (resid 32 and name c ) 
        (resid 33 and name n )    			  55.91 41.32 
 assign (resid 32 and name c ) (resid 33 and name n )
        (resid 33 and name ca) (resid 33 and name c )
        (resid 34 and name n )    			  54.54 18.44
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )
        (resid 35 and name n )    			  55.61 40.36
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )
        (resid 36 and name n )    			  $noexpectation 29.30
 assign (resid 35 and name c ) (resid 36 and name n )
        (resid 36 and name ca) (resid 36 and name c )
        (resid 37 and name n )    			  61.88 39.90
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )   
 	(resid 38 and name n )  			  45.87 0.00
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c ) 
	(resid 39 and name n )    			  56.98 40.65 
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )
        (resid 40 and name n )    			  $noexpectation 29.69
 assign (resid 39 and name c ) (resid 40 and name n )
        (resid 40 and name ca) (resid 40 and name c )
        (resid 41 and name n )    			  57.39 29.68
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  
	(resid 42 and name n )   			  57.61 18.47 
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c ) 
	(resid 43 and name n )    			  57.77 38.89 
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )
        (resid 44 and name n )     			  57.45 30.68 
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c ) 
	(resid 45 and name n )    			  58.35 30.97 
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )
	(resid 46 and name n )     			  57.61 40.04 
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )
	(resid 47 and name n )     			  $noexpectation 39.48 
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )
	(resid 48 and name n )     			  44.43 0.00 
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )
	(resid 49 and name n )     			  63.63 31.98 
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c ) 
	(resid 50 and name n )    			  64.38 33.44 


OBSE (resid 2 and (name HA)) 4.25 
OBSE (resid 3 and (name HA)) 4.46 
OBSE (resid 4 and (name HA)) 4.49 
OBSE (resid 5 and (name HA)) 4.64 
OBSE (resid 6 and (name HA)) 4.20 
OBSE (resid 7 and (name HA#)) 3.79 
OBSE (resid 8 and (name HA)) 4.55 
OBSE (resid 9 and (name HA)) 4.55 
OBSE (resid 10 and (name HA)) 4.45 
OBSE (resid 11 and (name HA)) 4.32 
OBSE (resid 12 and (name HA)) 4.85 
OBSE (resid 13 and (name HA)) 4.27 
OBSE (resid 14 and (name HA)) 5.11 
OBSE (resid 15 and (name HA)) 4.38 
OBSE (resid 16 and (name HA)) 4.25 
OBSE (resid 18 and (name HA)) 4.40 
OBSE (resid 19 and (name HA)) 4.27 
OBSE (resid 20 and (name HA)) 3.94 
OBSE (resid 22 and (name HA)) 3.66 
OBSE (resid 23 and (name HA)) 4.58 
OBSE (resid 25 and (name HA)) 4.14 
OBSE (resid 26 and (name HA)) 5.15 
OBSE (resid 27 and (name HA)) 4.38 
OBSE (resid 28 and (name HA)) 4.74 
OBSE (resid 29 and (name HA)) 4.30 
OBSE (resid 30 and (name HA)) 4.02 
OBSE (resid 31 and (name HA)) 4.11 
OBSE (resid 32 and (name HA)) 4.34
OBSE (resid 33 and (name HA)) 3.87 
OBSE (resid 34 and (name HA)) 4.54 
OBSE (resid 35 and (name HA)) 4.76 
OBSE (resid 36 and (name HA)) 4.06 
OBSE (resid 37 and (name HA#)) 3.90 
OBSE (resid 38 and (name HA)) 4.41 
OBSE (resid 39 and (name HA)) 4.11 
OBSE (resid 40 and (name HA)) 4.12 
OBSE (resid 41 and (name HA)) 4.05 
OBSE (resid 42 and (name HA)) 4.10 
OBSE (resid 43 and (name HA)) 4.14 
OBSE (resid 44 and (name HA)) 3.78 
OBSE (resid 45 and (name HA)) 4.06 
OBSE (resid 46 and (name HA)) 4.54 
OBSE (resid 47 and (name HA#)) 3.95 
OBSE (resid 48 and (name HA)) 4.40 
OBSE (resid 49 and (name HA)) 3.85 

   !! 
assign (resid   3 and name    C)    (resid   4 and name    N)
       (resid   4 and name   CA)    (resid   4 and name    C)     1.0    -68.0     25.5   2

assign (resid   4 and name    N)    (resid   4 and name   CA)
       (resid   4 and name    C)    (resid   5 and name    N)     1.0    -33.0     24.5   2

assign (resid   9 and name    C)    (resid  10 and name    N)
       (resid  10 and name   CA)    (resid  10 and name    C)     1.0    -74.0     26.5   2

assign (resid  10 and name    N)    (resid  10 and name   CA)
       (resid  10 and name    C)    (resid  11 and name    N)     1.0    -23.0     35.5   2

assign (resid  18 and name    C)    (resid  19 and name    N)
       (resid  19 and name   CA)    (resid  19 and name    C)     1.0    -75.0     26.5   2

assign (resid  19 and name    N)    (resid  19 and name   CA)
       (resid  19 and name    C)    (resid  20 and name    N)     1.0    -28.0     32.5   2

assign (resid  19 and name    C)    (resid  20 and name    N)
       (resid  20 and name   CA)    (resid  20 and name    C)     1.0    -66.0     19.5   2

assign (resid  20 and name    N)    (resid  20 and name   CA)
       (resid  20 and name    C)    (resid  21 and name    N)     1.0    -40.0     22.5   2

assign (resid  20 and name    C)    (resid  21 and name    N)
       (resid  21 and name   CA)    (resid  21 and name    C)     1.0    -66.0     18.5   2

assign (resid  21 and name    N)    (resid  21 and name   CA)
       (resid  21 and name    C)    (resid  22 and name    N)     1.0    -40.0     16.5   2

assign (resid  21 and name    C)    (resid  22 and name    N)
       (resid  22 and name   CA)    (resid  22 and name    C)     1.0    -67.0     22.5   2

assign (resid  22 and name    N)    (resid  22 and name   CA)
       (resid  22 and name    C)    (resid  23 and name    N)     1.0    -38.0     18.5   2

assign (resid  22 and name    C)    (resid  23 and name    N)
       (resid  23 and name   CA)    (resid  23 and name    C)     1.0    -66.0     15.5   2

assign (resid  23 and name    N)    (resid  23 and name   CA)
       (resid  23 and name    C)    (resid  24 and name    N)     1.0    -39.0     20.5   2

assign (resid  24 and name    C)    (resid  25 and name    N)
       (resid  25 and name   CA)    (resid  25 and name    C)     1.0    -79.0     26.5   2

assign (resid  25 and name    N)    (resid  25 and name   CA)
       (resid  25 and name    C)    (resid  26 and name    N)     1.0    -34.0     24.5   2

assign (resid  25 and name    C)    (resid  26 and name    N)
       (resid  26 and name   CA)    (resid  26 and name    C)     1.0   -125.0     36.5   2

assign (resid  26 and name    N)    (resid  26 and name   CA)
       (resid  26 and name    C)    (resid  27 and name    N)     1.0    116.0     41.5   2

assign (resid  29 and name    C)    (resid  30 and name    N)
       (resid  30 and name   CA)    (resid  30 and name    C)     1.0    -66.0     17.5   2

assign (resid  30 and name    N)    (resid  30 and name   CA)
       (resid  30 and name    C)    (resid  31 and name    N)     1.0    -39.0     22.5   2

assign (resid  30 and name    C)    (resid  31 and name    N)
       (resid  31 and name   CA)    (resid  31 and name    C)     1.0    -67.0     23.5   2

assign (resid  31 and name    N)    (resid  31 and name   CA)
       (resid  31 and name    C)    (resid  32 and name    N)     1.0    -39.0     25.5   2

assign (resid  31 and name    C)    (resid  32 and name    N)
       (resid  32 and name   CA)    (resid  32 and name    C)     1.0    -63.0     21.5   2

assign (resid  32 and name    N)    (resid  32 and name   CA)
       (resid  32 and name    C)    (resid  33 and name    N)     1.0    -34.0     28.5   2

assign (resid  32 and name    C)    (resid  33 and name    N)
       (resid  33 and name   CA)    (resid  33 and name    C)     1.0    -64.0     20.5   2

assign (resid  33 and name    N)    (resid  33 and name   CA)
       (resid  33 and name    C)    (resid  34 and name    N)     1.0    -37.0     28.5   2

assign (resid  33 and name    C)    (resid  34 and name    N)
       (resid  34 and name   CA)    (resid  34 and name    C)     1.0    -69.0     24.5   2

assign (resid  34 and name    N)    (resid  34 and name   CA)
       (resid  34 and name    C)    (resid  35 and name    N)     1.0    -29.0     26.5   2

assign (resid  39 and name    C)    (resid  40 and name    N)
       (resid  40 and name   CA)    (resid  40 and name    C)     1.0    -71.0     21.5   2

assign (resid  40 and name    N)    (resid  40 and name   CA)
       (resid  40 and name    C)    (resid  41 and name    N)     1.0    -42.0     19.5   2

assign (resid  40 and name    C)    (resid  41 and name    N)
       (resid  41 and name   CA)    (resid  41 and name    C)     1.0    -66.0     21.5   2

assign (resid  41 and name    N)    (resid  41 and name   CA)
       (resid  41 and name    C)    (resid  42 and name    N)     1.0    -36.0     28.5   2

assign (resid  41 and name    C)    (resid  42 and name    N)
       (resid  42 and name   CA)    (resid  42 and name    C)     1.0    -77.0     34.5   2

assign (resid  42 and name    N)    (resid  42 and name   CA)
       (resid  42 and name    C)    (resid  43 and name    N)     1.0    -20.0     37.5   2

assign (resid   4 and name    N)    (resid   4 and name   CA)
       (resid   4 and name   CB)    (resid   4 and name   CG)     1.0      5.0    110.0   2

assign (resid   5 and name   CA)    (resid   5 and name   CB)
       (resid   5 and name   CG)    (resid   5 and name  CD1)     1.0      0.0    155.0   2

assign (resid  16 and name    N)    (resid  16 and name   CA)
       (resid  16 and name   CB)    (resid  16 and name   CG)     1.0   -115.0    170.0   2

assign (resid  17 and name    N)    (resid  17 and name   CA)
       (resid  17 and name   CB)    (resid  17 and name   CG)     1.0    160.0    105.0   2

assign (resid  17 and name    N)    (resid  17 and name   CA)
       (resid  17 and name   CB)    (resid  17 and name   CG)     1.0    -55.0    160.0   2

assign (resid  17 and name   CA)    (resid  17 and name   CB)
       (resid  17 and name   CG)    (resid  17 and name   CD)     1.0    170.0    145.0   2

assign (resid  19 and name   CA)    (resid  19 and name   CB)
       (resid  19 and name   CG)    (resid  19 and name   CD)     1.0   -180.0    165.0   2

assign (resid  20 and name    N)    (resid  20 and name   CA)
       (resid  20 and name   CB)    (resid  20 and name   CG)     1.0    -55.0    160.0   2

assign (resid  20 and name   CA)    (resid  20 and name   CB)
       (resid  20 and name   CG)    (resid  20 and name   CD)     1.0   -180.0    165.0   2

assign (resid  21 and name    N)    (resid  21 and name   CA)
       (resid  21 and name   CB)    (resid  21 and name   CG)     1.0    -55.0    170.0   2

assign (resid  21 and name   CA)    (resid  21 and name   CB)
       (resid  21 and name   CG)    (resid  21 and name   CD)     1.0   -180.0    165.0   2

assign (resid  22 and name    N)    (resid  22 and name   CA)
       (resid  22 and name   CB)    (resid  22 and name  CG1)     1.0   -180.0     55.0   2

assign (resid  24 and name    N)    (resid  24 and name   CA)
       (resid  24 and name   CB)    (resid  24 and name   CG)     1.0    -55.0    170.0   2

assign (resid  24 and name   CA)    (resid  24 and name   CB)
       (resid  24 and name   CG)    (resid  24 and name   CD)     1.0   -180.0    165.0   2

assign (resid  25 and name    N)    (resid  25 and name   CA)
       (resid  25 and name   CB)    (resid  25 and name   CG)     1.0   -115.0     80.0   2

assign (resid  25 and name   CA)    (resid  25 and name   CB)
       (resid  25 and name   CG)    (resid  25 and name  CD1)     1.0   -125.0    130.0   2

assign (resid  25 and name   CA)    (resid  25 and name   CB)
       (resid  25 and name   CG)    (resid  25 and name  CD1)     1.0     -5.0    130.0   2

assign (resid  26 and name    N)    (resid  26 and name   CA)
       (resid  26 and name   CB)    (resid  26 and name   CG)     1.0    -30.0     85.0   2

assign (resid  26 and name    N)    (resid  26 and name   CA)
       (resid  26 and name   CB)    (resid  26 and name   CG)     1.0    140.0    155.0   2

assign (resid  26 and name   CA)    (resid  26 and name   CB)
       (resid  26 and name   CG)    (resid  26 and name  OD1)     1.0    170.0    145.0   2

assign (resid  26 and name   CA)    (resid  26 and name   CB)
       (resid  26 and name   CG)    (resid  26 and name  OD1)     1.0    -15.0    140.0   2

assign (resid  30 and name    N)    (resid  30 and name   CA)
       (resid  30 and name   CB)    (resid  30 and name   CG)     1.0    -55.0    150.0   2

assign (resid  30 and name    N)    (resid  30 and name   CA)
       (resid  30 and name   CB)    (resid  30 and name   CG)     1.0      5.0    160.0   2

assign (resid  35 and name    N)    (resid  35 and name   CA)
       (resid  35 and name   CB)    (resid  35 and name   CG)     1.0      0.0    135.0   2

assign (resid  35 and name   CA)    (resid  35 and name   CB)
       (resid  35 and name   CG)    (resid  35 and name  ND1)     1.0    180.0    135.0   2

assign (resid  36 and name   CA)    (resid  36 and name   CB)
       (resid  36 and name   CG)    (resid  36 and name  CD1)     1.0    125.0    110.0   2

assign (resid  38 and name    N)    (resid  38 and name   CA)
       (resid  38 and name   CB)    (resid  38 and name   CG)     1.0    -65.0     30.0   2

assign (resid  38 and name   CA)    (resid  38 and name   CB)
       (resid  38 and name   CG)    (resid  38 and name  CD1)     1.0      0.0     25.0   2

assign (resid  39 and name    N)    (resid  39 and name   CA)
       (resid  39 and name   CB)    (resid  39 and name   CG)     1.0    -55.0    170.0   2

assign (resid  39 and name   CA)    (resid  39 and name   CB)
       (resid  39 and name   CG)    (resid  39 and name   CD)     1.0   -180.0    165.0   2

assign (resid  40 and name    N)    (resid  40 and name   CA)
       (resid  40 and name   CB)    (resid  40 and name   CG)     1.0    -55.0    170.0   2

assign (resid  40 and name   CA)    (resid  40 and name   CB)
       (resid  40 and name   CG)    (resid  40 and name   CD)     1.0   -180.0    165.0   2

assign (resid  42 and name    N)    (resid  42 and name   CA)
       (resid  42 and name   CB)    (resid  42 and name   CG)     1.0   -140.0     75.0   2

assign (resid  42 and name   CA)    (resid  42 and name   CB)
       (resid  42 and name   CG)    (resid  42 and name  CD1)     1.0    -10.0     95.0   2

assign (resid  43 and name    N)    (resid  43 and name   CA)
       (resid  43 and name   CB)    (resid  43 and name   CG)     1.0    155.0    140.0   2

assign (resid  43 and name    N)    (resid  43 and name   CA)
       (resid  43 and name   CB)    (resid  43 and name   CG)     1.0    -80.0    115.0   2

assign (resid  43 and name    N)    (resid  43 and name   CA)
       (resid  43 and name   CB)    (resid  43 and name   CG)     1.0     20.0    155.0   2

assign (resid  43 and name   CA)    (resid  43 and name   CB)
       (resid  43 and name   CG)    (resid  43 and name   CD)     1.0    175.0    150.0   2

assign (resid  44 and name    N)    (resid  44 and name   CA)
       (resid  44 and name   CB)    (resid  44 and name   CG)     1.0    -55.0    160.0   2

assign (resid  44 and name   CA)    (resid  44 and name   CB)
       (resid  44 and name   CG)    (resid  44 and name   CD)     1.0   -180.0    165.0   2

assign (resid  45 and name    N)    (resid  45 and name   CA)
       (resid  45 and name   CB)    (resid  45 and name   CG)     1.0   -175.0    160.0   2

assign (resid  46 and name    N)    (resid  46 and name   CA)
       (resid  46 and name   CB)    (resid  46 and name   CG)     1.0    -60.0     55.0   2

assign (resid  46 and name   CA)    (resid  46 and name   CB)
       (resid  46 and name   CG)    (resid  46 and name  CD1)     1.0     35.0    110.0   2

assign (resid  49 and name    N)    (resid  49 and name   CA)
       (resid  49 and name   CB)    (resid  49 and name  CG1)     1.0   -180.0    175.0   2


 
assign (resid   1 and name  HD1)   (resid   2 and name   HG)   3.400    1.600    1.600  
assign (resid   1 and name  HE#)   (resid   2 and name   HG)   3.400    1.600    1.600  
assign (resid   2 and name   HA)   (resid   2 and name HD1#)   3.400    1.600    1.600  
assign (resid   2 and name   HA)   (resid   2 and name HD2#)   3.400    1.600    1.600  
assign (resid   2 and name   HA)   (resid   2 and name  HD#)   2.890    1.090    1.090  
assign (resid   2 and name   HG)   (resid   5 and name  HD1)   3.400    1.600    1.600  
assign (resid   3 and name  HB#)   (resid   4 and name  HB#)   3.475    1.675    1.675  
assign (resid   4 and name   HA)   (resid   5 and name  HD1)   3.400    1.600    1.600  
assign (resid   4 and name  HB2)   (resid   6 and name HD1#)   4.275    2.475    2.475  
assign (resid   4 and name  HB2)   (resid   6 and name HD2#)   4.275    2.475    2.475  
assign (resid   4 and name  HB1)   (resid   6 and name HD1#)   4.275    2.475    2.475  
assign (resid   4 and name  HB1)   (resid   6 and name HD2#)   4.275    2.475    2.475  
assign (resid   4 and name  HB#)   (resid   5 and name  HD1)   3.040    1.240    1.240  
assign (resid   4 and name  HB#)   (resid   5 and name  HZ3)   3.840    2.040    2.040  
assign (resid   4 and name  HB#)   (resid   6 and name  HD#)   3.730    1.930    1.930  
assign (resid   4 and name  HE1)   (resid   4 and name   HN)   3.400    1.600    1.600  
assign (resid   5 and name   HA)   (resid   5 and name  HD1)   3.400    1.600    1.600  
assign (resid   5 and name  HD1)   (resid   6 and name  HD#)   4.185    2.385    2.385  
assign (resid   5 and name  HZ3)   (resid   6 and name HD1#)   3.400    1.600    1.600  
assign (resid   5 and name  HZ3)   (resid   6 and name HD2#)   3.400    1.600    1.600  
assign (resid   5 and name  HH2)   (resid   6 and name  HD#)   4.185    2.385    2.385  
assign (resid   6 and name   HN)   (resid   7 and name  HA#)   3.840    2.040    2.040  
assign (resid   6 and name   HG)   (resid   8 and name   HA)   3.400    1.600    1.600  
assign (resid   6 and name  HD#)   (resid   7 and name  HA#)   4.625    2.825    2.825  
assign (resid   6 and name  HD#)   (resid   8 and name   HA)   4.185    2.385    2.385  
assign (resid   7 and name  HA#)   (resid   8 and name  HB#)   3.740    1.940    1.940  
assign (resid   7 and name  HA#)   (resid   9 and name  HB#)   4.340    2.540    2.540  
assign (resid   8 and name   HN)   (resid   8 and name   HA)   2.300    0.500    0.500  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.600    0.800    0.800  
assign (resid   9 and name  HB#)   (resid  11 and name  HD#)   4.275    2.475    2.475  
assign (resid  10 and name   HA)   (resid  11 and name  HD#)   2.720    0.920    0.920  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.600    0.800    0.800  
assign (resid  11 and name   HA)   (resid  12 and name  HB#)   3.840    2.040    2.040  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.920    1.120    1.120  
assign (resid  11 and name  HG#)   (resid  12 and name   HA)   3.840    2.040    2.040  
assign (resid  11 and name  HG#)   (resid  13 and name  HD#)   3.175    1.375    1.375  
assign (resid  11 and name  HD#)   (resid  12 and name  HD1)   3.840    2.040    2.040  
assign (resid  11 and name  HD#)   (resid  12 and name  HE#)   3.840    2.040    2.040  
assign (resid  12 and name   HN)   (resid  12 and name  HD1)   3.400    1.600    1.600  
assign (resid  12 and name   HN)   (resid  12 and name  HE#)   3.400    1.600    1.600  
assign (resid  12 and name   HN)   (resid  13 and name   HA)   3.400    1.600    1.600  
assign (resid  12 and name   HN)   (resid  13 and name  HG#)   3.040    1.240    1.240  
assign (resid  12 and name   HN)   (resid  13 and name  HD#)   3.840    2.040    2.040  
assign (resid  12 and name   HA)   (resid  12 and name  HD1)   2.600    0.800    0.800  
assign (resid  12 and name   HA)   (resid  14 and name  HB#)   3.840    2.040    2.040  
assign (resid  12 and name  HB2)   (resid  12 and name  HD1)   2.600    0.800    0.800  
assign (resid  12 and name  HB1)   (resid  12 and name  HD1)   2.600    0.800    0.800  
assign (resid  12 and name  HB#)   (resid  13 and name  HD#)   4.275    2.475    2.475  
assign (resid  12 and name  HD1)   (resid  13 and name   HA)   3.400    1.600    1.600  
assign (resid  12 and name  HD1)   (resid  13 and name  HG#)   3.840    2.040    2.040  
assign (resid  12 and name  HD1)   (resid  13 and name  HD#)   3.840    2.040    2.040  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.040    1.240    1.240  
assign (resid  13 and name  HD#)   (resid  16 and name   HN)   3.840    2.040    2.040  
assign (resid  14 and name  HB#)   (resid  16 and name  HD#)   4.625    2.825    2.825  
assign (resid  15 and name   HA)   (resid  17 and name  HG2)   3.840    2.040    2.040  
assign (resid  15 and name  HG#)   (resid  16 and name  HD#)   3.825    2.025    2.025  
assign (resid  16 and name   HN)   (resid  16 and name   HG)   3.400    1.600    1.600  
assign (resid  16 and name   HN)   (resid  16 and name HD1#)   3.400    1.600    1.600  
assign (resid  16 and name   HN)   (resid  16 and name HD2#)   3.400    1.600    1.600  
assign (resid  16 and name   HA)   (resid  16 and name HD1#)   3.400    1.600    1.600  
assign (resid  16 and name   HA)   (resid  16 and name HD2#)   3.400    1.600    1.600  
assign (resid  16 and name   HA)   (resid  16 and name  HD#)   2.770    0.970    0.970  
assign (resid  16 and name   HG)   (resid  17 and name   HN)   3.400    1.600    1.600  
assign (resid  16 and name HD1#)   (resid  17 and name   HN)   3.400    1.600    1.600  
assign (resid  16 and name HD2#)   (resid  17 and name   HN)   3.400    1.600    1.600  
assign (resid  16 and name  HD#)   (resid  17 and name  HB#)   4.625    2.825    2.825  
assign (resid  16 and name  HD#)   (resid  17 and name  HG2)   4.625    2.825    2.825  
assign (resid  16 and name  HD#)   (resid  20 and name  HD#)   4.625    2.825    2.825  
assign (resid  16 and name  HD#)   (resid  45 and name  HD#)   4.800    3.000    3.000  
assign (resid  16 and name  HD#)   (resid  45 and name  HE#)   4.800    3.000    3.000  
assign (resid  16 and name HD1#)   (resid  18 and name  HB#)   4.400    2.600    2.600  
assign (resid  17 and name   HN)   (resid  17 and name  HB#)   2.760    0.960    0.960  
assign (resid  17 and name   HN)   (resid  18 and name  HB#)   3.840    2.040    2.040  
assign (resid  17 and name   HN)   (resid  18 and name  HD#)   3.840    2.040    2.040  
assign (resid  17 and name   HA)   (resid  18 and name  HG#)   3.040    1.240    1.240  
assign (resid  17 and name  HB#)   (resid  18 and name  HD#)   4.275    2.475    2.475  
assign (resid  17 and name  HB#)   (resid  19 and name  HE#)   4.275    2.475    2.475  
assign (resid  17 and name  HG2)   (resid  18 and name  HB#)   4.275    2.475    2.475  
assign (resid  18 and name  HD#)   (resid  19 and name   HN)   3.575    1.775    1.775  
assign (resid  18 and name  HD#)   (resid  19 and name  HE#)   4.275    2.475    2.475  
assign (resid  19 and name   HA)   (resid  20 and name  HB#)   3.840    2.040    2.040  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   3.400    1.600    1.600  
assign (resid  19 and name   HA)   (resid  21 and name  HG2)   3.040    1.240    1.240  
assign (resid  19 and name  HD#)   (resid  20 and name   HA)   3.840    2.040    2.040  
assign (resid  19 and name  HD#)   (resid  20 and name  HD#)   4.275    2.475    2.475  
assign (resid  19 and name  HD#)   (resid  20 and name   HE)   3.840    2.040    2.040  
assign (resid  20 and name   HN)   (resid  20 and name  HG2)   3.400    1.600    1.600  
assign (resid  20 and name   HN)   (resid  20 and name  HG1)   3.400    1.600    1.600  
assign (resid  20 and name   HN)   (resid  20 and name HH2#)   3.800    2.000    2.000  
assign (resid  20 and name  HB#)   (resid  20 and name HH1#)   4.270    2.470    2.470  
assign (resid  20 and name  HB#)   (resid  20 and name HH2#)   4.270    2.470    2.470  
assign (resid  20 and name  HB#)   (resid  22 and name   HA)   3.840    2.040    2.040  
assign (resid  20 and name  HB#)   (resid  42 and name  HD#)   5.040    3.240    3.240  
assign (resid  20 and name  HB#)   (resid  42 and name  HE#)   4.840    3.040    3.040  
assign (resid  20 and name  HG2)   (resid  42 and name  HE#)   3.600    1.800    1.800  
assign (resid  20 and name  HG1)   (resid  42 and name  HE#)   3.600    1.800    1.800  
assign (resid  20 and name  HG#)   (resid  22 and name  HG#)   4.620    2.820    2.820  
assign (resid  20 and name  HG#)   (resid  26 and name   HN)   3.900    2.100    2.100  
assign (resid  20 and name  HG#)   (resid  26 and name HD2#)   3.840    2.040    2.040  
assign (resid  20 and name  HG#)   (resid  42 and name  HD#)   4.840    3.040    3.040  
assign (resid  20 and name  HD#)   (resid  21 and name  HB#)   4.275    2.475    2.475  
assign (resid  20 and name  HD#)   (resid  22 and name  HG#)   4.620    2.820    2.820  
assign (resid  20 and name HH2#)   (resid  23 and name  HB#)   3.470    1.670    1.670  
assign (resid  20 and name  HG#)   (resid  23 and name   HN)   3.100    1.300    1.300  
assign (resid  20 and name  HG#)   (resid  23 and name   HN)   3.900    2.100    2.100  
assign (resid  20 and name   HN)   (resid  23 and name   HN)   3.400    1.600    1.600
assign (resid  21 and name   HN)   (resid  21 and name  HG2)   3.840    2.040    2.040  
assign (resid  21 and name   HA)   (resid  22 and name HG1#)   3.900    2.100    2.100  
assign (resid  21 and name   HA)   (resid  22 and name HG2#)   3.900    2.100    2.100  
assign (resid  21 and name   HA)   (resid  22 and name  HG#)   3.550    1.750    1.750  
assign (resid  21 and name   HA)   (resid  23 and name   HN)   3.400    1.600    1.600  
assign (resid  21 and name  HB#)   (resid  22 and name   HA)   3.400    1.600    1.600  
assign (resid  21 and name  HG2)   (resid  22 and name   HN)   3.840    2.040    2.040  
assign (resid  21 and name  HG2)   (resid  22 and name  HG#)   4.620    2.820    2.820  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   3.400    1.600    1.600  
assign (resid  22 and name   HA)   (resid  22 and name HG1#)   2.600    0.800    0.800  
assign (resid  22 and name   HA)   (resid  22 and name HG2#)   2.600    0.800    0.800  
assign (resid  22 and name   HA)   (resid  25 and name  HB#)   3.040    1.240    1.240  
assign (resid  22 and name   HA)   (resid  25 and name HD1#)   3.900    2.100    2.100  
assign (resid  22 and name   HA)   (resid  25 and name HD2#)   3.900    2.100    2.100  
assign (resid  22 and name   HA)   (resid  25 and name   HG)   3.400    1.600    1.600  
assign (resid  22 and name   HA)   (resid  26 and name   HN)   3.400    1.600    1.600  
assign (resid  22 and name   HA)   (resid  42 and name  HE#)   4.400    2.600    2.600  
assign (resid  22 and name   HA)   (resid  46 and name  HE#)   4.400    2.600    2.600  
assign (resid  22 and name   HB)   (resid  23 and name   HN)   2.300    0.500    0.500  
assign (resid  22 and name   HB)   (resid  23 and name   HA)   3.400    1.600    1.600  
assign (resid  22 and name   HB)   (resid  26 and name   HN)   3.400    1.600    1.600  
assign (resid  22 and name   HB)   (resid  26 and name  HB#)   3.840    2.040    2.040  
assign (resid  22 and name   HB)   (resid  26 and name HD2#)   3.400    1.600    1.600  
assign (resid  22 and name   HB)   (resid  42 and name  HD#)   4.400    2.600    2.600  
assign (resid  22 and name   HB)   (resid  42 and name  HE#)   3.600    1.800    1.800  
assign (resid  22 and name HG1#)   (resid  23 and name   HN)   3.400    1.600    1.600  
assign (resid  22 and name HG1#)   (resid  26 and name   HN)   3.900    2.100    2.100  
assign (resid  22 and name HG1#)   (resid  42 and name  HD#)   4.900    3.100    3.100  
assign (resid  22 and name HG1#)   (resid  42 and name  HE#)   4.100    2.300    2.300  
assign (resid  22 and name HG1#)   (resid  46 and name  HD#)   4.400    2.600    2.600  
assign (resid  22 and name HG2#)   (resid  23 and name   HN)   3.400    1.600    1.600  
assign (resid  22 and name HG2#)   (resid  26 and name   HN)   3.900    2.100    2.100  
assign (resid  22 and name HG2#)   (resid  42 and name  HD#)   4.900    3.100    3.100  
assign (resid  22 and name HG2#)   (resid  42 and name  HE#)   4.100    2.300    2.300  
assign (resid  22 and name HG2#)   (resid  46 and name  HD#)   4.400    2.600    2.600  
assign (resid  22 and name  HG#)   (resid  23 and name  HB#)   4.620    2.820    2.820  
assign (resid  22 and name  HG#)   (resid  26 and name HD2#)   4.180    2.380    2.380  
assign (resid  22 and name  HG#)   (resid  42 and name  HD#)   4.575    2.775    2.775  
assign (resid  22 and name  HG#)   (resid  42 and name  HE#)   3.850    2.050    2.050  
assign (resid  22 and name  HG#)   (resid  46 and name  HE#)   4.380    2.580    2.580  
assign (resid  22 and name  HG#)   (resid  46 and name  HE#)   4.180    2.380    2.380  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.630    0.830    0.830  
assign (resid  23 and name   HN)   (resid  24 and name   HN)   3.400    1.600    1.600  
assign (resid  23 and name   CB)   (resid  29 and name   SG)   2.450    0.650    0.650  
assign (resid  23 and name  HB2)   (resid  42 and name  HD#)   3.600    1.800    1.800  
assign (resid  23 and name  HB2)   (resid  45 and name  HE#)   3.600    1.800    1.800  
assign (resid  23 and name  HB1)   (resid  42 and name  HD#)   3.600    1.800    1.800  
assign (resid  23 and name  HB1)   (resid  45 and name  HE#)   3.600    1.800    1.800  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   3.040    1.240    1.240  
assign (resid  23 and name  HB#)   (resid  42 and name  HD#)   3.415    1.615    1.615  
assign (resid  23 and name  HB#)   (resid  42 and name  HE#)   4.840    3.040    3.040  
assign (resid  23 and name  HB#)   (resid  45 and name  HD#)   3.940    2.140    2.140  
assign (resid  23 and name  HB#)   (resid  45 and name  HE#)   3.415    1.615    1.615  
assign (resid  23 and name  HB#)   (resid  46 and name  HE#)   4.840    3.040    3.040  
assign (resid  23 and name  HB#)   (resid  46 and name  HE#)   3.840    2.040    2.040  
assign (resid  23 and name   SG)   (resid  29 and name   CB)   2.450    0.650    0.650  
assign (resid  23 and name   SG)   (resid  29 and name   SG)   1.950    0.150    0.150  
assign (resid  24 and name   HN)   (resid  27 and name   HA)   3.400    1.600    1.600  
assign (resid  24 and name   HN)   (resid  25 and name   HN)   3.400    1.600    1.600  
assign (resid  24 and name   HA)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid  24 and name   HA)   (resid  30 and name  HB2)   3.400    1.600    1.600  
assign (resid  24 and name   HA)   (resid  30 and name  HB1)   3.400    1.600    1.600  
assign (resid  24 and name  HB2)   (resid  25 and name   HN)   3.400    1.600    1.600  
assign (resid  24 and name  HB1)   (resid  25 and name   HN)   3.400    1.600    1.600  
assign (resid  24 and name  HB#)   (resid  25 and name  HD#)   4.625    2.825    2.825  
assign (resid  24 and name  HB#)   (resid  26 and name   HN)   3.840    2.040    2.040  
assign (resid  25 and name   HN)   (resid  25 and name  HB#)   2.625    0.825    0.825  
assign (resid  25 and name   HN)   (resid  25 and name   HG)   3.400    1.600    1.600  
assign (resid  25 and name   HN)   (resid  25 and name  HD#)   4.185    2.385    2.385  
assign (resid  25 and name   HA)   (resid  25 and name HD1#)   2.800    1.000    1.000  
assign (resid  25 and name   HA)   (resid  25 and name HD2#)   2.800    1.000    1.000  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.600    0.800    0.800  
assign (resid  25 and name  HB#)   (resid  25 and name  HD#)   2.305    0.505    0.505  
assign (resid  25 and name  HB#)   (resid  26 and name   HN)   3.040    1.240    1.240  
assign (resid  25 and name  HB#)   (resid  26 and name   HA)   3.840    2.040    2.040  
assign (resid  25 and name HD1#)   (resid  27 and name  HG2)   4.275    2.475    2.475  
assign (resid  25 and name HD1#)   (resid  27 and name  HG1)   4.275    2.475    2.475  
assign (resid  25 and name HD2#)   (resid  27 and name  HG2)   4.275    2.475    2.475  
assign (resid  25 and name HD2#)   (resid  27 and name  HG1)   4.275    2.475    2.475  
assign (resid  25 and name  HD#)   (resid  26 and name   HN)   4.185    2.385    2.385  
assign (resid  25 and name  HD#)   (resid  26 and name  HB#)   4.625    2.825    2.825  
assign (resid  25 and name  HD#)   (resid  27 and name  HG#)   3.730    1.930    1.930  
assign (resid  26 and name   HN)   (resid  26 and name  HB2)   2.600    0.800    0.800  
assign (resid  26 and name   HN)   (resid  26 and name  HB1)   2.600    0.800    0.800  
assign (resid  26 and name   HN)   (resid  26 and name HD2#)   2.800    1.000    1.000  
assign (resid  26 and name   HN)   (resid  27 and name   HA)   3.400    1.600    1.600  
assign (resid  26 and name   HN)   (resid  27 and name  HD#)   3.840    2.040    2.040  
assign (resid  26 and name   HA)   (resid  27 and name  HB#)   3.795    1.995    1.995  
assign (resid  26 and name   HA)   (resid  27 and name  HD2)   2.600    0.800    0.800  
assign (resid  26 and name   HA)   (resid  27 and name  HD1)   2.600    0.800    0.800  
assign (resid  26 and name   HA)   (resid  27 and name  HD#)   2.395    0.595    0.595  
assign (resid  26 and name  HB#)   (resid  46 and name  HE#)   4.900    3.100    3.100  
assign (resid  26 and name  HB#)   (resid  27 and name  HG#)   4.275    2.475    2.475  
assign (resid  26 and name  HB#)   (resid  27 and name  HD#)   4.275    2.475    2.475  
assign (resid  26 and name  HB#)   (resid  42 and name  HE#)   4.900    3.100    3.100  
assign (resid  26 and name HD2#)   (resid  27 and name  HD#)   3.840    2.040    2.040  
assign (resid  26 and name   HN)   (resid  30 and name   HN)   3.650    1.850    1.850
assign (resid  27 and name  HD#)   (resid  24 and name   HA)   3.100    1.300    1.300  
assign (resid  27 and name   HA)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid  27 and name  HB#)   (resid  28 and name  HB#)   4.275    2.475    2.475  
assign (resid  27 and name  HB2)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid  29 and name   HN)   (resid  30 and name   HN)   2.600    0.800    0.800  
assign (resid  29 and name   HA)   (resid  46 and name  HE#)   4.400    2.600    2.600  
assign (resid  29 and name  HB#)   (resid  30 and name   HN)   3.400    1.600    1.600  
assign (resid  30 and name  HB1)   (resid  27 and name  HD#)   3.900    2.100    2.100  
assign (resid  30 and name   HN)   (resid  30 and name  HB2)   2.600    0.800    0.800  
assign (resid  30 and name   HN)   (resid  30 and name  HB1)   2.600    0.800    0.800  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   3.400    1.600    1.600  
assign (resid  30 and name   HN)   (resid  31 and name  HB#)   3.840    2.040    2.040  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.600    0.800    0.800  
assign (resid  30 and name  HB2)   (resid  31 and name   HN)   2.600    0.800    0.800  
assign (resid  30 and name  HB1)   (resid  31 and name   HN)   2.600    0.800    0.800  
assign (resid  30 and name   HA)   (resid  33 and name   HN)   3.400    1.600    1.600  
assign (resid  31 and name   HN)   (resid  31 and name   HA)   2.300    0.500    0.500  
assign (resid  31 and name   HN)   (resid  31 and name  HB2)   2.300    0.500    0.500  
assign (resid  31 and name   HN)   (resid  31 and name  HB1)   2.300    0.500    0.500  
assign (resid  31 and name   HN)   (resid  32 and name   HN)   2.600    0.800    0.800  
assign (resid  31 and name   HN)   (resid  32 and name  HD#)   4.185    2.385    2.385  
assign (resid  31 and name   HA)   (resid  31 and name  HB2)   2.300    0.500    0.500  
assign (resid  31 and name   HA)   (resid  31 and name  HB1)   2.300    0.500    0.500  
assign (resid  32 and name   HN)   (resid  32 and name  HB#)   2.755    0.955    0.955  
assign (resid  32 and name   HN)   (resid  32 and name   HG)   3.400    1.600    1.600  
assign (resid  32 and name   HN)   (resid  32 and name  HD#)   4.185    2.385    2.385  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   3.400    1.600    1.600  
assign (resid  32 and name  HB2)   (resid  33 and name   HN)   3.400    1.600    1.600  
assign (resid  32 and name  HB1)   (resid  33 and name   HN)   3.400    1.600    1.600  
assign (resid  32 and name  HB#)   (resid  36 and name HD1#)   3.300    1.500    1.500  
assign (resid  32 and name  HB#)   (resid  38 and name  HE#)   4.040    2.240    2.240  
assign (resid  32 and name  HB#)   (resid  38 and name  HD1)   3.840    2.040    2.040  
assign (resid  32 and name   HG)   (resid  36 and name   HA)   3.400    1.600    1.600  
assign (resid  32 and name   HG)   (resid  36 and name HD1#)   2.800    1.000    1.000  
assign (resid  32 and name   HG)   (resid  38 and name  HE#)   3.600    1.800    1.800  
assign (resid  32 and name  HD#)   (resid  33 and name   HN)   4.185    2.385    2.385  
assign (resid  32 and name  HD#)   (resid  33 and name   HA)   4.185    2.385    2.385  
assign (resid  32 and name   HG)   (resid  36 and name   HA)   3.400    1.600    1.600  
assign (resid  32 and name  HD#)   (resid  38 and name  HE#)   4.085    2.285    2.285  
assign (resid  32 and name  HD#)   (resid  38 and name  HD1)   4.185    2.385    2.385  
assign (resid  33 and name   HN)   (resid  34 and name   HN)   3.400    1.600    1.600  
assign (resid  33 and name  HB#)   (resid  35 and name   HN)   3.900    2.100    2.100  
assign (resid  34 and name   HN)   (resid  35 and name   HN)   3.400    1.600    1.600  
assign (resid  34 and name   HA)   (resid  35 and name  HD2)   3.400    1.600    1.600  
assign (resid  34 and name  HB#)   (resid  36 and name HG1#)   3.600    1.800    1.800  
assign (resid  34 and name  HB#)   (resid  36 and name HD1#)   3.840    2.040    2.040  
assign (resid  35 and name   HN)   (resid  35 and name  HB#)   2.760    0.960    0.960  
assign (resid  35 and name   HN)   (resid  35 and name  HD2)   2.600    0.800    0.800  
assign (resid  35 and name   HA)   (resid  35 and name  HD2)   3.400    1.600    1.600  
assign (resid  35 and name  HB#)   (resid  35 and name  HD2)   2.705    0.905    0.905  
assign (resid  35 and name  HB#)   (resid  35 and name  HE1)   3.460    1.660    1.660  
assign (resid  35 and name  HD2)   (resid  32 and name  HB1)   3.400    1.600    1.600  
assign (resid  35 and name  HB#)   (resid  36 and name HG2#)   3.840    2.040    2.040  
assign (resid  35 and name  HB#)   (resid  36 and name HG1#)   3.600    1.800    1.800  
assign (resid  35 and name  HD2)   (resid  36 and name HG2#)   3.900    2.100    2.100  
assign (resid  35 and name  HD2)   (resid  36 and name HG1#)   3.040    1.240    1.240  
assign (resid  35 and name  HE1)   (resid  36 and name HG2#)   3.900    2.100    2.100  
assign (resid  35 and name  HE1)   (resid  36 and name HD1#)   3.400    1.600    1.600  
assign (resid  36 and name   HN)   (resid  36 and name HG1#)   3.840    2.040    2.040  
assign (resid  36 and name   HN)   (resid  36 and name HD1#)   3.400    1.600    1.600  
assign (resid  36 and name   HN)   (resid  37 and name  HA#)   3.840    2.040    2.040  
assign (resid  36 and name   HA)   (resid  36 and name HG1#)   2.650    0.850    0.850  
assign (resid  36 and name   HB)   (resid  36 and name HD1#)   2.600    0.800    0.800  
assign (resid  36 and name   HB)   (resid  37 and name  HA#)   3.400    1.600    1.600  
assign (resid  36 and name HG2#)   (resid  36 and name HD1#)   3.300    1.500    1.500  
assign (resid  36 and name HG2#)   (resid  38 and name  HE#)   4.400    2.600    2.600  
assign (resid  36 and name HG2#)   (resid  40 and name  HG#)   3.840    2.040    2.040  
assign (resid  36 and name HG12)   (resid  38 and name  HB2)   4.275    2.475    2.475  
assign (resid  36 and name HG12)   (resid  38 and name  HB1)   4.275    2.475    2.475  
assign (resid  36 and name HG12)   (resid  40 and name  HG2)   4.275    2.475    2.475  
assign (resid  36 and name HG12)   (resid  40 and name  HG1)   4.275    2.475    2.475  
assign (resid  36 and name HG11)   (resid  38 and name  HB2)   4.275    2.475    2.475  
assign (resid  36 and name HG11)   (resid  38 and name  HB1)   4.275    2.475    2.475  
assign (resid  36 and name HG11)   (resid  40 and name  HG2)   4.275    2.475    2.475  
assign (resid  36 and name HG11)   (resid  40 and name  HG1)   4.275    2.475    2.475  
assign (resid  36 and name HG1#)   (resid  38 and name  HB#)   3.805    2.005    2.005  
assign (resid  36 and name HG1#)   (resid  39 and name   HN)   3.840    2.040    2.040  
assign (resid  36 and name HG1#)   (resid  40 and name  HG#)   3.805    2.005    2.005  
assign (resid  36 and name HG1#)   (resid  41 and name  HB#)   3.300    1.500    1.500  
assign (resid  38 and name  HE1)   (resid  36 and name   HA)   2.600    0.800    0.800  
assign (resid  38 and name  HE1)   (resid  36 and name HD1#)   3.900    2.100    2.100  
assign (resid  36 and name HD1#)   (resid  37 and name  HA#)   3.840    2.040    2.040  
assign (resid  36 and name HD1#)   (resid  40 and name   HN)   3.900    2.100    2.100  
assign (resid  36 and name HD1#)   (resid  40 and name  HG#)   3.840    2.040    2.040  
assign (resid  37 and name   HN)   (resid  36 and name   HN)   3.400    1.600    1.600  
assign (resid  29 and name   HA)   (resid  41 and name  HB#)   3.100    1.300    1.300  
assign (resid  29 and name  HB#)   (resid  41 and name  HB#)   3.300    1.500    1.500  
assign (resid  37 and name  HA#)   (resid  38 and name  HE#)   3.740    1.940    1.940  
assign (resid  38 and name   HN)   (resid  38 and name   HA)   2.300    0.500    0.500  
assign (resid  38 and name   HN)   (resid  38 and name  HB2)   2.800    1.000    1.000  
assign (resid  38 and name   HN)   (resid  38 and name  HB1)   2.800    1.000    1.000  
assign (resid  38 and name   HN)   (resid  38 and name  HB#)   2.510    0.710    0.710  
assign (resid  38 and name   HN)   (resid  38 and name  HD1)   2.300    0.500    0.500  
assign (resid  38 and name   HN)   (resid  39 and name   HN)   2.600    0.800    0.800  
assign (resid  38 and name   HA)   (resid  38 and name  HD1)   2.600    0.800    0.800  
assign (resid  38 and name   HA)   (resid  39 and name   HN)   2.600    0.800    0.800  
assign (resid  38 and name  HB2)   (resid  38 and name  HD2)   2.300    0.500    0.500  
assign (resid  38 and name  HB1)   (resid  38 and name  HD2)   2.300    0.500    0.500  
assign (resid  38 and name  HD#)   (resid  40 and name  HG2)   4.900    3.100    3.100  
assign (resid  38 and name  HE#)   (resid  41 and name  HB#)   4.900    3.100    3.100  
assign (resid  38 and name  HE#)   (resid  32 and name   HG)   4.400    2.600    2.600  
assign (resid  38 and name  HE#)   (resid  36 and name HG1#)   4.900    3.100    3.100  
assign (resid  39 and name   HN)   (resid  39 and name HE2#)   3.835    2.035    2.035  
assign (resid  39 and name   HN)   (resid  40 and name   HN)   3.400    1.600    1.600  
assign (resid  39 and name   HN)   (resid  41 and name  HB#)   3.400    1.600    1.600  
assign (resid  39 and name   HA)   (resid  39 and name  HG#)   2.785    0.985    0.985  
assign (resid  39 and name  HG#)   (resid  40 and name   HN)   3.840    2.040    2.040  
assign (resid  39 and name  HG#)   (resid  40 and name   HA)   3.840    2.040    2.040  
assign (resid  39 and name  HG#)   (resid  41 and name  HB#)   4.400    2.600    2.600  
assign (resid  40 and name   HN)   (resid  40 and name  HB#)   2.630    0.830    0.830  
assign (resid  40 and name   HN)   (resid  40 and name  HG#)   3.040    1.240    1.240  
assign (resid  40 and name   HN)   (resid  41 and name   HN)   3.400    1.600    1.600  
assign (resid  40 and name   HN)   (resid  41 and name  HB#)   3.400    1.600    1.600  
assign (resid  40 and name   HA)   (resid  40 and name  HG#)   2.655    0.855    0.855  
assign (resid  40 and name  HB#)   (resid  42 and name  HD#)   4.840    3.040    3.040  
assign (resid  40 and name  HG#)   (resid  41 and name   HN)   3.840    2.040    2.040  
assign (resid  40 and name  HG#)   (resid  41 and name  HB#)   3.840    2.040    2.040  
assign (resid  40 and name  HG#)   (resid  42 and name  HB#)   4.275    2.475    2.475  
assign (resid  41 and name   HN)   (resid  41 and name  HB#)   2.600    0.800    0.800  
assign (resid  41 and name   HN)   (resid  42 and name   HN)   3.400    1.600    1.600  
assign (resid  41 and name   HA)   (resid  43 and name  HG#)   3.040    1.240    1.240  
assign (resid  41 and name  HB#)   (resid  42 and name  HD#)   4.900    3.100    3.100  
assign (resid  41 and name  HB#)   (resid  45 and name  HD#)   3.600    1.800    1.800  
assign (resid  42 and name   HN)   (resid  42 and name  HB#)   2.750    0.950    0.950  
assign (resid  42 and name   HN)   (resid  43 and name   HN)   3.400    1.600    1.600  
assign (resid  42 and name   HN)   (resid  43 and name  HB#)   3.840    2.040    2.040  
assign (resid  42 and name   HN)   (resid  44 and name  HG#)   3.840    2.040    2.040  
assign (resid  42 and name   HN)   (resid  45 and name  HD#)   4.400    2.600    2.600  
assign (resid  42 and name   HN)   (resid  49 and name  HG#)   4.180    2.380    2.380  
assign (resid  42 and name   HA)   (resid  42 and name  HD1)   2.600    0.800    0.800  
assign (resid  42 and name   HA)   (resid  42 and name  HE#)   3.400    1.600    1.600  
assign (resid  42 and name   HA)   (resid  46 and name  HD#)   3.300    1.500    1.500  
assign (resid  42 and name   HA)   (resid  46 and name  HE#)   3.600    1.800    1.800  
assign (resid  42 and name  HB#)   (resid  42 and name  HD1)   2.500    0.700    0.700  
assign (resid  42 and name  HB#)   (resid  42 and name  HE#)   3.505    1.705    1.705  
assign (resid  42 and name  HB#)   (resid  45 and name  HD#)   4.240    2.440    2.440  
assign (resid  42 and name  HB#)   (resid  46 and name   HN)   3.840    2.040    2.040  
assign (resid  42 and name  HB#)   (resid  46 and name  HD#)   4.840    3.040    3.040  
assign (resid  42 and name  HB#)   (resid  46 and name  HE#)   4.840    3.040    3.040  
assign (resid  42 and name  HD#)   (resid  43 and name   HN)   3.600    1.800    1.800  
assign (resid  42 and name  HD#)   (resid  45 and name  HE#)   5.400    3.600    3.600  
assign (resid  42 and name  HD#)   (resid  46 and name   HA)   4.400    2.600    2.600  
assign (resid  42 and name  HD#)   (resid  46 and name  HB#)   3.740    1.940    1.940  
assign (resid  42 and name  HD#)   (resid  46 and name  HE#)   4.300    2.500    2.500  
assign (resid  42 and name  HD#)   (resid  47 and name  HA1)   4.400    2.600    2.600  
assign (resid  42 and name  HD#)   (resid  47 and name  HA2)   4.400    2.600    2.600  
assign (resid  42 and name  HD#)   (resid  47 and name  HA#)   3.995    2.195    2.195  
assign (resid  42 and name  HD#)   (resid  49 and name   HA)   4.400    2.600    2.600  
assign (resid  42 and name  HD#)   (resid  49 and name   HB)   4.400    2.600    2.600  
assign (resid  42 and name  HD#)   (resid  49 and name   HB)   4.380    2.580    2.580  
assign (resid  42 and name  HE#)   (resid  43 and name   HN)   4.400    2.600    2.600  
assign (resid  42 and name  HE#)   (resid  45 and name   HN)   4.400    2.600    2.600  
assign (resid  42 and name  HE#)   (resid  45 and name  HD#)   5.400    3.600    3.600  
assign (resid  42 and name  HE#)   (resid  46 and name   HN)   4.400    2.600    2.600  
assign (resid  42 and name  HE#)   (resid  46 and name  HB#)   4.840    3.040    3.040  
assign (resid  42 and name  HE#)   (resid  46 and name  HD1)   3.600    1.800    1.800  
assign (resid  42 and name  HE#)   (resid  46 and name  HE#)   3.600    1.800    1.800  
assign (resid  42 and name  HE#)   (resid  47 and name   HN)   4.400    2.600    2.600  
assign (resid  42 and name  HE#)   (resid  47 and name  HA1)   4.400    2.600    2.600  
assign (resid  42 and name  HE#)   (resid  47 and name  HA2)   4.400    2.600    2.600  
assign (resid  42 and name  HE#)   (resid  47 and name  HA#)   3.995    2.195    2.195  
assign (resid  42 and name  HE#)   (resid  49 and name   HA)   4.400    2.600    2.600  
assign (resid  42 and name  HE#)   (resid  49 and name   HB)   4.400    2.600    2.600  
assign (resid  42 and name  HE#)   (resid  49 and name  HG#)   5.180    3.380    3.380  
assign (resid  42 and name  HD1)   (resid  43 and name   HN)   2.600    0.800    0.800  
assign (resid  42 and name  HD1)   (resid  46 and name   HN)   3.400    1.600    1.600  
assign (resid  42 and name  HD1)   (resid  48 and name  HD#)   3.840    2.040    2.040  
assign (resid  42 and name  HE#)   (resid  46 and name   HN)   3.400    1.600    1.600  
assign (resid  42 and name  HE#)   (resid  47 and name   HN)   3.400    1.600    1.600  
assign (resid  43 and name   HN)   (resid  43 and name  HB#)   2.760    0.960    0.960  
assign (resid  43 and name   HN)   (resid  43 and name  HG#)   3.040    1.240    1.240  
assign (resid  43 and name   HN)   (resid  44 and name   HN)   2.600    0.800    0.800  
assign (resid  43 and name   HN)   (resid  44 and name  HG#)   3.840    2.040    2.040  
assign (resid  43 and name   HN)   (resid  44 and name  HD#)   3.840    2.040    2.040  
assign (resid  43 and name   HN)   (resid  45 and name  HE1)   2.600    0.800    0.800  
assign (resid  43 and name   HA)   (resid  43 and name  HG#)   2.785    0.985    0.985  
assign (resid  43 and name   HA)   (resid  43 and name  HD#)   3.840    2.040    2.040  
assign (resid  43 and name   HA)   (resid  44 and name   HN)   2.600    0.800    0.800  
assign (resid  43 and name  HB2)   (resid  44 and name   HN)   2.600    0.800    0.800  
assign (resid  43 and name  HB1)   (resid  44 and name   HN)   2.600    0.800    0.800  
assign (resid  43 and name  HB#)   (resid  43 and name  HD#)   2.735    0.935    0.935  
assign (resid  43 and name  HB#)   (resid  44 and name   HA)   3.840    2.040    2.040  
assign (resid  43 and name  HB#)   (resid  44 and name  HG#)   4.275    2.475    2.475  
assign (resid  43 and name  HB#)   (resid  45 and name  HE#)   4.100    2.300    2.300  
assign (resid  43 and name  HB#)   (resid  45 and name  HD1)   3.840    2.040    2.040  
assign (resid  44 and name   HN)   (resid  44 and name  HB2)   2.600    0.800    0.800  
assign (resid  44 and name   HN)   (resid  44 and name  HB1)   2.600    0.800    0.800  
assign (resid  44 and name   HN)   (resid  44 and name  HG#)   3.840    2.040    2.040  
assign (resid  44 and name   HN)   (resid  44 and name  HD#)   3.840    2.040    2.040  
assign (resid  44 and name   HN)   (resid  45 and name   HN)   2.600    0.800    0.800  
assign (resid  44 and name   HN)   (resid  46 and name   HN)   3.400    1.600    1.600  
assign (resid  44 and name   HA)   (resid  44 and name  HD#)   3.840    2.040    2.040  
assign (resid  44 and name   HA)   (resid  45 and name  HB#)   3.840    2.040    2.040  
assign (resid  44 and name   HA)   (resid  47 and name   HN)   3.400    1.600    1.600  
assign (resid  44 and name  HB2)   (resid  45 and name   HN)   3.400    1.600    1.600  
assign (resid  44 and name  HB2)   (resid  45 and name   HA)   3.400    1.600    1.600  
assign (resid  44 and name  HB1)   (resid  45 and name   HN)   3.400    1.600    1.600  
assign (resid  44 and name  HB1)   (resid  45 and name   HA)   3.400    1.600    1.600  
assign (resid  44 and name  HB#)   (resid  45 and name  HB#)   4.275    2.475    2.475  
assign (resid  44 and name  HG#)   (resid  45 and name   HN)   3.840    2.040    2.040  
assign (resid  44 and name  HG#)   (resid  45 and name   HA)   3.840    2.040    2.040  
assign (resid  44 and name  HG#)   (resid  45 and name  HD#)   5.040    3.240    3.240  
assign (resid  44 and name  HD2)   (resid  45 and name   HN)   3.400    1.600    1.600  
assign (resid  44 and name  HD1)   (resid  45 and name   HN)   3.400    1.600    1.600  
assign (resid  44 and name  HD#)   (resid  45 and name   HN)   2.990    1.190    1.190  
assign (resid  44 and name  HD#)   (resid  45 and name  HE#)   4.040    2.240    2.240  
assign (resid  45 and name   HN)   (resid  45 and name  HB2)   2.600    0.800    0.800  
assign (resid  45 and name   HN)   (resid  45 and name  HB1)   2.600    0.800    0.800  
assign (resid  45 and name   HN)   (resid  45 and name  HB#)   2.395    0.595    0.595  
assign (resid  45 and name   HN)   (resid  46 and name   HN)   2.600    0.800    0.800  
assign (resid  45 and name   HN)   (resid  46 and name  HD#)   3.600    1.800    1.800  
assign (resid  45 and name   HN)   (resid  46 and name  HE#)   4.400    2.600    2.600  
assign (resid  45 and name   HN)   (resid  47 and name   HN)   3.400    1.600    1.600  
assign (resid  45 and name   HA)   (resid  46 and name  HB#)   3.840    2.040    2.040  
assign (resid  45 and name  HB2)   (resid  46 and name   HN)   3.400    1.600    1.600  
assign (resid  45 and name  HB2)   (resid  46 and name  HE#)   3.600    1.800    1.800  
assign (resid  45 and name  HB1)   (resid  46 and name   HN)   3.400    1.600    1.600  
assign (resid  45 and name  HB1)   (resid  46 and name  HE#)   3.600    1.800    1.800  
assign (resid  45 and name  HB#)   (resid  46 and name  HB#)   4.275    2.475    2.475  
assign (resid  45 and name  HB#)   (resid  46 and name  HD#)   4.040    2.240    2.240  
assign (resid  45 and name  HB#)   (resid  46 and name  HE#)   3.415    1.615    1.615  
assign (resid  45 and name  HB#)   (resid  46 and name  HD1)   3.040    1.240    1.240  
assign (resid  45 and name  HE#)   (resid  46 and name   HN)   4.400    2.600    2.600  
assign (resid  45 and name  HE#)   (resid  46 and name  HE#)   4.600    2.800    2.800  
assign (resid  46 and name   HN)   (resid  46 and name  HD1)   2.600    0.800    0.800  
assign (resid  46 and name   HN)   (resid  46 and name  HE#)   3.400    1.600    1.600  
assign (resid  46 and name   HN)   (resid  47 and name   HN)   2.300    0.500    0.500  
assign (resid  46 and name   HN)   (resid  47 and name  HA1)   3.400    1.600    1.600  
assign (resid  46 and name   HN)   (resid  47 and name  HA2)   3.400    1.600    1.600  
assign (resid  46 and name   HA)   (resid  46 and name  HE#)   3.700    1.900    1.900  
assign (resid  46 and name  HB2)   (resid  47 and name   HN)   3.400    1.600    1.600  
assign (resid  46 and name  HB1)   (resid  47 and name   HN)   3.400    1.600    1.600  
assign (resid  46 and name  HB#)   (resid  49 and name   HA)   3.840    2.040    2.040  
assign (resid  46 and name  HD#)   (resid  47 and name  HA#)   4.840    3.040    3.040  
assign (resid  46 and name  HD#)   (resid  49 and name  HG#)   5.180    3.380    3.380  
assign (resid  46 and name  HE#)   (resid  49 and name  HG#)   5.180    3.380    3.380  
assign (resid  46 and name  HD1)   (resid  47 and name   HN)   3.400    1.600    1.600  
assign (resid  47 and name   HN)   (resid  47 and name  HA1)   2.300    0.500    0.500  
assign (resid  47 and name   HN)   (resid  47 and name  HA2)   2.300    0.500    0.500  
assign (resid  47 and name   HN)   (resid  48 and name  HD2)   3.400    1.600    1.600  
assign (resid  47 and name   HN)   (resid  48 and name  HD1)   3.400    1.600    1.600  
assign (resid  48 and name   HA)   (resid  49 and name   HN)   2.300    0.500    0.500  
assign (resid  48 and name   HA)   (resid  49 and name   HN)   4.180    2.380    2.380  
assign (resid  49 and name   HN)   (resid  49 and name  HG#)   2.860    1.060    1.060  



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    LEU  16           HN       LEU  16  -3.713   4.137   9.285
    2    HA   LEU  16           HA       LEU  16  -2.202   5.435   7.297
    3   1HB   LEU  16          HB2       LEU  16  -2.971   3.153   7.033
    4   2HB   LEU  16          HB1       LEU  16  -4.642   3.671   7.085
    5    HG   LEU  16           HG       LEU  16  -3.755   3.069   4.809
    6   1HD1  LEU  16          HD11      LEU  16  -5.692   4.714   5.412
    7   2HD1  LEU  16          HD12      LEU  16  -5.120   4.572   3.750
    8   3HD1  LEU  16          HD13      LEU  16  -4.595   5.924   4.749
    9   1HD2  LEU  16          HD21      LEU  16  -1.533   4.267   5.293
   10   2HD2  LEU  16          HD22      LEU  16  -2.392   5.737   4.837
   11   3HD2  LEU  16          HD23      LEU  16  -2.229   4.417   3.680
   12   1HN   CGU  17          HN        CGU  17  -2.518   7.242   6.210
   13    HA   CGU  17           HA       CGU  17  -5.158   8.547   6.338
   14   1HB   CGU  17          HB1       CGU  17  -3.815  10.673   5.904
   15   2HB   CGU  17          HB2       CGU  17  -2.365   9.708   6.190
   16    HG   CGU  17           HG2      CGU  17  -3.224   9.101   8.424
   17    HA   PRO  18           HA       PRO  18  -5.734   8.713   1.960
   18   1HB   PRO  18          HB2       PRO  18  -5.286  11.660   1.932
   19   2HB   PRO  18          HB1       PRO  18  -6.648  10.722   1.311
   20   1HG   PRO  18          HG2       PRO  18  -6.883  12.098   3.571
   21   2HG   PRO  18          HG1       PRO  18  -7.614  10.490   3.411
   22   1HD   PRO  18          HD2       PRO  18  -5.125  11.308   4.848
   23   2HD   PRO  18          HD1       PRO  18  -6.350  10.108   5.308
   24    H    LYS  19           HN       LYS  19  -3.859   7.641   1.316
   25    HA   LYS  19           HA       LYS  19  -1.617   9.349   0.449
   26   1HB   LYS  19          HB2       LYS  19  -1.613   6.449   1.292
   27   2HB   LYS  19          HB1       LYS  19  -0.224   7.284   0.614
   28   1HG   LYS  19          HG2       LYS  19  -0.141   8.782   2.492
   29   2HG   LYS  19          HG1       LYS  19  -1.625   8.094   3.150
   30   1HD   LYS  19          HD2       LYS  19  -0.488   5.919   3.376
   31   2HD   LYS  19          HD1       LYS  19   0.999   6.654   2.775
   32   1HE   LYS  19          HE2       LYS  19   1.030   8.180   4.672
   33   2HE   LYS  19          HE1       LYS  19  -0.486   7.498   5.262
   34   1HZ   LYS  19          HZ1       LYS  19   0.577   5.426   5.678
   35   2HZ   LYS  19          HZ2       LYS  19   1.535   6.630   6.380
   36   3HZ   LYS  19          HZ3       LYS  19   2.006   5.922   4.918
   37    H    ARG  20           HN       ARG  20  -3.856   6.816  -0.504
   38    HA   ARG  20           HA       ARG  20  -2.603   6.163  -2.959
   39   1HB   ARG  20          HB2       ARG  20  -5.330   5.678  -1.823
   40   2HB   ARG  20          HB1       ARG  20  -4.994   5.295  -3.505
   41   1HG   ARG  20          HG2       ARG  20  -4.724   3.324  -2.154
   42   2HG   ARG  20          HG1       ARG  20  -3.157   3.826  -2.785
   43   1HD   ARG  20          HD2       ARG  20  -2.941   3.165  -0.466
   44   2HD   ARG  20          HD1       ARG  20  -2.650   4.895  -0.627
   45    HE   ARG  20           HE       ARG  20  -4.394   5.243   0.787
   46   1HH1  ARG  20          HH11      ARG  20  -4.820   2.070  -0.643
   47   2HH1  ARG  20          HH12      ARG  20  -6.266   1.733   0.245
   48   1HH2  ARG  20          HH21      ARG  20  -6.294   4.786   1.952
   49   2HH2  ARG  20          HH22      ARG  20  -7.102   3.272   1.719
   50   1HN   CGU  21          HN        CGU  21  -3.986   9.067  -2.131
   51    HA   CGU  21           HA       CGU  21  -5.598   9.770  -4.286
   52   1HB   CGU  21          HB1       CGU  21  -3.702  11.409  -2.592
   53   2HB   CGU  21          HB2       CGU  21  -4.707  12.137  -3.849
   54    HG   CGU  21           HG2      CGU  21  -5.727  10.505  -1.508
   55    H    VAL  22           HN       VAL  22  -2.084   9.704  -3.985
   56    HA   VAL  22           HA       VAL  22  -1.571  10.829  -6.575
   57    HB   VAL  22           HB       VAL  22   0.287   9.232  -4.800
   58   1HG1  VAL  22          HG11      VAL  22   1.950  10.798  -6.111
   59   2HG1  VAL  22          HG12      VAL  22   0.662  10.777  -7.315
   60   3HG1  VAL  22          HG13      VAL  22   1.406   9.266  -6.793
   61   1HG2  VAL  22          HG21      VAL  22  -0.277  12.188  -4.921
   62   2HG2  VAL  22          HG22      VAL  22   1.153  11.501  -4.150
   63   3HG2  VAL  22          HG23      VAL  22  -0.453  11.107  -3.539
   64    H    CYS  23           HN       CYS  23  -1.888   7.597  -5.223
   65    HA   CYS  23           HA       CYS  23  -0.806   6.020  -7.210
   66   1HB   CYS  23          HB2       CYS  23  -1.655   5.170  -5.063
   67   2HB   CYS  23          HB1       CYS  23  -3.304   5.455  -5.602
   68   1HN   CGU  24          HN        CGU  24  -4.010   7.529  -7.114
   69    HA   CGU  24           HA       CGU  24  -5.154   6.252  -9.317
   70   1HB   CGU  24          HB1       CGU  24  -6.304   8.713  -9.451
   71   2HB   CGU  24          HB2       CGU  24  -5.667   8.742  -7.804
   72    HG   CGU  24           HG2      CGU  24  -7.432   6.574  -8.975
   73    H    LEU  25           HN       LEU  25  -2.922   8.969  -9.167
   74    HA   LEU  25           HA       LEU  25  -3.195   9.694 -11.919
   75   1HB   LEU  25          HB2       LEU  25  -1.117  10.370  -9.842
   76   2HB   LEU  25          HB1       LEU  25  -1.056  10.979 -11.484
   77    HG   LEU  25           HG       LEU  25  -1.977  12.670 -10.037
   78   1HD1  LEU  25          HD11      LEU  25  -3.849  13.259 -11.289
   79   2HD1  LEU  25          HD12      LEU  25  -4.339  11.581 -11.524
   80   3HD1  LEU  25          HD13      LEU  25  -2.929  12.215 -12.373
   81   1HD2  LEU  25          HD21      LEU  25  -4.277  10.861  -9.371
   82   2HD2  LEU  25          HD22      LEU  25  -3.820  12.391  -8.622
   83   3HD2  LEU  25          HD23      LEU  25  -2.837  10.951  -8.357
   84    H    ASN  26           HN       ASN  26  -0.673   7.937 -10.088
   85    HA   ASN  26           HA       ASN  26   0.734   7.272 -12.507
   86   1HB   ASN  26          HB2       ASN  26   2.201   5.918 -11.002
   87   2HB   ASN  26          HB1       ASN  26   2.069   7.610 -10.546
   88   1HD2  ASN  26          HD21      ASN  26   1.691   8.022  -8.490
   89   2HD2  ASN  26          HD22      ASN  26   1.039   6.913  -7.337
   90    HA   PRO  27           HA       PRO  27  -1.904   3.804 -13.506
   91   1HB   PRO  27          HB2       PRO  27   0.315   3.190 -15.372
   92   2HB   PRO  27          HB1       PRO  27  -1.405   3.419 -15.702
   93   1HG   PRO  27          HG2       PRO  27   0.368   5.288 -16.377
   94   2HG   PRO  27          HG1       PRO  27  -1.226   5.733 -15.736
   95   1HD   PRO  27          HD2       PRO  27   1.429   5.686 -14.349
   96   2HD   PRO  27          HD1       PRO  27   0.125   6.889 -14.248
   97    H    ASP  28           HN       ASP  28   1.405   3.626 -12.446
   98    HA   ASP  28           HA       ASP  28   2.035   0.967 -12.523
   99   1HB   ASP  28          HB2       ASP  28   2.548   2.905 -10.256
  100   2HB   ASP  28          HB1       ASP  28   3.346   1.349 -10.435
  101    H    CYS  29           HN       CYS  29   0.463   2.500  -9.692
  102    HA   CYS  29           HA       CYS  29  -0.530  -0.139  -8.898
  103   1HB   CYS  29          HB2       CYS  29  -1.056   0.935  -6.731
  104   2HB   CYS  29          HB1       CYS  29   0.645   1.064  -7.162
  105    H    ASP  30           HN       ASP  30  -1.629   2.710 -10.429
  106    HA   ASP  30           HA       ASP  30  -4.281   2.875  -9.542
  107   1HB   ASP  30          HB2       ASP  30  -3.207   4.597 -10.943
  108   2HB   ASP  30          HB1       ASP  30  -3.191   3.479 -12.301
  109    H    GLU  31           HN       GLU  31  -2.734   0.718 -11.831
  110    HA   GLU  31           HA       GLU  31  -4.985  -0.310 -13.133
  111   1HB   GLU  31          HB2       GLU  31  -2.673  -0.700 -13.873
  112   2HB   GLU  31          HB1       GLU  31  -2.396  -1.716 -12.466
  113   1HG   GLU  31          HG2       GLU  31  -4.076  -3.294 -13.265
  114   2HG   GLU  31          HG1       GLU  31  -4.372  -2.270 -14.669
  115    H    LEU  32           HN       LEU  32  -3.832  -0.824  -9.906
  116    HA   LEU  32           HA       LEU  32  -4.834  -3.345  -9.300
  117   1HB   LEU  32          HB2       LEU  32  -3.401  -1.933  -7.827
  118   2HB   LEU  32          HB1       LEU  32  -4.800  -0.934  -7.482
  119    HG   LEU  32           HG       LEU  32  -5.918  -2.990  -6.544
  120   1HD1  LEU  32          HD11      LEU  32  -4.773  -4.798  -7.444
  121   2HD1  LEU  32          HD12      LEU  32  -4.191  -4.734  -5.780
  122   3HD1  LEU  32          HD13      LEU  32  -3.192  -4.102  -7.088
  123   1HD2  LEU  32          HD21      LEU  32  -5.166  -1.484  -4.945
  124   2HD2  LEU  32          HD22      LEU  32  -3.470  -1.752  -5.345
  125   3HD2  LEU  32          HD23      LEU  32  -4.376  -2.989  -4.475
  126    H    ALA  33           HN       ALA  33  -6.474  -0.187  -9.176
  127    HA   ALA  33           HA       ALA  33  -8.905  -1.043  -8.091
  128   1HB   ALA  33          HB1       ALA  33  -9.844   1.026  -8.979
  129   2HB   ALA  33          HB2       ALA  33  -8.416   1.243  -9.992
  130   3HB   ALA  33          HB3       ALA  33  -8.268   1.301  -8.235
  131    H    ASP  34           HN       ASP  34  -7.643  -1.580 -11.254
  132    HA   ASP  34           HA       ASP  34 -10.061  -1.758 -12.695
  133   1HB   ASP  34          HB2       ASP  34  -7.362  -3.014 -13.196
  134   2HB   ASP  34          HB1       ASP  34  -8.704  -3.098 -14.330
  135    H    HIS  35           HN       HIS  35  -8.213  -4.239 -10.904
  136    HA   HIS  35           HA       HIS  35 -10.463  -6.063 -11.422
  137   1HB   HIS  35          HB2       HIS  35  -8.925  -7.949 -11.085
  138   2HB   HIS  35          HB1       HIS  35  -8.449  -6.919 -12.424
  139    HD1  HIS  35           HD1      HIS  35  -6.231  -8.533 -11.673
  140    HD2  HIS  35           HD2      HIS  35  -7.114  -5.138  -9.459
  141    HE1  HIS  35           HE1      HIS  35  -4.106  -7.945 -10.468
  142    HE2  HIS  35           HE2      HIS  35  -4.634  -5.817  -9.231
  143    H    ILE  36           HN       ILE  36  -8.753  -4.472  -8.853
  144    HA   ILE  36           HA       ILE  36 -10.562  -5.770  -6.980
  145    HB   ILE  36           HB       ILE  36  -8.809  -6.230  -5.312
  146   1HG1  ILE  36          HG12      ILE  36  -6.908  -5.593  -7.578
  147   2HG1  ILE  36          HG11      ILE  36  -7.052  -4.728  -6.053
  148   1HG2  ILE  36          HG21      ILE  36  -8.258  -7.703  -7.874
  149   2HG2  ILE  36          HG22      ILE  36  -9.707  -7.946  -6.898
  150   3HG2  ILE  36          HG23      ILE  36  -8.119  -8.308  -6.223
  151   1HD1  ILE  36          HD11      ILE  36  -6.558  -7.422  -5.415
  152   2HD1  ILE  36          HD12      ILE  36  -5.497  -6.031  -5.200
  153   3HD1  ILE  36          HD13      ILE  36  -5.429  -6.969  -6.691
  154    H    GLY  37           HN       GLY  37  -7.832  -3.437  -7.064
  155   1HA   GLY  37          HA2       GLY  37  -7.643  -1.323  -6.201
  156   2HA   GLY  37          HA1       GLY  37  -9.394  -1.237  -6.291
  157    H    PHE  38           HN       PHE  38  -6.769  -2.562  -4.271
  158    HA   PHE  38           HA       PHE  38  -8.457  -2.019  -1.921
  159   1HB   PHE  38          HB2       PHE  38  -6.529  -4.282  -2.413
  160   2HB   PHE  38          HB1       PHE  38  -7.060  -3.843  -0.795
  161    HD1  PHE  38           HD1      PHE  38  -8.626  -4.453  -4.135
  162    HD2  PHE  38           HD2      PHE  38  -8.747  -5.111   0.064
  163    HE1  PHE  38           HE1      PHE  38 -10.631  -5.848  -4.416
  164    HE2  PHE  38           HE2      PHE  38 -10.753  -6.510  -0.207
  165    HZ   PHE  38           HZ       PHE  38 -11.698  -6.880  -2.451
  166    H    GLN  39           HN       GLN  39  -4.996  -2.780  -2.363
  167    HA   GLN  39           HA       GLN  39  -3.991  -0.223  -1.818
  168   1HB   GLN  39          HB2       GLN  39  -3.228  -0.516   0.524
  169   2HB   GLN  39          HB1       GLN  39  -4.977  -0.421   0.377
  170   1HG   GLN  39          HG2       GLN  39  -5.138  -2.843   0.583
  171   2HG   GLN  39          HG1       GLN  39  -3.383  -2.956   0.698
  172   1HE2  GLN  39          HE21      GLN  39  -6.170  -2.909   2.444
  173   2HE2  GLN  39          HE22      GLN  39  -5.540  -2.415   3.976
  174    H    GLU  40           HN       GLU  40  -3.518  -3.700  -1.603
  175    HA   GLU  40           HA       GLU  40  -0.918  -4.103  -1.121
  176   1HB   GLU  40          HB2       GLU  40  -0.960  -5.990  -2.715
  177   2HB   GLU  40          HB1       GLU  40  -2.390  -5.924  -1.695
  178   1HG   GLU  40          HG2       GLU  40  -3.645  -4.903  -3.538
  179   2HG   GLU  40          HG1       GLU  40  -2.211  -5.006  -4.557
  180    H    ALA  41           HN       ALA  41  -2.115  -3.018  -4.312
  181    HA   ALA  41           HA       ALA  41   0.330  -2.999  -5.652
  182   1HB   ALA  41          HB1       ALA  41  -1.936  -2.713  -6.677
  183   2HB   ALA  41          HB2       ALA  41  -0.699  -1.614  -7.287
  184   3HB   ALA  41          HB3       ALA  41  -1.899  -1.036  -6.131
  185    H    TYR  42           HN       TYR  42  -1.228  -0.393  -3.799
  186    HA   TYR  42           HA       TYR  42   0.772   1.547  -4.259
  187   1HB   TYR  42          HB2       TYR  42  -1.515   2.075  -3.472
  188   2HB   TYR  42          HB1       TYR  42  -1.137   1.332  -1.924
  189    HD1  TYR  42           HD1      TYR  42   0.948   2.347  -0.674
  190    HD2  TYR  42           HD2      TYR  42  -1.222   4.342  -3.731
  191    HE1  TYR  42           HE1      TYR  42   1.809   4.503   0.131
  192    HE2  TYR  42           HE2      TYR  42  -0.368   6.505  -2.942
  193    HH   TYR  42           HH       TYR  42   1.671   7.314  -1.639
  194    H    ARG  43           HN       ARG  43   0.371  -0.934  -1.791
  195    HA   ARG  43           HA       ARG  43   2.416  -0.085  -0.049
  196   1HB   ARG  43          HB2       ARG  43   1.360  -2.878  -0.503
  197   2HB   ARG  43          HB1       ARG  43   2.316  -2.358   0.876
  198   1HG   ARG  43          HG2       ARG  43   0.521  -0.794   1.501
  199   2HG   ARG  43          HG1       ARG  43  -0.441  -1.394   0.150
  200   1HD   ARG  43          HD2       ARG  43  -1.167  -2.484   2.161
  201   2HD   ARG  43          HD1       ARG  43  -0.338  -3.660   1.144
  202    HE   ARG  43           HE       ARG  43   1.539  -2.593   2.907
  203   1HH1  ARG  43          HH11      ARG  43  -1.363  -4.546   3.052
  204   2HH1  ARG  43          HH12      ARG  43  -0.869  -5.393   4.478
  205   1HH2  ARG  43          HH21      ARG  43   2.184  -3.712   4.786
  206   2HH2  ARG  43          HH22      ARG  43   1.145  -4.921   5.462
  207    H    ARG  44           HN       ARG  44   2.528  -1.746  -3.085
  208    HA   ARG  44           HA       ARG  44   4.925  -3.155  -2.869
  209   1HB   ARG  44          HB2       ARG  44   3.801  -1.797  -5.325
  210   2HB   ARG  44          HB1       ARG  44   5.015  -3.069  -5.316
  211   1HG   ARG  44          HG2       ARG  44   3.390  -4.615  -4.347
  212   2HG   ARG  44          HG1       ARG  44   2.175  -3.338  -4.358
  213   1HD   ARG  44          HD2       ARG  44   2.431  -3.176  -6.816
  214   2HD   ARG  44          HD1       ARG  44   3.540  -4.546  -6.758
  215    HE   ARG  44           HE       ARG  44   0.716  -4.660  -6.742
  216   1HH1  ARG  44          HH11      ARG  44   3.522  -6.250  -5.367
  217   2HH1  ARG  44          HH12      ARG  44   2.684  -7.736  -5.076
  218   1HH2  ARG  44          HH21      ARG  44  -0.374  -6.621  -6.357
  219   2HH2  ARG  44          HH22      ARG  44   0.476  -7.948  -5.640
  220    H    PHE  45           HN       PHE  45   4.379   0.269  -3.608
  221    HA   PHE  45           HA       PHE  45   7.298   0.619  -3.641
  222   1HB   PHE  45          HB2       PHE  45   6.948   2.652  -5.001
  223   2HB   PHE  45          HB1       PHE  45   6.393   1.188  -5.795
  224    HD1  PHE  45           HD1      PHE  45   3.788   0.676  -5.337
  225    HD2  PHE  45           HD2      PHE  45   5.638   4.505  -5.175
  226    HE1  PHE  45           HE1      PHE  45   1.616   1.740  -5.753
  227    HE2  PHE  45           HE2      PHE  45   3.462   5.575  -5.589
  228    HZ   PHE  45           HZ       PHE  45   1.449   4.193  -5.879
  229    H    TYR  46           HN       TYR  46   5.081   0.821  -1.429
  230    HA   TYR  46           HA       TYR  46   6.288   3.178  -0.185
  231   1HB   TYR  46          HB2       TYR  46   3.372   2.748  -0.656
  232   2HB   TYR  46          HB1       TYR  46   3.865   3.492   0.860
  233    HD1  TYR  46           HD1      TYR  46   4.416   3.833  -2.821
  234    HD2  TYR  46           HD2      TYR  46   4.116   5.783   0.946
  235    HE1  TYR  46           HE1      TYR  46   4.591   6.015  -3.941
  236    HE2  TYR  46           HE2      TYR  46   4.286   7.969  -0.163
  237    HH   TYR  46           HH       TYR  46   5.466   8.614  -2.788
  238    H    GLY  47           HN       GLY  47   3.694   0.900   0.718
  239   1HA   GLY  47          HA2       GLY  47   4.484  -1.034   2.141
  240   2HA   GLY  47          HA1       GLY  47   5.290   0.198   3.097
  241    HA   PRO  48           HA       PRO  48   1.660   0.807   5.514
  242   1HB   PRO  48          HB2       PRO  48   1.657   3.714   5.275
  243   2HB   PRO  48          HB1       PRO  48   2.091   2.712   6.659
  244   1HG   PRO  48          HG2       PRO  48   3.911   4.150   5.259
  245   2HG   PRO  48          HG1       PRO  48   4.306   2.621   6.065
  246   1HD   PRO  48          HD2       PRO  48   3.727   3.146   3.171
  247   2HD   PRO  48          HD1       PRO  48   4.970   2.107   3.901
  248    H    VAL  49           HN       VAL  49   0.384  -0.091   3.640
  249    HA   VAL  49           HA       VAL  49  -1.534  -0.147   2.434
  250    HB   VAL  49           HB       VAL  49  -2.138   2.514   3.727
  251   1HG1  VAL  49          HG11      VAL  49  -3.583   2.261   1.873
  252   2HG1  VAL  49          HG12      VAL  49  -4.518   1.800   3.295
  253   3HG1  VAL  49          HG13      VAL  49  -3.861   0.557   2.230
  254   1HG2  VAL  49          HG21      VAL  49  -2.202  -0.241   4.723
  255   2HG2  VAL  49          HG22      VAL  49  -3.692   0.665   4.988
  256   3HG2  VAL  49          HG23      VAL  49  -2.161   1.286   5.605
  Start of MODEL    2
    1    H    LEU  16           HN       LEU  16   5.414  -3.245   0.828
    2    HA   LEU  16           HA       LEU  16   4.656  -2.958  -2.007
    3   1HB   LEU  16          HB2       LEU  16   2.714  -3.379  -0.594
    4   2HB   LEU  16          HB1       LEU  16   3.161  -2.045   0.452
    5    HG   LEU  16           HG       LEU  16   2.776  -0.468  -1.406
    6   1HD1  LEU  16          HD11      LEU  16   3.247  -1.888  -3.292
    7   2HD1  LEU  16          HD12      LEU  16   1.597  -1.281  -3.420
    8   3HD1  LEU  16          HD13      LEU  16   1.888  -2.937  -2.888
    9   1HD2  LEU  16          HD21      LEU  16   0.318  -0.702  -1.473
   10   2HD2  LEU  16          HD22      LEU  16   0.981  -0.878   0.152
   11   3HD2  LEU  16          HD23      LEU  16   0.476  -2.304  -0.754
   12   1HN   CGU  17          HN        CGU  17   5.315  -1.105   0.971
   13    HA   CGU  17           HA       CGU  17   6.408   0.848   1.339
   14   1HB   CGU  17          HB1       CGU  17   7.429   1.241  -1.398
   15   2HB   CGU  17          HB2       CGU  17   7.862  -0.310  -0.674
   16    HG   CGU  17           HG2      CGU  17   8.716   0.885   1.321
   17    HA   PRO  18           HA       PRO  18   3.055   3.504  -0.028
   18   1HB   PRO  18          HB2       PRO  18   4.517   5.479   1.635
   19   2HB   PRO  18          HB1       PRO  18   2.830   4.963   1.721
   20   1HG   PRO  18          HG2       PRO  18   4.598   4.174   3.555
   21   2HG   PRO  18          HG1       PRO  18   3.333   3.077   2.970
   22   1HD   PRO  18          HD2       PRO  18   6.236   3.180   2.249
   23   2HD   PRO  18          HD1       PRO  18   5.195   1.770   2.533
   24    H    LYS  19           HN       LYS  19   3.762   3.653  -2.198
   25    HA   LYS  19           HA       LYS  19   5.512   5.955  -2.786
   26   1HB   LYS  19          HB2       LYS  19   5.002   3.483  -4.453
   27   2HB   LYS  19          HB1       LYS  19   5.996   4.846  -4.945
   28   1HG   LYS  19          HG2       LYS  19   7.563   4.390  -3.158
   29   2HG   LYS  19          HG1       LYS  19   6.542   3.074  -2.572
   30   1HD   LYS  19          HD2       LYS  19   6.853   1.891  -4.694
   31   2HD   LYS  19          HD1       LYS  19   7.875   3.206  -5.277
   32   1HE   LYS  19          HE2       LYS  19   9.471   2.768  -3.482
   33   2HE   LYS  19          HE1       LYS  19   8.443   1.472  -2.875
   34   1HZ   LYS  19          HZ1       LYS  19  10.252   0.605  -4.211
   35   2HZ   LYS  19          HZ2       LYS  19   9.760   1.532  -5.537
   36   3HZ   LYS  19          HZ3       LYS  19   8.768   0.289  -4.960
   37    H    ARG  20           HN       ARG  20   2.398   5.478  -2.490
   38    HA   ARG  20           HA       ARG  20   1.440   6.224  -5.097
   39   1HB   ARG  20          HB2       ARG  20   0.085   5.872  -2.431
   40   2HB   ARG  20          HB1       ARG  20  -0.772   6.463  -3.847
   41   1HG   ARG  20          HG2       ARG  20  -1.176   4.125  -3.653
   42   2HG   ARG  20          HG1       ARG  20  -0.119   4.383  -5.040
   43   1HD   ARG  20          HD2       ARG  20   1.820   3.769  -3.663
   44   2HD   ARG  20          HD1       ARG  20   0.751   3.488  -2.291
   45    HE   ARG  20           HE       ARG  20   1.307   1.686  -4.389
   46   1HH1  ARG  20          HH11      ARG  20  -1.321   2.739  -2.322
   47   2HH1  ARG  20          HH12      ARG  20  -2.219   1.273  -2.518
   48   1HH2  ARG  20          HH21      ARG  20   0.116  -0.235  -4.640
   49   2HH2  ARG  20          HH22      ARG  20  -1.404  -0.411  -3.832
   50   1HN   CGU  21          HN        CGU  21   3.136   8.120  -4.779
   51    HA   CGU  21           HA       CGU  21   2.108  10.425  -3.386
   52   1HB   CGU  21          HB1       CGU  21   4.370  10.160  -5.397
   53   2HB   CGU  21          HB2       CGU  21   4.001  11.624  -4.479
   54    HG   CGU  21           HG2      CGU  21   4.730   8.938  -3.280
   55    H    VAL  22           HN       VAL  22   2.274   9.230  -6.694
   56    HA   VAL  22           HA       VAL  22   0.774  11.513  -7.719
   57    HB   VAL  22           HB       VAL  22   1.790   9.074  -9.192
   58   1HG1  VAL  22          HG11      VAL  22   0.561  11.657 -10.112
   59   2HG1  VAL  22          HG12      VAL  22   0.049  10.007 -10.469
   60   3HG1  VAL  22          HG13      VAL  22   1.535  10.642 -11.176
   61   1HG2  VAL  22          HG21      VAL  22   3.491  10.767 -10.072
   62   2HG2  VAL  22          HG22      VAL  22   3.720  10.165  -8.430
   63   3HG2  VAL  22          HG23      VAL  22   3.026  11.765  -8.694
   64    H    CYS  23           HN       CYS  23   0.420   8.058  -7.087
   65    HA   CYS  23           HA       CYS  23  -1.986   7.539  -8.365
   66   1HB   CYS  23          HB2       CYS  23  -0.596   5.794  -7.337
   67   2HB   CYS  23          HB1       CYS  23  -1.003   6.404  -5.738
   68   1HN   CGU  24          HN        CGU  24  -1.455   8.755  -5.054
   69    HA   CGU  24           HA       CGU  24  -4.074   8.853  -4.172
   70   1HB   CGU  24          HB1       CGU  24  -2.701  11.217  -3.267
   71   2HB   CGU  24          HB2       CGU  24  -1.580   9.852  -3.282
   72    HG   CGU  24           HG2      CGU  24  -4.310   9.878  -1.967
   73    H    LEU  25           HN       LEU  25  -2.374  11.104  -6.289
   74    HA   LEU  25           HA       LEU  25  -4.254  13.190  -6.269
   75   1HB   LEU  25          HB2       LEU  25  -1.946  13.344  -7.179
   76   2HB   LEU  25          HB1       LEU  25  -2.439  12.350  -8.533
   77    HG   LEU  25           HG       LEU  25  -2.307  14.766  -9.069
   78   1HD1  LEU  25          HD11      LEU  25  -4.031  12.995 -10.025
   79   2HD1  LEU  25          HD12      LEU  25  -4.045  14.685 -10.527
   80   3HD1  LEU  25          HD13      LEU  25  -5.189  14.117  -9.311
   81   1HD2  LEU  25          HD21      LEU  25  -3.136  15.461  -6.771
   82   2HD2  LEU  25          HD22      LEU  25  -4.759  15.115  -7.368
   83   3HD2  LEU  25          HD23      LEU  25  -3.777  16.354  -8.151
   84    H    ASN  26           HN       ASN  26  -3.899  10.435  -8.521
   85    HA   ASN  26           HA       ASN  26  -6.491  11.074  -9.700
   86   1HB   ASN  26          HB2       ASN  26  -5.951   9.304 -11.343
   87   2HB   ASN  26          HB1       ASN  26  -4.714  10.552 -11.267
   88   1HD2  ASN  26          HD21      ASN  26  -5.199   7.321 -11.465
   89   2HD2  ASN  26          HD22      ASN  26  -3.696   6.760 -10.825
   90    HA   PRO  27           HA       PRO  27  -8.367   8.264  -6.704
   91   1HB   PRO  27          HB2       PRO  27 -10.740   8.855  -8.384
   92   2HB   PRO  27          HB1       PRO  27 -10.534   8.993  -6.634
   93   1HG   PRO  27          HG2       PRO  27 -10.601  11.167  -8.170
   94   2HG   PRO  27          HG1       PRO  27  -9.496  11.062  -6.787
   95   1HD   PRO  27          HD2       PRO  27  -8.919  10.731  -9.705
   96   2HD   PRO  27          HD1       PRO  27  -7.966  11.552  -8.453
   97    H    ASP  28           HN       ASP  28  -8.340   8.005 -10.180
   98    HA   ASP  28           HA       ASP  28  -9.803   5.722 -10.664
   99   1HB   ASP  28          HB2       ASP  28  -7.195   6.571 -11.944
  100   2HB   ASP  28          HB1       ASP  28  -8.261   5.327 -12.585
  101    H    CYS  29           HN       CYS  29  -6.360   5.895  -9.730
  102    HA   CYS  29           HA       CYS  29  -6.111   3.041  -9.563
  103   1HB   CYS  29          HB2       CYS  29  -3.865   3.488  -8.684
  104   2HB   CYS  29          HB1       CYS  29  -4.179   4.422 -10.142
  105    H    ASP  30           HN       ASP  30  -6.607   5.670  -7.253
  106    HA   ASP  30           HA       ASP  30  -6.194   4.260  -4.877
  107   1HB   ASP  30          HB2       ASP  30  -8.120   6.534  -5.399
  108   2HB   ASP  30          HB1       ASP  30  -7.603   5.986  -3.809
  109    H    GLU  31           HN       GLU  31  -8.951   4.308  -7.038
  110    HA   GLU  31           HA       GLU  31 -10.945   3.332  -5.382
  111   1HB   GLU  31          HB2       GLU  31 -11.463   4.109  -7.598
  112   2HB   GLU  31          HB1       GLU  31 -10.475   2.849  -8.322
  113   1HG   GLU  31          HG2       GLU  31 -12.826   2.324  -8.536
  114   2HG   GLU  31          HG1       GLU  31 -12.019   1.149  -7.505
  115    H    LEU  32           HN       LEU  32  -8.321   1.566  -6.965
  116    HA   LEU  32           HA       LEU  32  -9.260  -1.034  -6.695
  117   1HB   LEU  32          HB2       LEU  32  -7.176  -0.384  -7.880
  118   2HB   LEU  32          HB1       LEU  32  -6.405  -0.121  -6.327
  119    HG   LEU  32           HG       LEU  32  -6.801  -2.538  -5.794
  120   1HD1  LEU  32          HD11      LEU  32  -7.565  -2.684  -8.706
  121   2HD1  LEU  32          HD12      LEU  32  -8.651  -2.925  -7.338
  122   3HD1  LEU  32          HD13      LEU  32  -7.328  -4.056  -7.624
  123   1HD2  LEU  32          HD21      LEU  32  -4.623  -1.897  -6.494
  124   2HD2  LEU  32          HD22      LEU  32  -5.122  -1.800  -8.182
  125   3HD2  LEU  32          HD23      LEU  32  -5.037  -3.366  -7.377
  126    H    ALA  33           HN       ALA  33  -7.171   0.734  -4.388
  127    HA   ALA  33           HA       ALA  33  -7.413  -1.245  -2.352
  128   1HB   ALA  33          HB1       ALA  33  -5.477   0.067  -2.246
  129   2HB   ALA  33          HB2       ALA  33  -6.463   0.629  -0.896
  130   3HB   ALA  33          HB3       ALA  33  -6.383   1.574  -2.383
  131    H    ASP  34           HN       ASP  34  -9.554   1.164  -3.429
  132    HA   ASP  34           HA       ASP  34 -10.808   1.718  -0.905
  133   1HB   ASP  34          HB2       ASP  34 -10.756   3.393  -2.702
  134   2HB   ASP  34          HB1       ASP  34 -11.707   2.330  -3.730
  135    H    HIS  35           HN       HIS  35 -11.972   0.073  -3.885
  136    HA   HIS  35           HA       HIS  35 -14.190  -1.036  -2.408
  137   1HB   HIS  35          HB2       HIS  35 -14.915  -1.993  -4.546
  138   2HB   HIS  35          HB1       HIS  35 -14.591  -0.272  -4.669
  139    HD1  HIS  35           HD1      HIS  35 -14.619  -1.332  -7.291
  140    HD2  HIS  35           HD2      HIS  35 -11.234  -1.845  -4.945
  141    HE1  HIS  35           HE1      HIS  35 -12.753  -1.821  -8.901
  142    HE2  HIS  35           HE2      HIS  35 -10.740  -2.242  -7.449
  143    H    ILE  36           HN       ILE  36 -11.003  -2.118  -3.067
  144    HA   ILE  36           HA       ILE  36 -11.723  -4.726  -1.968
  145    HB   ILE  36           HB       ILE  36 -10.331  -5.957  -3.563
  146   1HG1  ILE  36          HG12      ILE  36 -10.211  -3.356  -5.104
  147   2HG1  ILE  36          HG11      ILE  36  -8.858  -4.101  -4.261
  148   1HG2  ILE  36          HG21      ILE  36 -11.906  -6.036  -5.346
  149   2HG2  ILE  36          HG22      ILE  36 -12.443  -4.387  -5.023
  150   3HG2  ILE  36          HG23      ILE  36 -12.794  -5.672  -3.866
  151   1HD1  ILE  36          HD11      ILE  36  -9.795  -6.094  -5.935
  152   2HD1  ILE  36          HD12      ILE  36  -8.368  -5.086  -6.181
  153   3HD1  ILE  36          HD13      ILE  36  -9.912  -4.619  -6.895
  154    H    GLY  37           HN       GLY  37 -10.080  -5.785  -0.838
  155   1HA   GLY  37          HA2       GLY  37  -7.971  -4.005   0.094
  156   2HA   GLY  37          HA1       GLY  37  -8.444  -5.531   0.820
  157    H    PHE  38           HN       PHE  38  -6.796  -4.142  -1.999
  158    HA   PHE  38           HA       PHE  38  -5.127  -6.567  -2.108
  159   1HB   PHE  38          HB2       PHE  38  -6.081  -4.781  -4.340
  160   2HB   PHE  38          HB1       PHE  38  -4.746  -5.908  -4.538
  161    HD1  PHE  38           HD1      PHE  38  -8.188  -6.021  -3.077
  162    HD2  PHE  38           HD2      PHE  38  -5.297  -7.836  -5.614
  163    HE1  PHE  38           HE1      PHE  38  -9.781  -7.820  -3.597
  164    HE2  PHE  38           HE2      PHE  38  -6.885  -9.639  -6.142
  165    HZ   PHE  38           HZ       PHE  38  -9.131  -9.633  -5.132
  166    H    GLN  39           HN       GLN  39  -5.125  -3.040  -2.612
  167    HA   GLN  39           HA       GLN  39  -3.487  -1.476  -2.459
  168   1HB   GLN  39          HB2       GLN  39  -2.285  -3.573  -0.642
  169   2HB   GLN  39          HB1       GLN  39  -1.595  -1.973  -0.858
  170   1HG   GLN  39          HG2       GLN  39  -2.898  -2.027   1.156
  171   2HG   GLN  39          HG1       GLN  39  -3.680  -0.978  -0.024
  172   1HE2  GLN  39          HE21      GLN  39  -5.795  -1.185  -0.075
  173   2HE2  GLN  39          HE22      GLN  39  -6.690  -2.625   0.249
  174    H    GLU  40           HN       GLU  40  -3.388  -2.541  -4.796
  175    HA   GLU  40           HA       GLU  40  -0.553  -2.708  -5.429
  176   1HB   GLU  40          HB2       GLU  40  -0.885  -4.709  -6.855
  177   2HB   GLU  40          HB1       GLU  40  -1.138  -5.041  -5.148
  178   1HG   GLU  40          HG2       GLU  40  -3.573  -4.863  -5.511
  179   2HG   GLU  40          HG1       GLU  40  -3.273  -4.639  -7.232
  180    H    ALA  41           HN       ALA  41  -2.385  -0.624  -5.858
  181    HA   ALA  41           HA       ALA  41  -3.276  -0.757  -8.612
  182   1HB   ALA  41          HB1       ALA  41  -3.421   1.437  -6.554
  183   2HB   ALA  41          HB2       ALA  41  -4.720   0.358  -7.063
  184   3HB   ALA  41          HB3       ALA  41  -4.080   1.558  -8.185
  185    H    TYR  42           HN       TYR  42  -0.912   1.111  -6.728
  186    HA   TYR  42           HA       TYR  42   0.073   2.800  -8.658
  187   1HB   TYR  42          HB2       TYR  42   0.758   3.010  -6.369
  188   2HB   TYR  42          HB1       TYR  42   1.510   1.421  -6.391
  189    HD1  TYR  42           HD1      TYR  42   3.542   1.096  -7.918
  190    HD2  TYR  42           HD2      TYR  42   2.004   4.923  -6.878
  191    HE1  TYR  42           HE1      TYR  42   5.692   2.117  -8.523
  192    HE2  TYR  42           HE2      TYR  42   4.151   5.956  -7.481
  193    HH   TYR  42           HH       TYR  42   6.872   4.583  -7.638
  194    H    ARG  43           HN       ARG  43   1.096  -0.550  -8.039
  195    HA   ARG  43           HA       ARG  43   3.209  -0.657  -9.860
  196   1HB   ARG  43          HB2       ARG  43   2.979  -3.079  -9.761
  197   2HB   ARG  43          HB1       ARG  43   2.812  -2.371  -8.162
  198   1HG   ARG  43          HG2       ARG  43   0.363  -2.567  -8.361
  199   2HG   ARG  43          HG1       ARG  43   0.579  -3.360  -9.923
  200   1HD   ARG  43          HD2       ARG  43   0.246  -5.036  -8.229
  201   2HD   ARG  43          HD1       ARG  43   1.912  -5.115  -8.799
  202    HE   ARG  43           HE       ARG  43   1.848  -3.452  -6.557
  203   1HH1  ARG  43          HH11      ARG  43   1.324  -6.824  -7.335
  204   2HH1  ARG  43          HH12      ARG  43   1.826  -7.388  -5.777
  205   1HH2  ARG  43          HH21      ARG  43   2.505  -4.199  -4.507
  206   2HH2  ARG  43          HH22      ARG  43   2.495  -5.898  -4.170
  207    H    ARG  44           HN       ARG  44  -0.245  -1.008 -10.393
  208    HA   ARG  44           HA       ARG  44  -0.226  -2.213 -12.906
  209   1HB   ARG  44          HB2       ARG  44  -2.206  -0.198 -11.838
  210   2HB   ARG  44          HB1       ARG  44  -2.474  -1.272 -13.203
  211   1HG   ARG  44          HG2       ARG  44  -2.238  -3.206 -11.700
  212   2HG   ARG  44          HG1       ARG  44  -2.048  -2.099 -10.340
  213   1HD   ARG  44          HD2       ARG  44  -4.460  -2.311 -12.138
  214   2HD   ARG  44          HD1       ARG  44  -4.338  -2.929 -10.492
  215    HE   ARG  44           HE       ARG  44  -3.765  -0.182 -10.472
  216   1HH1  ARG  44          HH11      ARG  44  -6.478  -2.334 -10.991
  217   2HH1  ARG  44          HH12      ARG  44  -7.651  -1.180 -10.454
  218   1HH2  ARG  44          HH21      ARG  44  -5.312   1.328  -9.767
  219   2HH2  ARG  44          HH22      ARG  44  -6.990   0.901  -9.759
  220    H    PHE  45           HN       PHE  45   0.157   1.209 -12.060
  221    HA   PHE  45           HA       PHE  45   0.618   1.736 -14.915
  222   1HB   PHE  45          HB2       PHE  45  -0.078   4.086 -14.498
  223   2HB   PHE  45          HB1       PHE  45  -1.358   2.908 -14.265
  224    HD1  PHE  45           HD1      PHE  45  -1.485   2.043 -11.696
  225    HD2  PHE  45           HD2      PHE  45   0.022   5.800 -13.006
  226    HE1  PHE  45           HE1      PHE  45  -1.945   2.996  -9.480
  227    HE2  PHE  45           HE2      PHE  45  -0.436   6.758 -10.788
  228    HZ   PHE  45           HZ       PHE  45  -1.420   5.356  -9.024
  229    H    TYR  46           HN       TYR  46   2.469   1.068 -12.501
  230    HA   TYR  46           HA       TYR  46   4.520   2.985 -13.306
  231   1HB   TYR  46          HB2       TYR  46   3.597   2.534 -10.495
  232   2HB   TYR  46          HB1       TYR  46   5.298   2.862 -10.793
  233    HD1  TYR  46           HD1      TYR  46   1.913   4.241 -11.581
  234    HD2  TYR  46           HD2      TYR  46   6.025   5.050 -10.856
  235    HE1  TYR  46           HE1      TYR  46   1.449   6.654 -11.651
  236    HE2  TYR  46           HE2      TYR  46   5.569   7.463 -10.920
  237    HH   TYR  46           HH       TYR  46   3.281   8.868 -12.234
  238    H    GLY  47           HN       GLY  47   4.372   0.416 -10.824
  239   1HA   GLY  47          HA2       GLY  47   5.205  -1.829 -11.644
  240   2HA   GLY  47          HA1       GLY  47   6.572  -0.922 -12.267
  241    HA   PRO  48           HA       PRO  48   8.866  -1.094  -8.509
  242   1HB   PRO  48          HB2       PRO  48   8.974   1.486  -7.504
  243   2HB   PRO  48          HB1       PRO  48  10.025   0.842  -8.769
  244   1HG   PRO  48          HG2       PRO  48   7.559   2.511  -9.019
  245   2HG   PRO  48          HG1       PRO  48   9.074   2.600  -9.937
  246   1HD   PRO  48          HD2       PRO  48   6.882   1.468 -10.972
  247   2HD   PRO  48          HD1       PRO  48   8.499   0.810 -11.298
  248    H    VAL  49           HN       VAL  49   7.706  -2.289  -7.081
  249    HA   VAL  49           HA       VAL  49   6.344  -0.847  -4.950
  250    HB   VAL  49           HB       VAL  49   4.412  -2.397  -4.947
  251   1HG1  VAL  49          HG11      VAL  49   4.548  -1.012  -7.608
  252   2HG1  VAL  49          HG12      VAL  49   4.441  -0.121  -6.089
  253   3HG1  VAL  49          HG13      VAL  49   3.154  -1.235  -6.551
  254   1HG2  VAL  49          HG21      VAL  49   4.004  -3.518  -7.258
  255   2HG2  VAL  49          HG22      VAL  49   5.035  -4.319  -6.073
  256   3HG2  VAL  49          HG23      VAL  49   5.758  -3.427  -7.412
  Start of MODEL    3
    1    H    LEU  16           HN       LEU  16   8.011  -3.068   0.965
    2    HA   LEU  16           HA       LEU  16   7.138  -1.477  -1.285
    3   1HB   LEU  16          HB2       LEU  16   5.521  -2.749   0.046
    4   2HB   LEU  16          HB1       LEU  16   5.938  -1.805   1.464
    5    HG   LEU  16           HG       LEU  16   5.100   0.231   0.310
    6   1HD1  LEU  16          HD11      LEU  16   5.314  -0.264  -1.973
    7   2HD1  LEU  16          HD12      LEU  16   3.577  -0.228  -1.671
    8   3HD1  LEU  16          HD13      LEU  16   4.415  -1.773  -1.818
    9   1HD2  LEU  16          HD21      LEU  16   2.637  -0.631   0.274
   10   2HD2  LEU  16          HD22      LEU  16   3.546  -0.596   1.785
   11   3HD2  LEU  16          HD23      LEU  16   3.355  -2.113   0.907
   12   1HN   CGU  17          HN        CGU  17   7.785  -0.744   2.157
   13    HA   CGU  17           HA       CGU  17   8.682   1.078   3.183
   14   1HB   CGU  17          HB1       CGU  17   9.827   2.845   1.759
   15   2HB   CGU  17          HB2       CGU  17   9.415   1.864   0.352
   16    HG   CGU  17           HG2      CGU  17  10.617  -0.051   1.365
   17    HA   PRO  18           HA       PRO  18   5.263   3.873   3.235
   18   1HB   PRO  18          HB2       PRO  18   6.276   5.892   4.725
   19   2HB   PRO  18          HB1       PRO  18   5.861   4.319   5.415
   20   1HG   PRO  18          HG2       PRO  18   8.537   5.386   4.603
   21   2HG   PRO  18          HG1       PRO  18   8.093   4.459   6.048
   22   1HD   PRO  18          HD2       PRO  18   9.276   3.340   3.870
   23   2HD   PRO  18          HD1       PRO  18   8.171   2.450   4.935
   24    H    LYS  19           HN       LYS  19   4.870   4.670   1.222
   25    HA   LYS  19           HA       LYS  19   5.931   7.283   0.588
   26   1HB   LYS  19          HB2       LYS  19   6.498   6.452  -1.798
   27   2HB   LYS  19          HB1       LYS  19   7.657   6.175  -0.508
   28   1HG   LYS  19          HG2       LYS  19   7.394   4.228  -1.976
   29   2HG   LYS  19          HG1       LYS  19   6.953   3.875  -0.307
   30   1HD   LYS  19          HD2       LYS  19   4.579   4.149  -0.895
   31   2HD   LYS  19          HD1       LYS  19   5.041   4.462  -2.568
   32   1HE   LYS  19          HE2       LYS  19   5.577   1.921  -1.035
   33   2HE   LYS  19          HE1       LYS  19   4.308   2.147  -2.236
   34   1HZ   LYS  19          HZ1       LYS  19   5.891   1.257  -3.555
   35   2HZ   LYS  19          HZ2       LYS  19   7.179   1.806  -2.609
   36   3HZ   LYS  19          HZ3       LYS  19   6.399   2.866  -3.672
   37    H    ARG  20           HN       ARG  20   3.355   6.620   1.279
   38    HA   ARG  20           HA       ARG  20   1.811   6.389  -1.181
   39   1HB   ARG  20          HB2       ARG  20   0.975   6.522   1.716
   40   2HB   ARG  20          HB1       ARG  20  -0.157   6.421   0.375
   41   1HG   ARG  20          HG2       ARG  20   0.776   4.273  -0.274
   42   2HG   ARG  20          HG1       ARG  20   1.946   4.374   1.044
   43   1HD   ARG  20          HD2       ARG  20   0.088   4.435   2.658
   44   2HD   ARG  20          HD1       ARG  20  -1.057   4.283   1.327
   45    HE   ARG  20           HE       ARG  20  -0.689   2.044   1.371
   46   1HH1  ARG  20          HH11      ARG  20   2.120   3.590   2.790
   47   2HH1  ARG  20          HH12      ARG  20   2.908   2.094   3.153
   48   1HH2  ARG  20          HH21      ARG  20   0.349   0.082   1.871
   49   2HH2  ARG  20          HH22      ARG  20   1.898   0.103   2.643
   50   1HN   CGU  21          HN        CGU  21   3.389   8.771  -0.911
   51    HA   CGU  21           HA       CGU  21   1.897  10.984  -0.010
   52   1HB   CGU  21          HB1       CGU  21   4.095  10.753  -2.081
   53   2HB   CGU  21          HB2       CGU  21   3.402  12.298  -1.581
   54    HG   CGU  21           HG2      CGU  21   4.709  10.283   0.266
   55    H    VAL  22           HN       VAL  22   2.130   9.383  -3.152
   56    HA   VAL  22           HA       VAL  22   0.047  11.113  -4.262
   57    HB   VAL  22           HB       VAL  22   1.560   8.882  -5.632
   58   1HG1  VAL  22          HG11      VAL  22   0.807   9.931  -7.694
   59   2HG1  VAL  22          HG12      VAL  22  -0.049  11.165  -6.770
   60   3HG1  VAL  22          HG13      VAL  22  -0.569   9.482  -6.685
   61   1HG2  VAL  22          HG21      VAL  22   3.173  10.511  -4.955
   62   2HG2  VAL  22          HG22      VAL  22   2.148  11.836  -5.509
   63   3HG2  VAL  22          HG23      VAL  22   2.874  10.733  -6.679
   64    H    CYS  23           HN       CYS  23   0.680   7.745  -3.403
   65    HA   CYS  23           HA       CYS  23  -1.514   6.455  -4.438
   66   1HB   CYS  23          HB2       CYS  23   0.333   5.323  -3.270
   67   2HB   CYS  23          HB1       CYS  23  -0.243   5.965  -1.737
   68   1HN   CGU  24          HN        CGU  24  -1.331   8.271  -1.383
   69    HA   CGU  24           HA       CGU  24  -3.790   7.702  -0.285
   70   1HB   CGU  24          HB1       CGU  24  -3.463  10.445   0.186
   71   2HB   CGU  24          HB2       CGU  24  -1.823   9.830  -0.026
   72    HG   CGU  24           HG2      CGU  24  -2.511   9.705   2.328
   73    H    LEU  25           HN       LEU  25  -3.055  10.062  -2.829
   74    HA   LEU  25           HA       LEU  25  -5.622  11.214  -2.985
   75   1HB   LEU  25          HB2       LEU  25  -3.558  12.212  -3.927
   76   2HB   LEU  25          HB1       LEU  25  -3.539  10.968  -5.159
   77    HG   LEU  25           HG       LEU  25  -4.396  13.152  -5.961
   78   1HD1  LEU  25          HD11      LEU  25  -5.155  10.776  -6.763
   79   2HD1  LEU  25          HD12      LEU  25  -5.949  12.231  -7.367
   80   3HD1  LEU  25          HD13      LEU  25  -6.706  11.279  -6.090
   81   1HD2  LEU  25          HD21      LEU  25  -6.853  12.628  -4.318
   82   2HD2  LEU  25          HD22      LEU  25  -6.412  14.083  -5.213
   83   3HD2  LEU  25          HD23      LEU  25  -5.540  13.654  -3.741
   84    H    ASN  26           HN       ASN  26  -4.114   8.824  -5.194
   85    HA   ASN  26           HA       ASN  26  -6.658   8.239  -6.403
   86   1HB   ASN  26          HB2       ASN  26  -5.378   6.541  -7.707
   87   2HB   ASN  26          HB1       ASN  26  -4.717   8.167  -7.821
   88   1HD2  ASN  26          HD21      ASN  26  -3.930   5.008  -7.450
   89   2HD2  ASN  26          HD22      ASN  26  -2.389   5.182  -6.693
   90    HA   PRO  27           HA       PRO  27  -7.783   5.237  -3.275
   91   1HB   PRO  27          HB2       PRO  27 -10.080   4.416  -4.507
   92   2HB   PRO  27          HB1       PRO  27  -9.954   5.889  -3.540
   93   1HG   PRO  27          HG2       PRO  27  -9.845   5.559  -6.513
   94   2HG   PRO  27          HG1       PRO  27 -10.689   6.789  -5.552
   95   1HD   PRO  27          HD2       PRO  27  -8.342   7.293  -6.768
   96   2HD   PRO  27          HD1       PRO  27  -8.762   8.017  -5.202
   97    H    ASP  28           HN       ASP  28  -6.915   4.612  -6.533
   98    HA   ASP  28           HA       ASP  28  -7.548   1.963  -6.945
   99   1HB   ASP  28          HB2       ASP  28  -4.974   3.366  -7.697
  100   2HB   ASP  28          HB1       ASP  28  -5.532   1.843  -8.377
  101    H    CYS  29           HN       CYS  29  -4.761   3.269  -5.160
  102    HA   CYS  29           HA       CYS  29  -4.178   0.555  -4.185
  103   1HB   CYS  29          HB2       CYS  29  -1.943   1.495  -3.556
  104   2HB   CYS  29          HB1       CYS  29  -2.270   1.497  -5.284
  105    H    ASP  30           HN       ASP  30  -4.709   3.898  -3.133
  106    HA   ASP  30           HA       ASP  30  -4.265   3.447  -0.376
  107   1HB   ASP  30          HB2       ASP  30  -4.216   5.691  -1.311
  108   2HB   ASP  30          HB1       ASP  30  -5.911   5.571  -1.768
  109    H    GLU  31           HN       GLU  31  -7.272   3.573  -2.283
  110    HA   GLU  31           HA       GLU  31  -8.872   2.777  -0.018
  111   1HB   GLU  31          HB2       GLU  31  -9.668   4.355  -1.790
  112   2HB   GLU  31          HB1       GLU  31  -9.692   3.007  -2.914
  113   1HG   GLU  31          HG2       GLU  31 -11.359   1.878  -1.530
  114   2HG   GLU  31          HG1       GLU  31 -11.332   3.230  -0.400
  115    H    LEU  32           HN       LEU  32  -6.778   1.013  -1.748
  116    HA   LEU  32           HA       LEU  32  -8.200  -1.200  -2.698
  117   1HB   LEU  32          HB2       LEU  32  -5.788  -0.701  -3.128
  118   2HB   LEU  32          HB1       LEU  32  -5.433  -1.214  -1.490
  119    HG   LEU  32           HG       LEU  32  -6.234  -3.477  -2.020
  120   1HD1  LEU  32          HD11      LEU  32  -7.873  -2.993  -3.707
  121   2HD1  LEU  32          HD12      LEU  32  -6.648  -4.058  -4.396
  122   3HD1  LEU  32          HD13      LEU  32  -6.637  -2.337  -4.780
  123   1HD2  LEU  32          HD21      LEU  32  -3.881  -2.230  -2.947
  124   2HD2  LEU  32          HD22      LEU  32  -4.411  -3.335  -4.215
  125   3HD2  LEU  32          HD23      LEU  32  -4.137  -3.936  -2.581
  126    H    ALA  33           HN       ALA  33  -7.377  -0.241   0.549
  127    HA   ALA  33           HA       ALA  33  -7.534  -2.682   1.897
  128   1HB   ALA  33          HB1       ALA  33  -8.349   0.042   2.891
  129   2HB   ALA  33          HB2       ALA  33  -6.721  -0.634   2.940
  130   3HB   ALA  33          HB3       ALA  33  -8.010  -1.368   3.894
  131    H    ASP  34           HN       ASP  34 -10.019  -0.882   0.355
  132    HA   ASP  34           HA       ASP  34 -12.300  -1.356   1.768
  133   1HB   ASP  34          HB2       ASP  34 -12.105  -0.121  -0.405
  134   2HB   ASP  34          HB1       ASP  34 -12.052  -1.671  -1.231
  135    H    HIS  35           HN       HIS  35 -10.699  -3.667  -0.450
  136    HA   HIS  35           HA       HIS  35 -12.353  -5.767   0.780
  137   1HB   HIS  35          HB2       HIS  35 -12.398  -6.974  -1.348
  138   2HB   HIS  35          HB1       HIS  35 -13.141  -5.388  -1.479
  139    HD1  HIS  35           HD1      HIS  35 -12.499  -6.404  -4.084
  140    HD2  HIS  35           HD2      HIS  35  -9.552  -4.587  -1.792
  141    HE1  HIS  35           HE1      HIS  35 -10.725  -5.689  -5.713
  142    HE2  HIS  35           HE2      HIS  35  -8.892  -4.721  -4.285
  143    H    ILE  36           HN       ILE  36  -9.114  -4.799   0.044
  144    HA   ILE  36           HA       ILE  36  -8.211  -7.362   1.122
  145    HB   ILE  36           HB       ILE  36  -6.386  -7.566  -0.507
  146   1HG1  ILE  36          HG12      ILE  36  -7.787  -5.291  -1.929
  147   2HG1  ILE  36          HG11      ILE  36  -6.166  -5.261  -1.247
  148   1HG2  ILE  36          HG21      ILE  36  -9.043  -7.476  -1.913
  149   2HG2  ILE  36          HG22      ILE  36  -8.592  -8.725  -0.752
  150   3HG2  ILE  36          HG23      ILE  36  -7.675  -8.538  -2.247
  151   1HD1  ILE  36          HD11      ILE  36  -5.955  -7.347  -2.945
  152   2HD1  ILE  36          HD12      ILE  36  -5.543  -5.681  -3.348
  153   3HD1  ILE  36          HD13      ILE  36  -7.119  -6.333  -3.797
  154    H    GLY  37           HN       GLY  37  -6.972  -4.175   0.014
  155   1HA   GLY  37          HA2       GLY  37  -5.665  -2.652   1.149
  156   2HA   GLY  37          HA1       GLY  37  -5.856  -3.632   2.593
  157    H    PHE  38           HN       PHE  38  -4.272  -3.963  -0.594
  158    HA   PHE  38           HA       PHE  38  -1.827  -4.793   0.820
  159   1HB   PHE  38          HB2       PHE  38  -2.995  -5.951  -1.714
  160   2HB   PHE  38          HB1       PHE  38  -1.348  -6.256  -1.184
  161    HD1  PHE  38           HD1      PHE  38  -4.814  -6.412   0.195
  162    HD2  PHE  38           HD2      PHE  38  -0.963  -8.195  -0.051
  163    HE1  PHE  38           HE1      PHE  38  -5.609  -8.301   1.553
  164    HE2  PHE  38           HE2      PHE  38  -1.747 -10.090   1.308
  165    HZ   PHE  38           HZ       PHE  38  -4.075 -10.145   2.112
  166    H    GLN  39           HN       GLN  39   0.061  -4.806  -0.914
  167    HA   GLN  39           HA       GLN  39   0.025  -2.151  -2.172
  168   1HB   GLN  39          HB2       GLN  39   2.564  -2.414  -2.109
  169   2HB   GLN  39          HB1       GLN  39   1.742  -2.147  -0.583
  170   1HG   GLN  39          HG2       GLN  39   3.384  -3.783  -0.187
  171   2HG   GLN  39          HG1       GLN  39   1.839  -4.624  -0.205
  172   1HE2  GLN  39          HE21      GLN  39   4.967  -4.645  -1.315
  173   2HE2  GLN  39          HE22      GLN  39   4.792  -5.780  -2.605
  174    H    GLU  40           HN       GLU  40  -0.762  -4.991  -3.175
  175    HA   GLU  40           HA       GLU  40   1.015  -5.553  -5.328
  176   1HB   GLU  40          HB2       GLU  40  -0.737  -7.114  -6.077
  177   2HB   GLU  40          HB1       GLU  40  -0.367  -7.310  -4.370
  178   1HG   GLU  40          HG2       GLU  40  -2.366  -5.981  -3.811
  179   2HG   GLU  40          HG1       GLU  40  -2.748  -5.876  -5.528
  180    H    ALA  41           HN       ALA  41  -1.792  -3.509  -4.931
  181    HA   ALA  41           HA       ALA  41  -2.253  -3.145  -7.744
  182   1HB   ALA  41          HB1       ALA  41  -4.098  -2.933  -6.187
  183   2HB   ALA  41          HB2       ALA  41  -3.838  -1.403  -7.025
  184   3HB   ALA  41          HB3       ALA  41  -3.282  -1.604  -5.363
  185    H    TYR  42           HN       TYR  42  -0.941  -1.089  -5.142
  186    HA   TYR  42           HA       TYR  42  -0.337   1.207  -6.458
  187   1HB   TYR  42          HB2       TYR  42   0.079   0.917  -4.085
  188   2HB   TYR  42          HB1       TYR  42   1.368  -0.232  -4.416
  189    HD1  TYR  42           HD1      TYR  42   3.362   0.710  -5.858
  190    HD2  TYR  42           HD2      TYR  42   0.618   3.132  -3.690
  191    HE1  TYR  42           HE1      TYR  42   4.997   2.543  -5.850
  192    HE2  TYR  42           HE2      TYR  42   2.245   4.975  -3.678
  193    HH   TYR  42           HH       TYR  42   4.210   5.715  -5.020
  194    H    ARG  43           HN       ARG  43   1.779  -1.666  -6.369
  195    HA   ARG  43           HA       ARG  43   3.863  -0.638  -7.907
  196   1HB   ARG  43          HB2       ARG  43   4.487  -2.984  -8.332
  197   2HB   ARG  43          HB1       ARG  43   4.111  -2.684  -6.642
  198   1HG   ARG  43          HG2       ARG  43   1.883  -3.654  -6.982
  199   2HG   ARG  43          HG1       ARG  43   2.305  -3.998  -8.660
  200   1HD   ARG  43          HD2       ARG  43   4.136  -5.434  -7.897
  201   2HD   ARG  43          HD1       ARG  43   3.707  -5.090  -6.222
  202    HE   ARG  43           HE       ARG  43   1.452  -6.106  -7.553
  203   1HH1  ARG  43          HH11      ARG  43   4.584  -7.173  -6.407
  204   2HH1  ARG  43          HH12      ARG  43   4.076  -8.812  -6.177
  205   1HH2  ARG  43          HH21      ARG  43   0.790  -8.263  -7.247
  206   2HH2  ARG  43          HH22      ARG  43   1.922  -9.431  -6.654
  207    H    ARG  44           HN       ARG  44   0.793  -1.970  -8.931
  208    HA   ARG  44           HA       ARG  44   1.413  -2.501 -11.621
  209   1HB   ARG  44          HB2       ARG  44  -1.261  -1.639 -10.510
  210   2HB   ARG  44          HB1       ARG  44  -0.979  -2.509 -12.011
  211   1HG   ARG  44          HG2       ARG  44  -0.184  -4.436 -10.782
  212   2HG   ARG  44          HG1       ARG  44  -0.362  -3.563  -9.262
  213   1HD   ARG  44          HD2       ARG  44  -2.799  -3.322  -9.787
  214   2HD   ARG  44          HD1       ARG  44  -2.547  -4.406 -11.155
  215    HE   ARG  44           HE       ARG  44  -2.864  -5.153  -8.448
  216   1HH1  ARG  44          HH11      ARG  44  -1.090  -6.048 -11.336
  217   2HH1  ARG  44          HH12      ARG  44  -0.829  -7.677 -10.814
  218   1HH2  ARG  44          HH21      ARG  44  -2.516  -7.297  -7.773
  219   2HH2  ARG  44          HH22      ARG  44  -1.639  -8.387  -8.794
  220    H    PHE  45           HN       PHE  45   0.170   0.454 -10.069
  221    HA   PHE  45           HA       PHE  45   0.533   1.846 -12.631
  222   1HB   PHE  45          HB2       PHE  45  -0.878   3.663 -11.291
  223   2HB   PHE  45          HB1       PHE  45  -1.633   2.350 -12.181
  224    HD1  PHE  45           HD1      PHE  45  -2.278   0.253 -10.869
  225    HD2  PHE  45           HD2      PHE  45  -1.296   3.957  -9.027
  226    HE1  PHE  45           HE1      PHE  45  -3.435  -0.464  -8.822
  227    HE2  PHE  45           HE2      PHE  45  -2.447   3.244  -6.973
  228    HZ   PHE  45           HZ       PHE  45  -3.522   1.033  -6.871
  229    H    TYR  46           HN       TYR  46   2.602   1.270 -10.472
  230    HA   TYR  46           HA       TYR  46   3.690   3.985 -10.437
  231   1HB   TYR  46          HB2       TYR  46   3.361   2.232  -8.011
  232   2HB   TYR  46          HB1       TYR  46   4.615   3.461  -8.089
  233    HD1  TYR  46           HD1      TYR  46   0.917   3.040  -8.409
  234    HD2  TYR  46           HD2      TYR  46   4.145   5.633  -7.436
  235    HE1  TYR  46           HE1      TYR  46  -0.681   4.730  -7.618
  236    HE2  TYR  46           HE2      TYR  46   2.553   7.329  -6.645
  237    HH   TYR  46           HH       TYR  46  -0.534   7.442  -7.389
  238    H    GLY  47           HN       GLY  47   4.535   0.727  -9.242
  239   1HA   GLY  47          HA2       GLY  47   6.391  -0.010 -11.112
  240   2HA   GLY  47          HA1       GLY  47   7.283   1.020 -10.002
  241    HA   PRO  48           HA       PRO  48   6.758  -3.687  -8.713
  242   1HB   PRO  48          HB2       PRO  48   9.717  -3.393  -9.037
  243   2HB   PRO  48          HB1       PRO  48   8.688  -4.802  -9.322
  244   1HG   PRO  48          HG2       PRO  48   9.582  -3.354 -11.363
  245   2HG   PRO  48          HG1       PRO  48   7.932  -4.003 -11.366
  246   1HD   PRO  48          HD2       PRO  48   8.872  -1.213 -10.915
  247   2HD   PRO  48          HD1       PRO  48   7.375  -1.794 -11.670
  248    H    VAL  49           HN       VAL  49   6.174  -3.189  -6.651
  249    HA   VAL  49           HA       VAL  49   8.340  -2.524  -4.785
  250    HB   VAL  49           HB       VAL  49   6.827  -1.044  -3.499
  251   1HG1  VAL  49          HG11      VAL  49   8.274   0.233  -4.725
  252   2HG1  VAL  49          HG12      VAL  49   6.737   0.787  -5.390
  253   3HG1  VAL  49          HG13      VAL  49   7.702  -0.398  -6.269
  254   1HG2  VAL  49          HG21      VAL  49   4.706  -2.006  -4.412
  255   2HG2  VAL  49          HG22      VAL  49   5.018  -1.131  -5.910
  256   3HG2  VAL  49          HG23      VAL  49   4.762  -0.243  -4.408
  Start of MODEL    4
    1    H    LEU  16           HN       LEU  16  -1.787   1.573   4.998
    2    HA   LEU  16           HA       LEU  16   0.920   1.860   6.100
    3   1HB   LEU  16          HB2       LEU  16   1.821   1.756   3.770
    4   2HB   LEU  16          HB1       LEU  16   1.215   0.238   4.397
    5    HG   LEU  16           HG       LEU  16  -0.854   0.531   3.079
    6   1HD1  LEU  16          HD11      LEU  16  -0.749   2.269   1.235
    7   2HD1  LEU  16          HD12      LEU  16   0.516   3.049   2.183
    8   3HD1  LEU  16          HD13      LEU  16  -1.101   2.859   2.860
    9   1HD2  LEU  16          HD21      LEU  16   0.055  -0.205   1.080
   10   2HD2  LEU  16          HD22      LEU  16   1.333  -0.559   2.242
   11   3HD2  LEU  16          HD23      LEU  16   1.453   0.861   1.205
   12   1HN   CGU  17          HN        CGU  17  -1.531   3.593   6.001
   13    HA   CGU  17           HA       CGU  17  -1.994   5.805   5.820
   14   1HB   CGU  17          HB1       CGU  17   0.153   7.206   4.928
   15   2HB   CGU  17          HB2       CGU  17   0.959   5.762   5.548
   16    HG   CGU  17           HG2      CGU  17  -1.003   7.478   7.091
   17    HA   PRO  18           HA       PRO  18  -3.106   5.207   1.435
   18   1HB   PRO  18          HB2       PRO  18  -5.120   7.221   2.294
   19   2HB   PRO  18          HB1       PRO  18  -5.345   5.704   1.416
   20   1HG   PRO  18          HG2       PRO  18  -6.018   5.899   3.984
   21   2HG   PRO  18          HG1       PRO  18  -5.270   4.422   3.348
   22   1HD   PRO  18          HD2       PRO  18  -4.055   6.616   4.976
   23   2HD   PRO  18          HD1       PRO  18  -3.778   4.864   5.056
   24    H    LYS  19           HN       LYS  19  -1.332   6.242   0.518
   25    HA   LYS  19           HA       LYS  19  -1.487   9.176   0.325
   26   1HB   LYS  19          HB2       LYS  19   0.573   8.275   1.376
   27   2HB   LYS  19          HB1       LYS  19   0.917   7.389  -0.103
   28   1HG   LYS  19          HG2       LYS  19   1.070   9.522  -1.321
   29   2HG   LYS  19          HG1       LYS  19   0.784  10.385   0.190
   30   1HD   LYS  19          HD2       LYS  19   3.094   8.518  -0.348
   31   2HD   LYS  19          HD1       LYS  19   3.175  10.280  -0.393
   32   1HE   LYS  19          HE2       LYS  19   2.537  10.364   1.972
   33   2HE   LYS  19          HE1       LYS  19   2.460   8.603   2.013
   34   1HZ   LYS  19          HZ1       LYS  19   4.550   9.425   2.904
   35   2HZ   LYS  19          HZ2       LYS  19   4.894  10.211   1.446
   36   3HZ   LYS  19          HZ3       LYS  19   4.818   8.522   1.498
   37    H    ARG  20           HN       ARG  20  -3.195   8.577  -1.337
   38    HA   ARG  20           HA       ARG  20  -2.129   7.667  -3.890
   39   1HB   ARG  20          HB2       ARG  20  -4.845   8.098  -2.764
   40   2HB   ARG  20          HB1       ARG  20  -4.661   8.275  -4.501
   41   1HG   ARG  20          HG2       ARG  20  -5.367   6.043  -4.008
   42   2HG   ARG  20          HG1       ARG  20  -3.709   6.003  -4.602
   43   1HD   ARG  20          HD2       ARG  20  -4.316   6.053  -1.664
   44   2HD   ARG  20          HD1       ARG  20  -4.328   4.545  -2.574
   45    HE   ARG  20           HE       ARG  20  -1.918   5.932  -3.051
   46   1HH1  ARG  20          HH11      ARG  20  -3.549   4.102  -0.554
   47   2HH1  ARG  20          HH12      ARG  20  -2.078   3.578   0.193
   48   1HH2  ARG  20          HH21      ARG  20   0.016   5.247  -2.057
   49   2HH2  ARG  20          HH22      ARG  20  -0.057   4.230  -0.658
   50   1HN   CGU  21          HN        CGU  21  -1.595  10.421  -2.528
   51    HA   CGU  21           HA       CGU  21  -2.750  12.438  -4.090
   52   1HB   CGU  21          HB1       CGU  21  -0.113  12.321  -2.610
   53   2HB   CGU  21          HB2       CGU  21  -0.704  13.782  -3.406
   54    HG   CGU  21           HG2      CGU  21  -2.174  12.241  -1.250
   55    H    VAL  22           HN       VAL  22   0.170  10.499  -4.580
   56    HA   VAL  22           HA       VAL  22   0.880  11.881  -7.017
   57    HB   VAL  22           HB       VAL  22   1.986   9.259  -6.000
   58   1HG1  VAL  22          HG11      VAL  22   3.222  11.323  -7.817
   59   2HG1  VAL  22          HG12      VAL  22   2.448   9.837  -8.365
   60   3HG1  VAL  22          HG13      VAL  22   3.901   9.758  -7.370
   61   1HG2  VAL  22          HG21      VAL  22   2.775  12.088  -5.338
   62   2HG2  VAL  22          HG22      VAL  22   3.853  10.711  -5.106
   63   3HG2  VAL  22          HG23      VAL  22   2.326  10.793  -4.228
   64    H    CYS  23           HN       CYS  23  -0.455   8.706  -6.131
   65    HA   CYS  23           HA       CYS  23  -0.607   7.575  -8.671
   66   1HB   CYS  23          HB2       CYS  23  -0.988   6.317  -6.595
   67   2HB   CYS  23          HB1       CYS  23  -2.505   7.174  -6.349
   68   1HN   CGU  24          HN        CGU  24  -2.650   9.993  -7.176
   69    HA   CGU  24           HA       CGU  24  -4.948   9.778  -8.740
   70   1HB   CGU  24          HB1       CGU  24  -4.898  12.432  -8.337
   71   2HB   CGU  24          HB2       CGU  24  -3.654  11.960  -7.175
   72    HG   CGU  24           HG2      CGU  24  -5.234  10.337  -6.175
   73    H    LEU  25           HN       LEU  25  -1.866  11.366  -9.422
   74    HA   LEU  25           HA       LEU  25  -2.713  12.624 -11.835
   75   1HB   LEU  25          HB2       LEU  25   0.025  11.958 -10.761
   76   2HB   LEU  25          HB1       LEU  25  -0.227  12.809 -12.272
   77    HG   LEU  25           HG       LEU  25   0.302  14.399 -10.546
   78   1HD1  LEU  25          HD11      LEU  25  -1.463  15.927 -10.838
   79   2HD1  LEU  25          HD12      LEU  25  -2.655  14.640 -11.013
   80   3HD1  LEU  25          HD13      LEU  25  -1.462  14.915 -12.282
   81   1HD2  LEU  25          HD21      LEU  25  -0.563  12.886  -8.686
   82   2HD2  LEU  25          HD22      LEU  25  -2.150  13.578  -9.022
   83   3HD2  LEU  25          HD23      LEU  25  -0.825  14.620  -8.504
   84    H    ASN  26           HN       ASN  26  -1.245   9.517 -11.053
   85    HA   ASN  26           HA       ASN  26  -1.520   8.733 -13.880
   86   1HB   ASN  26          HB2       ASN  26   0.229   7.002 -13.390
   87   2HB   ASN  26          HB1       ASN  26   0.809   8.659 -13.290
   88   1HD2  ASN  26          HD21      ASN  26   0.893   5.723 -11.823
   89   2HD2  ASN  26          HD22      ASN  26   1.323   6.214 -10.224
   90    HA   PRO  27           HA       PRO  27  -4.892   6.540 -11.573
   91   1HB   PRO  27          HB2       PRO  27  -5.660   6.232 -14.441
   92   2HB   PRO  27          HB1       PRO  27  -6.663   6.635 -13.043
   93   1HG   PRO  27          HG2       PRO  27  -5.940   8.525 -14.760
   94   2HG   PRO  27          HG1       PRO  27  -5.965   8.852 -13.016
   95   1HD   PRO  27          HD2       PRO  27  -3.639   8.355 -14.820
   96   2HD   PRO  27          HD1       PRO  27  -3.780   9.447 -13.428
   97    H    ASP  28           HN       ASP  28  -3.898   4.726 -10.869
   98    HA   ASP  28           HA       ASP  28  -3.856   2.439 -12.676
   99   1HB   ASP  28          HB2       ASP  28  -1.444   3.315 -11.071
  100   2HB   ASP  28          HB1       ASP  28  -1.599   1.742 -11.844
  101    H    CYS  29           HN       CYS  29  -3.061   3.498  -9.368
  102    HA   CYS  29           HA       CYS  29  -3.722   1.028  -8.138
  103   1HB   CYS  29          HB2       CYS  29  -3.500   2.204  -6.032
  104   2HB   CYS  29          HB1       CYS  29  -2.213   2.719  -7.114
  105    H    ASP  30           HN       ASP  30  -5.547   3.933  -8.900
  106    HA   ASP  30           HA       ASP  30  -7.802   3.498  -7.291
  107   1HB   ASP  30          HB2       ASP  30  -7.369   5.625  -8.440
  108   2HB   ASP  30          HB1       ASP  30  -7.634   4.847  -9.997
  109    H    GLU  31           HN       GLU  31  -6.907   2.202 -10.439
  110    HA   GLU  31           HA       GLU  31  -9.368   1.134 -11.219
  111   1HB   GLU  31          HB2       GLU  31  -7.450   1.300 -12.727
  112   2HB   GLU  31          HB1       GLU  31  -6.584   0.101 -11.780
  113   1HG   GLU  31          HG2       GLU  31  -7.448  -0.921 -13.769
  114   2HG   GLU  31          HG1       GLU  31  -8.296  -1.568 -12.368
  115    H    LEU  32           HN       LEU  32  -7.046   0.000  -8.863
  116    HA   LEU  32           HA       LEU  32  -7.780  -2.695  -8.695
  117   1HB   LEU  32          HB2       LEU  32  -5.809  -1.615  -7.586
  118   2HB   LEU  32          HB1       LEU  32  -6.911  -0.933  -6.405
  119    HG   LEU  32           HG       LEU  32  -7.584  -3.272  -5.793
  120   1HD1  LEU  32          HD11      LEU  32  -5.411  -3.890  -7.760
  121   2HD1  LEU  32          HD12      LEU  32  -7.024  -4.588  -7.626
  122   3HD1  LEU  32          HD13      LEU  32  -5.787  -4.993  -6.437
  123   1HD2  LEU  32          HD21      LEU  32  -4.673  -3.195  -5.340
  124   2HD2  LEU  32          HD22      LEU  32  -6.002  -3.329  -4.189
  125   3HD2  LEU  32          HD23      LEU  32  -5.570  -1.755  -4.857
  126    H    ALA  33           HN       ALA  33  -9.230   0.188  -7.261
  127    HA   ALA  33           HA       ALA  33 -10.963  -1.031  -5.434
  128   1HB   ALA  33          HB1       ALA  33 -12.202   1.034  -5.442
  129   2HB   ALA  33          HB2       ALA  33 -11.461   1.510  -6.970
  130   3HB   ALA  33          HB3       ALA  33 -10.476   1.386  -5.513
  131    H    ASP  34           HN       ASP  34 -11.079  -0.995  -8.866
  132    HA   ASP  34           HA       ASP  34 -13.767  -1.104  -9.458
  133   1HB   ASP  34          HB2       ASP  34 -11.853  -1.064 -11.083
  134   2HB   ASP  34          HB1       ASP  34 -11.621  -2.779 -10.774
  135    H    HIS  35           HN       HIS  35 -11.662  -3.789  -8.377
  136    HA   HIS  35           HA       HIS  35 -14.122  -5.353  -7.969
  137   1HB   HIS  35          HB2       HIS  35 -12.882  -7.405  -8.472
  138   2HB   HIS  35          HB1       HIS  35 -12.900  -6.293  -9.831
  139    HD1  HIS  35           HD1      HIS  35 -10.825  -8.210 -10.216
  140    HD2  HIS  35           HD2      HIS  35 -10.168  -4.967  -7.709
  141    HE1  HIS  35           HE1      HIS  35  -8.328  -7.971 -10.064
  142    HE2  HIS  35           HE2      HIS  35  -7.958  -6.084  -8.441
  143    H    ILE  36           HN       ILE  36 -11.296  -4.137  -6.391
  144    HA   ILE  36           HA       ILE  36 -12.115  -5.631  -4.014
  145    HB   ILE  36           HB       ILE  36  -9.801  -6.123  -3.356
  146   1HG1  ILE  36          HG12      ILE  36  -9.105  -5.169  -6.143
  147   2HG1  ILE  36          HG11      ILE  36  -8.594  -4.435  -4.628
  148   1HG2  ILE  36          HG21      ILE  36 -10.404  -7.314  -6.049
  149   2HG2  ILE  36          HG22      ILE  36 -11.274  -7.741  -4.576
  150   3HG2  ILE  36          HG23      ILE  36  -9.544  -8.058  -4.701
  151   1HD1  ILE  36          HD11      ILE  36  -6.751  -5.642  -4.815
  152   2HD1  ILE  36          HD12      ILE  36  -7.441  -6.635  -6.099
  153   3HD1  ILE  36          HD13      ILE  36  -7.737  -7.047  -4.410
  154    H    GLY  37           HN       GLY  37  -9.773  -3.118  -5.073
  155   1HA   GLY  37          HA2       GLY  37  -9.330  -1.045  -4.202
  156   2HA   GLY  37          HA1       GLY  37 -10.893  -1.133  -3.409
  157    H    PHE  38           HN       PHE  38  -7.562  -2.369  -3.112
  158    HA   PHE  38           HA       PHE  38  -7.820  -2.075  -0.189
  159   1HB   PHE  38          HB2       PHE  38  -6.384  -4.213  -1.762
  160   2HB   PHE  38          HB1       PHE  38  -6.065  -3.916  -0.059
  161    HD1  PHE  38           HD1      PHE  38  -9.042  -4.388  -2.270
  162    HD2  PHE  38           HD2      PHE  38  -7.115  -5.305   1.408
  163    HE1  PHE  38           HE1      PHE  38 -10.915  -5.859  -1.661
  164    HE2  PHE  38           HE2      PHE  38  -8.985  -6.781   2.026
  165    HZ   PHE  38           HZ       PHE  38 -10.889  -7.060   0.489
  166    H    GLN  39           HN       GLN  39  -6.687  -0.363  -2.513
  167    HA   GLN  39           HA       GLN  39  -4.854   0.882  -3.035
  168   1HB   GLN  39          HB2       GLN  39  -4.008   2.209  -1.171
  169   2HB   GLN  39          HB1       GLN  39  -5.756   2.063  -1.103
  170   1HG   GLN  39          HG2       GLN  39  -5.577   0.394   0.643
  171   2HG   GLN  39          HG1       GLN  39  -3.818   0.450   0.540
  172   1HE2  GLN  39          HE21      GLN  39  -2.874   1.643   2.028
  173   2HE2  GLN  39          HE22      GLN  39  -3.564   3.005   2.835
  174    H    GLU  40           HN       GLU  40  -4.243  -1.898  -2.946
  175    HA   GLU  40           HA       GLU  40  -1.532  -1.985  -1.835
  176   1HB   GLU  40          HB2       GLU  40  -1.649  -4.415  -2.274
  177   2HB   GLU  40          HB1       GLU  40  -2.940  -3.860  -1.219
  178   1HG   GLU  40          HG2       GLU  40  -4.488  -3.876  -3.118
  179   2HG   GLU  40          HG1       GLU  40  -3.192  -4.460  -4.160
  180    H    ALA  41           HN       ALA  41  -3.284  -1.843  -4.828
  181    HA   ALA  41           HA       ALA  41  -1.355  -2.826  -6.604
  182   1HB   ALA  41          HB1       ALA  41  -3.548  -0.796  -6.970
  183   2HB   ALA  41          HB2       ALA  41  -3.571  -2.507  -7.397
  184   3HB   ALA  41          HB3       ALA  41  -2.544  -1.388  -8.294
  185    H    TYR  42           HN       TYR  42  -1.775   0.334  -5.115
  186    HA   TYR  42           HA       TYR  42  -0.116   1.943  -6.605
  187   1HB   TYR  42          HB2       TYR  42  -1.480   2.717  -4.709
  188   2HB   TYR  42          HB1       TYR  42  -0.406   1.888  -3.592
  189    HD1  TYR  42           HD1      TYR  42   2.141   2.626  -3.781
  190    HD2  TYR  42           HD2      TYR  42  -1.168   4.967  -5.068
  191    HE1  TYR  42           HE1      TYR  42   3.513   4.656  -3.595
  192    HE2  TYR  42           HE2      TYR  42   0.194   7.004  -4.888
  193    HH   TYR  42           HH       TYR  42   2.601   7.628  -4.913
  194    H    ARG  43           HN       ARG  43   0.792  -0.342  -4.053
  195    HA   ARG  43           HA       ARG  43   3.547   0.273  -3.980
  196   1HB   ARG  43          HB2       ARG  43   2.181  -2.336  -3.298
  197   2HB   ARG  43          HB1       ARG  43   3.797  -1.857  -2.800
  198   1HG   ARG  43          HG2       ARG  43   2.856  -0.020  -1.498
  199   2HG   ARG  43          HG1       ARG  43   1.234  -0.492  -2.003
  200   1HD   ARG  43          HD2       ARG  43   1.647  -1.354   0.202
  201   2HD   ARG  43          HD1       ARG  43   1.591  -2.697  -0.936
  202    HE   ARG  43           HE       ARG  43   4.257  -1.918  -0.659
  203   1HH1  ARG  43          HH11      ARG  43   1.721  -3.334   1.297
  204   2HH1  ARG  43          HH12      ARG  43   2.821  -4.210   2.307
  205   1HH2  ARG  43          HH21      ARG  43   5.701  -3.075   0.675
  206   2HH2  ARG  43          HH22      ARG  43   5.080  -4.063   1.954
  207    H    ARG  44           HN       ARG  44   1.656  -1.842  -6.035
  208    HA   ARG  44           HA       ARG  44   3.636  -3.489  -7.080
  209   1HB   ARG  44          HB2       ARG  44   1.233  -2.380  -8.541
  210   2HB   ARG  44          HB1       ARG  44   2.156  -3.803  -9.000
  211   1HG   ARG  44          HG2       ARG  44   1.443  -4.974  -7.029
  212   2HG   ARG  44          HG1       ARG  44   0.645  -3.527  -6.411
  213   1HD   ARG  44          HD2       ARG  44  -0.841  -3.565  -8.399
  214   2HD   ARG  44          HD1       ARG  44  -0.096  -5.088  -8.882
  215    HE   ARG  44           HE       ARG  44  -0.999  -5.403  -6.271
  216   1HH1  ARG  44          HH11      ARG  44  -2.378  -4.819  -9.436
  217   2HH1  ARG  44          HH12      ARG  44  -3.873  -5.610  -9.065
  218   1HH2  ARG  44          HH21      ARG  44  -2.970  -6.440  -5.787
  219   2HH2  ARG  44          HH22      ARG  44  -4.210  -6.530  -6.993
  220    H    PHE  45           HN       PHE  45   2.764  -0.179  -7.998
  221    HA   PHE  45           HA       PHE  45   5.012  -0.215  -9.891
  222   1HB   PHE  45          HB2       PHE  45   3.864   1.750 -10.998
  223   2HB   PHE  45          HB1       PHE  45   3.080   0.189 -11.176
  224    HD1  PHE  45           HD1      PHE  45   1.213  -0.309  -9.368
  225    HD2  PHE  45           HD2      PHE  45   2.584   3.571 -10.448
  226    HE1  PHE  45           HE1      PHE  45  -0.893   0.660  -8.551
  227    HE2  PHE  45           HE2      PHE  45   0.478   4.542  -9.627
  228    HZ   PHE  45           HZ       PHE  45  -1.259   3.088  -8.679
  229    H    TYR  46           HN       TYR  46   5.024   0.381  -6.956
  230    HA   TYR  46           HA       TYR  46   6.549   2.865  -7.161
  231   1HB   TYR  46          HB2       TYR  46   4.235   2.411  -5.309
  232   2HB   TYR  46          HB1       TYR  46   5.579   3.420  -4.789
  233    HD1  TYR  46           HD1      TYR  46   3.172   3.040  -7.622
  234    HD2  TYR  46           HD2      TYR  46   5.563   5.677  -5.295
  235    HE1  TYR  46           HE1      TYR  46   2.197   4.963  -8.799
  236    HE2  TYR  46           HE2      TYR  46   4.590   7.605  -6.467
  237    HH   TYR  46           HH       TYR  46   1.899   7.639  -8.031
  238    H    GLY  47           HN       GLY  47   5.521   0.497  -4.682
  239   1HA   GLY  47          HA2       GLY  47   7.116  -1.171  -3.905
  240   2HA   GLY  47          HA1       GLY  47   8.376   0.037  -4.093
  241    HA   PRO  48           HA       PRO  48   8.001   0.808   0.253
  242   1HB   PRO  48          HB2       PRO  48   8.967   3.540  -0.289
  243   2HB   PRO  48          HB1       PRO  48   9.710   2.255   0.667
  244   1HG   PRO  48          HG2       PRO  48  10.709   2.997  -1.710
  245   2HG   PRO  48          HG1       PRO  48  10.751   1.310  -1.164
  246   1HD   PRO  48          HD2       PRO  48   8.887   2.629  -3.105
  247   2HD   PRO  48          HD1       PRO  48   9.661   1.032  -3.193
  248    H    VAL  49           HN       VAL  49   5.834   0.915   0.719
  249    HA   VAL  49           HA       VAL  49   4.640   3.597   0.694
  250    HB   VAL  49           HB       VAL  49   3.117   1.122  -0.138
  251   1HG1  VAL  49          HG11      VAL  49   2.192   3.931  -0.548
  252   2HG1  VAL  49          HG12      VAL  49   1.989   3.163   1.025
  253   3HG1  VAL  49          HG13      VAL  49   1.251   2.446  -0.407
  254   1HG2  VAL  49          HG21      VAL  49   4.031   3.405  -1.885
  255   2HG2  VAL  49          HG22      VAL  49   3.137   1.971  -2.390
  256   3HG2  VAL  49          HG23      VAL  49   4.799   1.819  -1.825
  Start of MODEL    5
    1    H    LEU  16           HN       LEU  16  -3.374  -0.924   6.635
    2    HA   LEU  16           HA       LEU  16  -3.175  -0.205   4.492
    3   1HB   LEU  16          HB2       LEU  16  -5.773  -0.293   4.643
    4   2HB   LEU  16          HB1       LEU  16  -5.662   1.453   4.728
    5    HG   LEU  16           HG       LEU  16  -4.693  -0.290   2.461
    6   1HD1  LEU  16          HD11      LEU  16  -6.951   1.699   2.626
    7   2HD1  LEU  16          HD12      LEU  16  -7.113  -0.056   2.553
    8   3HD1  LEU  16          HD13      LEU  16  -6.445   0.826   1.180
    9   1HD2  LEU  16          HD21      LEU  16  -4.559   2.701   2.815
   10   2HD2  LEU  16          HD22      LEU  16  -4.248   1.849   1.303
   11   3HD2  LEU  16          HD23      LEU  16  -3.198   1.585   2.694
   12   1HN   CGU  17          HN        CGU  17  -4.702   2.532   6.231
   13    HA   CGU  17           HA       CGU  17  -3.964   4.616   6.744
   14   1HB   CGU  17          HB1       CGU  17  -1.553   5.074   6.868
   15   2HB   CGU  17          HB2       CGU  17  -1.213   3.578   5.996
   16    HG   CGU  17           HG2      CGU  17  -2.288   2.292   7.814
   17    HA   PRO  18           HA       PRO  18  -4.080   6.826   2.932
   18   1HB   PRO  18          HB2       PRO  18  -3.085   9.249   3.666
   19   2HB   PRO  18          HB1       PRO  18  -4.695   8.687   4.132
   20   1HG   PRO  18          HG2       PRO  18  -2.152   8.669   5.713
   21   2HG   PRO  18          HG1       PRO  18  -3.788   9.117   6.230
   22   1HD   PRO  18          HD2       PRO  18  -2.699   6.707   6.791
   23   2HD   PRO  18          HD1       PRO  18  -4.438   6.921   6.506
   24    H    LYS  19           HN       LYS  19  -2.434   5.410   1.994
   25    HA   LYS  19           HA       LYS  19   0.223   6.661   1.791
   26   1HB   LYS  19          HB2       LYS  19  -0.572   3.804   1.205
   27   2HB   LYS  19          HB1       LYS  19   1.058   4.458   1.133
   28   1HG   LYS  19          HG2       LYS  19  -0.649   4.240   3.605
   29   2HG   LYS  19          HG1       LYS  19   0.701   3.189   3.176
   30   1HD   LYS  19          HD2       LYS  19   2.231   5.083   3.292
   31   2HD   LYS  19          HD1       LYS  19   0.886   6.161   3.670
   32   1HE   LYS  19          HE2       LYS  19   0.467   4.909   5.732
   33   2HE   LYS  19          HE1       LYS  19   1.812   3.835   5.354
   34   1HZ   LYS  19          HZ1       LYS  19   2.465   5.538   6.930
   35   2HZ   LYS  19          HZ2       LYS  19   2.017   6.757   5.847
   36   3HZ   LYS  19          HZ3       LYS  19   3.310   5.731   5.477
   37    H    ARG  20           HN       ARG  20  -2.639   6.039   0.030
   38    HA   ARG  20           HA       ARG  20  -1.384   5.937  -2.561
   39   1HB   ARG  20          HB2       ARG  20  -4.249   6.045  -1.654
   40   2HB   ARG  20          HB1       ARG  20  -3.812   6.184  -3.350
   41   1HG   ARG  20          HG2       ARG  20  -4.415   3.916  -2.882
   42   2HG   ARG  20          HG1       ARG  20  -2.684   3.991  -3.203
   43   1HD   ARG  20          HD2       ARG  20  -3.150   2.525  -1.317
   44   2HD   ARG  20          HD1       ARG  20  -2.234   3.937  -0.797
   45    HE   ARG  20           HE       ARG  20  -3.958   4.449   0.592
   46   1HH1  ARG  20          HH11      ARG  20  -5.236   2.404  -1.953
   47   2HH1  ARG  20          HH12      ARG  20  -6.837   2.386  -1.298
   48   1HH2  ARG  20          HH21      ARG  20  -6.068   4.414   1.446
   49   2HH2  ARG  20          HH22      ARG  20  -7.310   3.524   0.630
   50   1HN   CGU  21          HN        CGU  21  -1.641   8.451  -0.497
   51    HA   CGU  21           HA       CGU  21  -2.816  10.499  -1.988
   52   1HB   CGU  21          HB1       CGU  21  -0.993  11.971  -0.686
   53   2HB   CGU  21          HB2       CGU  21  -2.415  11.311   0.120
   54    HG   CGU  21           HG2      CGU  21  -1.066   9.364   0.861
   55    H    VAL  22           HN       VAL  22   0.251   8.917  -2.390
   56    HA   VAL  22           HA       VAL  22   1.251  10.935  -4.240
   57    HB   VAL  22           HB       VAL  22   2.407   8.215  -3.575
   58   1HG1  VAL  22          HG11      VAL  22   3.662  10.580  -4.966
   59   2HG1  VAL  22          HG12      VAL  22   3.122   9.095  -5.749
   60   3HG1  VAL  22          HG13      VAL  22   4.452   9.048  -4.593
   61   1HG2  VAL  22          HG21      VAL  22   2.697   9.270  -1.573
   62   2HG2  VAL  22          HG22      VAL  22   2.693  10.881  -2.293
   63   3HG2  VAL  22          HG23      VAL  22   4.127   9.862  -2.417
   64    H    CYS  23           HN       CYS  23  -0.015   7.637  -4.241
   65    HA   CYS  23           HA       CYS  23   0.296   6.998  -6.933
   66   1HB   CYS  23          HB2       CYS  23  -0.340   5.375  -5.204
   67   2HB   CYS  23          HB1       CYS  23  -1.909   6.154  -5.041
   68   1HN   CGU  24          HN        CGU  24  -2.059   9.057  -5.360
   69    HA   CGU  24           HA       CGU  24  -4.074   9.113  -7.291
   70   1HB   CGU  24          HB1       CGU  24  -4.467  11.496  -6.387
   71   2HB   CGU  24          HB2       CGU  24  -3.113  11.170  -5.301
   72    HG   CGU  24           HG2      CGU  24  -4.286   9.159  -4.467
   73    H    LEU  25           HN       LEU  25  -1.022  10.896  -7.115
   74    HA   LEU  25           HA       LEU  25  -1.499  12.651  -9.275
   75   1HB   LEU  25          HB2       LEU  25   1.058  11.603  -8.068
   76   2HB   LEU  25          HB1       LEU  25   1.039  12.768  -9.377
   77    HG   LEU  25           HG       LEU  25   1.386  13.922  -7.296
   78   1HD1  LEU  25          HD11      LEU  25  -1.474  14.437  -8.054
   79   2HD1  LEU  25          HD12      LEU  25  -0.116  14.897  -9.081
   80   3HD1  LEU  25          HD13      LEU  25  -0.270  15.583  -7.463
   81   1HD2  LEU  25          HD21      LEU  25  -1.269  12.931  -6.303
   82   2HD2  LEU  25          HD22      LEU  25  -0.008  13.784  -5.412
   83   3HD2  LEU  25          HD23      LEU  25   0.246  12.115  -5.920
   84    H    ASN  26           HN       ASN  26  -0.288   9.361  -9.098
   85    HA   ASN  26           HA       ASN  26  -0.159   9.276 -12.041
   86   1HB   ASN  26          HB2       ASN  26   1.351   7.288 -11.716
   87   2HB   ASN  26          HB1       ASN  26   2.025   8.813 -11.156
   88   1HD2  ASN  26          HD21      ASN  26   1.628   5.637 -10.398
   89   2HD2  ASN  26          HD22      ASN  26   1.822   5.726  -8.684
   90    HA   PRO  27           HA       PRO  27  -4.090   7.087 -10.841
   91   1HB   PRO  27          HB2       PRO  27  -4.197   7.383 -13.819
   92   2HB   PRO  27          HB1       PRO  27  -5.485   7.572 -12.622
   93   1HG   PRO  27          HG2       PRO  27  -4.315   9.709 -13.671
   94   2HG   PRO  27          HG1       PRO  27  -4.733   9.664 -11.948
   95   1HD   PRO  27          HD2       PRO  27  -2.073   9.421 -13.259
   96   2HD   PRO  27          HD1       PRO  27  -2.501  10.117 -11.685
   97    H    ASP  28           HN       ASP  28  -2.873   5.216 -10.274
   98    HA   ASP  28           HA       ASP  28  -2.747   3.201 -12.421
   99   1HB   ASP  28          HB2       ASP  28  -0.812   3.576 -10.121
  100   2HB   ASP  28          HB1       ASP  28  -0.835   2.163 -11.164
  101    H    CYS  29           HN       CYS  29  -2.646   3.535  -8.875
  102    HA   CYS  29           HA       CYS  29  -3.991   1.039  -8.436
  103   1HB   CYS  29          HB2       CYS  29  -3.900   1.625  -6.067
  104   2HB   CYS  29          HB1       CYS  29  -2.339   1.916  -6.821
  105    H    ASP  30           HN       ASP  30  -4.859   4.477  -8.246
  106    HA   ASP  30           HA       ASP  30  -7.539   4.052  -7.383
  107   1HB   ASP  30          HB2       ASP  30  -6.253   6.213  -7.165
  108   2HB   ASP  30          HB1       ASP  30  -6.443   6.436  -8.899
  109    H    GLU  31           HN       GLU  31  -5.949   4.398 -10.508
  110    HA   GLU  31           HA       GLU  31  -8.227   4.528 -12.147
  111   1HB   GLU  31          HB2       GLU  31  -5.954   5.085 -12.908
  112   2HB   GLU  31          HB1       GLU  31  -5.494   3.395 -12.768
  113   1HG   GLU  31          HG2       GLU  31  -7.102   2.808 -14.506
  114   2HG   GLU  31          HG1       GLU  31  -7.577   4.501 -14.639
  115    H    LEU  32           HN       LEU  32  -6.774   1.885 -10.442
  116    HA   LEU  32           HA       LEU  32  -7.562  -0.314 -11.959
  117   1HB   LEU  32          HB2       LEU  32  -6.067  -0.357  -9.966
  118   2HB   LEU  32          HB1       LEU  32  -7.473  -0.122  -8.947
  119    HG   LEU  32           HG       LEU  32  -8.388  -2.277  -9.741
  120   1HD1  LEU  32          HD11      LEU  32  -5.763  -2.438 -11.209
  121   2HD1  LEU  32          HD12      LEU  32  -7.383  -2.446 -11.906
  122   3HD1  LEU  32          HD13      LEU  32  -6.834  -3.812 -10.935
  123   1HD2  LEU  32          HD21      LEU  32  -6.201  -3.580  -8.793
  124   2HD2  LEU  32          HD22      LEU  32  -7.405  -2.779  -7.786
  125   3HD2  LEU  32          HD23      LEU  32  -5.910  -1.943  -8.204
  126    H    ALA  33           HN       ALA  33  -9.457   1.826  -9.963
  127    HA   ALA  33           HA       ALA  33 -11.678   0.191  -9.456
  128   1HB   ALA  33          HB1       ALA  33 -11.601   3.183  -9.780
  129   2HB   ALA  33          HB2       ALA  33 -11.276   2.297  -8.290
  130   3HB   ALA  33          HB3       ALA  33 -12.886   2.254  -9.008
  131    H    ASP  34           HN       ASP  34 -10.591   1.460 -12.416
  132    HA   ASP  34           HA       ASP  34 -12.891   2.078 -13.805
  133   1HB   ASP  34          HB2       ASP  34 -10.648   2.424 -14.709
  134   2HB   ASP  34          HB1       ASP  34 -10.412   0.684 -14.833
  135    H    HIS  35           HN       HIS  35 -11.586  -1.147 -13.071
  136    HA   HIS  35           HA       HIS  35 -14.070  -2.253 -14.190
  137   1HB   HIS  35          HB2       HIS  35 -12.848  -4.187 -15.064
  138   2HB   HIS  35          HB1       HIS  35 -12.302  -2.682 -15.790
  139    HD1  HIS  35           HD1      HIS  35 -10.320  -4.666 -16.246
  140    HD2  HIS  35           HD2      HIS  35 -10.502  -2.792 -12.545
  141    HE1  HIS  35           HE1      HIS  35  -8.057  -5.004 -15.208
  142    HE2  HIS  35           HE2      HIS  35  -8.242  -3.988 -12.913
  143    H    ILE  36           HN       ILE  36 -12.086  -2.133 -11.412
  144    HA   ILE  36           HA       ILE  36 -13.654  -4.340 -10.297
  145    HB   ILE  36           HB       ILE  36 -11.724  -5.236  -9.064
  146   1HG1  ILE  36          HG12      ILE  36 -10.096  -3.397 -10.834
  147   2HG1  ILE  36          HG11      ILE  36 -10.266  -3.265  -9.088
  148   1HG2  ILE  36          HG21      ILE  36 -12.528  -6.156 -11.245
  149   2HG2  ILE  36          HG22      ILE  36 -10.848  -6.527 -10.857
  150   3HG2  ILE  36          HG23      ILE  36 -11.225  -5.265 -12.030
  151   1HD1  ILE  36          HD11      ILE  36  -8.491  -4.922 -10.662
  152   2HD1  ILE  36          HD12      ILE  36  -9.374  -5.842  -9.443
  153   3HD1  ILE  36          HD13      ILE  36  -8.400  -4.452  -8.965
  154    H    GLY  37           HN       GLY  37 -11.349  -1.738  -9.401
  155   1HA   GLY  37          HA2       GLY  37 -11.655  -0.081  -7.797
  156   2HA   GLY  37          HA1       GLY  37 -13.206  -0.798  -7.393
  157    H    PHE  38           HN       PHE  38  -9.777  -1.787  -7.243
  158    HA   PHE  38           HA       PHE  38 -10.259  -2.655  -4.469
  159   1HB   PHE  38          HB2       PHE  38  -8.503  -3.866  -6.598
  160   2HB   PHE  38          HB1       PHE  38  -8.306  -4.246  -4.892
  161    HD1  PHE  38           HD1      PHE  38 -11.158  -3.974  -7.294
  162    HD2  PHE  38           HD2      PHE  38  -9.218  -6.239  -4.262
  163    HE1  PHE  38           HE1      PHE  38 -12.894  -5.702  -7.483
  164    HE2  PHE  38           HE2      PHE  38 -10.952  -7.976  -4.445
  165    HZ   PHE  38           HZ       PHE  38 -12.794  -7.708  -6.058
  166    H    GLN  39           HN       GLN  39  -7.995  -1.074  -6.673
  167    HA   GLN  39           HA       GLN  39  -6.242   0.319  -6.330
  168   1HB   GLN  39          HB2       GLN  39  -7.689   0.630  -3.711
  169   2HB   GLN  39          HB1       GLN  39  -6.170   1.459  -4.009
  170   1HG   GLN  39          HG2       GLN  39  -8.066   2.906  -4.445
  171   2HG   GLN  39          HG1       GLN  39  -7.143   2.607  -5.914
  172   1HE2  GLN  39          HE21      GLN  39 -10.189   2.624  -4.518
  173   2HE2  GLN  39          HE22      GLN  39 -11.051   1.796  -5.765
  174    H    GLU  40           HN       GLU  40  -6.028  -2.551  -5.763
  175    HA   GLU  40           HA       GLU  40  -4.099  -2.757  -3.604
  176   1HB   GLU  40          HB2       GLU  40  -4.071  -5.156  -4.160
  177   2HB   GLU  40          HB1       GLU  40  -5.703  -4.564  -3.886
  178   1HG   GLU  40          HG2       GLU  40  -6.056  -4.443  -6.310
  179   2HG   GLU  40          HG1       GLU  40  -4.428  -5.067  -6.569
  180    H    ALA  41           HN       ALA  41  -4.109  -2.269  -7.014
  181    HA   ALA  41           HA       ALA  41  -1.708  -3.403  -7.821
  182   1HB   ALA  41          HB1       ALA  41  -2.788  -0.779  -8.826
  183   2HB   ALA  41          HB2       ALA  41  -3.446  -2.349  -9.287
  184   3HB   ALA  41          HB3       ALA  41  -1.780  -1.936  -9.694
  185    H    TYR  42           HN       TYR  42  -2.279  -0.507  -5.943
  186    HA   TYR  42           HA       TYR  42  -0.051   1.015  -6.241
  187   1HB   TYR  42          HB2       TYR  42  -1.854   1.586  -4.707
  188   2HB   TYR  42          HB1       TYR  42  -1.405   0.260  -3.644
  189    HD1  TYR  42           HD1      TYR  42   1.021   0.365  -2.666
  190    HD2  TYR  42           HD2      TYR  42  -1.041   3.712  -4.286
  191    HE1  TYR  42           HE1      TYR  42   2.496   1.874  -1.407
  192    HE2  TYR  42           HE2      TYR  42   0.429   5.232  -3.034
  193    HH   TYR  42           HH       TYR  42   1.891   4.873  -0.700
  194    H    ARG  43           HN       ARG  43  -0.269  -1.937  -4.277
  195    HA   ARG  43           HA       ARG  43   2.278  -1.929  -3.148
  196   1HB   ARG  43          HB2       ARG  43   0.637  -4.309  -4.033
  197   2HB   ARG  43          HB1       ARG  43   1.996  -4.369  -2.921
  198   1HG   ARG  43          HG2       ARG  43   0.790  -3.062  -1.300
  199   2HG   ARG  43          HG1       ARG  43  -0.546  -2.832  -2.430
  200   1HD   ARG  43          HD2       ARG  43   0.379  -5.477  -1.312
  201   2HD   ARG  43          HD1       ARG  43  -1.031  -4.571  -0.764
  202    HE   ARG  43           HE       ARG  43  -1.281  -4.997  -3.517
  203   1HH1  ARG  43          HH11      ARG  43  -1.289  -6.850  -0.547
  204   2HH1  ARG  43          HH12      ARG  43  -2.315  -8.092  -1.181
  205   1HH2  ARG  43          HH21      ARG  43  -2.629  -6.636  -4.348
  206   2HH2  ARG  43          HH22      ARG  43  -3.077  -7.971  -3.340
  207    H    ARG  44           HN       ARG  44   1.207  -3.080  -6.300
  208    HA   ARG  44           HA       ARG  44   3.473  -4.465  -7.122
  209   1HB   ARG  44          HB2       ARG  44   1.614  -2.839  -8.863
  210   2HB   ARG  44          HB1       ARG  44   2.662  -4.146  -9.395
  211   1HG   ARG  44          HG2       ARG  44   1.384  -5.746  -8.117
  212   2HG   ARG  44          HG1       ARG  44   0.382  -4.456  -7.452
  213   1HD   ARG  44          HD2       ARG  44  -0.367  -3.907  -9.742
  214   2HD   ARG  44          HD1       ARG  44   0.568  -5.271 -10.350
  215    HE   ARG  44           HE       ARG  44  -2.008  -5.372  -9.180
  216   1HH1  ARG  44          HH11      ARG  44   0.986  -7.185  -9.382
  217   2HH1  ARG  44          HH12      ARG  44   0.231  -8.701  -9.025
  218   1HH2  ARG  44          HH21      ARG  44  -2.990  -7.373  -8.715
  219   2HH2  ARG  44          HH22      ARG  44  -2.024  -8.809  -8.650
  220    H    PHE  45           HN       PHE  45   2.756  -0.986  -7.425
  221    HA   PHE  45           HA       PHE  45   5.479  -0.620  -8.456
  222   1HB   PHE  45          HB2       PHE  45   4.635   1.660  -9.204
  223   2HB   PHE  45          HB1       PHE  45   4.023   0.257 -10.063
  224    HD1  PHE  45           HD1      PHE  45   1.719  -0.663  -9.212
  225    HD2  PHE  45           HD2      PHE  45   3.170   3.266  -8.472
  226    HE1  PHE  45           HE1      PHE  45  -0.580   0.109  -8.817
  227    HE2  PHE  45           HE2      PHE  45   0.870   4.041  -8.068
  228    HZ   PHE  45           HZ       PHE  45  -1.006   2.461  -8.242
  229    H    TYR  46           HN       TYR  46   4.461  -0.763  -5.552
  230    HA   TYR  46           HA       TYR  46   6.120   1.455  -4.638
  231   1HB   TYR  46          HB2       TYR  46   3.267   1.023  -3.809
  232   2HB   TYR  46          HB1       TYR  46   4.417   1.726  -2.681
  233    HD1  TYR  46           HD1      TYR  46   3.024   2.197  -6.110
  234    HD2  TYR  46           HD2      TYR  46   4.824   4.009  -2.710
  235    HE1  TYR  46           HE1      TYR  46   2.648   4.419  -7.095
  236    HE2  TYR  46           HE2      TYR  46   4.449   6.233  -3.687
  237    HH   TYR  46           HH       TYR  46   2.397   6.957  -5.876
  238    H    GLY  47           HN       GLY  47   4.005  -0.944  -3.044
  239   1HA   GLY  47          HA2       GLY  47   5.107  -3.031  -2.250
  240   2HA   GLY  47          HA1       GLY  47   6.416  -1.998  -1.699
  241    HA   PRO  48           HA       PRO  48   4.499  -1.518   2.237
  242   1HB   PRO  48          HB2       PRO  48   4.730   1.133   2.803
  243   2HB   PRO  48          HB1       PRO  48   6.098   0.015   2.827
  244   1HG   PRO  48          HG2       PRO  48   5.252   1.930   0.688
  245   2HG   PRO  48          HG1       PRO  48   6.881   1.578   1.296
  246   1HD   PRO  48          HD2       PRO  48   5.933   0.529  -1.009
  247   2HD   PRO  48          HD1       PRO  48   7.072  -0.343   0.036
  248    H    VAL  49           HN       VAL  49   2.373  -1.855   2.411
  249    HA   VAL  49           HA       VAL  49   0.552   0.390   1.985
  250    HB   VAL  49           HB       VAL  49   0.050  -2.343   0.787
  251   1HG1  VAL  49          HG11      VAL  49  -2.040  -1.523   1.498
  252   2HG1  VAL  49          HG12      VAL  49  -1.946  -1.126  -0.218
  253   3HG1  VAL  49          HG13      VAL  49  -1.658   0.123   0.993
  254   1HG2  VAL  49          HG21      VAL  49   0.779   0.303  -0.434
  255   2HG2  VAL  49          HG22      VAL  49  -0.012  -0.973  -1.359
  256   3HG2  VAL  49          HG23      VAL  49   1.573  -1.258  -0.638
  Start of MODEL    6
    1    H    LEU  16           HN       LEU  16   6.832   2.516   1.285
    2    HA   LEU  16           HA       LEU  16   5.604   2.680  -1.328
    3   1HB   LEU  16          HB2       LEU  16   4.548   3.357   1.418
    4   2HB   LEU  16          HB1       LEU  16   3.596   3.403  -0.053
    5    HG   LEU  16           HG       LEU  16   4.887   0.924   1.095
    6   1HD1  LEU  16          HD11      LEU  16   3.031   1.832   2.463
    7   2HD1  LEU  16          HD12      LEU  16   2.675   0.257   1.755
    8   3HD1  LEU  16          HD13      LEU  16   1.980   1.717   1.051
    9   1HD2  LEU  16          HD21      LEU  16   3.601  -0.277  -0.569
   10   2HD2  LEU  16          HD22      LEU  16   4.647   0.903  -1.358
   11   3HD2  LEU  16          HD23      LEU  16   2.925   1.235  -1.176
   12   1HN   CGU  17          HN        CGU  17   6.571   4.936   1.241
   13    HA   CGU  17           HA       CGU  17   7.016   7.164   1.228
   14   1HB   CGU  17          HB1       CGU  17   7.259   8.199  -1.198
   15   2HB   CGU  17          HB2       CGU  17   7.282   6.502  -1.682
   16    HG   CGU  17           HG2      CGU  17   9.106   7.754   0.387
   17    HA   PRO  18           HA       PRO  18   3.106   9.169   0.739
   18   1HB   PRO  18          HB2       PRO  18   3.761  11.758   0.962
   19   2HB   PRO  18          HB1       PRO  18   3.971  10.634   2.310
   20   1HG   PRO  18          HG2       PRO  18   6.006  11.719   0.413
   21   2HG   PRO  18          HG1       PRO  18   6.139  11.431   2.155
   22   1HD   PRO  18          HD2       PRO  18   7.101   9.736   0.186
   23   2HD   PRO  18          HD1       PRO  18   6.747   9.256   1.857
   24    H    LYS  19           HN       LYS  19   3.517   8.287  -1.684
   25    HA   LYS  19           HA       LYS  19   3.186  10.613  -3.466
   26   1HB   LYS  19          HB2       LYS  19   4.422   7.947  -4.185
   27   2HB   LYS  19          HB1       LYS  19   4.217   9.318  -5.266
   28   1HG   LYS  19          HG2       LYS  19   5.956   9.268  -2.808
   29   2HG   LYS  19          HG1       LYS  19   6.515   9.116  -4.474
   30   1HD   LYS  19          HD2       LYS  19   5.677  11.352  -4.971
   31   2HD   LYS  19          HD1       LYS  19   5.073  11.504  -3.321
   32   1HE   LYS  19          HE2       LYS  19   7.961  11.151  -4.117
   33   2HE   LYS  19          HE1       LYS  19   7.210  12.666  -3.620
   34   1HZ   LYS  19          HZ1       LYS  19   7.806  10.280  -1.987
   35   2HZ   LYS  19          HZ2       LYS  19   6.625  11.386  -1.495
   36   3HZ   LYS  19          HZ3       LYS  19   8.224  11.895  -1.701
   37    H    ARG  20           HN       ARG  20   1.076   9.240  -2.053
   38    HA   ARG  20           HA       ARG  20  -0.234   7.656  -4.128
   39   1HB   ARG  20          HB2       ARG  20  -0.838   8.116  -1.217
   40   2HB   ARG  20          HB1       ARG  20  -2.006   7.365  -2.294
   41   1HG   ARG  20          HG2       ARG  20  -0.804   5.659  -1.115
   42   2HG   ARG  20          HG1       ARG  20  -0.350   5.612  -2.818
   43   1HD   ARG  20          HD2       ARG  20   1.602   5.339  -1.385
   44   2HD   ARG  20          HD1       ARG  20   1.704   6.834  -2.310
   45    HE   ARG  20           HE       ARG  20   1.759   7.969  -0.340
   46   1HH1  ARG  20          HH11      ARG  20   0.339   4.829   0.290
   47   2HH1  ARG  20          HH12      ARG  20   0.183   5.107   1.990
   48   1HH2  ARG  20          HH21      ARG  20   1.555   8.324   1.899
   49   2HH2  ARG  20          HH22      ARG  20   0.875   7.089   2.905
   50   1HN   CGU  21          HN        CGU  21   0.125  10.688  -4.176
   51    HA   CGU  21           HA       CGU  21  -2.357  11.946  -3.807
   52   1HB   CGU  21          HB1       CGU  21  -0.057  12.578  -5.675
   53   2HB   CGU  21          HB2       CGU  21  -1.472  13.621  -5.501
   54    HG   CGU  21           HG2      CGU  21   0.379  12.784  -3.253
   55    H    VAL  22           HN       VAL  22  -0.943  10.295  -6.596
   56    HA   VAL  22           HA       VAL  22  -3.325  10.668  -8.211
   57    HB   VAL  22           HB       VAL  22  -0.903   8.951  -8.792
   58   1HG1  VAL  22          HG11      VAL  22  -3.020  10.069 -10.627
   59   2HG1  VAL  22          HG12      VAL  22  -2.878   8.387 -10.116
   60   3HG1  VAL  22          HG13      VAL  22  -1.621   9.113 -11.117
   61   1HG2  VAL  22          HG21      VAL  22  -0.202  10.872 -10.241
   62   2HG2  VAL  22          HG22      VAL  22  -0.117  11.185  -8.508
   63   3HG2  VAL  22          HG23      VAL  22  -1.452  11.838  -9.457
   64    H    CYS  23           HN       CYS  23  -1.710   8.130  -6.376
   65    HA   CYS  23           HA       CYS  23  -3.066   5.867  -7.148
   66   1HB   CYS  23          HB2       CYS  23  -1.182   5.880  -5.570
   67   2HB   CYS  23          HB1       CYS  23  -2.209   6.612  -4.343
   68   1HN   CGU  24          HN        CGU  24  -4.127   8.354  -4.855
   69    HA   CGU  24           HA       CGU  24  -6.419   7.056  -3.893
   70   1HB   CGU  24          HB1       CGU  24  -7.063   9.762  -3.861
   71   2HB   CGU  24          HB2       CGU  24  -5.298   9.748  -3.794
   72    HG   CGU  24           HG2      CGU  24  -7.142   8.181  -1.969
   73    H    LEU  25           HN       LEU  25  -5.889   8.953  -6.811
   74    HA   LEU  25           HA       LEU  25  -8.606   9.290  -7.522
   75   1HB   LEU  25          HB2       LEU  25  -6.737  10.621  -8.455
   76   2HB   LEU  25          HB1       LEU  25  -6.176   9.203  -9.315
   77    HG   LEU  25           HG       LEU  25  -7.407  10.818 -10.741
   78   1HD1  LEU  25          HD11      LEU  25  -9.103   8.378 -10.672
   79   2HD1  LEU  25          HD12      LEU  25  -7.374   8.197 -10.970
   80   3HD1  LEU  25          HD13      LEU  25  -8.353   9.199 -12.040
   81   1HD2  LEU  25          HD21      LEU  25  -9.700  11.242 -10.495
   82   2HD2  LEU  25          HD22      LEU  25  -9.029  11.419  -8.873
   83   3HD2  LEU  25          HD23      LEU  25  -9.900   9.949  -9.312
   84    H    ASN  26           HN       ASN  26  -6.163   6.984  -8.763
   85    HA   ASN  26           HA       ASN  26  -8.207   5.439 -10.095
   86   1HB   ASN  26          HB2       ASN  26  -6.318   3.951 -10.751
   87   2HB   ASN  26          HB1       ASN  26  -6.073   5.634 -11.203
   88   1HD2  ASN  26          HD21      ASN  26  -4.614   2.989  -9.911
   89   2HD2  ASN  26          HD22      ASN  26  -3.333   3.765  -9.050
   90    HA   PRO  27           HA       PRO  27  -8.899   3.011  -6.382
   91   1HB   PRO  27          HB2       PRO  27 -11.019   1.620  -7.312
   92   2HB   PRO  27          HB1       PRO  27 -11.141   3.308  -6.805
   93   1HG   PRO  27          HG2       PRO  27 -10.908   2.172  -9.563
   94   2HG   PRO  27          HG1       PRO  27 -11.948   3.482  -8.977
   95   1HD   PRO  27          HD2       PRO  27  -9.613   3.911 -10.312
   96   2HD   PRO  27          HD1       PRO  27 -10.273   5.042  -9.115
   97    H    ASP  28           HN       ASP  28  -6.854   1.896  -6.722
   98    HA   ASP  28           HA       ASP  28  -7.262  -0.900  -7.306
   99   1HB   ASP  28          HB2       ASP  28  -6.675   0.133  -9.535
  100   2HB   ASP  28          HB1       ASP  28  -5.115   0.574  -8.850
  101    H    CYS  29           HN       CYS  29  -4.475   1.332  -7.065
  102    HA   CYS  29           HA       CYS  29  -3.030  -0.393  -5.322
  103   1HB   CYS  29          HB2       CYS  29  -1.556   1.650  -5.002
  104   2HB   CYS  29          HB1       CYS  29  -1.736   1.086  -6.658
  105    H    ASP  30           HN       ASP  30  -4.977   2.530  -4.831
  106    HA   ASP  30           HA       ASP  30  -4.547   2.643  -2.013
  107   1HB   ASP  30          HB2       ASP  30  -6.449   4.256  -2.016
  108   2HB   ASP  30          HB1       ASP  30  -5.179   4.671  -3.154
  109    H    GLU  31           HN       GLU  31  -6.943   1.158  -4.104
  110    HA   GLU  31           HA       GLU  31  -8.811   0.424  -2.117
  111   1HB   GLU  31          HB2       GLU  31  -9.347   0.468  -4.512
  112   2HB   GLU  31          HB1       GLU  31  -8.225  -0.855  -4.794
  113   1HG   GLU  31          HG2       GLU  31  -9.603  -2.324  -3.416
  114   2HG   GLU  31          HG1       GLU  31 -10.724  -0.996  -3.121
  115    H    LEU  32           HN       LEU  32  -5.826  -1.018  -3.256
  116    HA   LEU  32           HA       LEU  32  -6.138  -3.611  -2.228
  117   1HB   LEU  32          HB2       LEU  32  -4.351  -2.879  -3.804
  118   2HB   LEU  32          HB1       LEU  32  -3.579  -2.027  -2.481
  119    HG   LEU  32           HG       LEU  32  -3.345  -4.225  -1.295
  120   1HD1  LEU  32          HD11      LEU  32  -4.820  -5.102  -3.664
  121   2HD1  LEU  32          HD12      LEU  32  -4.660  -5.855  -2.078
  122   3HD1  LEU  32          HD13      LEU  32  -3.400  -6.079  -3.291
  123   1HD2  LEU  32          HD21      LEU  32  -1.982  -4.431  -3.941
  124   2HD2  LEU  32          HD22      LEU  32  -1.341  -4.697  -2.320
  125   3HD2  LEU  32          HD23      LEU  32  -1.642  -3.056  -2.890
  126    H    ALA  33           HN       ALA  33  -5.223  -0.582  -0.703
  127    HA   ALA  33           HA       ALA  33  -4.395  -1.853   1.758
  128   1HB   ALA  33          HB1       ALA  33  -3.415   0.097   2.234
  129   2HB   ALA  33          HB2       ALA  33  -4.873   1.022   1.876
  130   3HB   ALA  33          HB3       ALA  33  -3.792   0.542   0.570
  131    H    ASP  34           HN       ASP  34  -6.950  -2.673   1.233
  132    HA   ASP  34           HA       ASP  34  -8.477  -1.333   3.355
  133   1HB   ASP  34          HB2       ASP  34  -9.526  -2.248   0.671
  134   2HB   ASP  34          HB1       ASP  34 -10.568  -1.863   2.036
  135    H    HIS  35           HN       HIS  35  -8.445  -4.241   1.284
  136    HA   HIS  35           HA       HIS  35  -9.558  -5.822   3.449
  137   1HB   HIS  35          HB2       HIS  35  -9.593  -7.672   1.804
  138   2HB   HIS  35          HB1       HIS  35 -10.452  -6.244   1.249
  139    HD1  HIS  35           HD1      HIS  35  -9.848  -7.975  -0.963
  140    HD2  HIS  35           HD2      HIS  35  -6.952  -5.371   0.479
  141    HE1  HIS  35           HE1      HIS  35  -8.212  -7.678  -2.846
  142    HE2  HIS  35           HE2      HIS  35  -6.568  -5.971  -2.002
  143    H    ILE  36           HN       ILE  36  -6.430  -5.042   2.296
  144    HA   ILE  36           HA       ILE  36  -5.319  -7.152   4.003
  145    HB   ILE  36           HB       ILE  36  -3.443  -7.512   2.461
  146   1HG1  ILE  36          HG12      ILE  36  -5.053  -5.878   0.485
  147   2HG1  ILE  36          HG11      ILE  36  -3.569  -5.340   1.262
  148   1HG2  ILE  36          HG21      ILE  36  -4.586  -8.961   0.957
  149   2HG2  ILE  36          HG22      ILE  36  -6.070  -8.018   1.084
  150   3HG2  ILE  36          HG23      ILE  36  -5.490  -8.940   2.471
  151   1HD1  ILE  36          HD11      ILE  36  -2.705  -6.075  -0.692
  152   2HD1  ILE  36          HD12      ILE  36  -3.970  -7.282  -0.928
  153   3HD1  ILE  36          HD13      ILE  36  -2.655  -7.592   0.206
  154    H    GLY  37           HN       GLY  37  -4.670  -4.050   2.356
  155   1HA   GLY  37          HA2       GLY  37  -3.675  -2.159   3.271
  156   2HA   GLY  37          HA1       GLY  37  -3.369  -3.066   4.742
  157    H    PHE  38           HN       PHE  38  -2.313  -3.071   1.324
  158    HA   PHE  38           HA       PHE  38   0.454  -3.324   2.293
  159   1HB   PHE  38          HB2       PHE  38  -0.854  -4.807   0.020
  160   2HB   PHE  38          HB1       PHE  38   0.892  -4.665   0.173
  161    HD1  PHE  38           HD1      PHE  38  -2.012  -5.572   2.345
  162    HD2  PHE  38           HD2      PHE  38   1.962  -6.445   1.111
  163    HE1  PHE  38           HE1      PHE  38  -1.986  -7.528   3.835
  164    HE2  PHE  38           HE2      PHE  38   1.999  -8.404   2.599
  165    HZ   PHE  38           HZ       PHE  38   0.022  -8.948   3.964
  166    H    GLN  39           HN       GLN  39  -1.527  -2.441  -0.540
  167    HA   GLN  39           HA       GLN  39  -1.334  -0.787  -2.081
  168   1HB   GLN  39          HB2       GLN  39   0.590   0.424  -0.085
  169   2HB   GLN  39          HB1       GLN  39  -0.041   1.248  -1.503
  170   1HG   GLN  39          HG2       GLN  39  -2.312   1.018  -0.608
  171   2HG   GLN  39          HG1       GLN  39  -1.652   0.237   0.828
  172   1HE2  GLN  39          HE21      GLN  39  -2.774   3.077  -0.339
  173   2HE2  GLN  39          HE22      GLN  39  -1.965   4.175   0.721
  174    H    GLU  40           HN       GLU  40   0.479  -3.144  -2.031
  175    HA   GLU  40           HA       GLU  40   2.998  -2.282  -3.097
  176   1HB   GLU  40          HB2       GLU  40   3.365  -4.685  -3.555
  177   2HB   GLU  40          HB1       GLU  40   2.882  -4.378  -1.893
  178   1HG   GLU  40          HG2       GLU  40   0.595  -5.064  -2.435
  179   2HG   GLU  40          HG1       GLU  40   1.091  -5.385  -4.096
  180    H    ALA  41           HN       ALA  41  -0.128  -3.064  -4.405
  181    HA   ALA  41           HA       ALA  41   0.498  -3.724  -7.030
  182   1HB   ALA  41          HB1       ALA  41  -1.735  -3.385  -7.526
  183   2HB   ALA  41          HB2       ALA  41  -1.884  -2.027  -6.410
  184   3HB   ALA  41          HB3       ALA  41  -1.779  -3.674  -5.787
  185    H    TYR  42           HN       TYR  42   0.307  -0.563  -5.483
  186    HA   TYR  42           HA       TYR  42   0.178   1.219  -7.516
  187   1HB   TYR  42          HB2       TYR  42   0.420   1.840  -5.153
  188   2HB   TYR  42          HB1       TYR  42   2.102   1.333  -5.183
  189    HD1  TYR  42           HD1      TYR  42   3.551   2.554  -7.076
  190    HD2  TYR  42           HD2      TYR  42  -0.030   4.086  -5.366
  191    HE1  TYR  42           HE1      TYR  42   4.227   4.828  -7.713
  192    HE2  TYR  42           HE2      TYR  42   0.636   6.366  -6.001
  193    HH   TYR  42           HH       TYR  42   2.178   7.406  -7.806
  194    H    ARG  43           HN       ARG  43   3.180  -0.412  -6.482
  195    HA   ARG  43           HA       ARG  43   4.932   0.752  -8.309
  196   1HB   ARG  43          HB2       ARG  43   5.014  -2.054  -7.190
  197   2HB   ARG  43          HB1       ARG  43   6.360  -1.227  -7.957
  198   1HG   ARG  43          HG2       ARG  43   6.298   0.470  -6.170
  199   2HG   ARG  43          HG1       ARG  43   5.005  -0.440  -5.386
  200   1HD   ARG  43          HD2       ARG  43   6.510  -2.387  -5.227
  201   2HD   ARG  43          HD1       ARG  43   7.800  -1.429  -5.951
  202    HE   ARG  43           HE       ARG  43   8.187  -0.522  -3.903
  203   1HH1  ARG  43          HH11      ARG  43   4.919  -1.787  -3.894
  204   2HH1  ARG  43          HH12      ARG  43   4.648  -1.405  -2.229
  205   1HH2  ARG  43          HH21      ARG  43   7.822  -0.030  -1.711
  206   2HH2  ARG  43          HH22      ARG  43   6.295  -0.409  -0.988
  207    H    ARG  44           HN       ARG  44   2.827  -2.051  -8.687
  208    HA   ARG  44           HA       ARG  44   3.785  -3.120 -11.049
  209   1HB   ARG  44          HB2       ARG  44   0.884  -2.952 -10.225
  210   2HB   ARG  44          HB1       ARG  44   1.584  -4.106 -11.348
  211   1HG   ARG  44          HG2       ARG  44   2.888  -5.098  -9.562
  212   2HG   ARG  44          HG1       ARG  44   2.268  -3.903  -8.422
  213   1HD   ARG  44          HD2       ARG  44  -0.026  -4.742  -8.877
  214   2HD   ARG  44          HD1       ARG  44   0.677  -6.007  -9.883
  215    HE   ARG  44           HE       ARG  44   0.474  -6.007  -7.061
  216   1HH1  ARG  44          HH11      ARG  44   2.605  -7.021  -9.653
  217   2HH1  ARG  44          HH12      ARG  44   3.368  -8.250  -8.704
  218   1HH2  ARG  44          HH21      ARG  44   1.482  -7.629  -5.824
  219   2HH2  ARG  44          HH22      ARG  44   2.730  -8.598  -6.533
  220    H    PHE  45           HN       PHE  45   1.449  -0.454 -10.654
  221    HA   PHE  45           HA       PHE  45   1.637  -0.008 -13.555
  222   1HB   PHE  45          HB2       PHE  45  -0.543   1.391 -13.065
  223   2HB   PHE  45          HB1       PHE  45  -0.606  -0.348 -13.306
  224    HD1  PHE  45           HD1      PHE  45  -0.573  -1.818 -11.196
  225    HD2  PHE  45           HD2      PHE  45  -1.447   2.343 -11.157
  226    HE1  PHE  45           HE1      PHE  45  -1.691  -2.077  -9.023
  227    HE2  PHE  45           HE2      PHE  45  -2.563   2.089  -8.979
  228    HZ   PHE  45           HZ       PHE  45  -2.689  -0.123  -7.913
  229    H    TYR  46           HN       TYR  46   3.427   1.050 -11.364
  230    HA   TYR  46           HA       TYR  46   3.390   3.817 -12.302
  231   1HB   TYR  46          HB2       TYR  46   3.355   2.997  -9.408
  232   2HB   TYR  46          HB1       TYR  46   4.085   4.513  -9.912
  233    HD1  TYR  46           HD1      TYR  46   0.873   2.615 -10.129
  234    HD2  TYR  46           HD2      TYR  46   2.782   6.416 -10.083
  235    HE1  TYR  46           HE1      TYR  46  -1.323   3.715 -10.036
  236    HE2  TYR  46           HE2      TYR  46   0.591   7.523  -9.991
  237    HH   TYR  46           HH       TYR  46  -2.021   6.353  -9.044
  238    H    GLY  47           HN       GLY  47   5.204   1.814  -9.966
  239   1HA   GLY  47          HA2       GLY  47   7.385   0.914 -10.639
  240   2HA   GLY  47          HA1       GLY  47   7.656   2.424 -11.495
  241    HA   PRO  48           HA       PRO  48   9.589   3.874  -7.781
  242   1HB   PRO  48          HB2       PRO  48   9.740   6.499  -8.284
  243   2HB   PRO  48          HB1       PRO  48  10.641   5.326  -9.252
  244   1HG   PRO  48          HG2       PRO  48   8.104   6.765  -9.896
  245   2HG   PRO  48          HG1       PRO  48   9.473   6.378 -10.952
  246   1HD   PRO  48          HD2       PRO  48   7.101   4.943 -10.817
  247   2HD   PRO  48          HD1       PRO  48   8.634   4.323 -11.458
  248    H    VAL  49           HN       VAL  49   7.613   3.228  -6.527
  249    HA   VAL  49           HA       VAL  49   5.622   5.198  -5.952
  250    HB   VAL  49           HB       VAL  49   5.129   2.797  -5.783
  251   1HG1  VAL  49          HG11      VAL  49   6.067   1.341  -4.269
  252   2HG1  VAL  49          HG12      VAL  49   6.602   2.631  -3.195
  253   3HG1  VAL  49          HG13      VAL  49   7.454   2.336  -4.709
  254   1HG2  VAL  49          HG21      VAL  49   4.685   3.519  -2.993
  255   2HG2  VAL  49          HG22      VAL  49   3.526   3.194  -4.280
  256   3HG2  VAL  49          HG23      VAL  49   4.246   4.796  -4.128
  Start of MODEL    7
    1    H    LEU  16           HN       LEU  16  -4.119   4.759   6.069
    2    HA   LEU  16           HA       LEU  16  -2.550   7.019   5.077
    3   1HB   LEU  16          HB2       LEU  16  -1.855   4.855   4.275
    4   2HB   LEU  16          HB1       LEU  16  -3.483   4.476   3.749
    5    HG   LEU  16           HG       LEU  16  -3.342   6.234   2.034
    6   1HD1  LEU  16          HD11      LEU  16  -1.903   7.893   2.425
    7   2HD1  LEU  16          HD12      LEU  16  -0.675   6.812   1.766
    8   3HD1  LEU  16          HD13      LEU  16  -0.921   6.908   3.509
    9   1HD2  LEU  16          HD21      LEU  16  -1.451   5.137   0.694
   10   2HD2  LEU  16          HD22      LEU  16  -2.794   4.121   1.216
   11   3HD2  LEU  16          HD23      LEU  16  -1.263   4.076   2.090
   12   1HN   CGU  17          HN        CGU  17  -3.430   8.701   4.081
   13    HA   CGU  17           HA       CGU  17  -6.264   8.977   3.857
   14   1HB   CGU  17          HB1       CGU  17  -5.489  11.135   2.560
   15   2HB   CGU  17          HB2       CGU  17  -3.890  10.687   3.159
   16    HG   CGU  17           HG2      CGU  17  -4.780  10.646   5.464
   17    HA   PRO  18           HA       PRO  18  -7.438   7.843  -0.254
   18   1HB   PRO  18          HB2       PRO  18  -7.436  10.725  -1.064
   19   2HB   PRO  18          HB1       PRO  18  -8.663   9.482  -1.339
   20   1HG   PRO  18          HG2       PRO  18  -8.997  11.297   0.572
   21   2HG   PRO  18          HG1       PRO  18  -9.466   9.607   0.837
   22   1HD   PRO  18          HD2       PRO  18  -7.129  11.114   1.895
   23   2HD   PRO  18          HD1       PRO  18  -8.052   9.794   2.638
   24    H    LYS  19           HN       LYS  19  -5.433   6.881  -0.739
   25    HA   LYS  19           HA       LYS  19  -3.232   8.319  -1.817
   26   1HB   LYS  19          HB2       LYS  19  -2.175   6.231  -2.131
   27   2HB   LYS  19          HB1       LYS  19  -3.130   6.061  -0.671
   28   1HG   LYS  19          HG2       LYS  19  -3.980   5.073  -3.388
   29   2HG   LYS  19          HG1       LYS  19  -3.192   4.083  -2.162
   30   1HD   LYS  19          HD2       LYS  19  -5.855   5.475  -1.867
   31   2HD   LYS  19          HD1       LYS  19  -5.615   3.755  -2.163
   32   1HE   LYS  19          HE2       LYS  19  -4.428   3.552  -0.032
   33   2HE   LYS  19          HE1       LYS  19  -4.662   5.273   0.265
   34   1HZ   LYS  19          HZ1       LYS  19  -6.317   4.084   1.459
   35   2HZ   LYS  19          HZ2       LYS  19  -6.762   3.185   0.098
   36   3HZ   LYS  19          HZ3       LYS  19  -7.093   4.843   0.161
   37    H    ARG  20           HN       ARG  20  -6.125   7.025  -3.208
   38    HA   ARG  20           HA       ARG  20  -5.344   6.584  -5.839
   39   1HB   ARG  20          HB2       ARG  20  -7.975   7.561  -4.734
   40   2HB   ARG  20          HB1       ARG  20  -7.738   7.063  -6.405
   41   1HG   ARG  20          HG2       ARG  20  -7.159   4.832  -5.708
   42   2HG   ARG  20          HG1       ARG  20  -7.244   5.308  -4.012
   43   1HD   ARG  20          HD2       ARG  20  -9.627   5.780  -4.258
   44   2HD   ARG  20          HD1       ARG  20  -9.546   5.335  -5.962
   45    HE   ARG  20           HE       ARG  20  -9.754   3.166  -5.323
   46   1HH1  ARG  20          HH11      ARG  20  -8.474   4.942  -2.582
   47   2HH1  ARG  20          HH12      ARG  20  -8.414   3.550  -1.557
   48   1HH2  ARG  20          HH21      ARG  20  -9.670   1.345  -3.963
   49   2HH2  ARG  20          HH22      ARG  20  -9.094   1.509  -2.339
   50   1HN   CGU  21          HN        CGU  21  -5.781   9.598  -4.143
   51    HA   CGU  21           HA       CGU  21  -6.234  11.370  -6.241
   52   1HB   CGU  21          HB1       CGU  21  -4.575  11.745  -3.727
   53   2HB   CGU  21          HB2       CGU  21  -5.033  13.060  -4.813
   54    HG   CGU  21           HG2      CGU  21  -6.961  11.228  -3.362
   55    H    VAL  22           HN       VAL  22  -3.223   9.951  -5.055
   56    HA   VAL  22           HA       VAL  22  -1.606  11.278  -7.060
   57    HB   VAL  22           HB       VAL  22  -0.839   9.070  -5.139
   58   1HG1  VAL  22          HG11      VAL  22   0.803  10.906  -6.870
   59   2HG1  VAL  22          HG12      VAL  22   0.723   9.145  -6.934
   60   3HG1  VAL  22          HG13      VAL  22   1.472   9.944  -5.552
   61   1HG2  VAL  22          HG21      VAL  22   0.184  10.891  -3.804
   62   2HG2  VAL  22          HG22      VAL  22  -1.575  10.993  -3.888
   63   3HG2  VAL  22          HG23      VAL  22  -0.582  12.064  -4.876
   64    H    CYS  23           HN       CYS  23  -2.941   8.068  -6.422
   65    HA   CYS  23           HA       CYS  23  -1.647   6.537  -8.319
   66   1HB   CYS  23          HB2       CYS  23  -4.564   6.342  -7.541
   67   2HB   CYS  23          HB1       CYS  23  -3.603   5.067  -8.282
   68   1HN   CGU  24          HN        CGU  24  -4.286   8.828  -8.782
   69    HA   CGU  24           HA       CGU  24  -5.122   8.129 -11.339
   70   1HB   CGU  24          HB1       CGU  24  -5.033  11.015 -11.031
   71   2HB   CGU  24          HB2       CGU  24  -5.608  10.242  -9.552
   72    HG   CGU  24           HG2      CGU  24  -7.483  10.732 -11.049
   73    H    LEU  25           HN       LEU  25  -2.284   9.937 -10.314
   74    HA   LEU  25           HA       LEU  25  -1.560  10.774 -12.964
   75   1HB   LEU  25          HB2       LEU  25  -0.042  10.776 -10.357
   76   2HB   LEU  25          HB1       LEU  25   0.622  11.388 -11.859
   77    HG   LEU  25           HG       LEU  25  -0.160  13.234 -10.534
   78   1HD1  LEU  25          HD11      LEU  25  -0.538  13.174 -13.045
   79   2HD1  LEU  25          HD12      LEU  25  -1.471  14.353 -12.123
   80   3HD1  LEU  25          HD13      LEU  25  -2.233  12.859 -12.672
   81   1HD2  LEU  25          HD21      LEU  25  -2.956  12.151 -10.616
   82   2HD2  LEU  25          HD22      LEU  25  -2.300  13.456  -9.626
   83   3HD2  LEU  25          HD23      LEU  25  -1.857  11.783  -9.287
   84    H    ASN  26           HN       ASN  26  -0.473   8.229 -10.726
   85    HA   ASN  26           HA       ASN  26   1.190   7.108 -12.868
   86   1HB   ASN  26          HB2       ASN  26   2.187   5.692 -11.085
   87   2HB   ASN  26          HB1       ASN  26   2.384   7.415 -10.790
   88   1HD2  ASN  26          HD21      ASN  26   1.573   4.533  -9.409
   89   2HD2  ASN  26          HD22      ASN  26   0.705   5.115  -8.034
   90    HA   PRO  27           HA       PRO  27  -2.353   4.422 -13.726
   91   1HB   PRO  27          HB2       PRO  27  -0.185   3.182 -15.363
   92   2HB   PRO  27          HB1       PRO  27  -1.849   3.576 -15.811
   93   1HG   PRO  27          HG2       PRO  27   0.146   5.121 -16.622
   94   2HG   PRO  27          HG1       PRO  27  -1.380   5.840 -16.075
   95   1HD   PRO  27          HD2       PRO  27   1.247   5.666 -14.669
   96   2HD   PRO  27          HD1       PRO  27   0.039   6.966 -14.653
   97    H    ASP  28           HN       ASP  28   0.841   3.470 -12.604
   98    HA   ASP  28           HA       ASP  28   0.571   0.740 -12.302
   99   1HB   ASP  28          HB2       ASP  28   1.923   2.664 -10.395
  100   2HB   ASP  28          HB1       ASP  28   2.189   0.925 -10.444
  101    H    CYS  29           HN       CYS  29  -0.408   3.273  -9.989
  102    HA   CYS  29           HA       CYS  29  -1.674   1.325  -8.258
  103   1HB   CYS  29          HB2       CYS  29  -0.529   3.215  -7.241
  104   2HB   CYS  29          HB1       CYS  29  -1.559   4.343  -8.113
  105    H    ASP  30           HN       ASP  30  -2.644   3.766 -10.614
  106    HA   ASP  30           HA       ASP  30  -5.377   3.889 -10.075
  107   1HB   ASP  30          HB2       ASP  30  -4.136   5.372 -11.659
  108   2HB   ASP  30          HB1       ASP  30  -4.075   4.038 -12.804
  109    H    GLU  31           HN       GLU  31  -3.549   1.614 -12.083
  110    HA   GLU  31           HA       GLU  31  -5.657   0.201 -13.223
  111   1HB   GLU  31          HB2       GLU  31  -3.312  -0.060 -13.904
  112   2HB   GLU  31          HB1       GLU  31  -2.951  -0.843 -12.372
  113   1HG   GLU  31          HG2       GLU  31  -4.472  -2.671 -12.952
  114   2HG   GLU  31          HG1       GLU  31  -4.818  -1.886 -14.492
  115    H    LEU  32           HN       LEU  32  -4.195  -0.093 -10.023
  116    HA   LEU  32           HA       LEU  32  -5.316  -2.535  -9.242
  117   1HB   LEU  32          HB2       LEU  32  -3.558  -1.335  -7.982
  118   2HB   LEU  32          HB1       LEU  32  -4.735  -0.123  -7.517
  119    HG   LEU  32           HG       LEU  32  -6.027  -1.952  -6.359
  120   1HD1  LEU  32          HD11      LEU  32  -5.157  -3.881  -7.482
  121   2HD1  LEU  32          HD12      LEU  32  -4.727  -3.982  -5.775
  122   3HD1  LEU  32          HD13      LEU  32  -3.516  -3.500  -6.962
  123   1HD2  LEU  32          HD21      LEU  32  -4.496  -2.028  -4.421
  124   2HD2  LEU  32          HD22      LEU  32  -4.675  -0.408  -5.094
  125   3HD2  LEU  32          HD23      LEU  32  -3.222  -1.347  -5.433
  126    H    ALA  33           HN       ALA  33  -6.492   0.752  -8.466
  127    HA   ALA  33           HA       ALA  33  -8.920   0.008  -7.320
  128   1HB   ALA  33          HB1       ALA  33  -9.634   2.313  -7.723
  129   2HB   ALA  33          HB2       ALA  33  -8.268   2.542  -8.814
  130   3HB   ALA  33          HB3       ALA  33  -7.985   2.240  -7.100
  131    H    ASP  34           HN       ASP  34  -8.024   0.153 -10.680
  132    HA   ASP  34           HA       ASP  34 -10.434   0.544 -11.958
  133   1HB   ASP  34          HB2       ASP  34  -8.199   0.316 -13.058
  134   2HB   ASP  34          HB1       ASP  34  -8.299  -1.422 -12.812
  135    H    HIS  35           HN       HIS  35  -9.058  -2.662 -11.107
  136    HA   HIS  35           HA       HIS  35 -11.761  -3.770 -11.370
  137   1HB   HIS  35          HB2       HIS  35 -10.690  -5.978 -11.537
  138   2HB   HIS  35          HB1       HIS  35 -10.129  -4.867 -12.775
  139    HD1  HIS  35           HD1      HIS  35  -8.317  -7.084 -12.510
  140    HD2  HIS  35           HD2      HIS  35  -8.068  -3.880  -9.885
  141    HE1  HIS  35           HE1      HIS  35  -5.988  -7.165 -11.567
  142    HE2  HIS  35           HE2      HIS  35  -5.894  -5.272  -9.910
  143    H    ILE  36           HN       ILE  36  -9.459  -2.983  -8.940
  144    HA   ILE  36           HA       ILE  36 -11.198  -4.223  -6.951
  145    HB   ILE  36           HB       ILE  36  -9.317  -5.141  -5.666
  146   1HG1  ILE  36          HG12      ILE  36  -7.677  -4.466  -8.119
  147   2HG1  ILE  36          HG11      ILE  36  -7.499  -3.751  -6.522
  148   1HG2  ILE  36          HG21      ILE  36 -10.659  -6.510  -7.261
  149   2HG2  ILE  36          HG22      ILE  36  -9.044  -7.140  -6.935
  150   3HG2  ILE  36          HG23      ILE  36  -9.371  -6.291  -8.447
  151   1HD1  ILE  36          HD11      ILE  36  -6.120  -5.361  -5.906
  152   2HD1  ILE  36          HD12      ILE  36  -6.176  -5.979  -7.557
  153   3HD1  ILE  36          HD13      ILE  36  -7.294  -6.602  -6.344
  154    H    GLY  37           HN       GLY  37 -11.725  -2.737  -5.503
  155   1HA   GLY  37          HA2       GLY  37 -10.255  -0.267  -5.314
  156   2HA   GLY  37          HA1       GLY  37 -11.714  -0.685  -4.432
  157    H    PHE  38           HN       PHE  38  -8.255  -1.570  -4.569
  158    HA   PHE  38           HA       PHE  38  -8.261  -1.631  -1.624
  159   1HB   PHE  38          HB2       PHE  38  -6.521  -3.356  -3.397
  160   2HB   PHE  38          HB1       PHE  38  -6.660  -3.437  -1.647
  161    HD1  PHE  38           HD1      PHE  38  -9.610  -3.333  -1.333
  162    HD2  PHE  38           HD2      PHE  38  -7.172  -5.458  -4.093
  163    HE1  PHE  38           HE1      PHE  38 -11.357  -5.052  -1.546
  164    HE2  PHE  38           HE2      PHE  38  -8.915  -7.177  -4.318
  165    HZ   PHE  38           HZ       PHE  38 -11.012  -6.977  -3.043
  166    H    GLN  39           HN       GLN  39  -5.719  -1.744  -0.981
  167    HA   GLN  39           HA       GLN  39  -4.255   0.292  -2.496
  168   1HB   GLN  39          HB2       GLN  39  -3.658   1.461  -0.396
  169   2HB   GLN  39          HB1       GLN  39  -5.381   1.528  -0.737
  170   1HG   GLN  39          HG2       GLN  39  -5.719  -0.335   0.862
  171   2HG   GLN  39          HG1       GLN  39  -4.004  -0.253   1.261
  172   1HE2  GLN  39          HE21      GLN  39  -6.969   0.657   2.269
  173   2HE2  GLN  39          HE22      GLN  39  -6.558   2.057   3.192
  174    H    GLU  40           HN       GLU  40  -3.845  -2.461  -2.524
  175    HA   GLU  40           HA       GLU  40  -1.606  -3.027  -0.751
  176   1HB   GLU  40          HB2       GLU  40  -1.693  -5.294  -1.731
  177   2HB   GLU  40          HB1       GLU  40  -3.234  -4.794  -1.050
  178   1HG   GLU  40          HG2       GLU  40  -4.011  -4.225  -3.329
  179   2HG   GLU  40          HG1       GLU  40  -2.491  -4.846  -3.968
  180    H    ALA  41           HN       ALA  41  -2.243  -2.762  -4.245
  181    HA   ALA  41           HA       ALA  41   0.352  -3.328  -5.140
  182   1HB   ALA  41          HB1       ALA  41  -1.584  -1.455  -6.489
  183   2HB   ALA  41          HB2       ALA  41  -1.721  -3.212  -6.549
  184   3HB   ALA  41          HB3       ALA  41  -0.307  -2.415  -7.238
  185    H    TYR  42           HN       TYR  42  -1.172  -0.262  -4.234
  186    HA   TYR  42           HA       TYR  42   0.659   1.606  -4.991
  187   1HB   TYR  42          HB2       TYR  42  -1.449   2.126  -3.856
  188   2HB   TYR  42          HB1       TYR  42  -0.817   1.474  -2.352
  189    HD1  TYR  42           HD1      TYR  42   1.366   2.638  -1.454
  190    HD2  TYR  42           HD2      TYR  42  -1.317   4.397  -4.249
  191    HE1  TYR  42           HE1      TYR  42   2.197   4.867  -0.841
  192    HE2  TYR  42           HE2      TYR  42  -0.492   6.631  -3.645
  193    HH   TYR  42           HH       TYR  42   1.498   7.662  -2.651
  194    H    ARG  43           HN       ARG  43   0.868  -0.472  -2.121
  195    HA   ARG  43           HA       ARG  43   3.172   0.655  -0.978
  196   1HB   ARG  43          HB2       ARG  43   2.243  -2.218  -0.844
  197   2HB   ARG  43          HB1       ARG  43   3.374  -1.448   0.258
  198   1HG   ARG  43          HG2       ARG  43   0.490  -0.662  -0.100
  199   2HG   ARG  43          HG1       ARG  43   1.125  -1.662   1.206
  200   1HD   ARG  43          HD2       ARG  43   2.519   0.182   1.965
  201   2HD   ARG  43          HD1       ARG  43   1.950   1.183   0.630
  202    HE   ARG  43           HE       ARG  43   0.633   0.740   3.103
  203   1HH1  ARG  43          HH11      ARG  43   0.022   1.297  -0.302
  204   2HH1  ARG  43          HH12      ARG  43  -1.581   1.893  -0.040
  205   1HH2  ARG  43          HH21      ARG  43  -1.477   1.525   3.436
  206   2HH2  ARG  43          HH22      ARG  43  -2.432   2.024   2.081
  207    H    ARG  44           HN       ARG  44   2.794  -1.838  -3.441
  208    HA   ARG  44           HA       ARG  44   5.353  -2.885  -3.522
  209   1HB   ARG  44          HB2       ARG  44   3.532  -2.419  -5.888
  210   2HB   ARG  44          HB1       ARG  44   4.865  -3.561  -5.815
  211   1HG   ARG  44          HG2       ARG  44   2.340  -3.667  -4.177
  212   2HG   ARG  44          HG1       ARG  44   2.747  -4.699  -5.548
  213   1HD   ARG  44          HD2       ARG  44   4.654  -5.595  -4.313
  214   2HD   ARG  44          HD1       ARG  44   4.268  -4.549  -2.947
  215    HE   ARG  44           HE       ARG  44   2.011  -6.094  -3.536
  216   1HH1  ARG  44          HH11      ARG  44   5.260  -6.528  -2.306
  217   2HH1  ARG  44          HH12      ARG  44   4.847  -7.916  -1.357
  218   1HH2  ARG  44          HH21      ARG  44   1.472  -7.920  -2.283
  219   2HH2  ARG  44          HH22      ARG  44   2.696  -8.707  -1.344
  220    H    PHE  45           HN       PHE  45   4.153   0.070  -5.093
  221    HA   PHE  45           HA       PHE  45   6.916   0.609  -5.942
  222   1HB   PHE  45          HB2       PHE  45   5.679   2.288  -7.546
  223   2HB   PHE  45          HB1       PHE  45   5.839   0.588  -7.956
  224    HD1  PHE  45           HD1      PHE  45   3.854  -0.942  -7.312
  225    HD2  PHE  45           HD2      PHE  45   3.601   3.295  -7.574
  226    HE1  PHE  45           HE1      PHE  45   1.416  -1.109  -7.568
  227    HE2  PHE  45           HE2      PHE  45   1.160   3.134  -7.827
  228    HZ   PHE  45           HZ       PHE  45   0.067   0.930  -7.826
  229    H    TYR  46           HN       TYR  46   5.493   1.298  -3.339
  230    HA   TYR  46           HA       TYR  46   6.411   4.074  -3.290
  231   1HB   TYR  46          HB2       TYR  46   3.703   3.134  -2.380
  232   2HB   TYR  46          HB1       TYR  46   4.461   4.544  -1.654
  233    HD1  TYR  46           HD1      TYR  46   3.455   3.164  -4.979
  234    HD2  TYR  46           HD2      TYR  46   4.175   6.629  -2.619
  235    HE1  TYR  46           HE1      TYR  46   2.588   4.578  -6.793
  236    HE2  TYR  46           HE2      TYR  46   3.309   8.049  -4.428
  237    HH   TYR  46           HH       TYR  46   3.104   7.348  -7.379
  238    H    GLY  47           HN       GLY  47   4.888   1.771  -1.014
  239   1HA   GLY  47          HA2       GLY  47   6.159   0.579   0.640
  240   2HA   GLY  47          HA1       GLY  47   7.345   1.873   0.604
  241    HA   PRO  48           HA       PRO  48   5.415   3.355   4.315
  242   1HB   PRO  48          HB2       PRO  48   6.381   5.906   4.305
  243   2HB   PRO  48          HB1       PRO  48   7.347   4.502   4.770
  244   1HG   PRO  48          HG2       PRO  48   7.266   5.967   2.162
  245   2HG   PRO  48          HG1       PRO  48   8.666   5.343   3.053
  246   1HD   PRO  48          HD2       PRO  48   7.614   4.050   0.930
  247   2HD   PRO  48          HD1       PRO  48   8.346   3.186   2.297
  248    H    VAL  49           HN       VAL  49   3.502   4.269   4.823
  249    HA   VAL  49           HA       VAL  49   2.355   6.279   3.017
  250    HB   VAL  49           HB       VAL  49   0.160   5.173   3.093
  251   1HG1  VAL  49          HG11      VAL  49   2.141   3.179   2.048
  252   2HG1  VAL  49          HG12      VAL  49   1.937   4.760   1.294
  253   3HG1  VAL  49          HG13      VAL  49   0.577   3.642   1.380
  254   1HG2  VAL  49          HG21      VAL  49   1.662   2.968   4.498
  255   2HG2  VAL  49          HG22      VAL  49   0.051   2.788   3.806
  256   3HG2  VAL  49          HG23      VAL  49   0.318   3.918   5.132
  Start of MODEL    8
    1    H    LEU  16           HN       LEU  16   9.604  -1.839   0.109
    2    HA   LEU  16           HA       LEU  16   9.427   0.064  -2.034
    3   1HB   LEU  16          HB2       LEU  16   8.101  -1.923  -2.182
    4   2HB   LEU  16          HB1       LEU  16   7.386  -1.635  -0.608
    5    HG   LEU  16           HG       LEU  16   6.193   0.320  -1.503
    6   1HD1  LEU  16          HD11      LEU  16   6.391   1.116  -3.626
    7   2HD1  LEU  16          HD12      LEU  16   6.876  -0.444  -4.288
    8   3HD1  LEU  16          HD13      LEU  16   8.036   0.529  -3.385
    9   1HD2  LEU  16          HD21      LEU  16   4.740  -1.408  -1.615
   10   2HD2  LEU  16          HD22      LEU  16   5.841  -2.420  -2.549
   11   3HD2  LEU  16          HD23      LEU  16   4.922  -1.145  -3.350
   12   1HN   CGU  17          HN        CGU  17   8.122  -0.169   1.258
   13    HA   CGU  17           HA       CGU  17   7.142   1.277   2.661
   14   1HB   CGU  17          HB1       CGU  17   9.456   2.060   2.825
   15   2HB   CGU  17          HB2       CGU  17   8.328   3.390   3.062
   16    HG   CGU  17           HG2      CGU  17   9.733   2.788   0.450
   17    HA   PRO  18           HA       PRO  18   3.751   3.525   1.103
   18   1HB   PRO  18          HB2       PRO  18   3.656   5.768   2.710
   19   2HB   PRO  18          HB1       PRO  18   3.049   4.174   3.167
   20   1HG   PRO  18          HG2       PRO  18   5.657   5.474   3.838
   21   2HG   PRO  18          HG1       PRO  18   4.591   4.499   4.868
   22   1HD   PRO  18          HD2       PRO  18   6.814   3.467   3.793
   23   2HD   PRO  18          HD1       PRO  18   5.336   2.499   3.957
   24    H    LYS  19           HN       LYS  19   4.275   4.168  -0.942
   25    HA   LYS  19           HA       LYS  19   5.362   6.893  -1.232
   26   1HB   LYS  19          HB2       LYS  19   6.371   6.205  -3.362
   27   2HB   LYS  19          HB1       LYS  19   7.001   5.261  -2.020
   28   1HG   LYS  19          HG2       LYS  19   5.657   3.374  -2.631
   29   2HG   LYS  19          HG1       LYS  19   4.817   4.315  -3.864
   30   1HD   LYS  19          HD2       LYS  19   6.487   2.889  -4.894
   31   2HD   LYS  19          HD1       LYS  19   6.940   4.584  -5.079
   32   1HE   LYS  19          HE2       LYS  19   8.478   4.367  -3.177
   33   2HE   LYS  19          HE1       LYS  19   8.032   2.669  -3.019
   34   1HZ   LYS  19          HZ1       LYS  19   8.763   2.820  -5.602
   35   2HZ   LYS  19          HZ2       LYS  19   9.785   2.338  -4.344
   36   3HZ   LYS  19          HZ3       LYS  19   9.821   3.936  -4.895
   37    H    ARG  20           HN       ARG  20   2.544   5.832  -1.071
   38    HA   ARG  20           HA       ARG  20   1.465   6.117  -3.717
   39   1HB   ARG  20          HB2       ARG  20   0.282   5.720  -0.992
   40   2HB   ARG  20          HB1       ARG  20  -0.749   6.189  -2.335
   41   1HG   ARG  20          HG2       ARG  20  -0.738   3.771  -1.966
   42   2HG   ARG  20          HG1       ARG  20  -0.126   4.206  -3.561
   43   1HD   ARG  20          HD2       ARG  20   2.170   3.939  -2.745
   44   2HD   ARG  20          HD1       ARG  20   1.551   3.497  -1.154
   45    HE   ARG  20           HE       ARG  20   0.390   1.764  -2.981
   46   1HH1  ARG  20          HH11      ARG  20   3.609   2.513  -1.836
   47   2HH1  ARG  20          HH12      ARG  20   4.215   0.919  -2.124
   48   1HH2  ARG  20          HH21      ARG  20   1.191  -0.330  -3.364
   49   2HH2  ARG  20          HH22      ARG  20   2.842  -0.698  -2.993
   50   1HN   CGU  21          HN        CGU  21   2.672   8.275  -3.859
   51    HA   CGU  21           HA       CGU  21   1.321  10.525  -2.626
   52   1HB   CGU  21          HB1       CGU  21   3.537  10.430  -4.700
   53   2HB   CGU  21          HB2       CGU  21   2.940  11.899  -3.921
   54    HG   CGU  21           HG2      CGU  21   4.172   9.528  -2.490
   55    H    VAL  22           HN       VAL  22   1.696   9.084  -5.832
   56    HA   VAL  22           HA       VAL  22  -0.231  10.913  -7.018
   57    HB   VAL  22           HB       VAL  22   1.162   8.527  -8.251
   58   1HG1  VAL  22          HG11      VAL  22  -0.556  10.711  -9.388
   59   2HG1  VAL  22          HG12      VAL  22  -0.719   8.964  -9.573
   60   3HG1  VAL  22          HG13      VAL  22   0.594   9.818 -10.384
   61   1HG2  VAL  22          HG21      VAL  22   2.580  10.280  -9.355
   62   2HG2  VAL  22          HG22      VAL  22   2.840  10.095  -7.621
   63   3HG2  VAL  22          HG23      VAL  22   1.890  11.450  -8.229
   64    H    CYS  23           HN       CYS  23   0.032   7.532  -6.036
   65    HA   CYS  23           HA       CYS  23  -2.326   6.533  -7.136
   66   1HB   CYS  23          HB2       CYS  23  -0.555   5.139  -6.108
   67   2HB   CYS  23          HB1       CYS  23  -1.039   5.723  -4.520
   68   1HN   CGU  24          HN        CGU  24  -1.777   8.233  -4.075
   69    HA   CGU  24           HA       CGU  24  -4.347   7.890  -2.981
   70   1HB   CGU  24          HB1       CGU  24  -3.383  10.419  -2.142
   71   2HB   CGU  24          HB2       CGU  24  -1.966   9.389  -2.347
   72    HG   CGU  24           HG2      CGU  24  -2.841   9.197  -0.070
   73    H    LEU  25           HN       LEU  25  -3.037  10.292  -5.212
   74    HA   LEU  25           HA       LEU  25  -5.183  12.096  -5.188
   75   1HB   LEU  25          HB2       LEU  25  -2.949  12.542  -6.168
   76   2HB   LEU  25          HB1       LEU  25  -3.326  11.444  -7.479
   77    HG   LEU  25           HG       LEU  25  -3.547  13.839  -8.086
   78   1HD1  LEU  25          HD11      LEU  25  -5.004  11.822  -8.971
   79   2HD1  LEU  25          HD12      LEU  25  -5.302  13.480  -9.491
   80   3HD1  LEU  25          HD13      LEU  25  -6.308  12.756  -8.237
   81   1HD2  LEU  25          HD21      LEU  25  -4.430  14.471  -5.786
   82   2HD2  LEU  25          HD22      LEU  25  -5.998  13.893  -6.351
   83   3HD2  LEU  25          HD23      LEU  25  -5.201  15.233  -7.176
   84    H    ASN  26           HN       ASN  26  -4.505   9.433  -7.488
   85    HA   ASN  26           HA       ASN  26  -7.138   9.714  -8.645
   86   1HB   ASN  26          HB2       ASN  26  -6.450   7.854 -10.129
   87   2HB   ASN  26          HB1       ASN  26  -5.310   9.193 -10.141
   88   1HD2  ASN  26          HD21      ASN  26  -3.237   8.747  -9.823
   89   2HD2  ASN  26          HD22      ASN  26  -2.612   7.252  -9.227
   90    HA   PRO  27           HA       PRO  27  -9.062   6.998  -5.677
   91   1HB   PRO  27          HB2       PRO  27 -11.256   6.937  -7.654
   92   2HB   PRO  27          HB1       PRO  27 -11.274   7.460  -5.967
   93   1HG   PRO  27          HG2       PRO  27 -11.426   9.228  -7.967
   94   2HG   PRO  27          HG1       PRO  27 -10.527   9.590  -6.481
   95   1HD   PRO  27          HD2       PRO  27  -9.494   8.740  -9.162
   96   2HD   PRO  27          HD1       PRO  27  -8.859   9.968  -8.046
   97    H    ASP  28           HN       ASP  28  -8.450   6.228  -9.008
   98    HA   ASP  28           HA       ASP  28  -9.560   3.746  -9.363
   99   1HB   ASP  28          HB2       ASP  28  -6.812   4.656 -10.251
  100   2HB   ASP  28          HB1       ASP  28  -7.668   3.258 -10.892
  101    H    CYS  29           HN       CYS  29  -6.195   4.220  -8.238
  102    HA   CYS  29           HA       CYS  29  -6.168   1.522  -7.155
  103   1HB   CYS  29          HB2       CYS  29  -3.794   1.941  -6.714
  104   2HB   CYS  29          HB1       CYS  29  -4.205   2.334  -8.380
  105    H    ASP  30           HN       ASP  30  -6.369   4.828  -6.017
  106    HA   ASP  30           HA       ASP  30  -5.605   4.617  -3.377
  107   1HB   ASP  30          HB2       ASP  30  -6.330   6.710  -4.564
  108   2HB   ASP  30          HB1       ASP  30  -7.996   6.187  -4.367
  109    H    GLU  31           HN       GLU  31  -8.664   3.648  -4.862
  110    HA   GLU  31           HA       GLU  31  -9.837   2.894  -2.333
  111   1HB   GLU  31          HB2       GLU  31 -11.170   3.814  -4.231
  112   2HB   GLU  31          HB1       GLU  31 -10.829   2.347  -5.135
  113   1HG   GLU  31          HG2       GLU  31 -12.004   1.027  -3.455
  114   2HG   GLU  31          HG1       GLU  31 -12.329   2.490  -2.528
  115    H    LEU  32           HN       LEU  32  -7.545   1.543  -2.391
  116    HA   LEU  32           HA       LEU  32  -7.917  -1.099  -3.530
  117   1HB   LEU  32          HB2       LEU  32  -5.690  -0.029  -3.520
  118   2HB   LEU  32          HB1       LEU  32  -5.709  -0.025  -1.768
  119    HG   LEU  32           HG       LEU  32  -5.745  -2.497  -1.779
  120   1HD1  LEU  32          HD11      LEU  32  -6.024  -2.041  -4.676
  121   2HD1  LEU  32          HD12      LEU  32  -6.601  -3.370  -3.671
  122   3HD1  LEU  32          HD13      LEU  32  -4.919  -3.330  -4.199
  123   1HD2  LEU  32          HD21      LEU  32  -3.419  -2.788  -2.645
  124   2HD2  LEU  32          HD22      LEU  32  -3.625  -1.436  -1.531
  125   3HD2  LEU  32          HD23      LEU  32  -3.506  -1.139  -3.266
  126    H    ALA  33           HN       ALA  33  -7.955   0.473  -0.369
  127    HA   ALA  33           HA       ALA  33  -8.072  -1.777   1.280
  128   1HB   ALA  33          HB1       ALA  33  -7.718   0.479   2.131
  129   2HB   ALA  33          HB2       ALA  33  -9.068  -0.304   2.953
  130   3HB   ALA  33          HB3       ALA  33  -9.375   0.907   1.708
  131    H    ASP  34           HN       ASP  34 -10.452  -0.515  -0.875
  132    HA   ASP  34           HA       ASP  34 -12.868  -1.171   0.206
  133   1HB   ASP  34          HB2       ASP  34 -12.478  -0.147  -2.040
  134   2HB   ASP  34          HB1       ASP  34 -12.049  -1.738  -2.652
  135    H    HIS  35           HN       HIS  35 -10.642  -3.421  -1.456
  136    HA   HIS  35           HA       HIS  35 -12.195  -5.621  -0.273
  137   1HB   HIS  35          HB2       HIS  35 -11.589  -7.027  -2.206
  138   2HB   HIS  35          HB1       HIS  35 -12.565  -5.637  -2.650
  139    HD1  HIS  35           HD1      HIS  35 -11.271  -6.719  -4.970
  140    HD2  HIS  35           HD2      HIS  35  -9.181  -4.177  -2.441
  141    HE1  HIS  35           HE1      HIS  35  -9.381  -5.800  -6.349
  142    HE2  HIS  35           HE2      HIS  35  -8.203  -4.176  -4.829
  143    H    ILE  36           HN       ILE  36  -9.016  -4.254  -0.585
  144    HA   ILE  36           HA       ILE  36  -8.022  -6.397   1.115
  145    HB   ILE  36           HB       ILE  36  -5.948  -6.698  -0.198
  146   1HG1  ILE  36          HG12      ILE  36  -7.421  -5.043  -2.256
  147   2HG1  ILE  36          HG11      ILE  36  -5.880  -4.669  -1.498
  148   1HG2  ILE  36          HG21      ILE  36  -7.966  -8.197  -0.349
  149   2HG2  ILE  36          HG22      ILE  36  -6.847  -8.273  -1.709
  150   3HG2  ILE  36          HG23      ILE  36  -8.358  -7.376  -1.860
  151   1HD1  ILE  36          HD11      ILE  36  -6.501  -6.641  -3.634
  152   2HD1  ILE  36          HD12      ILE  36  -5.105  -6.889  -2.585
  153   3HD1  ILE  36          HD13      ILE  36  -5.230  -5.422  -3.556
  154    H    GLY  37           HN       GLY  37  -6.862  -3.470  -0.614
  155   1HA   GLY  37          HA2       GLY  37  -5.694  -1.649   0.135
  156   2HA   GLY  37          HA1       GLY  37  -6.358  -1.998   1.721
  157    H    PHE  38           HN       PHE  38  -3.936  -3.520  -0.450
  158    HA   PHE  38           HA       PHE  38  -2.179  -3.761   1.897
  159   1HB   PHE  38          HB2       PHE  38  -2.391  -5.456  -0.586
  160   2HB   PHE  38          HB1       PHE  38  -0.998  -5.535   0.485
  161    HD1  PHE  38           HD1      PHE  38  -4.718  -5.553   0.798
  162    HD2  PHE  38           HD2      PHE  38  -1.007  -7.248   1.992
  163    HE1  PHE  38           HE1      PHE  38  -5.917  -7.157   2.224
  164    HE2  PHE  38           HE2      PHE  38  -2.196  -8.858   3.423
  165    HZ   PHE  38           HZ       PHE  38  -4.656  -8.815   3.540
  166    H    GLN  39           HN       GLN  39  -1.135  -4.106  -1.458
  167    HA   GLN  39           HA       GLN  39  -0.056  -1.505  -1.760
  168   1HB   GLN  39          HB2       GLN  39   2.359  -2.120  -1.542
  169   2HB   GLN  39          HB1       GLN  39   1.482  -2.122  -0.018
  170   1HG   GLN  39          HG2       GLN  39   1.319  -4.539  -0.083
  171   2HG   GLN  39          HG1       GLN  39   2.121  -4.569  -1.652
  172   1HE2  GLN  39          HE21      GLN  39   2.571  -4.961   1.587
  173   2HE2  GLN  39          HE22      GLN  39   4.277  -4.703   1.671
  174    H    GLU  40           HN       GLU  40  -1.524  -3.172  -3.438
  175    HA   GLU  40           HA       GLU  40   0.444  -3.914  -5.501
  176   1HB   GLU  40          HB2       GLU  40  -1.228  -5.464  -6.400
  177   2HB   GLU  40          HB1       GLU  40  -0.829  -5.838  -4.730
  178   1HG   GLU  40          HG2       GLU  40  -2.888  -4.753  -3.991
  179   2HG   GLU  40          HG1       GLU  40  -3.286  -4.370  -5.665
  180    H    ALA  41           HN       ALA  41  -2.586  -2.219  -4.881
  181    HA   ALA  41           HA       ALA  41  -3.425  -1.581  -7.419
  182   1HB   ALA  41          HB1       ALA  41  -4.738   0.063  -6.470
  183   2HB   ALA  41          HB2       ALA  41  -3.514   0.499  -5.277
  184   3HB   ALA  41          HB3       ALA  41  -4.424  -1.000  -5.099
  185    H    TYR  42           HN       TYR  42  -0.950   0.086  -5.497
  186    HA   TYR  42           HA       TYR  42  -0.470   2.205  -7.291
  187   1HB   TYR  42          HB2       TYR  42   0.267   2.257  -4.963
  188   2HB   TYR  42          HB1       TYR  42   1.366   0.917  -5.261
  189    HD1  TYR  42           HD1      TYR  42   3.200   1.342  -7.086
  190    HD2  TYR  42           HD2      TYR  42   1.053   4.426  -5.092
  191    HE1  TYR  42           HE1      TYR  42   4.987   2.935  -7.638
  192    HE2  TYR  42           HE2      TYR  42   2.830   6.028  -5.640
  193    HH   TYR  42           HH       TYR  42   4.638   6.317  -7.225
  194    H    ARG  43           HN       ARG  43   0.975  -1.009  -6.991
  195    HA   ARG  43           HA       ARG  43   2.980  -0.661  -8.959
  196   1HB   ARG  43          HB2       ARG  43   1.675  -3.201  -7.969
  197   2HB   ARG  43          HB1       ARG  43   3.159  -3.119  -8.907
  198   1HG   ARG  43          HG2       ARG  43   4.247  -1.899  -7.094
  199   2HG   ARG  43          HG1       ARG  43   2.755  -1.963  -6.155
  200   1HD   ARG  43          HD2       ARG  43   4.316  -3.690  -5.430
  201   2HD   ARG  43          HD1       ARG  43   2.864  -4.402  -6.130
  202    HE   ARG  43           HE       ARG  43   4.192  -5.399  -7.681
  203   1HH1  ARG  43          HH11      ARG  43   5.940  -2.628  -6.433
  204   2HH1  ARG  43          HH12      ARG  43   7.341  -2.927  -7.404
  205   1HH2  ARG  43          HH21      ARG  43   6.045  -5.783  -8.948
  206   2HH2  ARG  43          HH22      ARG  43   7.404  -4.715  -8.827
  207    H    ARG  44           HN       ARG  44  -0.409  -1.442  -9.164
  208    HA   ARG  44           HA       ARG  44  -0.581  -2.781 -11.577
  209   1HB   ARG  44          HB2       ARG  44  -2.480  -0.703 -10.478
  210   2HB   ARG  44          HB1       ARG  44  -2.855  -1.827 -11.775
  211   1HG   ARG  44          HG2       ARG  44  -2.600  -3.703 -10.258
  212   2HG   ARG  44          HG1       ARG  44  -2.150  -2.604  -8.954
  213   1HD   ARG  44          HD2       ARG  44  -4.353  -1.514  -9.151
  214   2HD   ARG  44          HD1       ARG  44  -4.797  -2.683 -10.393
  215    HE   ARG  44           HE       ARG  44  -3.998  -4.100  -8.122
  216   1HH1  ARG  44          HH11      ARG  44  -6.581  -1.949  -9.103
  217   2HH1  ARG  44          HH12      ARG  44  -7.736  -2.643  -8.017
  218   1HH2  ARG  44          HH21      ARG  44  -5.526  -5.009  -6.692
  219   2HH2  ARG  44          HH22      ARG  44  -7.138  -4.380  -6.650
  220    H    PHE  45           HN       PHE  45  -0.093   0.669 -11.018
  221    HA   PHE  45           HA       PHE  45   0.174   1.002 -13.926
  222   1HB   PHE  45          HB2       PHE  45  -0.647   3.300 -13.720
  223   2HB   PHE  45          HB1       PHE  45  -1.841   2.135 -13.172
  224    HD1  PHE  45           HD1      PHE  45  -1.534   1.624 -10.488
  225    HD2  PHE  45           HD2      PHE  45  -0.544   5.227 -12.525
  226    HE1  PHE  45           HE1      PHE  45  -1.766   2.870  -8.387
  227    HE2  PHE  45           HE2      PHE  45  -0.777   6.480 -10.423
  228    HZ   PHE  45           HZ       PHE  45  -1.387   5.303  -8.350
  229    H    TYR  46           HN       TYR  46   2.232   0.341 -11.950
  230    HA   TYR  46           HA       TYR  46   4.085   2.501 -12.616
  231   1HB   TYR  46          HB2       TYR  46   3.448   1.548  -9.861
  232   2HB   TYR  46          HB1       TYR  46   5.121   1.946 -10.232
  233    HD1  TYR  46           HD1      TYR  46   1.673   3.364 -10.358
  234    HD2  TYR  46           HD2      TYR  46   5.848   4.149 -10.138
  235    HE1  TYR  46           HE1      TYR  46   1.206   5.748  -9.984
  236    HE2  TYR  46           HE2      TYR  46   5.388   6.532  -9.762
  237    HH   TYR  46           HH       TYR  46   2.887   8.059 -10.485
  238    H    GLY  47           HN       GLY  47   4.079  -0.600 -10.827
  239   1HA   GLY  47          HA2       GLY  47   5.083  -2.605 -11.526
  240   2HA   GLY  47          HA1       GLY  47   5.910  -1.725 -12.801
  241    HA   PRO  48           HA       PRO  48   9.582  -2.163 -10.330
  242   1HB   PRO  48          HB2       PRO  48  10.544   0.231 -11.780
  243   2HB   PRO  48          HB1       PRO  48  11.243  -1.389 -11.694
  244   1HG   PRO  48          HG2       PRO  48  10.041  -0.518 -13.917
  245   2HG   PRO  48          HG1       PRO  48   9.895  -2.205 -13.390
  246   1HD   PRO  48          HD2       PRO  48   7.932   0.041 -13.128
  247   2HD   PRO  48          HD1       PRO  48   7.647  -1.662 -13.545
  248    H    VAL  49           HN       VAL  49  10.012  -1.444  -8.336
  249    HA   VAL  49           HA       VAL  49   9.489   1.384  -7.702
  250    HB   VAL  49           HB       VAL  49   8.669   0.729  -5.477
  251   1HG1  VAL  49          HG11      VAL  49   7.144  -0.522  -7.758
  252   2HG1  VAL  49          HG12      VAL  49   7.071   1.167  -7.257
  253   3HG1  VAL  49          HG13      VAL  49   6.473  -0.098  -6.184
  254   1HG2  VAL  49          HG21      VAL  49   9.123  -2.037  -6.540
  255   2HG2  VAL  49          HG22      VAL  49   7.910  -1.734  -5.298
  256   3HG2  VAL  49          HG23      VAL  49   9.602  -1.346  -4.989
  Start of MODEL    9
    1    H    LEU  16           HN       LEU  16  -3.136  -7.462   1.568
    2    HA   LEU  16           HA       LEU  16  -2.870  -5.764  -0.779
    3   1HB   LEU  16          HB2       LEU  16  -4.971  -5.047   0.296
    4   2HB   LEU  16          HB1       LEU  16  -4.100  -4.761   1.790
    5    HG   LEU  16           HG       LEU  16  -2.767  -3.010   0.649
    6   1HD1  LEU  16          HD11      LEU  16  -4.281  -4.012  -1.672
    7   2HD1  LEU  16          HD12      LEU  16  -2.680  -3.280  -1.586
    8   3HD1  LEU  16          HD13      LEU  16  -4.117  -2.260  -1.553
    9   1HD2  LEU  16          HD21      LEU  16  -4.548  -1.348   0.551
   10   2HD2  LEU  16          HD22      LEU  16  -4.766  -2.428   1.928
   11   3HD2  LEU  16          HD23      LEU  16  -5.755  -2.633   0.482
   12   1HN   CGU  17          HN        CGU  17  -2.293  -5.912   2.743
   13    HA   CGU  17           HA       CGU  17  -0.400  -5.679   3.978
   14   1HB   CGU  17          HB1       CGU  17   1.439  -5.278   1.682
   15   2HB   CGU  17          HB2       CGU  17   0.580  -6.820   1.728
   16    HG   CGU  17           HG2      CGU  17   1.364  -7.167   4.049
   17    HA   PRO  18           HA       PRO  18  -0.568  -1.184   3.848
   18   1HB   PRO  18          HB2       PRO  18   0.298  -0.805   6.398
   19   2HB   PRO  18          HB1       PRO  18  -1.363  -1.257   6.001
   20   1HG   PRO  18          HG2       PRO  18   0.900  -2.984   6.925
   21   2HG   PRO  18          HG1       PRO  18  -0.800  -3.001   7.429
   22   1HD   PRO  18          HD2       PRO  18   0.209  -4.778   5.656
   23   2HD   PRO  18          HD1       PRO  18  -1.468  -4.202   5.579
   24    H    LYS  19           HN       LYS  19   1.140  -0.984   2.330
   25    HA   LYS  19           HA       LYS  19   3.665  -0.161   3.539
   26   1HB   LYS  19          HB2       LYS  19   4.995  -1.422   1.898
   27   2HB   LYS  19          HB1       LYS  19   4.056  -2.489   2.933
   28   1HG   LYS  19          HG2       LYS  19   2.376  -2.695   1.126
   29   2HG   LYS  19          HG1       LYS  19   3.420  -1.721   0.090
   30   1HD   LYS  19          HD2       LYS  19   4.160  -4.364   1.346
   31   2HD   LYS  19          HD1       LYS  19   3.688  -4.122  -0.336
   32   1HE   LYS  19          HE2       LYS  19   5.624  -2.691  -0.691
   33   2HE   LYS  19          HE1       LYS  19   6.082  -2.867   1.002
   34   1HZ   LYS  19          HZ1       LYS  19   7.326  -4.328  -0.541
   35   2HZ   LYS  19          HZ2       LYS  19   5.884  -5.134  -0.903
   36   3HZ   LYS  19          HZ3       LYS  19   6.503  -5.176   0.670
   37    H    ARG  20           HN       ARG  20   1.403   1.232   2.289
   38    HA   ARG  20           HA       ARG  20   2.516   2.199  -0.226
   39   1HB   ARG  20          HB2       ARG  20  -0.142   2.456   1.125
   40   2HB   ARG  20          HB1       ARG  20   0.318   3.629  -0.099
   41   1HG   ARG  20          HG2       ARG  20  -1.006   1.859  -1.073
   42   2HG   ARG  20          HG1       ARG  20   0.635   1.823  -1.714
   43   1HD   ARG  20          HD2       ARG  20   1.173   0.030  -0.077
   44   2HD   ARG  20          HD1       ARG  20  -0.522   0.017   0.408
   45    HE   ARG  20           HE       ARG  20   0.597  -1.259  -1.852
   46   1HH1  ARG  20          HH11      ARG  20  -2.291   0.442  -0.821
   47   2HH1  ARG  20          HH12      ARG  20  -3.289  -0.271  -2.041
   48   1HH2  ARG  20          HH21      ARG  20  -0.726  -2.188  -3.451
   49   2HH2  ARG  20          HH22      ARG  20  -2.403  -1.764  -3.531
   50   1HN   CGU  21          HN        CGU  21   4.342   2.992   1.296
   51    HA   CGU  21           HA       CGU  21   3.851   5.399   2.774
   52   1HB   CGU  21          HB1       CGU  21   6.406   4.077   1.819
   53   2HB   CGU  21          HB2       CGU  21   6.383   5.557   2.783
   54    HG   CGU  21           HG2      CGU  21   5.152   2.911   3.600
   55    H    VAL  22           HN       VAL  22   5.196   4.610  -0.403
   56    HA   VAL  22           HA       VAL  22   5.473   7.410  -1.128
   57    HB   VAL  22           HB       VAL  22   5.863   4.945  -2.838
   58   1HG1  VAL  22          HG11      VAL  22   5.523   6.836  -4.238
   59   2HG1  VAL  22          HG12      VAL  22   7.256   6.515  -4.212
   60   3HG1  VAL  22          HG13      VAL  22   6.590   7.837  -3.254
   61   1HG2  VAL  22          HG21      VAL  22   7.834   6.540  -1.209
   62   2HG2  VAL  22          HG22      VAL  22   8.294   5.374  -2.450
   63   3HG2  VAL  22          HG23      VAL  22   7.412   4.838  -1.020
   64    H    CYS  23           HN       CYS  23   3.426   4.636  -1.890
   65    HA   CYS  23           HA       CYS  23   1.960   5.652  -4.012
   66   1HB   CYS  23          HB2       CYS  23   1.828   3.322  -3.283
   67   2HB   CYS  23          HB1       CYS  23   1.020   3.818  -1.802
   68   1HN   CGU  24          HN        CGU  24   1.429   6.076  -0.526
   69    HA   CGU  24           HA       CGU  24  -1.040   7.306  -0.523
   70   1HB   CGU  24          HB1       CGU  24   0.765   8.641   1.327
   71   2HB   CGU  24          HB2       CGU  24   1.000   6.892   1.348
   72    HG   CGU  24           HG2      CGU  24  -1.440   6.591   1.663
   73    H    LEU  25           HN       LEU  25   2.120   8.739  -1.219
   74    HA   LEU  25           HA       LEU  25   1.336  11.429  -1.308
   75   1HB   LEU  25          HB2       LEU  25   3.681  10.615  -1.247
   76   2HB   LEU  25          HB1       LEU  25   3.514  10.077  -2.905
   77    HG   LEU  25           HG       LEU  25   4.747  12.215  -2.672
   78   1HD1  LEU  25          HD11      LEU  25   3.150  11.507  -4.644
   79   2HD1  LEU  25          HD12      LEU  25   3.923  13.091  -4.608
   80   3HD1  LEU  25          HD13      LEU  25   2.242  12.920  -4.106
   81   1HD2  LEU  25          HD21      LEU  25   2.117  13.472  -1.946
   82   2HD2  LEU  25          HD22      LEU  25   3.723  14.201  -1.945
   83   3HD2  LEU  25          HD23      LEU  25   3.303  12.991  -0.732
   84    H    ASN  26           HN       ASN  26   1.748   9.127  -4.023
   85    HA   ASN  26           HA       ASN  26   0.372  10.958  -5.806
   86   1HB   ASN  26          HB2       ASN  26   0.851   9.239  -7.550
   87   2HB   ASN  26          HB1       ASN  26   2.287   9.839  -6.730
   88   1HD2  ASN  26          HD21      ASN  26   0.884   7.145  -7.904
   89   2HD2  ASN  26          HD22      ASN  26   1.644   5.956  -6.909
   90    HA   PRO  27           HA       PRO  27  -3.585   9.128  -4.697
   91   1HB   PRO  27          HB2       PRO  27  -4.504  10.870  -6.907
   92   2HB   PRO  27          HB1       PRO  27  -5.053  10.790  -5.230
   93   1HG   PRO  27          HG2       PRO  27  -3.568  12.832  -6.088
   94   2HG   PRO  27          HG1       PRO  27  -3.340  12.151  -4.466
   95   1HD   PRO  27          HD2       PRO  27  -1.708  11.735  -6.943
   96   2HD   PRO  27          HD1       PRO  27  -1.173  11.974  -5.267
   97    H    ASP  28           HN       ASP  28  -1.973   8.985  -7.761
   98    HA   ASP  28           HA       ASP  28  -3.823   7.795  -9.421
   99   1HB   ASP  28          HB2       ASP  28  -1.502   8.450 -10.066
  100   2HB   ASP  28          HB1       ASP  28  -0.903   7.022  -9.228
  101    H    CYS  29           HN       CYS  29  -1.707   6.184  -7.044
  102    HA   CYS  29           HA       CYS  29  -3.240   3.705  -7.402
  103   1HB   CYS  29          HB2       CYS  29  -1.435   2.628  -6.098
  104   2HB   CYS  29          HB1       CYS  29  -0.835   3.422  -7.546
  105    H    ASP  30           HN       ASP  30  -2.355   6.123  -4.982
  106    HA   ASP  30           HA       ASP  30  -3.322   4.873  -2.687
  107   1HB   ASP  30          HB2       ASP  30  -2.009   6.962  -2.663
  108   2HB   ASP  30          HB1       ASP  30  -3.379   7.828  -3.347
  109    H    GLU  31           HN       GLU  31  -5.019   7.021  -4.960
  110    HA   GLU  31           HA       GLU  31  -7.569   6.380  -3.688
  111   1HB   GLU  31          HB2       GLU  31  -6.988   8.746  -4.273
  112   2HB   GLU  31          HB1       GLU  31  -7.009   8.286  -5.969
  113   1HG   GLU  31          HG2       GLU  31  -9.381   7.634  -5.725
  114   2HG   GLU  31          HG1       GLU  31  -9.336   8.205  -4.061
  115    H    LEU  32           HN       LEU  32  -6.543   4.152  -4.793
  116    HA   LEU  32           HA       LEU  32  -7.214   3.735  -7.518
  117   1HB   LEU  32          HB2       LEU  32  -5.590   2.357  -6.235
  118   2HB   LEU  32          HB1       LEU  32  -6.924   1.682  -5.322
  119    HG   LEU  32           HG       LEU  32  -7.822   0.648  -7.339
  120   1HD1  LEU  32          HD11      LEU  32  -5.511   2.026  -8.686
  121   2HD1  LEU  32          HD12      LEU  32  -7.231   2.198  -9.035
  122   3HD1  LEU  32          HD13      LEU  32  -6.401   0.688  -9.412
  123   1HD2  LEU  32          HD21      LEU  32  -4.874   0.086  -7.042
  124   2HD2  LEU  32          HD22      LEU  32  -6.096  -1.007  -7.691
  125   3HD2  LEU  32          HD23      LEU  32  -6.138  -0.548  -5.988
  126    H    ALA  33           HN       ALA  33  -8.994   3.456  -4.511
  127    HA   ALA  33           HA       ALA  33 -11.153   1.888  -5.319
  128   1HB   ALA  33          HB1       ALA  33 -10.751   2.510  -2.996
  129   2HB   ALA  33          HB2       ALA  33 -12.392   2.925  -3.490
  130   3HB   ALA  33          HB3       ALA  33 -11.163   4.184  -3.367
  131    H    ASP  34           HN       ASP  34 -10.325   5.101  -6.254
  132    HA   ASP  34           HA       ASP  34 -12.673   6.370  -6.787
  133   1HB   ASP  34          HB2       ASP  34 -10.392   7.276  -7.214
  134   2HB   ASP  34          HB1       ASP  34 -10.295   6.276  -8.658
  135    H    HIS  35           HN       HIS  35 -11.120   3.918  -8.882
  136    HA   HIS  35           HA       HIS  35 -13.709   3.661 -10.254
  137   1HB   HIS  35          HB2       HIS  35 -12.531   3.106 -12.335
  138   2HB   HIS  35          HB1       HIS  35 -12.152   4.722 -11.764
  139    HD1  HIS  35           HD1      HIS  35 -10.206   3.835 -13.686
  140    HD2  HIS  35           HD2      HIS  35  -9.885   2.657  -9.718
  141    HE1  HIS  35           HE1      HIS  35  -7.800   3.186 -13.369
  142    HE2  HIS  35           HE2      HIS  35  -7.661   2.358 -10.996
  143    H    ILE  36           HN       ILE  36 -11.193   1.932  -8.601
  144    HA   ILE  36           HA       ILE  36 -12.729  -0.510  -9.015
  145    HB   ILE  36           HB       ILE  36 -10.743  -1.892  -9.442
  146   1HG1  ILE  36          HG12      ILE  36  -9.306   0.760  -9.691
  147   2HG1  ILE  36          HG11      ILE  36  -8.990  -0.497  -8.502
  148   1HG2  ILE  36          HG21      ILE  36 -10.980   0.273 -11.516
  149   2HG2  ILE  36          HG22      ILE  36 -12.198  -0.976 -11.259
  150   3HG2  ILE  36          HG23      ILE  36 -10.569  -1.424 -11.762
  151   1HD1  ILE  36          HD11      ILE  36  -8.624  -1.908 -10.745
  152   2HD1  ILE  36          HD12      ILE  36  -7.340  -1.017  -9.927
  153   3HD1  ILE  36          HD13      ILE  36  -8.163  -0.303 -11.315
  154    H    GLY  37           HN       GLY  37  -9.771   0.699  -7.376
  155   1HA   GLY  37          HA2       GLY  37  -9.138   0.565  -5.175
  156   2HA   GLY  37          HA1       GLY  37 -10.802   0.161  -4.791
  157    H    PHE  38           HN       PHE  38  -8.122  -1.447  -6.544
  158    HA   PHE  38           HA       PHE  38  -8.665  -3.843  -4.920
  159   1HB   PHE  38          HB2       PHE  38  -7.735  -3.630  -7.784
  160   2HB   PHE  38          HB1       PHE  38  -7.638  -5.121  -6.859
  161    HD1  PHE  38           HD1      PHE  38 -10.173  -2.483  -7.607
  162    HD2  PHE  38           HD2      PHE  38  -9.314  -6.627  -7.204
  163    HE1  PHE  38           HE1      PHE  38 -12.486  -3.018  -8.244
  164    HE2  PHE  38           HE2      PHE  38 -11.627  -7.174  -7.841
  165    HZ   PHE  38           HZ       PHE  38 -13.218  -5.367  -8.363
  166    H    GLN  39           HN       GLN  39  -5.929  -3.216  -7.071
  167    HA   GLN  39           HA       GLN  39  -3.991  -2.348  -5.332
  168   1HB   GLN  39          HB2       GLN  39  -4.348  -4.257  -3.914
  169   2HB   GLN  39          HB1       GLN  39  -4.253  -5.358  -5.280
  170   1HG   GLN  39          HG2       GLN  39  -1.912  -4.910  -5.548
  171   2HG   GLN  39          HG1       GLN  39  -1.971  -3.655  -4.312
  172   1HE2  GLN  39          HE21      GLN  39  -1.091  -4.284  -2.487
  173   2HE2  GLN  39          HE22      GLN  39  -1.157  -5.873  -1.814
  174    H    GLU  40           HN       GLU  40  -4.753  -4.568  -7.949
  175    HA   GLU  40           HA       GLU  40  -2.427  -5.100  -9.190
  176   1HB   GLU  40          HB2       GLU  40  -3.645  -4.982 -11.349
  177   2HB   GLU  40          HB1       GLU  40  -4.528  -5.844 -10.097
  178   1HG   GLU  40          HG2       GLU  40  -5.860  -3.797  -9.689
  179   2HG   GLU  40          HG1       GLU  40  -5.027  -3.027 -11.037
  180    H    ALA  41           HN       ALA  41  -4.113  -1.968  -9.414
  181    HA   ALA  41           HA       ALA  41  -2.528  -0.720 -11.309
  182   1HB   ALA  41          HB1       ALA  41  -3.836   0.514  -8.888
  183   2HB   ALA  41          HB2       ALA  41  -4.572   0.276 -10.473
  184   3HB   ALA  41          HB3       ALA  41  -3.229   1.403 -10.285
  185    H    TYR  42           HN       TYR  42  -2.113  -0.538  -7.764
  186    HA   TYR  42           HA       TYR  42   0.186   0.950  -7.618
  187   1HB   TYR  42          HB2       TYR  42  -0.988   0.360  -5.621
  188   2HB   TYR  42          HB1       TYR  42  -0.744  -1.357  -5.906
  189    HD1  TYR  42           HD1      TYR  42   1.731  -2.179  -5.884
  190    HD2  TYR  42           HD2      TYR  42   0.444   1.506  -4.193
  191    HE1  TYR  42           HE1      TYR  42   3.741  -2.131  -4.474
  192    HE2  TYR  42           HE2      TYR  42   2.453   1.564  -2.778
  193    HH   TYR  42           HH       TYR  42   4.148  -0.664  -1.899
  194    H    ARG  43           HN       ARG  43  -0.020  -2.577  -8.050
  195    HA   ARG  43           HA       ARG  43   2.714  -3.146  -7.996
  196   1HB   ARG  43          HB2       ARG  43   0.529  -4.550  -9.537
  197   2HB   ARG  43          HB1       ARG  43   2.127  -5.209  -9.222
  198   1HG   ARG  43          HG2       ARG  43   1.666  -5.148  -6.813
  199   2HG   ARG  43          HG1       ARG  43   0.050  -4.521  -7.151
  200   1HD   ARG  43          HD2       ARG  43  -0.474  -6.547  -8.413
  201   2HD   ARG  43          HD1       ARG  43   1.143  -7.171  -8.095
  202    HE   ARG  43           HE       ARG  43  -0.100  -6.580  -5.649
  203   1HH1  ARG  43          HH11      ARG  43  -0.359  -8.859  -8.294
  204   2HH1  ARG  43          HH12      ARG  43  -1.017 -10.119  -7.307
  205   1HH2  ARG  43          HH21      ARG  43  -0.968  -8.248  -4.352
  206   2HH2  ARG  43          HH22      ARG  43  -1.363  -9.773  -5.070
  207    H    ARG  44           HN       ARG  44   0.679  -2.056 -10.659
  208    HA   ARG  44           HA       ARG  44   2.276  -2.579 -12.841
  209   1HB   ARG  44          HB2       ARG  44   0.566  -0.133 -12.378
  210   2HB   ARG  44          HB1       ARG  44   1.176  -0.663 -13.937
  211   1HG   ARG  44          HG2       ARG  44  -0.137  -2.681 -13.816
  212   2HG   ARG  44          HG1       ARG  44  -0.678  -2.264 -12.189
  213   1HD   ARG  44          HD2       ARG  44  -1.752  -0.243 -13.085
  214   2HD   ARG  44          HD1       ARG  44  -1.245  -0.708 -14.708
  215    HE   ARG  44           HE       ARG  44  -2.692  -2.831 -13.611
  216   1HH1  ARG  44          HH11      ARG  44  -3.241   0.466 -14.654
  217   2HH1  ARG  44          HH12      ARG  44  -4.895   0.185 -15.082
  218   1HH2  ARG  44          HH21      ARG  44  -4.871  -3.195 -14.176
  219   2HH2  ARG  44          HH22      ARG  44  -5.821  -1.892 -14.810
  220    H    PHE  45           HN       PHE  45   2.499   0.221 -10.646
  221    HA   PHE  45           HA       PHE  45   5.038   0.896 -11.970
  222   1HB   PHE  45          HB2       PHE  45   4.544   3.258 -10.976
  223   2HB   PHE  45          HB1       PHE  45   3.768   2.746 -12.466
  224    HD1  PHE  45           HD1      PHE  45   1.412   1.647 -12.185
  225    HD2  PHE  45           HD2      PHE  45   3.261   4.148  -9.282
  226    HE1  PHE  45           HE1      PHE  45  -0.790   2.134 -11.210
  227    HE2  PHE  45           HE2      PHE  45   1.059   4.637  -8.300
  228    HZ   PHE  45           HZ       PHE  45  -0.969   3.632  -9.269
  229    H    TYR  46           HN       TYR  46   4.572  -0.894  -9.623
  230    HA   TYR  46           HA       TYR  46   6.567   0.370  -7.900
  231   1HB   TYR  46          HB2       TYR  46   3.928  -0.725  -6.969
  232   2HB   TYR  46          HB1       TYR  46   5.329  -0.747  -5.908
  233    HD1  TYR  46           HD1      TYR  46   3.361   1.619  -8.035
  234    HD2  TYR  46           HD2      TYR  46   5.742   1.073  -4.553
  235    HE1  TYR  46           HE1      TYR  46   2.912   3.941  -7.365
  236    HE2  TYR  46           HE2      TYR  46   5.296   3.391  -3.875
  237    HH   TYR  46           HH       TYR  46   4.395   5.699  -5.705
  238    H    GLY  47           HN       GLY  47   4.681  -2.662  -7.751
  239   1HA   GLY  47          HA2       GLY  47   5.648  -4.742  -8.578
  240   2HA   GLY  47          HA1       GLY  47   7.220  -4.132  -8.087
  241    HA   PRO  48           HA       PRO  48   7.082  -6.083  -4.140
  242   1HB   PRO  48          HB2       PRO  48   7.253  -3.433  -2.796
  243   2HB   PRO  48          HB1       PRO  48   8.292  -4.852  -2.625
  244   1HG   PRO  48          HG2       PRO  48   9.120  -2.724  -3.990
  245   2HG   PRO  48          HG1       PRO  48   9.496  -4.366  -4.546
  246   1HD   PRO  48          HD2       PRO  48   7.451  -2.439  -5.566
  247   2HD   PRO  48          HD1       PRO  48   8.480  -3.574  -6.464
  248    H    VAL  49           HN       VAL  49   5.280  -6.939  -3.344
  249    HA   VAL  49           HA       VAL  49   3.109  -5.138  -2.487
  250    HB   VAL  49           HB       VAL  49   2.450  -6.418  -4.461
  251   1HG1  VAL  49          HG11      VAL  49   2.889  -8.896  -2.800
  252   2HG1  VAL  49          HG12      VAL  49   3.946  -8.352  -4.103
  253   3HG1  VAL  49          HG13      VAL  49   2.284  -8.824  -4.455
  254   1HG2  VAL  49          HG21      VAL  49   0.963  -6.014  -2.288
  255   2HG2  VAL  49          HG22      VAL  49   0.903  -7.776  -2.333
  256   3HG2  VAL  49          HG23      VAL  49   0.349  -6.839  -3.720
  Start of MODEL   10
    1    H    LEU  16           HN       LEU  16   1.531 -10.036  -0.276
    2    HA   LEU  16           HA       LEU  16   2.249  -8.765  -2.771
    3   1HB   LEU  16          HB2       LEU  16  -0.169  -8.741  -2.944
    4   2HB   LEU  16          HB1       LEU  16  -0.311  -8.065  -1.333
    5    HG   LEU  16           HG       LEU  16   0.817  -6.002  -2.138
    6   1HD1  LEU  16          HD11      LEU  16   0.896  -5.683  -4.624
    7   2HD1  LEU  16          HD12      LEU  16   0.667  -7.425  -4.785
    8   3HD1  LEU  16          HD13      LEU  16   2.099  -6.795  -3.971
    9   1HD2  LEU  16          HD21      LEU  16  -1.463  -6.362  -3.989
   10   2HD2  LEU  16          HD22      LEU  16  -1.143  -5.088  -2.812
   11   3HD2  LEU  16          HD23      LEU  16  -1.767  -6.647  -2.276
   12   1HN   CGU  17          HN        CGU  17   1.024  -7.978   0.493
   13    HA   CGU  17           HA       CGU  17   1.905  -6.775   2.204
   14   1HB   CGU  17          HB1       CGU  17   4.483  -6.001   1.546
   15   2HB   CGU  17          HB2       CGU  17   4.288  -7.528   0.681
   16    HG   CGU  17           HG2      CGU  17   3.729  -7.093   3.625
   17    HA   PRO  18           HA       PRO  18   1.341  -2.610   0.879
   18   1HB   PRO  18          HB2       PRO  18   1.899  -1.261   3.120
   19   2HB   PRO  18          HB1       PRO  18   0.514  -2.355   3.020
   20   1HG   PRO  18          HG2       PRO  18   3.182  -2.784   4.288
   21   2HG   PRO  18          HG1       PRO  18   1.580  -3.297   4.843
   22   1HD   PRO  18          HD2       PRO  18   3.410  -4.909   3.514
   23   2HD   PRO  18          HD1       PRO  18   1.670  -5.227   3.643
   24    H    LYS  19           HN       LYS  19   2.533  -1.394  -0.434
   25    HA   LYS  19           HA       LYS  19   5.156  -0.460   0.447
   26   1HB   LYS  19          HB2       LYS  19   6.241  -1.005  -1.653
   27   2HB   LYS  19          HB1       LYS  19   5.611  -2.462  -0.912
   28   1HG   LYS  19          HG2       LYS  19   4.103  -0.987  -3.046
   29   2HG   LYS  19          HG1       LYS  19   5.332  -2.189  -3.428
   30   1HD   LYS  19          HD2       LYS  19   2.999  -2.789  -1.625
   31   2HD   LYS  19          HD1       LYS  19   2.911  -2.975  -3.374
   32   1HE   LYS  19          HE2       LYS  19   3.439  -5.107  -2.484
   33   2HE   LYS  19          HE1       LYS  19   4.913  -4.481  -3.215
   34   1HZ   LYS  19          HZ1       LYS  19   5.935  -4.291  -1.218
   35   2HZ   LYS  19          HZ2       LYS  19   4.880  -5.550  -0.821
   36   3HZ   LYS  19          HZ3       LYS  19   4.507  -3.965  -0.368
   37    H    ARG  20           HN       ARG  20   2.455   0.740   0.049
   38    HA   ARG  20           HA       ARG  20   2.783   2.492  -2.233
   39   1HB   ARG  20          HB2       ARG  20   0.633   2.007  -0.221
   40   2HB   ARG  20          HB1       ARG  20   0.655   3.554  -1.053
   41   1HG   ARG  20          HG2       ARG  20  -0.812   2.038  -2.201
   42   2HG   ARG  20          HG1       ARG  20   0.592   2.376  -3.209
   43   1HD   ARG  20          HD2       ARG  20   0.097   0.034  -3.342
   44   2HD   ARG  20          HD1       ARG  20   1.595   0.241  -2.438
   45    HE   ARG  20           HE       ARG  20  -0.459   0.152  -0.578
   46   1HH1  ARG  20          HH11      ARG  20   0.920  -1.981  -2.987
   47   2HH1  ARG  20          HH12      ARG  20   0.522  -3.422  -2.115
   48   1HH2  ARG  20          HH21      ARG  20  -0.984  -1.748   0.562
   49   2HH2  ARG  20          HH22      ARG  20  -0.556  -3.290  -0.099
   50   1HN   CGU  21          HN        CGU  21   4.955   2.979  -0.904
   51    HA   CGU  21           HA       CGU  21   4.712   4.988   1.127
   52   1HB   CGU  21          HB1       CGU  21   6.981   3.754  -0.399
   53   2HB   CGU  21          HB2       CGU  21   7.258   5.283   0.439
   54    HG   CGU  21           HG2      CGU  21   7.833   3.360   1.865
   55    H    VAL  22           HN       VAL  22   5.577   4.962  -2.312
   56    HA   VAL  22           HA       VAL  22   5.715   7.841  -2.474
   57    HB   VAL  22           HB       VAL  22   5.622   5.838  -4.735
   58   1HG1  VAL  22          HG11      VAL  22   5.126   8.098  -5.450
   59   2HG1  VAL  22          HG12      VAL  22   6.724   7.621  -6.023
   60   3HG1  VAL  22          HG13      VAL  22   6.570   8.699  -4.635
   61   1HG2  VAL  22          HG21      VAL  22   7.491   5.227  -3.419
   62   2HG2  VAL  22          HG22      VAL  22   7.950   6.910  -3.159
   63   3HG2  VAL  22          HG23      VAL  22   8.126   6.185  -4.757
   64    H    CYS  23           HN       CYS  23   3.381   5.308  -3.130
   65    HA   CYS  23           HA       CYS  23   1.550   6.570  -4.752
   66   1HB   CYS  23          HB2       CYS  23   1.326   4.236  -4.153
   67   2HB   CYS  23          HB1       CYS  23   1.059   4.655  -2.466
   68   1HN   CGU  24          HN        CGU  24   1.758   6.720  -1.200
   69    HA   CGU  24           HA       CGU  24  -0.476   8.216  -0.616
   70   1HB   CGU  24          HB1       CGU  24   1.587   9.222   1.049
   71   2HB   CGU  24          HB2       CGU  24   1.979   7.534   0.714
   72    HG   CGU  24           HG2      CGU  24  -0.309   6.884   1.393
   73    H    LEU  25           HN       LEU  25   2.620   9.370  -1.880
   74    HA   LEU  25           HA       LEU  25   2.157  12.127  -1.524
   75   1HB   LEU  25          HB2       LEU  25   3.918  10.621  -3.446
   76   2HB   LEU  25          HB1       LEU  25   3.858  12.371  -3.405
   77    HG   LEU  25           HG       LEU  25   5.778  11.592  -2.168
   78   1HD1  LEU  25          HD11      LEU  25   5.503  12.850  -0.215
   79   2HD1  LEU  25          HD12      LEU  25   3.785  12.468  -0.104
   80   3HD1  LEU  25          HD13      LEU  25   4.367  13.555  -1.365
   81   1HD2  LEU  25          HD21      LEU  25   5.709  10.094  -0.364
   82   2HD2  LEU  25          HD22      LEU  25   4.702   9.355  -1.609
   83   3HD2  LEU  25          HD23      LEU  25   3.951  10.184  -0.245
   84    H    ASN  26           HN       ASN  26   1.370   9.939  -4.202
   85    HA   ASN  26           HA       ASN  26   0.022  12.162  -5.570
   86   1HB   ASN  26          HB2       ASN  26  -0.049  10.634  -7.542
   87   2HB   ASN  26          HB1       ASN  26   1.581  11.015  -7.003
   88   1HD2  ASN  26          HD21      ASN  26  -0.377   8.592  -8.038
   89   2HD2  ASN  26          HD22      ASN  26   0.473   7.237  -7.386
   90    HA   PRO  27           HA       PRO  27  -3.679  10.462  -3.542
   91   1HB   PRO  27          HB2       PRO  27  -4.819  12.642  -5.225
   92   2HB   PRO  27          HB1       PRO  27  -5.108  12.262  -3.524
   93   1HG   PRO  27          HG2       PRO  27  -3.557  14.308  -4.185
   94   2HG   PRO  27          HG1       PRO  27  -3.121  13.250  -2.829
   95   1HD   PRO  27          HD2       PRO  27  -1.996  13.350  -5.596
   96   2HD   PRO  27          HD1       PRO  27  -1.172  13.071  -4.050
   97    H    ASP  28           HN       ASP  28  -3.038  10.867  -6.959
   98    HA   ASP  28           HA       ASP  28  -5.344   9.968  -8.154
   99   1HB   ASP  28          HB2       ASP  28  -2.487   9.339  -8.927
  100   2HB   ASP  28          HB1       ASP  28  -3.879   9.070  -9.966
  101    H    CYS  29           HN       CYS  29  -2.702   7.970  -6.845
  102    HA   CYS  29           HA       CYS  29  -4.076   5.506  -7.420
  103   1HB   CYS  29          HB2       CYS  29  -2.200   4.446  -6.211
  104   2HB   CYS  29          HB1       CYS  29  -1.652   5.553  -7.465
  105    H    ASP  30           HN       ASP  30  -3.799   7.666  -4.674
  106    HA   ASP  30           HA       ASP  30  -4.585   5.953  -2.610
  107   1HB   ASP  30          HB2       ASP  30  -5.059   8.917  -2.961
  108   2HB   ASP  30          HB1       ASP  30  -5.402   8.042  -1.474
  109    H    GLU  31           HN       GLU  31  -6.439   7.316  -5.202
  110    HA   GLU  31           HA       GLU  31  -8.999   7.458  -4.257
  111   1HB   GLU  31          HB2       GLU  31  -8.365   8.028  -6.549
  112   2HB   GLU  31          HB1       GLU  31  -8.110   6.328  -6.914
  113   1HG   GLU  31          HG2       GLU  31 -10.487   5.892  -6.518
  114   2HG   GLU  31          HG1       GLU  31 -10.736   7.601  -6.172
  115    H    LEU  32           HN       LEU  32  -7.187   4.522  -5.041
  116    HA   LEU  32           HA       LEU  32  -9.289   2.686  -4.995
  117   1HB   LEU  32          HB2       LEU  32  -6.367   2.433  -4.357
  118   2HB   LEU  32          HB1       LEU  32  -7.447   1.065  -4.172
  119    HG   LEU  32           HG       LEU  32  -8.046   1.265  -6.581
  120   1HD1  LEU  32          HD11      LEU  32  -6.549   2.601  -8.027
  121   2HD1  LEU  32          HD12      LEU  32  -5.866   3.344  -6.582
  122   3HD1  LEU  32          HD13      LEU  32  -7.567   3.587  -6.978
  123   1HD2  LEU  32          HD21      LEU  32  -6.060   0.220  -7.395
  124   2HD2  LEU  32          HD22      LEU  32  -6.278  -0.264  -5.714
  125   3HD2  LEU  32          HD23      LEU  32  -5.084   0.966  -6.130
  126    H    ALA  33           HN       ALA  33  -7.213   3.789  -2.317
  127    HA   ALA  33           HA       ALA  33  -8.252   2.213  -0.283
  128   1HB   ALA  33          HB1       ALA  33  -7.371   3.844   1.264
  129   2HB   ALA  33          HB2       ALA  33  -7.288   5.056  -0.015
  130   3HB   ALA  33          HB3       ALA  33  -6.248   3.633  -0.080
  131    H    ASP  34           HN       ASP  34  -9.697   4.969  -1.855
  132    HA   ASP  34           HA       ASP  34 -11.533   5.681   0.178
  133   1HB   ASP  34          HB2       ASP  34 -11.656   6.121  -2.810
  134   2HB   ASP  34          HB1       ASP  34 -12.761   6.850  -1.651
  135    H    HIS  35           HN       HIS  35 -11.721   3.341  -2.486
  136    HA   HIS  35           HA       HIS  35 -13.970   2.092  -1.176
  137   1HB   HIS  35          HB2       HIS  35 -15.380   2.107  -3.269
  138   2HB   HIS  35          HB1       HIS  35 -15.258   3.633  -2.411
  139    HD1  HIS  35           HD1      HIS  35 -16.160   3.779  -5.240
  140    HD2  HIS  35           HD2      HIS  35 -12.137   3.899  -4.211
  141    HE1  HIS  35           HE1      HIS  35 -15.005   4.915  -7.161
  142    HE2  HIS  35           HE2      HIS  35 -12.561   4.886  -6.559
  143    H    ILE  36           HN       ILE  36 -11.867   2.043  -4.059
  144    HA   ILE  36           HA       ILE  36 -12.223  -0.866  -4.190
  145    HB   ILE  36           HB       ILE  36 -11.125  -0.725  -6.404
  146   1HG1  ILE  36          HG12      ILE  36 -11.280   2.266  -5.966
  147   2HG1  ILE  36          HG11      ILE  36  -9.800   1.316  -6.015
  148   1HG2  ILE  36          HG21      ILE  36 -13.603  -0.593  -6.064
  149   2HG2  ILE  36          HG22      ILE  36 -13.019   0.113  -7.571
  150   3HG2  ILE  36          HG23      ILE  36 -13.464   1.158  -6.222
  151   1HD1  ILE  36          HD11      ILE  36  -9.855   2.175  -8.129
  152   2HD1  ILE  36          HD12      ILE  36 -11.615   2.111  -8.229
  153   3HD1  ILE  36          HD13      ILE  36 -10.667   0.630  -8.376
  154    H    GLY  37           HN       GLY  37 -10.828  -0.518  -2.061
  155   1HA   GLY  37          HA2       GLY  37  -8.022  -0.117  -2.423
  156   2HA   GLY  37          HA1       GLY  37  -8.806  -0.751  -0.984
  157    H    PHE  38           HN       PHE  38  -7.707  -1.628  -4.233
  158    HA   PHE  38           HA       PHE  38  -7.716  -4.455  -3.518
  159   1HB   PHE  38          HB2       PHE  38  -6.932  -3.182  -6.145
  160   2HB   PHE  38          HB1       PHE  38  -7.246  -4.887  -5.853
  161    HD1  PHE  38           HD1      PHE  38  -9.729  -4.816  -4.310
  162    HD2  PHE  38           HD2      PHE  38  -8.515  -2.493  -7.658
  163    HE1  PHE  38           HE1      PHE  38 -12.087  -4.493  -4.934
  164    HE2  PHE  38           HE2      PHE  38 -10.869  -2.158  -8.287
  165    HZ   PHE  38           HZ       PHE  38 -12.659  -3.160  -6.924
  166    H    GLN  39           HN       GLN  39  -5.483  -1.811  -4.078
  167    HA   GLN  39           HA       GLN  39  -3.254  -1.583  -3.698
  168   1HB   GLN  39          HB2       GLN  39  -3.479  -4.302  -2.386
  169   2HB   GLN  39          HB1       GLN  39  -2.106  -3.213  -2.253
  170   1HG   GLN  39          HG2       GLN  39  -3.459  -1.584  -1.097
  171   2HG   GLN  39          HG1       GLN  39  -4.894  -2.581  -1.313
  172   1HE2  GLN  39          HE21      GLN  39  -2.493  -4.749  -0.736
  173   2HE2  GLN  39          HE22      GLN  39  -2.621  -4.870   0.979
  174    H    GLU  40           HN       GLU  40  -4.412  -3.034  -6.077
  175    HA   GLU  40           HA       GLU  40  -2.065  -4.609  -6.884
  176   1HB   GLU  40          HB2       GLU  40  -3.495  -5.563  -8.629
  177   2HB   GLU  40          HB1       GLU  40  -4.189  -5.803  -7.032
  178   1HG   GLU  40          HG2       GLU  40  -5.731  -3.957  -7.409
  179   2HG   GLU  40          HG1       GLU  40  -5.022  -3.677  -8.997
  180    H    ALA  41           HN       ALA  41  -4.003  -1.800  -7.714
  181    HA   ALA  41           HA       ALA  41  -3.129  -1.309 -10.303
  182   1HB   ALA  41          HB1       ALA  41  -3.801   0.976  -9.964
  183   2HB   ALA  41          HB2       ALA  41  -3.727   0.778  -8.213
  184   3HB   ALA  41          HB3       ALA  41  -4.946  -0.088  -9.147
  185    H    TYR  42           HN       TYR  42  -1.593  -0.467  -7.229
  186    HA   TYR  42           HA       TYR  42   0.336   1.293  -7.838
  187   1HB   TYR  42          HB2       TYR  42   0.078   0.345  -5.619
  188   2HB   TYR  42          HB1       TYR  42   0.697  -1.204  -6.176
  189    HD1  TYR  42           HD1      TYR  42   3.128  -1.228  -7.077
  190    HD2  TYR  42           HD2      TYR  42   1.527   1.925  -4.711
  191    HE1  TYR  42           HE1      TYR  42   5.406  -0.529  -6.477
  192    HE2  TYR  42           HE2      TYR  42   3.800   2.632  -4.103
  193    HH   TYR  42           HH       TYR  42   6.244   1.125  -4.051
  194    H    ARG  43           HN       ARG  43   0.894  -2.228  -8.259
  195    HA   ARG  43           HA       ARG  43   3.412  -2.031  -9.401
  196   1HB   ARG  43          HB2       ARG  43   2.984  -4.279 -10.374
  197   2HB   ARG  43          HB1       ARG  43   2.624  -4.157  -8.660
  198   1HG   ARG  43          HG2       ARG  43   0.283  -4.090  -9.084
  199   2HG   ARG  43          HG1       ARG  43   0.545  -3.961 -10.823
  200   1HD   ARG  43          HD2       ARG  43   1.318  -6.312  -9.095
  201   2HD   ARG  43          HD1       ARG  43  -0.108  -6.233 -10.129
  202    HE   ARG  43           HE       ARG  43   2.518  -6.892 -10.932
  203   1HH1  ARG  43          HH11      ARG  43  -0.321  -5.160 -12.046
  204   2HH1  ARG  43          HH12      ARG  43   0.087  -5.328 -13.719
  205   1HH2  ARG  43          HH21      ARG  43   3.041  -7.110 -13.138
  206   2HH2  ARG  43          HH22      ARG  43   1.991  -6.436 -14.340
  207    H    ARG  44           HN       ARG  44   0.282  -1.689 -10.974
  208    HA   ARG  44           HA       ARG  44   1.089  -1.954 -13.633
  209   1HB   ARG  44          HB2       ARG  44  -1.129  -0.303 -12.428
  210   2HB   ARG  44          HB1       ARG  44  -0.914  -0.527 -14.157
  211   1HG   ARG  44          HG2       ARG  44  -1.225  -2.917 -13.919
  212   2HG   ARG  44          HG1       ARG  44  -1.362  -2.742 -12.169
  213   1HD   ARG  44          HD2       ARG  44  -3.384  -1.469 -12.396
  214   2HD   ARG  44          HD1       ARG  44  -3.204  -1.412 -14.148
  215    HE   ARG  44           HE       ARG  44  -4.256  -3.421 -14.239
  216   1HH1  ARG  44          HH11      ARG  44  -2.841  -3.145 -11.044
  217   2HH1  ARG  44          HH12      ARG  44  -3.455  -4.671 -10.512
  218   1HH2  ARG  44          HH21      ARG  44  -5.060  -5.425 -13.524
  219   2HH2  ARG  44          HH22      ARG  44  -4.717  -5.963 -11.914
  220    H    PHE  45           HN       PHE  45   1.190   0.908 -11.526
  221    HA   PHE  45           HA       PHE  45   2.594   2.308 -13.700
  222   1HB   PHE  45          HB2       PHE  45   1.925   4.438 -12.518
  223   2HB   PHE  45          HB1       PHE  45   0.625   3.535 -13.278
  224    HD1  PHE  45           HD1      PHE  45  -0.676   1.901 -11.691
  225    HD2  PHE  45           HD2      PHE  45   1.664   5.197 -10.365
  226    HE1  PHE  45           HE1      PHE  45  -1.930   1.938  -9.578
  227    HE2  PHE  45           HE2      PHE  45   0.413   5.233  -8.246
  228    HZ   PHE  45           HZ       PHE  45  -1.386   3.602  -7.854
  229    H    TYR  46           HN       TYR  46   3.662   0.509 -11.499
  230    HA   TYR  46           HA       TYR  46   5.851   2.292 -10.731
  231   1HB   TYR  46          HB2       TYR  46   4.155   0.703  -8.839
  232   2HB   TYR  46          HB1       TYR  46   5.863   0.923  -8.485
  233    HD1  TYR  46           HD1      TYR  46   2.843   2.939  -9.395
  234    HD2  TYR  46           HD2      TYR  46   6.507   2.747  -7.247
  235    HE1  TYR  46           HE1      TYR  46   2.370   5.134  -8.394
  236    HE2  TYR  46           HE2      TYR  46   6.041   4.938  -6.240
  237    HH   TYR  46           HH       TYR  46   3.203   6.312  -6.052
  238    H    GLY  47           HN       GLY  47   4.802  -1.080 -10.240
  239   1HA   GLY  47          HA2       GLY  47   6.466  -2.362 -11.997
  240   2HA   GLY  47          HA1       GLY  47   7.450  -2.113 -10.563
  241    HA   PRO  48           HA       PRO  48   4.149  -5.827 -10.505
  242   1HB   PRO  48          HB2       PRO  48   6.683  -7.315 -11.064
  243   2HB   PRO  48          HB1       PRO  48   5.024  -7.701 -11.537
  244   1HG   PRO  48          HG2       PRO  48   6.721  -6.656 -13.298
  245   2HG   PRO  48          HG1       PRO  48   5.019  -6.159 -13.271
  246   1HD   PRO  48          HD2       PRO  48   7.436  -4.696 -12.334
  247   2HD   PRO  48          HD1       PRO  48   5.930  -4.065 -13.028
  248    H    VAL  49           HN       VAL  49   3.812  -5.830  -8.360
  249    HA   VAL  49           HA       VAL  49   6.046  -6.614  -6.601
  250    HB   VAL  49           HB       VAL  49   4.953  -5.352  -4.779
  251   1HG1  VAL  49          HG11      VAL  49   6.145  -3.526  -5.287
  252   2HG1  VAL  49          HG12      VAL  49   5.233  -3.224  -6.766
  253   3HG1  VAL  49          HG13      VAL  49   6.556  -4.390  -6.769
  254   1HG2  VAL  49          HG21      VAL  49   3.149  -3.832  -5.184
  255   2HG2  VAL  49          HG22      VAL  49   2.657  -5.421  -5.768
  256   3HG2  VAL  49          HG23      VAL  49   3.172  -4.182  -6.912
  Start of MODEL   11
    1    H    LEU  16           HN       LEU  16  -3.725  -1.677   5.155
    2    HA   LEU  16           HA       LEU  16  -3.759  -1.210   2.368
    3   1HB   LEU  16          HB2       LEU  16  -6.097  -1.897   2.573
    4   2HB   LEU  16          HB1       LEU  16  -6.354  -0.700   3.827
    5    HG   LEU  16           HG       LEU  16  -5.941   1.097   2.194
    6   1HD1  LEU  16          HD11      LEU  16  -5.985   0.395  -0.249
    7   2HD1  LEU  16          HD12      LEU  16  -5.551  -1.217   0.319
    8   3HD1  LEU  16          HD13      LEU  16  -4.474   0.145   0.626
    9   1HD2  LEU  16          HD21      LEU  16  -7.973   0.484   0.687
   10   2HD2  LEU  16          HD22      LEU  16  -8.201   0.693   2.424
   11   3HD2  LEU  16          HD23      LEU  16  -8.090  -0.928   1.738
   12   1HN   CGU  17          HN        CGU  17  -4.872   0.194   5.436
   13    HA   CGU  17           HA       CGU  17  -4.646   2.198   6.413
   14   1HB   CGU  17          HB1       CGU  17  -2.416   1.260   6.820
   15   2HB   CGU  17          HB2       CGU  17  -2.357   3.016   6.694
   16    HG   CGU  17           HG2      CGU  17  -1.675   1.110   4.440
   17    HA   PRO  18           HA       PRO  18  -5.251   5.585   3.690
   18   1HB   PRO  18          HB2       PRO  18  -5.022   7.681   5.325
   19   2HB   PRO  18          HB1       PRO  18  -6.269   6.455   5.573
   20   1HG   PRO  18          HG2       PRO  18  -3.709   6.876   7.034
   21   2HG   PRO  18          HG1       PRO  18  -5.274   6.316   7.645
   22   1HD   PRO  18          HD2       PRO  18  -3.072   4.705   6.968
   23   2HD   PRO  18          HD1       PRO  18  -4.728   4.148   7.272
   24    H    LYS  19           HN       LYS  19  -3.344   5.230   2.325
   25    HA   LYS  19           HA       LYS  19  -1.611   7.559   2.349
   26   1HB   LYS  19          HB2       LYS  19  -0.434   5.778   3.687
   27   2HB   LYS  19          HB1       LYS  19  -0.402   4.789   2.236
   28   1HG   LYS  19          HG2       LYS  19   1.726   5.886   2.577
   29   2HG   LYS  19          HG1       LYS  19   0.953   6.488   1.111
   30   1HD   LYS  19          HD2       LYS  19   0.262   8.499   2.233
   31   2HD   LYS  19          HD1       LYS  19   0.826   7.877   3.785
   32   1HE   LYS  19          HE2       LYS  19   2.423   9.467   2.909
   33   2HE   LYS  19          HE1       LYS  19   3.128   7.852   2.915
   34   1HZ   LYS  19          HZ1       LYS  19   2.299   7.799   0.482
   35   2HZ   LYS  19          HZ2       LYS  19   3.709   8.654   0.851
   36   3HZ   LYS  19          HZ3       LYS  19   2.254   9.484   0.625
   37    H    ARG  20           HN       ARG  20  -3.780   6.610   0.664
   38    HA   ARG  20           HA       ARG  20  -2.490   5.725  -1.787
   39   1HB   ARG  20          HB2       ARG  20  -5.366   6.140  -1.010
   40   2HB   ARG  20          HB1       ARG  20  -4.891   5.843  -2.675
   41   1HG   ARG  20          HG2       ARG  20  -5.586   3.780  -1.678
   42   2HG   ARG  20          HG1       ARG  20  -3.848   3.720  -1.965
   43   1HD   ARG  20          HD2       ARG  20  -4.380   2.782   0.210
   44   2HD   ARG  20          HD1       ARG  20  -3.449   4.265   0.394
   45    HE   ARG  20           HE       ARG  20  -5.208   5.154   1.534
   46   1HH1  ARG  20          HH11      ARG  20  -6.420   2.475  -0.369
   47   2HH1  ARG  20          HH12      ARG  20  -8.029   2.605   0.255
   48   1HH2  ARG  20          HH21      ARG  20  -7.325   5.316   2.349
   49   2HH2  ARG  20          HH22      ARG  20  -8.544   4.217   1.796
   50   1HN   CGU  21          HN        CGU  21  -2.572   8.625  -0.409
   51    HA   CGU  21           HA       CGU  21  -3.667  10.336  -2.351
   52   1HB   CGU  21          HB1       CGU  21  -1.795  11.978  -1.361
   53   2HB   CGU  21          HB2       CGU  21  -3.258  11.580  -0.461
   54    HG   CGU  21           HG2      CGU  21  -2.034   9.812   0.746
   55    H    VAL  22           HN       VAL  22  -0.732   8.507  -2.332
   56    HA   VAL  22           HA       VAL  22   0.621  10.061  -4.338
   57    HB   VAL  22           HB       VAL  22   1.136   7.210  -3.459
   58   1HG1  VAL  22          HG11      VAL  22   2.223   7.381  -5.494
   59   2HG1  VAL  22          HG12      VAL  22   3.481   7.868  -4.358
   60   3HG1  VAL  22          HG13      VAL  22   2.595   9.090  -5.271
   61   1HG2  VAL  22          HG21      VAL  22   3.160   8.561  -2.382
   62   2HG2  VAL  22          HG22      VAL  22   1.634   8.315  -1.535
   63   3HG2  VAL  22          HG23      VAL  22   1.948   9.842  -2.360
   64    H    CYS  23           HN       CYS  23  -1.160   6.976  -4.278
   65    HA   CYS  23           HA       CYS  23  -0.935   6.308  -6.972
   66   1HB   CYS  23          HB2       CYS  23  -1.811   4.748  -5.317
   67   2HB   CYS  23          HB1       CYS  23  -3.224   5.767  -5.067
   68   1HN   CGU  24          HN        CGU  24  -3.367   8.309  -5.329
   69    HA   CGU  24           HA       CGU  24  -5.053   8.794  -7.499
   70   1HB   CGU  24          HB1       CGU  24  -5.674  10.903  -6.250
   71   2HB   CGU  24          HB2       CGU  24  -4.394  10.513  -5.096
   72    HG   CGU  24           HG2      CGU  24  -5.481   8.339  -4.647
   73    H    LEU  25           HN       LEU  25  -1.966  10.232  -6.655
   74    HA   LEU  25           HA       LEU  25  -2.121  12.461  -8.400
   75   1HB   LEU  25          HB2       LEU  25  -0.549  12.261  -6.481
   76   2HB   LEU  25          HB1       LEU  25   0.341  11.043  -7.372
   77    HG   LEU  25           HG       LEU  25   1.411  13.275  -7.416
   78   1HD1  LEU  25          HD11      LEU  25   1.402  11.483  -9.347
   79   2HD1  LEU  25          HD12      LEU  25   2.185  13.050  -9.547
   80   3HD1  LEU  25          HD13      LEU  25   0.580  12.774 -10.224
   81   1HD2  LEU  25          HD21      LEU  25  -0.822  14.490  -7.469
   82   2HD2  LEU  25          HD22      LEU  25  -0.838  14.157  -9.201
   83   3HD2  LEU  25          HD23      LEU  25   0.459  15.126  -8.501
   84    H    ASN  26           HN       ASN  26  -0.421   9.321  -8.737
   85    HA   ASN  26           HA       ASN  26   0.073   9.852 -11.541
   86   1HB   ASN  26          HB2       ASN  26   1.248   7.694 -11.549
   87   2HB   ASN  26          HB1       ASN  26   1.810   8.728 -10.242
   88   1HD2  ASN  26          HD21      ASN  26   0.947   5.660 -11.019
   89   2HD2  ASN  26          HD22      ASN  26   0.548   5.064  -9.448
   90    HA   PRO  27           HA       PRO  27  -3.940   8.165 -12.673
   91   1HB   PRO  27          HB2       PRO  27  -2.777   8.433 -15.385
   92   2HB   PRO  27          HB1       PRO  27  -4.290   9.075 -14.738
   93   1HG   PRO  27          HG2       PRO  27  -2.207  10.677 -15.182
   94   2HG   PRO  27          HG1       PRO  27  -3.250  10.906 -13.766
   95   1HD   PRO  27          HD2       PRO  27  -0.538   9.649 -13.939
   96   2HD   PRO  27          HD1       PRO  27  -1.200  10.739 -12.703
   97    H    ASP  28           HN       ASP  28  -0.812   6.850 -13.389
   98    HA   ASP  28           HA       ASP  28  -1.361   4.690 -15.011
   99   1HB   ASP  28          HB2       ASP  28   0.548   4.746 -12.663
  100   2HB   ASP  28          HB1       ASP  28   0.588   3.591 -13.991
  101    H    CYS  29           HN       CYS  29  -1.462   4.728 -11.436
  102    HA   CYS  29           HA       CYS  29  -2.607   2.093 -11.323
  103   1HB   CYS  29          HB2       CYS  29  -2.736   2.479  -8.896
  104   2HB   CYS  29          HB1       CYS  29  -1.138   2.850  -9.533
  105    H    ASP  30           HN       ASP  30  -3.832   5.387 -11.252
  106    HA   ASP  30           HA       ASP  30  -6.404   4.862 -10.235
  107   1HB   ASP  30          HB2       ASP  30  -5.500   7.014 -12.160
  108   2HB   ASP  30          HB1       ASP  30  -7.058   6.990 -11.343
  109    H    GLU  31           HN       GLU  31  -5.026   4.454 -13.423
  110    HA   GLU  31           HA       GLU  31  -7.343   4.286 -14.970
  111   1HB   GLU  31          HB2       GLU  31  -5.068   4.407 -15.899
  112   2HB   GLU  31          HB1       GLU  31  -4.747   2.780 -15.318
  113   1HG   GLU  31          HG2       GLU  31  -6.487   1.906 -16.793
  114   2HG   GLU  31          HG1       GLU  31  -6.813   3.538 -17.372
  115    H    LEU  32           HN       LEU  32  -6.093   2.085 -12.615
  116    HA   LEU  32           HA       LEU  32  -7.028  -0.376 -13.457
  117   1HB   LEU  32          HB2       LEU  32  -5.646   0.043 -11.442
  118   2HB   LEU  32          HB1       LEU  32  -7.058   0.699 -10.637
  119    HG   LEU  32           HG       LEU  32  -8.161  -1.531 -10.886
  120   1HD1  LEU  32          HD11      LEU  32  -7.177  -2.715 -12.562
  121   2HD1  LEU  32          HD12      LEU  32  -6.288  -3.375 -11.190
  122   3HD1  LEU  32          HD13      LEU  32  -5.560  -2.118 -12.190
  123   1HD2  LEU  32          HD21      LEU  32  -6.613  -0.641  -8.930
  124   2HD2  LEU  32          HD22      LEU  32  -5.625  -2.016  -9.425
  125   3HD2  LEU  32          HD23      LEU  32  -7.295  -2.267  -8.916
  126    H    ALA  33           HN       ALA  33  -8.813   2.253 -11.894
  127    HA   ALA  33           HA       ALA  33 -11.192   0.924 -11.311
  128   1HB   ALA  33          HB1       ALA  33 -10.675   3.153 -10.479
  129   2HB   ALA  33          HB2       ALA  33 -12.240   3.128 -11.293
  130   3HB   ALA  33          HB3       ALA  33 -10.832   3.806 -12.110
  131    H    ASP  34           HN       ASP  34  -9.926   1.865 -14.380
  132    HA   ASP  34           HA       ASP  34 -12.152   2.286 -15.934
  133   1HB   ASP  34          HB2       ASP  34  -9.812   2.493 -16.713
  134   2HB   ASP  34          HB1       ASP  34  -9.675   0.739 -16.729
  135    H    HIS  35           HN       HIS  35 -10.727  -0.885 -15.061
  136    HA   HIS  35           HA       HIS  35 -13.216  -2.100 -16.058
  137   1HB   HIS  35          HB2       HIS  35 -11.952  -4.131 -16.605
  138   2HB   HIS  35          HB1       HIS  35 -11.380  -2.728 -17.493
  139    HD1  HIS  35           HD1      HIS  35  -9.398  -4.783 -17.581
  140    HD2  HIS  35           HD2      HIS  35  -9.692  -2.365 -14.219
  141    HE1  HIS  35           HE1      HIS  35  -7.170  -4.953 -16.432
  142    HE2  HIS  35           HE2      HIS  35  -7.402  -3.552 -14.354
  143    H    ILE  36           HN       ILE  36 -11.209  -1.789 -13.248
  144    HA   ILE  36           HA       ILE  36 -13.032  -3.618 -11.884
  145    HB   ILE  36           HB       ILE  36 -11.237  -4.714 -10.618
  146   1HG1  ILE  36          HG12      ILE  36  -9.394  -3.278 -12.542
  147   2HG1  ILE  36          HG11      ILE  36  -9.460  -3.067 -10.797
  148   1HG2  ILE  36          HG21      ILE  36 -10.641  -6.286 -12.290
  149   2HG2  ILE  36          HG22      ILE  36 -10.817  -5.086 -13.571
  150   3HG2  ILE  36          HG23      ILE  36 -12.239  -5.666 -12.705
  151   1HD1  ILE  36          HD11      ILE  36  -8.048  -5.037 -12.373
  152   2HD1  ILE  36          HD12      ILE  36  -9.015  -5.765 -11.090
  153   3HD1  ILE  36          HD13      ILE  36  -7.811  -4.538 -10.699
  154    H    GLY  37           HN       GLY  37 -10.219  -1.478 -11.222
  155   1HA   GLY  37          HA2       GLY  37  -9.927   0.149  -9.637
  156   2HA   GLY  37          HA1       GLY  37 -11.675   0.298  -9.610
  157    H    PHE  38           HN       PHE  38  -9.224  -2.065  -8.496
  158    HA   PHE  38           HA       PHE  38 -10.718  -2.263  -5.965
  159   1HB   PHE  38          HB2       PHE  38  -8.975  -4.267  -7.393
  160   2HB   PHE  38          HB1       PHE  38  -9.441  -4.459  -5.708
  161    HD1  PHE  38           HD1      PHE  38 -11.130  -3.611  -8.931
  162    HD2  PHE  38           HD2      PHE  38 -11.177  -5.888  -5.342
  163    HE1  PHE  38           HE1      PHE  38 -13.233  -4.670  -9.638
  164    HE2  PHE  38           HE2      PHE  38 -13.282  -6.955  -6.040
  165    HZ   PHE  38           HZ       PHE  38 -14.313  -6.346  -8.192
  166    H    GLN  39           HN       GLN  39  -8.357  -0.450  -6.965
  167    HA   GLN  39           HA       GLN  39  -6.528   0.546  -6.079
  168   1HB   GLN  39          HB2       GLN  39  -7.588  -0.627  -3.502
  169   2HB   GLN  39          HB1       GLN  39  -6.359   0.626  -3.617
  170   1HG   GLN  39          HG2       GLN  39  -7.998   2.084  -4.743
  171   2HG   GLN  39          HG1       GLN  39  -9.223   0.838  -4.516
  172   1HE2  GLN  39          HE21      GLN  39  -8.156   3.665  -3.333
  173   2HE2  GLN  39          HE22      GLN  39  -8.658   3.519  -1.687
  174    H    GLU  40           HN       GLU  40  -6.394  -2.336  -6.952
  175    HA   GLU  40           HA       GLU  40  -4.304  -3.471  -5.301
  176   1HB   GLU  40          HB2       GLU  40  -4.343  -5.334  -6.904
  177   2HB   GLU  40          HB1       GLU  40  -5.950  -4.967  -6.295
  178   1HG   GLU  40          HG2       GLU  40  -6.462  -3.765  -8.354
  179   2HG   GLU  40          HG1       GLU  40  -4.848  -4.115  -8.965
  180    H    ALA  41           HN       ALA  41  -4.455  -1.249  -7.849
  181    HA   ALA  41           HA       ALA  41  -1.994  -1.935  -9.144
  182   1HB   ALA  41          HB1       ALA  41  -2.275   0.227 -10.300
  183   2HB   ALA  41          HB2       ALA  41  -3.665   0.569  -9.270
  184   3HB   ALA  41          HB3       ALA  41  -3.712  -0.791 -10.392
  185    H    TYR  42           HN       TYR  42  -2.841  -0.171  -6.304
  186    HA   TYR  42           HA       TYR  42  -0.732   1.671  -6.165
  187   1HB   TYR  42          HB2       TYR  42  -2.700   1.769  -4.702
  188   2HB   TYR  42          HB1       TYR  42  -2.190   0.286  -3.906
  189    HD1  TYR  42           HD1      TYR  42   0.240   0.380  -2.861
  190    HD2  TYR  42           HD2      TYR  42  -2.144   3.791  -3.734
  191    HE1  TYR  42           HE1      TYR  42   1.543   1.693  -1.247
  192    HE2  TYR  42           HE2      TYR  42  -0.844   5.116  -2.125
  193    HH   TYR  42           HH       TYR  42   0.717   4.202   0.175
  194    H    ARG  43           HN       ARG  43  -0.962  -1.664  -4.938
  195    HA   ARG  43           HA       ARG  43   1.603  -1.711  -3.753
  196   1HB   ARG  43          HB2       ARG  43   1.336  -4.144  -3.678
  197   2HB   ARG  43          HB1       ARG  43  -0.107  -3.316  -3.122
  198   1HG   ARG  43          HG2       ARG  43  -1.174  -3.718  -5.279
  199   2HG   ARG  43          HG1       ARG  43   0.276  -4.553  -5.840
  200   1HD   ARG  43          HD2       ARG  43  -1.449  -5.375  -3.505
  201   2HD   ARG  43          HD1       ARG  43  -1.451  -6.125  -5.100
  202    HE   ARG  43           HE       ARG  43   1.162  -6.202  -4.121
  203   1HH1  ARG  43          HH11      ARG  43  -1.965  -7.580  -3.359
  204   2HH1  ARG  43          HH12      ARG  43  -1.298  -9.016  -2.660
  205   1HH2  ARG  43          HH21      ARG  43   2.035  -8.095  -3.199
  206   2HH2  ARG  43          HH22      ARG  43   0.973  -9.309  -2.569
  207    H    ARG  44           HN       ARG  44   0.597  -2.022  -7.046
  208    HA   ARG  44           HA       ARG  44   2.644  -3.582  -8.117
  209   1HB   ARG  44          HB2       ARG  44   1.223  -1.235  -9.388
  210   2HB   ARG  44          HB1       ARG  44   2.175  -2.435 -10.251
  211   1HG   ARG  44          HG2       ARG  44   0.621  -4.178  -9.604
  212   2HG   ARG  44          HG1       ARG  44  -0.314  -3.017  -8.660
  213   1HD   ARG  44          HD2       ARG  44  -0.767  -1.746 -10.721
  214   2HD   ARG  44          HD1       ARG  44   0.115  -2.962 -11.645
  215    HE   ARG  44           HE       ARG  44  -1.868  -4.279 -10.196
  216   1HH1  ARG  44          HH11      ARG  44  -1.658  -1.935 -12.789
  217   2HH1  ARG  44          HH12      ARG  44  -3.149  -2.428 -13.519
  218   1HH2  ARG  44          HH21      ARG  44  -3.829  -4.922 -11.160
  219   2HH2  ARG  44          HH22      ARG  44  -4.381  -4.125 -12.595
  220    H    PHE  45           HN       PHE  45   2.622  -0.177  -7.203
  221    HA   PHE  45           HA       PHE  45   5.464  -0.039  -7.944
  222   1HB   PHE  45          HB2       PHE  45   5.190   2.428  -8.095
  223   2HB   PHE  45          HB1       PHE  45   4.252   1.539  -9.283
  224    HD1  PHE  45           HD1      PHE  45   1.755   1.021  -8.508
  225    HD2  PHE  45           HD2      PHE  45   4.188   4.171  -7.006
  226    HE1  PHE  45           HE1      PHE  45  -0.261   2.250  -7.829
  227    HE2  PHE  45           HE2      PHE  45   2.172   5.404  -6.321
  228    HZ   PHE  45           HZ       PHE  45  -0.055   4.443  -6.733
  229    H    TYR  46           HN       TYR  46   4.146  -0.966  -5.407
  230    HA   TYR  46           HA       TYR  46   5.794   0.636  -3.599
  231   1HB   TYR  46          HB2       TYR  46   2.859   0.177  -3.352
  232   2HB   TYR  46          HB1       TYR  46   3.822   0.130  -1.879
  233    HD1  TYR  46           HD1      TYR  46   3.242   2.285  -4.879
  234    HD2  TYR  46           HD2      TYR  46   4.240   2.095  -0.748
  235    HE1  TYR  46           HE1      TYR  46   3.205   4.740  -4.759
  236    HE2  TYR  46           HE2      TYR  46   4.200   4.548  -0.618
  237    HH   TYR  46           HH       TYR  46   4.547   6.512  -2.829
  238    H    GLY  47           HN       GLY  47   3.532  -2.123  -3.324
  239   1HA   GLY  47          HA2       GLY  47   4.876  -4.333  -3.310
  240   2HA   GLY  47          HA1       GLY  47   5.642  -3.600  -1.910
  241    HA   PRO  48           HA       PRO  48   2.371  -5.296   0.528
  242   1HB   PRO  48          HB2       PRO  48   2.489  -3.787   2.739
  243   2HB   PRO  48          HB1       PRO  48   3.821  -4.855   2.278
  244   1HG   PRO  48          HG2       PRO  48   3.558  -1.896   1.939
  245   2HG   PRO  48          HG1       PRO  48   4.975  -2.848   2.417
  246   1HD   PRO  48          HD2       PRO  48   4.511  -1.889  -0.133
  247   2HD   PRO  48          HD1       PRO  48   5.564  -3.262   0.253
  248    H    VAL  49           HN       VAL  49   0.732  -4.552  -1.072
  249    HA   VAL  49           HA       VAL  49  -1.373  -3.775  -1.447
  250    HB   VAL  49           HB       VAL  49  -1.191  -2.431   1.256
  251   1HG1  VAL  49          HG11      VAL  49  -3.424  -2.843  -0.695
  252   2HG1  VAL  49          HG12      VAL  49  -2.955  -1.381   0.173
  253   3HG1  VAL  49          HG13      VAL  49  -3.751  -2.699   1.032
  254   1HG2  VAL  49          HG21      VAL  49  -0.898  -4.907   1.310
  255   2HG2  VAL  49          HG22      VAL  49  -2.485  -5.063   0.557
  256   3HG2  VAL  49          HG23      VAL  49  -2.336  -4.336   2.157
  Start of MODEL   12
    1    H    LEU  16           HN       LEU  16   2.101  -5.823   3.146
    2    HA   LEU  16           HA       LEU  16   1.567  -4.494   0.607
    3   1HB   LEU  16          HB2       LEU  16  -0.587  -5.461   1.413
    4   2HB   LEU  16          HB1       LEU  16  -0.439  -4.502   2.869
    5    HG   LEU  16           HG       LEU  16  -2.018  -3.559   1.202
    6   1HD1  LEU  16          HD11      LEU  16  -0.660  -2.188   2.881
    7   2HD1  LEU  16          HD12      LEU  16  -1.419  -1.332   1.539
    8   3HD1  LEU  16          HD13      LEU  16   0.306  -1.691   1.493
    9   1HD2  LEU  16          HD21      LEU  16  -0.615  -4.307  -0.767
   10   2HD2  LEU  16          HD22      LEU  16   0.399  -2.900  -0.455
   11   3HD2  LEU  16          HD23      LEU  16  -1.303  -2.687  -0.864
   12   1HN   CGU  17          HN        CGU  17   0.893  -3.690   4.023
   13    HA   CGU  17           HA       CGU  17   1.646  -2.054   5.395
   14   1HB   CGU  17          HB1       CGU  17   4.027  -1.070   4.427
   15   2HB   CGU  17          HB2       CGU  17   3.991  -2.701   3.750
   16    HG   CGU  17           HG2      CGU  17   3.592  -1.997   6.670
   17    HA   PRO  18           HA       PRO  18  -0.097   1.548   3.469
   18   1HB   PRO  18          HB2       PRO  18   0.445   3.310   5.514
   19   2HB   PRO  18          HB1       PRO  18  -0.932   2.204   5.488
   20   1HG   PRO  18          HG2       PRO  18   1.708   1.911   6.863
   21   2HG   PRO  18          HG1       PRO  18   0.085   1.512   7.456
   22   1HD   PRO  18          HD2       PRO  18   1.756  -0.383   6.555
   23   2HD   PRO  18          HD1       PRO  18   0.006  -0.478   6.270
   24    H    LYS  19           HN       LYS  19   1.155   2.143   1.767
   25    HA   LYS  19           HA       LYS  19   3.354   3.999   2.328
   26   1HB   LYS  19          HB2       LYS  19   4.741   2.969   0.571
   27   2HB   LYS  19          HB1       LYS  19   4.428   1.861   1.900
   28   1HG   LYS  19          HG2       LYS  19   2.727   0.730   0.585
   29   2HG   LYS  19          HG1       LYS  19   2.979   1.864  -0.742
   30   1HD   LYS  19          HD2       LYS  19   4.152  -0.195  -1.205
   31   2HD   LYS  19          HD1       LYS  19   5.322   1.091  -0.908
   32   1HE   LYS  19          HE2       LYS  19   5.617   0.291   1.385
   33   2HE   LYS  19          HE1       LYS  19   4.440  -0.989   1.093
   34   1HZ   LYS  19          HZ1       LYS  19   5.904  -1.903  -0.596
   35   2HZ   LYS  19          HZ2       LYS  19   6.705  -1.801   0.890
   36   3HZ   LYS  19          HZ3       LYS  19   7.031  -0.670  -0.325
   37    H    ARG  20           HN       ARG  20   0.525   4.252   1.358
   38    HA   ARG  20           HA       ARG  20   0.940   5.228  -1.367
   39   1HB   ARG  20          HB2       ARG  20  -1.500   4.589   0.255
   40   2HB   ARG  20          HB1       ARG  20  -1.626   5.630  -1.155
   41   1HG   ARG  20          HG2       ARG  20  -2.166   3.362  -1.752
   42   2HG   ARG  20          HG1       ARG  20  -0.667   3.849  -2.541
   43   1HD   ARG  20          HD2       ARG  20   0.606   2.677  -0.790
   44   2HD   ARG  20          HD1       ARG  20  -0.911   2.152  -0.059
   45    HE   ARG  20           HE       ARG  20  -0.906   1.358  -2.741
   46   1HH1  ARG  20          HH11      ARG  20   0.763   0.625   0.243
   47   2HH1  ARG  20          HH12      ARG  20   1.158  -0.991  -0.230
   48   1HH2  ARG  20          HH21      ARG  20  -0.394  -0.774  -3.359
   49   2HH2  ARG  20          HH22      ARG  20   0.500  -1.787  -2.277
   50   1HN   CGU  21          HN        CGU  21   2.137   6.668   0.836
   51    HA   CGU  21           HA       CGU  21   0.605   8.959   1.508
   52   1HB   CGU  21          HB1       CGU  21   3.595   8.466   1.506
   53   2HB   CGU  21          HB2       CGU  21   2.855   9.951   2.111
   54    HG   CGU  21           HG2      CGU  21   2.260   7.157   3.121
   55    H    VAL  22           HN       VAL  22   2.880   8.206  -1.077
   56    HA   VAL  22           HA       VAL  22   2.608  10.858  -2.253
   57    HB   VAL  22           HB       VAL  22   4.140   8.461  -3.280
   58   1HG1  VAL  22          HG11      VAL  22   5.375  10.199  -4.586
   59   2HG1  VAL  22          HG12      VAL  22   4.149  11.364  -4.084
   60   3HG1  VAL  22          HG13      VAL  22   3.695   9.973  -5.070
   61   1HG2  VAL  22          HG21      VAL  22   5.066   9.075  -1.165
   62   2HG2  VAL  22          HG22      VAL  22   5.032  10.788  -1.586
   63   3HG2  VAL  22          HG23      VAL  22   6.137   9.696  -2.422
   64    H    CYS  23           HN       CYS  23   1.640   7.512  -2.856
   65    HA   CYS  23           HA       CYS  23   0.622   7.857  -5.449
   66   1HB   CYS  23          HB2       CYS  23   1.054   5.649  -4.399
   67   2HB   CYS  23          HB1       CYS  23  -0.345   5.899  -3.358
   68   1HN   CGU  24          HN        CGU  24  -0.772   8.557  -2.302
   69    HA   CGU  24           HA       CGU  24  -3.470   8.720  -2.938
   70   1HB   CGU  24          HB1       CGU  24  -2.754  10.910  -1.197
   71   2HB   CGU  24          HB2       CGU  24  -1.844   9.466  -0.749
   72    HG   CGU  24           HG2      CGU  24  -4.848   9.612  -1.117
   73    H    LEU  25           HN       LEU  25  -0.876  11.044  -3.506
   74    HA   LEU  25           HA       LEU  25  -2.483  13.200  -4.372
   75   1HB   LEU  25          HB2       LEU  25  -0.116  13.411  -3.693
   76   2HB   LEU  25          HB1       LEU  25   0.366  12.515  -5.118
   77    HG   LEU  25           HG       LEU  25   0.705  14.977  -5.288
   78   1HD1  LEU  25          HD11      LEU  25  -0.004  13.247  -7.214
   79   2HD1  LEU  25          HD12      LEU  25   0.368  14.944  -7.515
   80   3HD1  LEU  25          HD13      LEU  25  -1.310  14.422  -7.367
   81   1HD2  LEU  25          HD21      LEU  25  -2.282  15.185  -5.528
   82   2HD2  LEU  25          HD22      LEU  25  -1.093  16.485  -5.437
   83   3HD2  LEU  25          HD23      LEU  25  -1.428  15.496  -4.016
   84    H    ASN  26           HN       ASN  26  -0.920  10.525  -6.103
   85    HA   ASN  26           HA       ASN  26  -2.269  11.351  -8.573
   86   1HB   ASN  26          HB2       ASN  26  -0.742   9.616  -9.637
   87   2HB   ASN  26          HB1       ASN  26   0.041  11.045  -8.978
   88   1HD2  ASN  26          HD21      ASN  26   1.696  10.749  -7.649
   89   2HD2  ASN  26          HD22      ASN  26   2.112   9.262  -6.874
   90    HA   PRO  27           HA       PRO  27  -5.277   8.205  -7.128
   91   1HB   PRO  27          HB2       PRO  27  -6.995   8.842  -9.237
   92   2HB   PRO  27          HB1       PRO  27  -7.060   9.516  -7.607
   93   1HG   PRO  27          HG2       PRO  27  -5.839  10.651 -10.082
   94   2HG   PRO  27          HG1       PRO  27  -6.707  11.477  -8.775
   95   1HD   PRO  27          HD2       PRO  27  -4.046  11.600  -8.958
   96   2HD   PRO  27          HD1       PRO  27  -4.849  11.479  -7.378
   97    H    ASP  28           HN       ASP  28  -4.439   6.263  -7.608
   98    HA   ASP  28           HA       ASP  28  -5.015   5.103 -10.173
   99   1HB   ASP  28          HB2       ASP  28  -2.802   6.230 -10.547
  100   2HB   ASP  28          HB1       ASP  28  -2.118   5.203  -9.295
  101    H    CYS  29           HN       CYS  29  -2.930   4.570  -7.303
  102    HA   CYS  29           HA       CYS  29  -3.534   1.778  -7.185
  103   1HB   CYS  29          HB2       CYS  29  -2.341   1.799  -5.042
  104   2HB   CYS  29          HB1       CYS  29  -1.426   2.651  -6.279
  105    H    ASP  30           HN       ASP  30  -4.615   4.645  -5.397
  106    HA   ASP  30           HA       ASP  30  -6.462   3.196  -3.745
  107   1HB   ASP  30          HB2       ASP  30  -5.401   5.397  -3.120
  108   2HB   ASP  30          HB1       ASP  30  -6.400   6.167  -4.343
  109    H    GLU  31           HN       GLU  31  -6.575   5.032  -6.741
  110    HA   GLU  31           HA       GLU  31  -9.365   5.114  -7.101
  111   1HB   GLU  31          HB2       GLU  31  -7.778   6.523  -8.347
  112   2HB   GLU  31          HB1       GLU  31  -7.161   5.099  -9.170
  113   1HG   GLU  31          HG2       GLU  31  -9.331   4.752 -10.220
  114   2HG   GLU  31          HG1       GLU  31  -9.970   6.162  -9.376
  115    H    LEU  32           HN       LEU  32  -7.065   2.550  -7.463
  116    HA   LEU  32           HA       LEU  32  -8.246   0.920  -9.377
  117   1HB   LEU  32          HB2       LEU  32  -6.032   0.552  -8.300
  118   2HB   LEU  32          HB1       LEU  32  -6.860   0.022  -6.849
  119    HG   LEU  32           HG       LEU  32  -7.869  -1.840  -8.163
  120   1HD1  LEU  32          HD11      LEU  32  -6.839  -2.394 -10.335
  121   2HD1  LEU  32          HD12      LEU  32  -6.004  -0.841 -10.308
  122   3HD1  LEU  32          HD13      LEU  32  -7.765  -0.893 -10.378
  123   1HD2  LEU  32          HD21      LEU  32  -6.128  -3.183  -7.675
  124   2HD2  LEU  32          HD22      LEU  32  -5.465  -1.716  -6.953
  125   3HD2  LEU  32          HD23      LEU  32  -4.976  -2.199  -8.578
  126    H    ALA  33           HN       ALA  33  -9.234   1.564  -6.088
  127    HA   ALA  33           HA       ALA  33 -10.800  -0.627  -5.471
  128   1HB   ALA  33          HB1       ALA  33 -12.055   0.854  -3.992
  129   2HB   ALA  33          HB2       ALA  33 -11.363   2.257  -4.806
  130   3HB   ALA  33          HB3       ALA  33 -10.322   1.165  -3.893
  131    H    ASP  34           HN       ASP  34 -11.389   1.805  -7.862
  132    HA   ASP  34           HA       ASP  34 -14.071   1.989  -8.158
  133   1HB   ASP  34          HB2       ASP  34 -12.399   3.067  -9.631
  134   2HB   ASP  34          HB1       ASP  34 -12.110   1.520 -10.416
  135    H    HIS  35           HN       HIS  35 -12.091  -0.744  -9.353
  136    HA   HIS  35           HA       HIS  35 -14.591  -2.280  -9.548
  137   1HB   HIS  35          HB2       HIS  35 -13.678  -3.506 -11.466
  138   2HB   HIS  35          HB1       HIS  35 -13.833  -1.786 -11.789
  139    HD1  HIS  35           HD1      HIS  35 -12.066  -3.000 -13.694
  140    HD2  HIS  35           HD2      HIS  35 -10.640  -1.939  -9.942
  141    HE1  HIS  35           HE1      HIS  35  -9.575  -2.804 -13.952
  142    HE2  HIS  35           HE2      HIS  35  -8.726  -2.287 -11.640
  143    H    ILE  36           HN       ILE  36 -11.384  -2.244  -8.236
  144    HA   ILE  36           HA       ILE  36 -11.927  -4.869  -7.091
  145    HB   ILE  36           HB       ILE  36  -9.647  -5.701  -7.500
  146   1HG1  ILE  36          HG12      ILE  36  -9.401  -3.253  -9.260
  147   2HG1  ILE  36          HG11      ILE  36  -8.426  -3.644  -7.851
  148   1HG2  ILE  36          HG21      ILE  36 -10.032  -6.452  -9.714
  149   2HG2  ILE  36          HG22      ILE  36 -11.007  -5.033 -10.096
  150   3HG2  ILE  36          HG23      ILE  36 -11.612  -6.239  -8.960
  151   1HD1  ILE  36          HD11      ILE  36  -7.004  -4.264  -9.504
  152   2HD1  ILE  36          HD12      ILE  36  -8.302  -4.735 -10.601
  153   3HD1  ILE  36          HD13      ILE  36  -7.856  -5.788  -9.258
  154    H    GLY  37           HN       GLY  37  -9.392  -2.319  -7.108
  155   1HA   GLY  37          HA2       GLY  37  -8.277  -1.301  -5.387
  156   2HA   GLY  37          HA1       GLY  37  -9.748  -1.539  -4.461
  157    H    PHE  38           HN       PHE  38  -6.825  -3.290  -5.534
  158    HA   PHE  38           HA       PHE  38  -6.872  -4.706  -2.952
  159   1HB   PHE  38          HB2       PHE  38  -5.968  -5.682  -5.659
  160   2HB   PHE  38          HB1       PHE  38  -5.499  -6.484  -4.166
  161    HD1  PHE  38           HD1      PHE  38  -8.617  -5.195  -5.769
  162    HD2  PHE  38           HD2      PHE  38  -6.733  -8.304  -3.565
  163    HE1  PHE  38           HE1      PHE  38 -10.710  -6.485  -5.811
  164    HE2  PHE  38           HE2      PHE  38  -8.822  -9.604  -3.602
  165    HZ   PHE  38           HZ       PHE  38 -10.815  -8.694  -4.727
  166    H    GLN  39           HN       GLN  39  -4.219  -4.787  -5.259
  167    HA   GLN  39           HA       GLN  39  -2.645  -2.727  -4.157
  168   1HB   GLN  39          HB2       GLN  39  -0.999  -4.081  -2.907
  169   2HB   GLN  39          HB1       GLN  39  -2.588  -4.111  -2.158
  170   1HG   GLN  39          HG2       GLN  39  -3.014  -6.309  -3.094
  171   2HG   GLN  39          HG1       GLN  39  -1.455  -6.279  -3.915
  172   1HE2  GLN  39          HE21      GLN  39   0.078  -7.380  -2.935
  173   2HE2  GLN  39          HE22      GLN  39   0.201  -7.672  -1.237
  174    H    GLU  40           HN       GLU  40  -3.255  -3.649  -6.736
  175    HA   GLU  40           HA       GLU  40  -0.700  -4.764  -7.679
  176   1HB   GLU  40          HB2       GLU  40  -1.927  -5.391  -9.734
  177   2HB   GLU  40          HB1       GLU  40  -2.584  -6.147  -8.290
  178   1HG   GLU  40          HG2       GLU  40  -4.398  -4.533  -8.242
  179   2HG   GLU  40          HG1       GLU  40  -3.727  -3.716  -9.652
  180    H    ALA  41           HN       ALA  41  -3.051  -2.175  -8.222
  181    HA   ALA  41           HA       ALA  41  -1.922  -0.977 -10.463
  182   1HB   ALA  41          HB1       ALA  41  -3.610   0.028  -8.217
  183   2HB   ALA  41          HB2       ALA  41  -3.994  -0.130  -9.931
  184   3HB   ALA  41          HB3       ALA  41  -2.939   1.172  -9.381
  185    H    TYR  42           HN       TYR  42  -1.383  -0.117  -7.041
  186    HA   TYR  42           HA       TYR  42   0.475   1.879  -7.302
  187   1HB   TYR  42          HB2       TYR  42  -0.492   1.198  -5.163
  188   2HB   TYR  42          HB1       TYR  42   0.411  -0.308  -5.216
  189    HD1  TYR  42           HD1      TYR  42   2.985  -0.131  -5.206
  190    HD2  TYR  42           HD2      TYR  42   0.411   3.080  -4.126
  191    HE1  TYR  42           HE1      TYR  42   4.836   0.939  -3.995
  192    HE2  TYR  42           HE2      TYR  42   2.255   4.160  -2.912
  193    HH   TYR  42           HH       TYR  42   4.538   3.146  -1.752
  194    H    ARG  43           HN       ARG  43   1.082  -1.609  -7.393
  195    HA   ARG  43           HA       ARG  43   3.881  -1.534  -7.416
  196   1HB   ARG  43          HB2       ARG  43   2.057  -3.564  -8.712
  197   2HB   ARG  43          HB1       ARG  43   3.760  -3.801  -8.344
  198   1HG   ARG  43          HG2       ARG  43   3.275  -3.563  -5.957
  199   2HG   ARG  43          HG1       ARG  43   1.566  -3.340  -6.332
  200   1HD   ARG  43          HD2       ARG  43   1.935  -5.622  -5.663
  201   2HD   ARG  43          HD1       ARG  43   1.546  -5.580  -7.381
  202    HE   ARG  43           HE       ARG  43   4.329  -5.511  -7.113
  203   1HH1  ARG  43          HH11      ARG  43   1.676  -7.719  -6.529
  204   2HH1  ARG  43          HH12      ARG  43   2.640  -9.136  -6.774
  205   1HH2  ARG  43          HH21      ARG  43   5.595  -7.380  -7.433
  206   2HH2  ARG  43          HH22      ARG  43   4.865  -8.944  -7.286
  207    H    ARG  44           HN       ARG  44   1.562  -1.226 -10.061
  208    HA   ARG  44           HA       ARG  44   3.287  -1.565 -12.222
  209   1HB   ARG  44          HB2       ARG  44   0.786   0.090 -11.951
  210   2HB   ARG  44          HB1       ARG  44   1.633  -0.118 -13.475
  211   1HG   ARG  44          HG2       ARG  44   1.300  -2.550 -13.303
  212   2HG   ARG  44          HG1       ARG  44   0.389  -2.297 -11.812
  213   1HD   ARG  44          HD2       ARG  44  -1.280  -1.025 -12.985
  214   2HD   ARG  44          HD1       ARG  44  -0.330  -1.065 -14.468
  215    HE   ARG  44           HE       ARG  44  -1.260  -3.087 -14.924
  216   1HH1  ARG  44          HH11      ARG  44  -1.510  -2.578 -11.470
  217   2HH1  ARG  44          HH12      ARG  44  -2.370  -4.052 -11.195
  218   1HH2  ARG  44          HH21      ARG  44  -2.398  -5.024 -14.551
  219   2HH2  ARG  44          HH22      ARG  44  -2.875  -5.440 -12.939
  220    H    PHE  45           HN       PHE  45   2.692   1.349 -10.286
  221    HA   PHE  45           HA       PHE  45   4.729   2.700 -11.920
  222   1HB   PHE  45          HB2       PHE  45   3.705   4.856 -11.126
  223   2HB   PHE  45          HB1       PHE  45   2.714   3.895 -12.209
  224    HD1  PHE  45           HD1      PHE  45   1.051   2.234 -10.935
  225    HD2  PHE  45           HD2      PHE  45   2.702   5.798  -9.306
  226    HE1  PHE  45           HE1      PHE  45  -0.808   2.359  -9.333
  227    HE2  PHE  45           HE2      PHE  45   0.846   5.923  -7.697
  228    HZ   PHE  45           HZ       PHE  45  -0.911   4.202  -7.712
  229    H    TYR  46           HN       TYR  46   4.969   1.007  -9.375
  230    HA   TYR  46           HA       TYR  46   6.872   2.806  -8.091
  231   1HB   TYR  46          HB2       TYR  46   4.569   1.501  -6.684
  232   2HB   TYR  46          HB1       TYR  46   6.083   1.753  -5.828
  233    HD1  TYR  46           HD1      TYR  46   3.511   3.597  -7.807
  234    HD2  TYR  46           HD2      TYR  46   6.493   3.779  -4.779
  235    HE1  TYR  46           HE1      TYR  46   2.853   5.911  -7.298
  236    HE2  TYR  46           HE2      TYR  46   5.838   6.090  -4.262
  237    HH   TYR  46           HH       TYR  46   3.027   7.451  -5.160
  238    H    GLY  47           HN       GLY  47   5.504  -0.464  -7.631
  239   1HA   GLY  47          HA2       GLY  47   6.946  -2.331  -8.458
  240   2HA   GLY  47          HA1       GLY  47   8.270  -1.502  -7.653
  241    HA   PRO  48           HA       PRO  48   7.411  -3.696  -3.926
  242   1HB   PRO  48          HB2       PRO  48   7.775  -1.862  -1.967
  243   2HB   PRO  48          HB1       PRO  48   9.112  -2.512  -2.923
  244   1HG   PRO  48          HG2       PRO  48   7.658   0.088  -3.220
  245   2HG   PRO  48          HG1       PRO  48   9.398  -0.241  -3.325
  246   1HD   PRO  48          HD2       PRO  48   7.812   0.062  -5.511
  247   2HD   PRO  48          HD1       PRO  48   9.255  -0.971  -5.500
  248    H    VAL  49           HN       VAL  49   5.370  -4.380  -3.623
  249    HA   VAL  49           HA       VAL  49   3.110  -2.689  -3.475
  250    HB   VAL  49           HB       VAL  49   2.958  -5.029  -4.205
  251   1HG1  VAL  49          HG11      VAL  49   3.283  -5.809  -1.316
  252   2HG1  VAL  49          HG12      VAL  49   4.570  -5.928  -2.516
  253   3HG1  VAL  49          HG13      VAL  49   3.095  -6.876  -2.707
  254   1HG2  VAL  49          HG21      VAL  49   1.049  -3.672  -3.088
  255   2HG2  VAL  49          HG22      VAL  49   1.238  -4.829  -1.771
  256   3HG2  VAL  49          HG23      VAL  49   0.830  -5.395  -3.390
  Start of MODEL   13
    1    H    LEU  16           HN       LEU  16   8.104  -1.373  -0.434
    2    HA   LEU  16           HA       LEU  16   7.364  -0.789  -3.059
    3   1HB   LEU  16          HB2       LEU  16   5.942  -1.890  -1.340
    4   2HB   LEU  16          HB1       LEU  16   5.748  -0.342  -0.546
    5    HG   LEU  16           HG       LEU  16   3.809  -1.084  -1.958
    6   1HD1  LEU  16          HD11      LEU  16   3.227   1.056  -2.405
    7   2HD1  LEU  16          HD12      LEU  16   4.768   1.436  -3.171
    8   3HD1  LEU  16          HD13      LEU  16   4.648   1.376  -1.412
    9   1HD2  LEU  16          HD21      LEU  16   5.108  -2.062  -3.794
   10   2HD2  LEU  16          HD22      LEU  16   5.680  -0.453  -4.236
   11   3HD2  LEU  16          HD23      LEU  16   3.966  -0.846  -4.367
   12   1HN   CGU  17          HN        CGU  17   7.577   1.352  -0.221
   13    HA   CGU  17           HA       CGU  17   7.850   3.599  -0.023
   14   1HB   CGU  17          HB1       CGU  17   8.201   4.587  -2.637
   15   2HB   CGU  17          HB2       CGU  17   8.969   2.998  -2.622
   16    HG   CGU  17           HG2      CGU  17   9.476   5.212  -0.617
   17    HA   PRO  18           HA       PRO  18   3.795   5.211  -0.756
   18   1HB   PRO  18          HB2       PRO  18   4.255   7.869  -0.340
   19   2HB   PRO  18          HB1       PRO  18   4.147   6.686   0.967
   20   1HG   PRO  18          HG2       PRO  18   6.577   7.849  -0.338
   21   2HG   PRO  18          HG1       PRO  18   6.263   7.553   1.383
   22   1HD   PRO  18          HD2       PRO  18   7.783   5.896  -0.107
   23   2HD   PRO  18          HD1       PRO  18   6.759   5.304   1.216
   24    H    LYS  19           HN       LYS  19   3.846   4.645  -3.024
   25    HA   LYS  19           HA       LYS  19   4.433   6.908  -4.809
   26   1HB   LYS  19          HB2       LYS  19   4.470   5.133  -6.624
   27   2HB   LYS  19          HB1       LYS  19   5.796   5.114  -5.474
   28   1HG   LYS  19          HG2       LYS  19   5.091   2.863  -5.923
   29   2HG   LYS  19          HG1       LYS  19   4.683   3.275  -4.262
   30   1HD   LYS  19          HD2       LYS  19   2.370   3.654  -4.905
   31   2HD   LYS  19          HD1       LYS  19   2.766   3.325  -6.592
   32   1HE   LYS  19          HE2       LYS  19   3.380   1.044  -6.015
   33   2HE   LYS  19          HE1       LYS  19   3.058   1.371  -4.315
   34   1HZ   LYS  19          HZ1       LYS  19   0.745   1.710  -4.821
   35   2HZ   LYS  19          HZ2       LYS  19   1.227   0.206  -5.419
   36   3HZ   LYS  19          HZ3       LYS  19   1.028   1.507  -6.475
   37    H    ARG  20           HN       ARG  20   1.849   5.164  -3.468
   38    HA   ARG  20           HA       ARG  20   0.089   5.648  -5.743
   39   1HB   ARG  20          HB2       ARG  20   0.049   3.494  -4.412
   40   2HB   ARG  20          HB1       ARG  20  -0.643   4.415  -3.086
   41   1HG   ARG  20          HG2       ARG  20  -2.587   4.940  -4.384
   42   2HG   ARG  20          HG1       ARG  20  -1.871   4.222  -5.826
   43   1HD   ARG  20          HD2       ARG  20  -3.479   2.696  -4.875
   44   2HD   ARG  20          HD1       ARG  20  -1.856   2.034  -4.696
   45    HE   ARG  20           HE       ARG  20  -2.484   3.437  -2.362
   46   1HH1  ARG  20          HH11      ARG  20  -3.524   0.567  -4.074
   47   2HH1  ARG  20          HH12      ARG  20  -4.034  -0.255  -2.639
   48   1HH2  ARG  20          HH21      ARG  20  -3.156   2.350  -0.472
   49   2HH2  ARG  20          HH22      ARG  20  -3.826   0.758  -0.593
   50   1HN   CGU  21          HN        CGU  21   1.190   7.929  -4.381
   51    HA   CGU  21           HA       CGU  21  -0.814   9.053  -2.665
   52   1HB   CGU  21          HB1       CGU  21   1.568  10.305  -4.062
   53   2HB   CGU  21          HB2       CGU  21   0.530  11.156  -2.914
   54    HG   CGU  21           HG2      CGU  21   2.113   8.641  -2.322
   55    H    VAL  22           HN       VAL  22  -0.033   9.161  -6.087
   56    HA   VAL  22           HA       VAL  22  -1.701  11.325  -6.812
   57    HB   VAL  22           HB       VAL  22  -0.900   8.952  -8.510
   58   1HG1  VAL  22          HG11      VAL  22  -2.579   9.990  -9.716
   59   2HG1  VAL  22          HG12      VAL  22  -1.132  10.791 -10.325
   60   3HG1  VAL  22          HG13      VAL  22  -2.150  11.598  -9.131
   61   1HG2  VAL  22          HG21      VAL  22   1.096   9.953  -7.693
   62   2HG2  VAL  22          HG22      VAL  22   0.478  11.579  -7.986
   63   3HG2  VAL  22          HG23      VAL  22   0.875  10.527  -9.346
   64    H    CYS  23           HN       CYS  23  -2.245   7.822  -6.633
   65    HA   CYS  23           HA       CYS  23  -4.774   7.648  -7.741
   66   1HB   CYS  23          HB2       CYS  23  -3.576   6.079  -5.454
   67   2HB   CYS  23          HB1       CYS  23  -5.078   5.645  -6.260
   68   1HN   CGU  24          HN        CGU  24  -3.842   8.720  -4.516
   69    HA   CGU  24           HA       CGU  24  -6.270   8.662  -3.194
   70   1HB   CGU  24          HB1       CGU  24  -5.413  10.516  -1.812
   71   2HB   CGU  24          HB2       CGU  24  -4.156  10.832  -3.011
   72    HG   CGU  24           HG2      CGU  24  -3.262   8.555  -2.656
   73    H    LEU  25           HN       LEU  25  -5.151  10.874  -5.674
   74    HA   LEU  25           HA       LEU  25  -7.434  12.636  -5.374
   75   1HB   LEU  25          HB2       LEU  25  -5.171  12.593  -7.374
   76   2HB   LEU  25          HB1       LEU  25  -6.454  13.787  -7.372
   77    HG   LEU  25           HG       LEU  25  -4.498  14.739  -6.354
   78   1HD1  LEU  25          HD11      LEU  25  -6.353  14.083  -4.086
   79   2HD1  LEU  25          HD12      LEU  25  -6.798  15.181  -5.393
   80   3HD1  LEU  25          HD13      LEU  25  -5.423  15.558  -4.354
   81   1HD2  LEU  25          HD21      LEU  25  -4.551  12.680  -4.180
   82   2HD2  LEU  25          HD22      LEU  25  -3.266  13.804  -4.620
   83   3HD2  LEU  25          HD23      LEU  25  -3.621  12.422  -5.655
   84    H    ASN  26           HN       ASN  26  -6.173  10.363  -7.827
   85    HA   ASN  26           HA       ASN  26  -8.805  10.416  -9.130
   86   1HB   ASN  26          HB2       ASN  26  -7.711   9.424 -11.083
   87   2HB   ASN  26          HB1       ASN  26  -6.912  10.916 -10.605
   88   1HD2  ASN  26          HD21      ASN  26  -6.405   7.836 -11.603
   89   2HD2  ASN  26          HD22      ASN  26  -4.801   7.598 -11.008
   90    HA   PRO  27           HA       PRO  27  -9.481   6.547  -6.903
   91   1HB   PRO  27          HB2       PRO  27 -11.990   6.654  -8.479
   92   2HB   PRO  27          HB1       PRO  27 -11.757   6.468  -6.738
   93   1HG   PRO  27          HG2       PRO  27 -12.625   8.771  -7.750
   94   2HG   PRO  27          HG1       PRO  27 -11.476   8.748  -6.399
   95   1HD   PRO  27          HD2       PRO  27 -10.972   9.257  -9.308
   96   2HD   PRO  27          HD1       PRO  27 -10.298  10.080  -7.886
   97    H    ASP  28           HN       ASP  28  -9.279   7.062 -10.312
   98    HA   ASP  28           HA       ASP  28 -10.038   4.698 -11.461
   99   1HB   ASP  28          HB2       ASP  28  -9.142   6.654 -12.694
  100   2HB   ASP  28          HB1       ASP  28  -7.525   6.251 -12.130
  101    H    CYS  29           HN       CYS  29  -6.749   5.360 -10.208
  102    HA   CYS  29           HA       CYS  29  -6.152   2.512 -10.256
  103   1HB   CYS  29          HB2       CYS  29  -3.867   3.229  -9.561
  104   2HB   CYS  29          HB1       CYS  29  -4.408   3.950 -11.071
  105    H    ASP  30           HN       ASP  30  -7.049   4.963  -7.965
  106    HA   ASP  30           HA       ASP  30  -6.089   3.717  -5.605
  107   1HB   ASP  30          HB2       ASP  30  -6.886   6.134  -5.939
  108   2HB   ASP  30          HB1       ASP  30  -8.515   5.501  -5.758
  109    H    GLU  31           HN       GLU  31  -8.652   2.914  -7.713
  110    HA   GLU  31           HA       GLU  31 -10.672   1.915  -6.180
  111   1HB   GLU  31          HB2       GLU  31 -10.668   1.940  -8.636
  112   2HB   GLU  31          HB1       GLU  31  -9.493   0.634  -8.648
  113   1HG   GLU  31          HG2       GLU  31 -11.643  -0.278  -9.116
  114   2HG   GLU  31          HG1       GLU  31 -11.157  -0.808  -7.507
  115    H    LEU  32           HN       LEU  32  -7.467   0.528  -6.577
  116    HA   LEU  32           HA       LEU  32  -7.926  -2.084  -5.727
  117   1HB   LEU  32          HB2       LEU  32  -5.784  -1.178  -6.642
  118   2HB   LEU  32          HB1       LEU  32  -5.497  -0.409  -5.093
  119    HG   LEU  32           HG       LEU  32  -5.598  -2.723  -4.060
  120   1HD1  LEU  32          HD11      LEU  32  -6.599  -4.133  -5.560
  121   2HD1  LEU  32          HD12      LEU  32  -4.899  -4.475  -5.876
  122   3HD1  LEU  32          HD13      LEU  32  -5.798  -3.405  -6.952
  123   1HD2  LEU  32          HD21      LEU  32  -3.520  -1.320  -4.871
  124   2HD2  LEU  32          HD22      LEU  32  -3.356  -2.654  -6.013
  125   3HD2  LEU  32          HD23      LEU  32  -3.339  -2.970  -4.278
  126    H    ALA  33           HN       ALA  33  -7.355   0.848  -3.810
  127    HA   ALA  33           HA       ALA  33  -7.198  -0.394  -1.287
  128   1HB   ALA  33          HB1       ALA  33  -8.076   2.414  -1.928
  129   2HB   ALA  33          HB2       ALA  33  -6.408   1.881  -1.720
  130   3HB   ALA  33          HB3       ALA  33  -7.529   1.823  -0.359
  131    H    ASP  34           HN       ASP  34  -9.900   0.053  -3.318
  132    HA   ASP  34           HA       ASP  34 -11.921   0.408  -1.369
  133   1HB   ASP  34          HB2       ASP  34 -12.160   0.901  -3.810
  134   2HB   ASP  34          HB1       ASP  34 -12.190  -0.830  -4.115
  135    H    HIS  35           HN       HIS  35 -10.722  -2.532  -3.039
  136    HA   HIS  35           HA       HIS  35 -12.309  -4.110  -1.141
  137   1HB   HIS  35          HB2       HIS  35 -12.097  -5.989  -2.706
  138   2HB   HIS  35          HB1       HIS  35 -12.852  -4.584  -3.442
  139    HD1  HIS  35           HD1      HIS  35 -11.956  -6.344  -5.496
  140    HD2  HIS  35           HD2      HIS  35  -9.238  -3.804  -3.659
  141    HE1  HIS  35           HE1      HIS  35 -10.034  -6.141  -7.102
  142    HE2  HIS  35           HE2      HIS  35  -8.475  -4.481  -6.031
  143    H    ILE  36           HN       ILE  36  -8.995  -3.357  -1.818
  144    HA   ILE  36           HA       ILE  36  -8.261  -5.331   0.206
  145    HB   ILE  36           HB       ILE  36  -6.276  -6.088  -1.022
  146   1HG1  ILE  36          HG12      ILE  36  -7.471  -4.571  -3.351
  147   2HG1  ILE  36          HG11      ILE  36  -5.949  -4.211  -2.547
  148   1HG2  ILE  36          HG21      ILE  36  -7.390  -7.668  -2.393
  149   2HG2  ILE  36          HG22      ILE  36  -8.763  -6.587  -2.635
  150   3HG2  ILE  36          HG23      ILE  36  -8.468  -7.297  -1.048
  151   1HD1  ILE  36          HD11      ILE  36  -4.970  -5.453  -4.089
  152   2HD1  ILE  36          HD12      ILE  36  -6.515  -6.077  -4.666
  153   3HD1  ILE  36          HD13      ILE  36  -5.700  -6.858  -3.311
  154    H    GLY  37           HN       GLY  37  -6.814  -2.767  -1.855
  155   1HA   GLY  37          HA2       GLY  37  -5.428  -1.026  -1.310
  156   2HA   GLY  37          HA1       GLY  37  -6.097  -1.133   0.309
  157    H    PHE  38           HN       PHE  38  -3.694  -2.666  -1.828
  158    HA   PHE  38           HA       PHE  38  -2.023  -3.132   0.555
  159   1HB   PHE  38          HB2       PHE  38  -2.357  -4.800  -1.931
  160   2HB   PHE  38          HB1       PHE  38  -0.959  -4.974  -0.879
  161    HD1  PHE  38           HD1      PHE  38  -4.668  -4.733  -0.484
  162    HD2  PHE  38           HD2      PHE  38  -1.060  -6.711   0.590
  163    HE1  PHE  38           HE1      PHE  38  -5.942  -6.264   0.956
  164    HE2  PHE  38           HE2      PHE  38  -2.327  -8.249   2.033
  165    HZ   PHE  38           HZ       PHE  38  -4.773  -8.027   2.217
  166    H    GLN  39           HN       GLN  39  -2.159  -0.770  -1.290
  167    HA   GLN  39           HA       GLN  39  -0.795   0.633  -2.460
  168   1HB   GLN  39          HB2       GLN  39   1.250  -0.682  -0.660
  169   2HB   GLN  39          HB1       GLN  39   1.510   0.809  -1.555
  170   1HG   GLN  39          HG2       GLN  39  -0.273   1.890  -0.299
  171   2HG   GLN  39          HG1       GLN  39  -0.566   0.392   0.584
  172   1HE2  GLN  39          HE21      GLN  39   0.277   0.386   2.541
  173   2HE2  GLN  39          HE22      GLN  39   1.727   1.187   3.031
  174    H    GLU  40           HN       GLU  40  -1.360  -1.537  -3.995
  175    HA   GLU  40           HA       GLU  40   1.154  -1.918  -5.465
  176   1HB   GLU  40          HB2       GLU  40   0.491  -4.251  -5.965
  177   2HB   GLU  40          HB1       GLU  40   0.794  -3.973  -4.257
  178   1HG   GLU  40          HG2       GLU  40  -1.628  -3.800  -3.875
  179   2HG   GLU  40          HG1       GLU  40  -1.904  -4.143  -5.582
  180    H    ALA  41           HN       ALA  41  -1.539  -0.331  -5.715
  181    HA   ALA  41           HA       ALA  41  -2.542  -1.326  -8.250
  182   1HB   ALA  41          HB1       ALA  41  -4.394  -0.170  -7.780
  183   2HB   ALA  41          HB2       ALA  41  -3.490   1.305  -7.439
  184   3HB   ALA  41          HB3       ALA  41  -3.692   0.084  -6.182
  185    H    TYR  42           HN       TYR  42  -1.240   1.800  -7.118
  186    HA   TYR  42           HA       TYR  42  -0.885   3.054  -9.541
  187   1HB   TYR  42          HB2       TYR  42  -0.589   4.126  -7.345
  188   2HB   TYR  42          HB1       TYR  42   0.901   3.231  -7.104
  189    HD1  TYR  42           HD1      TYR  42   2.763   3.624  -8.906
  190    HD2  TYR  42           HD2      TYR  42  -0.511   6.256  -8.233
  191    HE1  TYR  42           HE1      TYR  42   4.025   5.453  -9.955
  192    HE2  TYR  42           HE2      TYR  42   0.742   8.091  -9.281
  193    HH   TYR  42           HH       TYR  42   3.121   7.826 -11.223
  194    H    ARG  43           HN       ARG  43   0.961   0.414  -8.227
  195    HA   ARG  43           HA       ARG  43   3.381   0.669  -9.581
  196   1HB   ARG  43          HB2       ARG  43   1.917  -1.900  -8.946
  197   2HB   ARG  43          HB1       ARG  43   3.637  -1.738  -9.272
  198   1HG   ARG  43          HG2       ARG  43   3.880  -0.375  -7.249
  199   2HG   ARG  43          HG1       ARG  43   2.160  -0.575  -6.922
  200   1HD   ARG  43          HD2       ARG  43   3.399  -2.145  -5.587
  201   2HD   ARG  43          HD1       ARG  43   2.502  -3.021  -6.825
  202    HE   ARG  43           HE       ARG  43   5.067  -2.504  -7.810
  203   1HH1  ARG  43          HH11      ARG  43   3.543  -4.399  -5.292
  204   2HH1  ARG  43          HH12      ARG  43   4.767  -5.623  -5.302
  205   1HH2  ARG  43          HH21      ARG  43   6.676  -4.120  -7.821
  206   2HH2  ARG  43          HH22      ARG  43   6.546  -5.465  -6.738
  207    H    ARG  44           HN       ARG  44   0.554  -1.281 -10.573
  208    HA   ARG  44           HA       ARG  44   1.645  -1.732 -13.192
  209   1HB   ARG  44          HB2       ARG  44  -0.443  -2.942 -13.629
  210   2HB   ARG  44          HB1       ARG  44   0.305  -3.454 -12.124
  211   1HG   ARG  44          HG2       ARG  44  -1.276  -2.062 -10.873
  212   2HG   ARG  44          HG1       ARG  44  -2.032  -1.575 -12.388
  213   1HD   ARG  44          HD2       ARG  44  -1.867  -4.400 -11.344
  214   2HD   ARG  44          HD1       ARG  44  -3.280  -3.356 -11.236
  215    HE   ARG  44           HE       ARG  44  -3.708  -3.723 -13.469
  216   1HH1  ARG  44          HH11      ARG  44  -0.613  -5.150 -12.639
  217   2HH1  ARG  44          HH12      ARG  44  -0.421  -5.915 -14.179
  218   1HH2  ARG  44          HH21      ARG  44  -3.446  -4.743 -15.485
  219   2HH2  ARG  44          HH22      ARG  44  -2.027  -5.688 -15.792
  220    H    PHE  45           HN       PHE  45  -0.803   0.421 -11.830
  221    HA   PHE  45           HA       PHE  45  -1.918   1.257 -14.288
  222   1HB   PHE  45          HB2       PHE  45  -1.863   2.518 -11.553
  223   2HB   PHE  45          HB1       PHE  45  -2.650   3.295 -12.921
  224    HD1  PHE  45           HD1      PHE  45  -2.577  -0.070 -11.295
  225    HD2  PHE  45           HD2      PHE  45  -4.909   2.985 -13.111
  226    HE1  PHE  45           HE1      PHE  45  -4.608  -1.367 -10.843
  227    HE2  PHE  45           HE2      PHE  45  -6.952   1.690 -12.666
  228    HZ   PHE  45           HZ       PHE  45  -6.805  -0.490 -11.531
  229    H    TYR  46           HN       TYR  46   0.852   2.433 -12.427
  230    HA   TYR  46           HA       TYR  46   1.370   4.382 -14.577
  231   1HB   TYR  46          HB2       TYR  46   2.265   4.458 -11.689
  232   2HB   TYR  46          HB1       TYR  46   2.737   5.624 -12.918
  233    HD1  TYR  46           HD1      TYR  46  -0.400   4.135 -11.515
  234    HD2  TYR  46           HD2      TYR  46   1.571   7.610 -12.976
  235    HE1  TYR  46           HE1      TYR  46  -2.392   5.473 -10.999
  236    HE2  TYR  46           HE2      TYR  46  -0.417   8.960 -12.461
  237    HH   TYR  46           HH       TYR  46  -3.076   8.308 -12.225
  238    H    GLY  47           HN       GLY  47   3.322   2.681 -12.099
  239   1HA   GLY  47          HA2       GLY  47   4.790   0.895 -13.285
  240   2HA   GLY  47          HA1       GLY  47   5.405   2.303 -14.136
  241    HA   PRO  48           HA       PRO  48   8.306   3.241 -10.956
  242   1HB   PRO  48          HB2       PRO  48   7.786   5.810 -10.166
  243   2HB   PRO  48          HB1       PRO  48   8.596   5.390 -11.679
  244   1HG   PRO  48          HG2       PRO  48   5.729   6.099 -11.198
  245   2HG   PRO  48          HG1       PRO  48   6.804   6.613 -12.511
  246   1HD   PRO  48          HD2       PRO  48   4.973   4.673 -12.851
  247   2HD   PRO  48          HD1       PRO  48   6.549   4.625 -13.667
  248    H    VAL  49           HN       VAL  49   8.621   3.002  -8.784
  249    HA   VAL  49           HA       VAL  49   6.358   3.476  -6.981
  250    HB   VAL  49           HB       VAL  49   6.717   1.332  -5.838
  251   1HG1  VAL  49          HG11      VAL  49   4.971   1.466  -7.506
  252   2HG1  VAL  49          HG12      VAL  49   5.730  -0.125  -7.562
  253   3HG1  VAL  49          HG13      VAL  49   6.125   1.083  -8.784
  254   1HG2  VAL  49          HG21      VAL  49   8.019  -0.438  -7.097
  255   2HG2  VAL  49          HG22      VAL  49   8.977   0.806  -6.296
  256   3HG2  VAL  49          HG23      VAL  49   8.720   0.878  -8.039