*HEADER    ANTIMICROBIAL PROTEIN                   15-MAR-14   2MMJ              
*TITLE     STRUCTURE OF A PEPTOID ANALOGUE OF MACULATIN G15 IN DPC MICELLES      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MACULATIN G15;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: LITORIA GENIMACULATA;                           
*SOURCE   4 ORGANISM_COMMON: GREEN-EYED TREE FROG;                               
*SOURCE   5 ORGANISM_TAXID: 95132;                                               
*SOURCE   6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    PEPTOID, N-SUBSTITUTED GLYCINE, MACULATIN, ANTIMICROBIAL PEPTIDE,     
*KEYWDS   2 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.E.UGGERHOEJ, P.GUENTERT, R.WIMMER                                   
*REVDAT   1   23-JUL-14 2MMJ    0                                                


assi (resi    3 and name   HB#) (resi    4 and name    HN) 3.79 2.79 0.00 
assi (resi    3 and name    HN) (resi    3 and name   HB#) 3.27 2.27 0.00 
assi (resi    5 and name    HN) (resi    5 and name    HB) 2.52 1.52 0.00 
assi (resi    5 and name    HB) (resi    6 and name    HN) 3.05 2.05 0.00 
assi (resi    2 and name    HA) (resi    5 and name    HB) 4.26 3.26 0.00 
assi (resi    5 and name    HA) (resi    5 and name    HB) 2.93 1.93 0.00 
assi (resi   16 and name    HA) (resi   19 and name   HB#) 4.82 3.82 0.00 
assi (resi   19 and name    HA) (resi   19 and name   HB#) 2.71 1.71 0.00 
assi (resi   19 and name   HB#) (resi   20 and name    HN) 3.45 2.45 0.00 
assi (resi   19 and name    HN) (resi   19 and name   HB#) 2.59 1.59 0.00 
assi (resi   15 and name   HA#) (resi   18 and name    HN) 5.04 4.04 0.00 
assi (resi    7 and name    HA) (resi   10 and name    HN) 4.57 3.57 0.00 
assi (resi    7 and name    HA) (resi    9 and name    HN) 4.82 3.82 0.00 
assi (resi    7 and name    HN) (resi    7 and name    HA) 2.80 1.80 0.00 
assi (resi   18 and name    HA) (resi   21 and name    HN) 3.79 2.79 0.00 
assi (resi   18 and name    HN) (resi   18 and name    HA) 2.87 1.87 0.00 
assi (resi   10 and name    HN) (resi   11 and name   HB#) 4.57 3.57 0.00 
assi (resi   10 and name    HN) (resi   11 and name   HB#) 4.57 3.57 0.00 
assi (resi    8 and name    HN) (resi    9 and name    HN) 2.65 1.65 0.00 
assi (resi    7 and name    HN) (resi    8 and name    HN) 2.96 1.96 0.00 
assi (resi    5 and name    HN) (resi    6 and name    HN) 2.77 1.77 0.00 
assi (resi    4 and name    HN) (resi    5 and name    HN) 2.93 1.93 0.00 
assi (resi    6 and name    HN) (resi    7 and name    HN) 3.30 2.30 0.00 
assi (resi    3 and name    HN) (resi    4 and name    HN) 3.52 2.52 0.00 
assi (resi    6 and name    HN) (resi    6 and name   HB#) 3.52 2.52 0.00 
assi (resi    6 and name    HA) (resi    6 and name   HB#) 2.93 1.93 0.00 
assi (resi   10 and name    HA) (resi   11 and name   HB#) 3.45 2.45 0.00 
assi (resi   10 and name    HA) (resi   13 and name    HB) 3.83 2.83 0.00 
assi (resi   10 and name    HA) (resi   11 and name   HB#) 3.45 2.45 0.00 
assi (resi   10 and name    HA) (resi   13 and name    HN) 4.07 3.07 0.00 
assi (resi   14 and name    HB) (resi   15 and name    HN) 2.93 1.93 0.00 
assi (resi   14 and name    HN) (resi   14 and name    HB) 2.71 1.71 0.00 
assi (resi    8 and name    HN) (resi    8 and name   HB#) 2.99 1.99 0.00 
assi (resi    8 and name   HB#) (resi    9 and name    HN) 3.73 2.73 0.00 
assi (resi    6 and name    HN) (resi    6 and name   HB#) 2.99 1.99 0.00 
assi (resi    6 and name   HB#) (resi    7 and name    HN) 3.14 2.14 0.00 
assi (resi    3 and name    HA) (resi    6 and name   HB#) 3.05 2.05 0.00 
assi (resi   18 and name    HA) (resi   21 and name   HB#) 4.14 3.14 0.00 
assi (resi   21 and name    HN) (resi   21 and name   HB#) 3.21 2.21 0.00 
assi (resi   16 and name    HN) (resi   16 and name    HA) 2.87 1.87 0.00 
assi (resi   16 and name    HA) (resi   19 and name    HN) 3.36 2.36 0.00 
assi (resi   17 and name    HA) (resi   18 and name    HN) 3.48 2.48 0.00 
assi (resi   17 and name    HN) (resi   17 and name    HA) 2.90 1.90 0.00 
assi (resi   17 and name    HA) (resi   20 and name    HN) 3.67 2.67 0.00 
assi (resi   17 and name    HA) (resi   19 and name    HN) 4.23 3.23 0.00 
assi (resi   13 and name    HA) (resi   16 and name    HN) 3.52 2.52 0.00 
assi (resi   15 and name   HA#) (resi   16 and name    HN) 3.02 2.02 0.00 
assi (resi   15 and name    HN) (resi   15 and name   HA#) 2.56 1.56 0.00 
assi (resi    9 and name    HN) (resi    9 and name    HB) 3.30 2.30 0.00 
assi (resi    6 and name    HA) (resi    9 and name    HB) 5.13 4.13 0.00 
assi (resi    4 and name    HN) (resi    4 and name   HA#) 2.83 1.83 0.00 
assi (resi    9 and name    HN) (resi   10 and name    HN) 2.74 1.74 0.00 
assi (resi   13 and name    HB) (resi   14 and name    HN) 3.67 2.67 0.00 
assi (resi   13 and name    HN) (resi   13 and name    HB) 3.70 2.70 0.00 
assi (resi   20 and name    HN) (resi   20 and name    HA) 2.90 1.90 0.00 
assi (resi   19 and name    HA) (resi   21 and name    HN) 4.26 3.26 0.00 
assi (resi   19 and name    HA) (resi   20 and name    HN) 3.48 2.48 0.00 
assi (resi   19 and name    HN) (resi   19 and name    HA) 2.93 1.93 0.00 
assi (resi   14 and name    HA) (resi   18 and name    HN) 4.17 3.17 0.00 
assi (resi   14 and name    HA) (resi   16 and name    HN) 4.94 3.94 0.00 
assi (resi   14 and name    HA) (resi   17 and name    HN) 3.52 2.52 0.00 
assi (resi    2 and name    HA) (resi    5 and name    HN) 5.41 4.41 0.00 
assi (resi    3 and name   HB#) (resi    4 and name    HN) 3.79 2.79 0.00 
assi (resi    3 and name    HN) (resi    3 and name   HB#) 3.27 2.27 0.00 
assi (resi   19 and name    HA) (resi   19 and name   HB#) 2.93 1.93 0.00 
assi (resi   19 and name   HB#) (resi   20 and name    HN) 3.11 2.11 0.00 
assi (resi   19 and name    HN) (resi   19 and name   HB#) 2.74 1.74 0.00 
assi (resi   18 and name    HA) (resi   21 and name   HB#) 4.14 3.14 0.00 
assi (resi   21 and name    HN) (resi   21 and name   HB#) 3.21 2.21 0.00 
assi (resi   16 and name    HN) (resi   17 and name    HN) 2.87 1.87 0.00 
assi (resi   15 and name    HN) (resi   16 and name    HN) 3.02 2.02 0.00 
assi (resi   17 and name    HN) (resi   18 and name    HN) 2.83 1.83 0.00 
assi (resi    8 and name    HN) (resi    8 and name    HA) 2.87 1.87 0.00 
assi (resi    8 and name    HA) (resi    9 and name    HN) 3.52 2.52 0.00 
assi (resi    5 and name    HA) (resi    8 and name    HN) 3.55 2.55 0.00 
assi (resi    5 and name    HN) (resi    5 and name    HA) 2.90 1.90 0.00 
assi (resi    5 and name    HA) (resi    7 and name    HN) 3.61 2.61 0.00 
assi (resi    6 and name    HA) (resi    9 and name    HN) 3.70 2.70 0.00 
assi (resi    4 and name    HN) (resi    4 and name   HA#) 2.52 1.52 0.00 
assi (resi    4 and name   HA#) (resi    7 and name    HN) 5.50 4.50 0.00 
assi (resi    3 and name    HA) (resi    3 and name   HB#) 3.02 2.02 0.00 
assi (resi    3 and name    HA) (resi    6 and name    HN) 3.67 2.67 0.00 
assi (resi    3 and name    HA) (resi    7 and name    HN) 4.60 3.60 0.00 
assi (resi    3 and name    HA) (resi    3 and name   HB#) 3.02 2.02 0.00 
assi (resi    8 and name    HN) (resi    8 and name   HB#) 2.99 1.99 0.00 
assi (resi    8 and name   HB#) (resi    9 and name    HN) 3.73 2.73 0.00 
assi (resi   17 and name    HA) (resi   17 and name    HB) 3.02 2.02 0.00 
assi (resi   17 and name    HB) (resi   18 and name    HN) 2.74 1.74 0.00 
assi (resi   14 and name    HA) (resi   17 and name    HB) 3.14 2.14 0.00 
assi (resi   17 and name    HN) (resi   17 and name    HB) 2.59 1.59 0.00 
assi (resi   17 and name    HA) (resi   20 and name   HB#) 4.27 3.27 0.00 
assi (resi   20 and name   HB#) (resi   21 and name    HN) 4.27 3.27 0.00 
assi (resi   20 and name    HN) (resi   20 and name   HB#) 3.59 2.59 0.00 
assi (resi   20 and name    HN) (resi   21 and name    HN) 2.96 1.96 0.00 
assi (resi   19 and name    HN) (resi   20 and name    HN) 2.74 1.74 0.00 
assi (resi   18 and name    HN) (resi   19 and name    HN) 2.87 1.87 0.00 
assi (resi   19 and name   HB#) (resi   20 and name   HD2) 5.50 4.50 0.00 
assi (resi    9 and name    HA) (resi   12 and name   HD2) 3.55 2.55 0.00 
assi (resi   20 and name   HD2) (resi   21 and name    HA) 5.50 4.50 0.00 
assi (resi   21 and name    HA) (resi   21 and name   HD#) 6.02 5.02 0.00 
assi (resi   18 and name    HA) (resi   21 and name   HD#) 7.63 6.63 0.00 
assi (resi   12 and name    HA) (resi   12 and name   HD2) 5.28 4.28 0.00 
assi (resi   20 and name   HD2) (resi   21 and name   HE#) 7.63 6.63 0.00 
assi (resi   20 and name   HD2) (resi   21 and name   HD#) 7.63 6.63 0.00 
assi (resi   20 and name    HN) (resi   20 and name   HD2) 5.41 4.41 0.00 
assi (resi   10 and name    HA) (resi   11 and name    HG) 4.85 3.85 0.00 
assi (resi    3 and name   HD#) (resi    6 and name   HB#) 5.50 4.50 0.00 
assi (resi   17 and name    HA) (resi   20 and name   HD2) 4.88 3.88 0.00 
assi (resi   17 and name    HA) (resi   21 and name   HD#) 7.29 6.29 0.00 
assi (resi    9 and name    HB) (resi   12 and name   HD2) 5.50 4.50 0.00 
assi (resi   19 and name    HN) (resi   19 and name   HG#) 5.50 4.50 0.00 
assi (resi   21 and name    HN) (resi   21 and name   HD#) 6.73 5.73 0.00 
assi (resi    8 and name    HN) (resi    8 and name   HD#) 6.38 5.38 0.00 
assi (resi    8 and name    HA) (resi    8 and name   HD#) 6.38 5.38 0.00 
assi (resi   20 and name    HA) (resi   20 and name   HD2) 5.00 4.00 0.00 
assi (resi    6 and name    HN) (resi    6 and name    HG) 3.42 2.42 0.00 
assi (resi   19 and name    HN) (resi   19 and name   HG#) 5.50 4.50 0.00 
assi (resi    3 and name    HA) (resi    3 and name   HD#) 3.55 2.55 0.00 
assi (resi   20 and name   HB#) (resi   21 and name   HE#) 8.51 7.51 0.00 
assi (resi   20 and name   HB#) (resi   21 and name   HD#) 8.51 7.51 0.00 
assi (resi   11 and name   HA#) (resi   11 and name    HG) 5.50 4.50 0.00 
assi (resi   11 and name   HA#) (resi   11 and name    HG) 5.50 4.50 0.00 
assi (resi   14 and name    HA) (resi   14 and name   HG*) 4.13 3.13 0.00 
assi (resi   14 and name   HG*) (resi   15 and name    HN) 5.78 4.78 0.00 
assi (resi   14 and name    HN) (resi   14 and name   HG*) 5.71 4.71 0.00 
assi (resi    9 and name   HG*) (resi   10 and name    HN) 6.52 5.52 0.00 
assi (resi    9 and name    HN) (resi    9 and name   HG*) 4.54 3.54 0.00 
assi (resi   10 and name    HA) (resi   11 and name   HD*) 6.14 5.14 0.00 
assi (resi    5 and name    HN) (resi    5 and name   HG*) 5.06 4.06 0.00 
assi (resi    5 and name   HG*) (resi    6 and name    HN) 6.30 5.30 0.00 
assi (resi    5 and name    HA) (resi    5 and name   HG*) 3.82 2.82 0.00 
assi (resi   16 and name   HB*) (resi   20 and name   HD2) 6.52 5.52 0.00 
assi (resi   13 and name    HA) (resi   16 and name   HB*) 3.88 2.88 0.00 
assi (resi   16 and name    HN) (resi   16 and name   HB*) 3.54 2.54 0.00 
assi (resi   16 and name   HB*) (resi   17 and name    HN) 4.26 3.26 0.00 
assi (resi    6 and name    HN) (resi    6 and name   HD*) 6.52 5.52 0.00 
assi (resi    7 and name   HB*) (resi    8 and name    HN) 4.38 3.38 0.00 
assi (resi    4 and name   HA#) (resi    7 and name   HB*) 4.60 3.60 0.00 
assi (resi    7 and name    HN) (resi    7 and name   HB*) 3.60 2.60 0.00 
assi (resi    4 and name   HA#) (resi    7 and name   HB*) 6.52 5.52 0.00 
assi (resi   14 and name    HA) (resi   14 and name   HG*) 4.13 3.13 0.00 
assi (resi   14 and name   HG*) (resi   15 and name    HN) 5.78 4.78 0.00 
assi (resi   14 and name    HN) (resi   14 and name   HG*) 5.71 4.71 0.00 
assi (resi    5 and name    HN) (resi    5 and name   HG*) 5.06 4.06 0.00 
assi (resi    5 and name   HG*) (resi    6 and name    HN) 6.30 5.30 0.00 
assi (resi    5 and name    HA) (resi    5 and name   HG*) 3.82 2.82 0.00 
assi (resi   17 and name    HA) (resi   17 and name   HD*) 5.50 4.50 0.00 
assi (resi   14 and name    HA) (resi   17 and name   HD*) 4.72 3.72 0.00 
assi (resi   17 and name    HN) (resi   17 and name   HD*) 5.34 4.34 0.00 
assi (resi    9 and name   HG*) (resi   10 and name    HN) 6.52 5.52 0.00 
assi (resi    9 and name    HN) (resi    9 and name   HG*) 4.54 3.54 0.00 
assi (resi    6 and name    HN) (resi    6 and name   HD*) 6.52 5.52 0.00 
assi (resi    7 and name    HA) (resi   10 and name   HB*) 4.50 3.50 0.00 
assi (resi   10 and name   HB*) (resi   11 and name   HB#) 5.15 4.15 0.00 
assi (resi   10 and name    HN) (resi   10 and name   HB*) 3.82 2.82 0.00 
assi (resi   10 and name   HB*) (resi   11 and name   HB#) 5.15 4.15 0.00 
assi (resi   15 and name   HA#) (resi   18 and name   HB*) 4.66 3.66 0.00 
assi (resi   18 and name   HB*) (resi   20 and name   HD2) 6.52 5.52 0.00 
assi (resi   15 and name   HA#) (resi   18 and name   HB*) 5.03 4.03 0.00 
assi (resi   18 and name    HN) (resi   18 and name   HB*) 3.51 2.51 0.00 
assi (resi   18 and name   HB*) (resi   19 and name    HN) 3.95 2.95 0.00 
assi (resi   17 and name  HG2*) (resi   18 and name    HA) 5.19 4.19 0.00 
assi (resi   17 and name  HG2*) (resi   21 and name   HE#) 7.84 6.84 0.00 
assi (resi   17 and name    HA) (resi   17 and name  HG2*) 3.70 2.70 0.00 
assi (resi   17 and name  HG2*) (resi   18 and name    HN) 4.97 3.97 0.00 
assi (resi   17 and name  HG2*) (resi   21 and name   HD#) 7.10 6.10 0.00 
assi (resi   17 and name    HN) (resi   17 and name  HG2*) 4.88 3.88 0.00 
assi (resi    2 and name    HA) (resi    2 and name   HB#) 2.58 1.58 0.00 
assi (resi    2 and name    HA) (resi    2 and name   HD*) 4.08 3.08 0.00 
assi (resi    2 and name    HA) (resi    5 and name   HG*) 4.48 3.48 0.00 
assi (resi    2 and name   HB#) (resi    3 and name    HN) 3.18 2.18 0.00 
assi (resi    2 and name   HB#) (resi    3 and name   HD#) 5.08 4.08 0.00 
assi (resi    2 and name   HD*) (resi    3 and name   HD#) 4.59 3.59 0.00 
assi (resi    3 and name    HA) (resi    6 and name   HD*) 5.05 4.05 0.00 
assi (resi    3 and name   HB#) (resi    4 and name    HN) 3.26 2.26 0.00 
assi (resi    5 and name    HN) (resi    5 and name   HG*) 3.79 2.79 0.00 
assi (resi    5 and name    HA) (resi    8 and name   HB#) 3.69 2.69 0.00 
assi (resi    5 and name   HG*) (resi    6 and name    HN) 5.17 4.17 0.00 
assi (resi    6 and name    HA) (resi    6 and name   HD*) 4.20 3.20 0.00 
assi (resi    6 and name    HA) (resi    9 and name   HG*) 3.90 2.90 0.00 
assi (resi    8 and name    HN) (resi    8 and name   HB#) 2.60 1.60 0.00 
assi (resi    8 and name    HN) (resi    8 and name   HG#) 3.76 2.76 0.00 
assi (resi    8 and name    HA) (resi    8 and name   HG#) 3.72 2.72 0.00 
assi (resi    9 and name    HN) (resi    9 and name   HG*) 3.74 2.74 0.00 
assi (resi    9 and name   HG*) (resi   10 and name    HN) 4.99 3.99 0.00 
assi (resi   10 and name    HN) (resi   11 and name   HB#) 3.98 2.98 0.00 
assi (resi   10 and name    HA) (resi   11 and name   HD*) 5.33 4.33 0.00 
assi (resi   10 and name    HA) (resi   13 and name   HG*) 6.42 5.42 0.00 
assi (resi   10 and name   HB*) (resi   11 and name   HB#) 4.42 3.42 0.00 
assi (resi   10 and name   HB*) (resi   11 and name   HD*) 5.67 4.67 0.00 
assi (resi   10 and name   HB*) (resi   13 and name   HG*) 6.92 5.92 0.00 
assi (resi   11 and name   HA#) (resi   11 and name   HB#) 3.06 2.06 0.00 
assi (resi   14 and name   HG*) (resi   15 and name    HN) 5.03 4.03 0.00 
assi (resi   17 and name    HN) (resi   17 and name  HG1#) 2.87 1.87 0.00 
assi (resi   17 and name    HA) (resi   17 and name  HG1#) 3.08 2.08 0.00 
assi (resi   17 and name  HG1#) (resi   18 and name    HN) 5.34 4.34 0.00 
assi (resi   17 and name  HG1#) (resi   20 and name   HD2) 5.34 4.34 0.00 
assi (resi   18 and name    HA) (resi   21 and name   HB#) 3.49 2.49 0.00 
assi (resi   18 and name    HA) (resi   22 and name   HN1) 5.35 4.35 0.00 
assi (resi   19 and name    HA) (resi   22 and name   HN1) 5.35 4.35 0.00 
assi (resi   21 and name    HN) (resi   21 and name   HB#) 2.57 1.57 0.00 
assi (resi   21 and name    HN) (resi   22 and name   HN1) 3.35 2.35 0.00 
assi (resi   21 and name    HA) (resi   21 and name   HB#) 2.63 1.63 0.00 
assi (resi   21 and name   HB#) (resi   22 and name   HN1) 4.53 3.53 0.00 
! dihedral angle constraints
! PHI 2
assign (resid    1 and name     C) (resid    2 and name     N)
       (resid    2 and name    CA) (resid    2 and name     C)   1.0 -60.00 30.00 2
! PSI 2
assign (resid    2 and name     N) (resid    2 and name    CA)
       (resid    2 and name     C) (resid    3 and name     N)   1.0 -43.00 30.00 2
! PHI 3
assign (resid    2 and name     C) (resid    3 and name     N)
       (resid    3 and name    CA) (resid    3 and name     C)   1.0 -62.00 30.00 2
! PSI 3
assign (resid    3 and name     N) (resid    3 and name    CA)
       (resid    3 and name     C) (resid    4 and name     N)   1.0 -38.00 30.00 2
! PHI 4
assign (resid    3 and name     C) (resid    4 and name     N)
       (resid    4 and name    CA) (resid    4 and name     C)   1.0 -66.00 30.00 2
! PSI 4
assign (resid    4 and name     N) (resid    4 and name    CA)
       (resid    4 and name     C) (resid    5 and name     N)   1.0 -39.00 30.00 2
! PHI 5
assign (resid    4 and name     C) (resid    5 and name     N)
       (resid    5 and name    CA) (resid    5 and name     C)   1.0 -67.00 30.00 2
! PSI 5
assign (resid    5 and name     N) (resid    5 and name    CA)
       (resid    5 and name     C) (resid    6 and name     N)   1.0 -43.00 30.00 2
! PHI 6
assign (resid    5 and name     C) (resid    6 and name     N)
       (resid    6 and name    CA) (resid    6 and name     C)   1.0 -66.00 30.00 2
! PSI 6
assign (resid    6 and name     N) (resid    6 and name    CA)
       (resid    6 and name     C) (resid    7 and name     N)   1.0 -39.00 30.00 2
! PHI 7
assign (resid    6 and name     C) (resid    7 and name     N)
       (resid    7 and name    CA) (resid    7 and name     C)   1.0 -67.00 30.00 2
! PSI 7
assign (resid    7 and name     N) (resid    7 and name    CA)
       (resid    7 and name     C) (resid    8 and name     N)   1.0 -38.00 30.00 2
! PHI 8
assign (resid    7 and name     C) (resid    8 and name     N)
       (resid    8 and name    CA) (resid    8 and name     C)   1.0 -77.00 30.00 2
! PSI 8
assign (resid    8 and name     N) (resid    8 and name    CA)
       (resid    8 and name     C) (resid    9 and name     N)   1.0 -23.00 30.00 2
! PHI 13
assign (resid   12 and name     C) (resid   13 and name     N)
       (resid   13 and name    CA) (resid   13 and name     C)   1.0 -62.00 30.00 2
! PSI 13
assign (resid   13 and name     N) (resid   13 and name    CA)
       (resid   13 and name     C) (resid   14 and name     N)   1.0 -41.00 30.00 2
! PHI 14
assign (resid   13 and name     C) (resid   14 and name     N)
       (resid   14 and name    CA) (resid   14 and name     C)   1.0 -64.00 30.00 2
! PSI 14
assign (resid   14 and name     N) (resid   14 and name    CA)
       (resid   14 and name     C) (resid   15 and name     N)   1.0 -42.00 30.00 2
! PHI 15
assign (resid   14 and name     C) (resid   15 and name     N)
       (resid   15 and name    CA) (resid   15 and name     C)   1.0 -65.00 30.00 2
! PSI 15
assign (resid   15 and name     N) (resid   15 and name    CA)
       (resid   15 and name     C) (resid   16 and name     N)   1.0 -38.00 30.00 2
! PHI 16
assign (resid   15 and name     C) (resid   16 and name     N)
       (resid   16 and name    CA) (resid   16 and name     C)   1.0 -64.00 30.00 2
! PSI 16
assign (resid   16 and name     N) (resid   16 and name    CA)
       (resid   16 and name     C) (resid   17 and name     N)   1.0 -43.00 30.00 2
! PHI 17
assign (resid   16 and name     C) (resid   17 and name     N)
       (resid   17 and name    CA) (resid   17 and name     C)   1.0 -67.00 30.00 2
! PSI 17
assign (resid   17 and name     N) (resid   17 and name    CA)
       (resid   17 and name     C) (resid   18 and name     N)   1.0 -41.00 30.00 2
! PHI 18
assign (resid   17 and name     C) (resid   18 and name     N)
       (resid   18 and name    CA) (resid   18 and name     C)   1.0 -63.00 30.00 2
! PSI 18
assign (resid   18 and name     N) (resid   18 and name    CA)
       (resid   18 and name     C) (resid   19 and name     N)   1.0 -41.00 30.00 2
! PHI 19
assign (resid   18 and name     C) (resid   19 and name     N)
       (resid   19 and name    CA) (resid   19 and name     C)   1.0 -69.00 30.00 2
! PSI 19
assign (resid   19 and name     N) (resid   19 and name    CA)
       (resid   19 and name     C) (resid   20 and name     N)   1.0 -38.00 30.00 2
! PHI 20
assign (resid   19 and name     C) (resid   20 and name     N)
       (resid   20 and name    CA) (resid   20 and name     C)   1.0 -65.00 30.00 2
! PSI 20
assign (resid   20 and name     N) (resid   20 and name    CA)
       (resid   20 and name     C) (resid   21 and name     N)   1.0 -39.00 30.00 2
! PSI 20
assign (resid   20 and name     N) (resid   20 and name    CA)
       (resid   20 and name     C) (resid   21 and name     N)   1.0 -39.00 30.00 2
! PRE constraints: X 100 = micelle center
assi (resi    2 and name    HA) (resi  100 and name     X) 19.60 1.00 1.00
assi (resi    3 and name    HA) (resi  100 and name     X) 18.45 1.00 1.00
assi (resi    4 and name   HA#) (resi  100 and name     X) 23.15 1.00 1.00
assi (resi    5 and name    HA) (resi  100 and name     X) 20.84 1.00 1.00
assi (resi    6 and name    HA) (resi  100 and name     X) 16.49 1.00 1.00
assi (resi    7 and name    HA) (resi  100 and name     X) 19.78 1.00 1.00
assi (resi    8 and name    HA) (resi  100 and name     X) 22.22 1.00 1.00
assi (resi    9 and name    HA) (resi  100 and name     X) 18.37 1.00 1.00
assi (resi   10 and name    HA) (resi  100 and name     X) 17.90 1.00 1.00
assi (resi   11 and name   HA#) (resi  100 and name     X) 21.06 1.00 1.00
assi (resi   13 and name    HA) (resi  100 and name     X) 18.92 1.00 1.00
assi (resi   14 and name    HA) (resi  100 and name     X) 17.52 1.00 1.00
assi (resi   15 and name   HA#) (resi  100 and name     X) 21.78 1.00 1.00
assi (resi   16 and name    HA) (resi  100 and name     X) 20.43 1.00 1.00
assi (resi   17 and name    HA) (resi  100 and name     X) 16.49 1.00 1.00
assi (resi   18 and name    HA) (resi  100 and name     X) 19.14 1.00 1.00
assi (resi   19 and name    HA) (resi  100 and name     X) 22.36 1.00 1.00
assi (resi   20 and name    HA) (resi  100 and name     X) 22.39 1.00 1.00
assi (resi   21 and name    HA) (resi  100 and name     X) 21.16 1.00 1.00
assi (resi   21 and name    HA) (resi  100 and name     X) 21.16 1.00 1.00


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  -4.798 -16.672   2.607
    2    H2   GLY   1           H2       GLY   1  -4.799 -18.305   2.605
    3    H3   GLY   1           H3       GLY   1  -3.768 -17.489   3.283
    4    HA2  GLY   1           HA2      GLY   1  -2.451 -17.517   1.404
    5    HA3  GLY   1           HA3      GLY   1  -3.772 -18.370   0.618
    6    H    LEU   2           H        LEU   2  -5.624 -16.101   1.130
    7    HA   LEU   2           HA       LEU   2  -5.045 -14.650  -1.280
    8    HB2  LEU   2           HB2      LEU   2  -7.265 -14.509   0.741
    9    HB3  LEU   2           HB3      LEU   2  -7.160 -13.402  -0.627
   10    HG   LEU   2           HG       LEU   2  -7.365 -16.401  -0.877
   11   HD11  LEU   2          HD11      LEU   2  -9.553 -16.246  -0.573
   12   HD12  LEU   2          HD12      LEU   2  -9.663 -15.007  -1.823
   13   HD13  LEU   2          HD13      LEU   2  -9.362 -14.544  -0.148
   14   HD21  LEU   2          HD21      LEU   2  -6.432 -15.695  -2.861
   15   HD22  LEU   2          HD22      LEU   2  -7.233 -14.125  -2.805
   16   HD23  LEU   2          HD23      LEU   2  -8.154 -15.571  -3.222
   17    H    PHE   3           H        PHE   3  -5.897 -13.429   1.960
   18    HA   PHE   3           HA       PHE   3  -4.937 -10.849   1.584
   19    HB2  PHE   3           HB2      PHE   3  -6.041 -12.350   3.716
   20    HB3  PHE   3           HB3      PHE   3  -4.561 -11.614   4.323
   21    HD1  PHE   3           HD2      PHE   3  -7.914 -10.989   3.009
   22    HD2  PHE   3           HD1      PHE   3  -4.353  -9.220   4.526
   23    HE1  PHE   3           HE2      PHE   3  -9.104  -8.856   3.303
   24    HE2  PHE   3           HE1      PHE   3  -5.536  -7.084   4.823
   25    HZ   PHE   3           HZ       PHE   3  -7.915  -6.899   4.210
   26    H    GLY   4           H        GLY   4  -3.240 -13.783   2.370
   27    HA2  GLY   4           HA2      GLY   4  -0.910 -12.858   3.521
   28    HA3  GLY   4           HA3      GLY   4  -0.990 -14.243   2.443
   29    H    VAL   5           H        VAL   5  -1.930 -12.597   0.187
   30    HA   VAL   5           HA       VAL   5   0.691 -11.555  -0.595
   31    HB   VAL   5           HB       VAL   5  -1.738 -12.159  -2.287
   32   HG11  VAL   5          HG11      VAL   5   1.004 -11.143  -2.968
   33   HG12  VAL   5          HG12      VAL   5   0.003 -11.989  -4.149
   34   HG13  VAL   5          HG13      VAL   5  -0.564 -10.481  -3.429
   35   HG21  VAL   5          HG21      VAL   5   0.381 -13.809  -3.019
   36   HG22  VAL   5          HG22      VAL   5   0.393 -13.814  -1.256
   37   HG23  VAL   5          HG23      VAL   5  -1.068 -14.277  -2.129
   38    H    LEU   6           H        LEU   6  -2.524 -10.529   0.136
   39    HA   LEU   6           HA       LEU   6  -2.745  -8.146  -1.249
   40    HB2  LEU   6           HB2      LEU   6  -3.816  -9.203   1.296
   41    HB3  LEU   6           HB3      LEU   6  -3.920  -7.460   1.059
   42    HG   LEU   6           HG       LEU   6  -5.041  -9.494  -0.865
   43   HD11  LEU   6          HD11      LEU   6  -7.179  -8.252   0.271
   44   HD12  LEU   6          HD12      LEU   6  -6.092  -8.423   1.649
   45   HD13  LEU   6          HD13      LEU   6  -6.576  -9.846   0.726
   46   HD21  LEU   6          HD21      LEU   6  -4.405  -6.980  -1.438
   47   HD22  LEU   6          HD22      LEU   6  -5.973  -6.683  -0.686
   48   HD23  LEU   6          HD23      LEU   6  -5.854  -7.753  -2.083
   49    H    ALA   7           H        ALA   7  -0.738  -8.938   1.471
   50    HA   ALA   7           HA       ALA   7  -0.195  -6.383   2.470
   51    HB1  ALA   7           HB1      ALA   7   0.764  -7.804   3.905
   52    HB2  ALA   7           HB2      ALA   7   1.004  -9.038   2.667
   53    HB3  ALA   7           HB3      ALA   7   2.164  -7.720   2.834
   54    H    LYS   8           H        LYS   8   0.909  -7.993  -0.400
   55    HA   LYS   8           HA       LYS   8   3.239  -6.516  -0.918
   56    HB2  LYS   8           HB2      LYS   8   1.965  -8.586  -2.144
   57    HB3  LYS   8           HB3      LYS   8   1.615  -7.274  -3.262
   58    HG2  LYS   8           HG2      LYS   8   4.414  -7.476  -2.374
   59    HG3  LYS   8           HG3      LYS   8   3.823  -8.803  -3.377
   60    HD2  LYS   8           HD2      LYS   8   3.589  -7.488  -5.215
   61    HD3  LYS   8           HD3      LYS   8   3.158  -6.060  -4.270
   62    HE2  LYS   8           HE2      LYS   8   5.424  -5.628  -3.729
   63    HE3  LYS   8           HE3      LYS   8   5.940  -7.206  -4.322
   64    HZ1  LYS   8           HZ1      LYS   8   4.972  -6.322  -6.547
   65    HZ2  LYS   8           HZ2      LYS   8   6.518  -5.846  -6.054
   66    HZ3  LYS   8           HZ3      LYS   8   5.204  -4.802  -5.842
   67    H    VAL   9           H        VAL   9  -0.045  -5.599  -0.984
   68    HA   VAL   9           HA       VAL   9   0.703  -3.016  -2.160
   69    HB   VAL   9           HB       VAL   9  -1.940  -4.305  -2.804
   70   HG11  VAL   9          HG11      VAL   9  -1.766  -2.658  -4.727
   71   HG12  VAL   9          HG12      VAL   9  -2.007  -1.968  -3.120
   72   HG13  VAL   9          HG13      VAL   9  -0.406  -1.944  -3.860
   73   HG21  VAL   9          HG21      VAL   9  -0.798  -4.618  -5.117
   74   HG22  VAL   9          HG22      VAL   9   0.698  -4.602  -4.182
   75   HG23  VAL   9          HG23      VAL   9  -0.536  -5.818  -3.851
   76    H    ALA  10           H        ALA  10   0.621  -3.325   0.502
   77    HA   ALA  10           HA       ALA  10  -1.500  -1.549   1.266
   78    HB1  ALA  10           HB1      ALA  10  -2.553  -2.935   2.921
   79    HB2  ALA  10           HB2      ALA  10  -2.618  -3.764   1.365
   80    HB3  ALA  10           HB3      ALA  10  -1.441  -4.261   2.580
   81    HB2  I4G  11           HB2      I4G  11  -0.289  -0.014   0.889
   82    HB3  I4G  11           HB3      I4G  11   0.597   1.155   1.607
   83    HG   I4G  11           HG       I4G  11  -1.989   0.335   2.814
   84   HD13  I4G  11          HD13      I4G  11  -0.464   3.001   2.836
   85   HD11  I4G  11          HD11      I4G  11  -2.002   2.696   3.664
   86   HD12  I4G  11          HD12      I4G  11  -0.540   1.844   4.172
   87   HD23  I4G  11          HD23      I4G  11  -2.493   0.860   0.435
   88   HD22  I4G  11          HD22      I4G  11  -1.684   2.427   0.597
   89   HD21  I4G  11          HD21      I4G  11  -3.167   2.093   1.510
   90    HA2  I4G  11           HA2      I4G  11   1.902  -0.784   4.066
   91    HA3  I4G  11           HA3      I4G  11   1.081   0.620   4.211
   92    H    HIS  12           H        HIS  12   2.432  -0.541   1.309
   93    HA   HIS  12           HA       HIS  12   4.500   1.548   1.426
   94    HB2  HIS  12           HB2      HIS  12   5.874   0.234   0.102
   95    HB3  HIS  12           HB3      HIS  12   5.025  -0.990   1.040
   96    HD1  HIS  12           HD1      HIS  12   6.176  -0.671  -2.173
   97    HD2  HIS  12           HD2      HIS  12   2.402  -1.527  -0.661
   98    HE1  HIS  12           HE1      HIS  12   4.954  -1.836  -4.036
   99    H    VAL  13           H        VAL  13   1.611   0.603  -0.127
  100    HA   VAL  13           HA       VAL  13   1.846   1.660  -2.675
  101    HB   VAL  13           HB       VAL  13  -0.559   1.634  -0.851
  102   HG11  VAL  13          HG11      VAL  13  -1.115   3.263  -2.424
  103   HG12  VAL  13          HG12      VAL  13  -0.275   2.424  -3.730
  104   HG13  VAL  13          HG13      VAL  13  -1.793   1.782  -3.100
  105   HG21  VAL  13          HG21      VAL  13  -1.219  -0.298  -2.256
  106   HG22  VAL  13          HG22      VAL  13   0.344  -0.203  -3.067
  107   HG23  VAL  13          HG23      VAL  13   0.266  -0.576  -1.345
  108    H    VAL  14           H        VAL  14   0.617   3.331   0.228
  109    HA   VAL  14           HA       VAL  14   0.215   5.836  -0.865
  110    HB   VAL  14           HB       VAL  14   1.167   5.161   1.921
  111   HG11  VAL  14          HG11      VAL  14   1.639   7.461   1.576
  112   HG12  VAL  14          HG12      VAL  14   0.095   7.724   0.763
  113   HG13  VAL  14          HG13      VAL  14   0.135   7.384   2.494
  114   HG21  VAL  14          HG21      VAL  14  -1.103   4.314   0.877
  115   HG22  VAL  14          HG22      VAL  14  -1.020   4.897   2.539
  116   HG23  VAL  14          HG23      VAL  14  -1.623   5.955   1.263
  117    H    GLY  15           H        GLY  15   3.205   4.394   0.338
  118    HA2  GLY  15           HA2      GLY  15   4.808   6.704   0.266
  119    HA3  GLY  15           HA3      GLY  15   5.396   5.052   0.154
  120    H    ALA  16           H        ALA  16   3.635   4.676  -2.279
  121    HA   ALA  16           HA       ALA  16   5.572   5.750  -4.185
  122    HB1  ALA  16           HB1      ALA  16   5.153   3.958  -5.492
  123    HB2  ALA  16           HB2      ALA  16   4.557   3.270  -3.981
  124    HB3  ALA  16           HB3      ALA  16   3.425   3.967  -5.139
  125    H    ILE  17           H        ILE  17   2.032   5.471  -3.863
  126    HA   ILE  17           HA       ILE  17   1.323   7.052  -6.036
  127    HB   ILE  17           HB       ILE  17  -0.139   6.763  -3.408
  128   HG12  ILE  17          HG12      ILE  17  -0.386   5.246  -6.014
  129   HG13  ILE  17          HG13      ILE  17   0.275   4.617  -4.509
  130   HG21  ILE  17          HG21      ILE  17  -1.129   7.703  -6.096
  131   HG22  ILE  17          HG22      ILE  17  -2.136   7.407  -4.680
  132   HG23  ILE  17          HG23      ILE  17  -0.931   8.694  -4.652
  133   HD11  ILE  17          HD11      ILE  17  -2.571   5.420  -5.046
  134   HD12  ILE  17          HD12      ILE  17  -1.946   3.792  -4.778
  135   HD13  ILE  17          HD13      ILE  17  -1.946   4.964  -3.461
  136    H    ALA  18           H        ALA  18   2.241   7.972  -2.769
  137    HA   ALA  18           HA       ALA  18   1.523  10.720  -3.031
  138    HB1  ALA  18           HB1      ALA  18   2.571  11.045  -0.929
  139    HB2  ALA  18           HB2      ALA  18   1.791   9.463  -0.866
  140    HB3  ALA  18           HB3      ALA  18   3.535   9.578  -1.107
  141    H    GLU  19           H        GLU  19   4.101   8.861  -4.222
  142    HA   GLU  19           HA       GLU  19   6.133  10.857  -4.226
  143    HB2  GLU  19           HB2      GLU  19   6.277   8.251  -4.558
  144    HB3  GLU  19           HB3      GLU  19   6.054   8.659  -6.254
  145    HG2  GLU  19           HG2      GLU  19   8.055  10.360  -5.139
  146    HG3  GLU  19           HG3      GLU  19   8.432   8.682  -4.753
  147    H    HIS  20           H        HIS  20   3.925   9.639  -6.739
  148    HA   HIS  20           HA       HIS  20   4.752  11.634  -8.634
  149    HB2  HIS  20           HB2      HIS  20   3.367  10.567 -10.158
  150    HB3  HIS  20           HB3      HIS  20   3.775   9.247  -9.065
  151    HD1  HIS  20           HD1      HIS  20   0.938  11.486 -10.056
  152    HD2  HIS  20           HD2      HIS  20   1.649   8.224  -7.584
  153    HE1  HIS  20           HE1      HIS  20  -1.333  10.672  -9.348
  154    H    PHE  21           H        PHE  21   2.367  11.390  -6.154
  155    HA   PHE  21           HA       PHE  21   0.866  13.673  -7.188
  156    HB2  PHE  21           HB2      PHE  21   0.030  11.424  -5.889
  157    HB3  PHE  21           HB3      PHE  21   0.126  12.572  -4.557
  158    HD1  PHE  21           HD1      PHE  21  -1.007  12.711  -8.114
  159    HD2  PHE  21           HD2      PHE  21  -1.894  13.500  -4.026
  160    HE1  PHE  21           HE1      PHE  21  -3.186  13.646  -8.771
  161    HE2  PHE  21           HE2      PHE  21  -4.075  14.435  -4.676
  162    HZ   PHE  21           HZ       PHE  21  -4.724  14.508  -7.051
  163    HN1  NH2  22           HN1      NH2  22   3.814  13.764  -6.130
  164    HN2  NH2  22           HN2      NH2  22   3.795  15.001  -4.836
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1  -4.859 -18.939   2.034
    2    H2   GLY   1           H2       GLY   1  -4.952 -18.306   0.531
    3    H3   GLY   1           H3       GLY   1  -3.810 -19.120   1.005
    4    HA2  GLY   1           HA2      GLY   1  -4.185 -16.931   2.795
    5    HA3  GLY   1           HA3      GLY   1  -2.708 -17.318   1.924
    6    H    LEU   2           H        LEU   2  -5.969 -16.018   1.312
    7    HA   LEU   2           HA       LEU   2  -5.249 -14.667  -1.064
    8    HB2  LEU   2           HB2      LEU   2  -7.588 -15.230   0.225
    9    HB3  LEU   2           HB3      LEU   2  -7.440 -13.493   0.490
   10    HG   LEU   2           HG       LEU   2  -8.810 -13.952  -1.458
   11   HD11  LEU   2          HD11      LEU   2  -7.624 -12.582  -3.085
   12   HD12  LEU   2          HD12      LEU   2  -6.111 -12.844  -2.220
   13   HD13  LEU   2          HD13      LEU   2  -7.419 -11.942  -1.455
   14   HD21  LEU   2          HD21      LEU   2  -8.374 -15.633  -2.836
   15   HD22  LEU   2          HD22      LEU   2  -6.904 -15.989  -1.926
   16   HD23  LEU   2          HD23      LEU   2  -6.847 -14.884  -3.301
   17    H    PHE   3           H        PHE   3  -6.052 -13.282   2.128
   18    HA   PHE   3           HA       PHE   3  -5.100 -10.707   1.543
   19    HB2  PHE   3           HB2      PHE   3  -6.342 -11.984   3.718
   20    HB3  PHE   3           HB3      PHE   3  -4.841 -11.316   4.352
   21    HD1  PHE   3           HD1      PHE   3  -4.425  -8.900   4.268
   22    HD2  PHE   3           HD2      PHE   3  -8.137 -10.577   3.031
   23    HE1  PHE   3           HE1      PHE   3  -5.470  -6.677   4.400
   24    HE2  PHE   3           HE2      PHE   3  -9.187  -8.355   3.160
   25    HZ   PHE   3           HZ       PHE   3  -7.853  -6.401   3.845
   26    H    GLY   4           H        GLY   4  -3.482 -13.594   2.620
   27    HA2  GLY   4           HA2      GLY   4  -1.176 -12.608   3.773
   28    HA3  GLY   4           HA3      GLY   4  -1.245 -14.080   2.816
   29    H    VAL   5           H        VAL   5  -2.104 -12.561   0.413
   30    HA   VAL   5           HA       VAL   5   0.571 -11.680  -0.387
   31    HB   VAL   5           HB       VAL   5  -1.854 -12.300  -2.081
   32   HG11  VAL   5          HG11      VAL   5   0.949 -11.475  -2.790
   33   HG12  VAL   5          HG12      VAL   5  -0.110 -12.311  -3.928
   34   HG13  VAL   5          HG13      VAL   5  -0.571 -10.734  -3.286
   35   HG21  VAL   5          HG21      VAL   5  -1.082 -14.331  -1.158
   36   HG22  VAL   5          HG22      VAL   5  -0.402 -14.257  -2.784
   37   HG23  VAL   5          HG23      VAL   5   0.609 -13.883  -1.388
   38    H    LEU   6           H        LEU   6  -2.632 -10.488   0.168
   39    HA   LEU   6           HA       LEU   6  -2.662  -8.175  -1.368
   40    HB2  LEU   6           HB2      LEU   6  -3.947  -9.032   1.165
   41    HB3  LEU   6           HB3      LEU   6  -4.001  -7.316   0.766
   42    HG   LEU   6           HG       LEU   6  -5.042  -9.530  -1.000
   43   HD11  LEU   6          HD11      LEU   6  -7.015  -9.421   0.028
   44   HD12  LEU   6          HD12      LEU   6  -6.966  -7.661   0.119
   45   HD13  LEU   6          HD13      LEU   6  -6.157  -8.630   1.351
   46   HD21  LEU   6          HD21      LEU   6  -6.217  -7.093  -1.650
   47   HD22  LEU   6          HD22      LEU   6  -4.998  -7.966  -2.579
   48   HD23  LEU   6          HD23      LEU   6  -4.507  -6.725  -1.425
   49    H    ALA   7           H        ALA   7  -0.852  -8.924   1.484
   50    HA   ALA   7           HA       ALA   7  -0.296  -6.336   2.419
   51    HB1  ALA   7           HB1      ALA   7   0.276  -8.792   3.323
   52    HB2  ALA   7           HB2      ALA   7   1.847  -8.358   2.645
   53    HB3  ALA   7           HB3      ALA   7   1.108  -7.340   3.881
   54    H    LYS   8           H        LYS   8   0.959  -8.142  -0.270
   55    HA   LYS   8           HA       LYS   8   3.378  -6.790  -0.683
   56    HB2  LYS   8           HB2      LYS   8   2.116  -8.863  -1.901
   57    HB3  LYS   8           HB3      LYS   8   1.883  -7.597  -3.099
   58    HG2  LYS   8           HG2      LYS   8   4.610  -7.914  -1.999
   59    HG3  LYS   8           HG3      LYS   8   4.017  -9.186  -3.070
   60    HD2  LYS   8           HD2      LYS   8   3.282  -7.002  -4.469
   61    HD3  LYS   8           HD3      LYS   8   4.720  -6.380  -3.655
   62    HE2  LYS   8           HE2      LYS   8   5.856  -8.539  -4.464
   63    HE3  LYS   8           HE3      LYS   8   4.480  -8.691  -5.556
   64    HZ1  LYS   8           HZ1      LYS   8   5.016  -6.532  -6.484
   65    HZ2  LYS   8           HZ2      LYS   8   6.345  -7.571  -6.613
   66    HZ3  LYS   8           HZ3      LYS   8   6.325  -6.366  -5.426
   67    H    VAL   9           H        VAL   9   0.143  -5.755  -1.075
   68    HA   VAL   9           HA       VAL   9   1.098  -3.258  -2.289
   69    HB   VAL   9           HB       VAL   9  -1.542  -4.460  -3.087
   70   HG11  VAL   9          HG11      VAL   9  -1.148  -2.927  -5.061
   71   HG12  VAL   9          HG12      VAL   9  -1.448  -2.136  -3.513
   72   HG13  VAL   9          HG13      VAL   9   0.195  -2.244  -4.145
   73   HG21  VAL   9          HG21      VAL   9  -0.182  -6.090  -3.970
   74   HG22  VAL   9          HG22      VAL   9  -0.197  -4.918  -5.288
   75   HG23  VAL   9          HG23      VAL   9   1.179  -4.990  -4.187
   76    H    ALA  10           H        ALA  10   0.776  -3.469   0.378
   77    HA   ALA  10           HA       ALA  10  -1.332  -1.575   0.881
   78    HB1  ALA  10           HB1      ALA  10  -2.664  -3.548   1.073
   79    HB2  ALA  10           HB2      ALA  10  -1.462  -4.324   2.105
   80    HB3  ALA  10           HB3      ALA  10  -2.369  -2.934   2.700
   81    HB2  I4G  11           HB2      I4G  11  -0.156  -0.108   0.541
   82    HB3  I4G  11           HB3      I4G  11   0.852   1.026   1.145
   83    HG   I4G  11           HG       I4G  11  -0.782   2.050   2.490
   84   HD13  I4G  11          HD13      I4G  11  -2.243   1.079  -0.031
   85   HD11  I4G  11          HD11      I4G  11  -2.775   2.413   1.009
   86   HD12  I4G  11          HD12      I4G  11  -1.269   2.549   0.096
   87   HD23  I4G  11          HD23      I4G  11  -1.550  -0.077   3.526
   88   HD22  I4G  11          HD22      I4G  11  -2.451  -0.482   2.056
   89   HD21  I4G  11          HD21      I4G  11  -2.928   0.918   3.035
   90    HA2  I4G  11           HA2      I4G  11   1.899  -0.741   3.858
   91    HA3  I4G  11           HA3      I4G  11   1.087   0.676   3.899
   92    H    HIS  12           H        HIS  12   2.662  -0.661   1.178
   93    HA   HIS  12           HA       HIS  12   4.757   1.387   1.349
   94    HB2  HIS  12           HB2      HIS  12   6.120   0.022   0.039
   95    HB3  HIS  12           HB3      HIS  12   5.237  -1.144   1.021
   96    HD1  HIS  12           HD1      HIS  12   6.396  -0.937  -2.214
   97    HD2  HIS  12           HD2      HIS  12   2.628  -1.732  -0.656
   98    HE1  HIS  12           HE1      HIS  12   5.160  -2.158  -4.032
   99    H    VAL  13           H        VAL  13   1.955   0.463  -0.419
  100    HA   VAL  13           HA       VAL  13   2.402   1.605  -2.911
  101    HB   VAL  13           HB       VAL  13  -0.166   1.441  -1.331
  102   HG11  VAL  13          HG11      VAL  13  -1.180   1.611  -3.683
  103   HG12  VAL  13          HG12      VAL  13  -0.612   3.096  -2.917
  104   HG13  VAL  13          HG13      VAL  13   0.371   2.307  -4.152
  105   HG21  VAL  13          HG21      VAL  13   1.233  -0.636  -2.146
  106   HG22  VAL  13          HG22      VAL  13  -0.525  -0.613  -2.279
  107   HG23  VAL  13          HG23      VAL  13   0.470  -0.259  -3.691
  108    H    VAL  14           H        VAL  14   0.894   3.119  -0.057
  109    HA   VAL  14           HA       VAL  14   0.444   5.642  -1.066
  110    HB   VAL  14           HB       VAL  14   1.335   4.929   1.731
  111   HG11  VAL  14          HG11      VAL  14   1.658   7.251   1.525
  112   HG12  VAL  14          HG12      VAL  14   0.183   7.454   0.577
  113   HG13  VAL  14          HG13      VAL  14   0.082   7.068   2.295
  114   HG21  VAL  14          HG21      VAL  14  -1.379   5.542   1.703
  115   HG22  VAL  14          HG22      VAL  14  -1.131   4.534   0.276
  116   HG23  VAL  14          HG23      VAL  14  -0.657   3.942   1.868
  117    H    GLY  15           H        GLY  15   3.454   4.259   0.129
  118    HA2  GLY  15           HA2      GLY  15   4.985   6.592   0.304
  119    HA3  GLY  15           HA3      GLY  15   5.625   4.986  -0.013
  120    H    ALA  16           H        ALA  16   4.051   4.697  -2.485
  121    HA   ALA  16           HA       ALA  16   5.841   6.229  -4.214
  122    HB1  ALA  16           HB1      ALA  16   4.267   4.498  -5.768
  123    HB2  ALA  16           HB2      ALA  16   5.960   4.305  -5.312
  124    HB3  ALA  16           HB3      ALA  16   4.691   3.607  -4.306
  125    H    ILE  17           H        ILE  17   2.380   5.537  -3.823
  126    HA   ILE  17           HA       ILE  17   1.403   7.069  -5.927
  127    HB   ILE  17           HB       ILE  17   0.104   6.620  -3.237
  128   HG12  ILE  17          HG12      ILE  17   0.684   4.513  -4.307
  129   HG13  ILE  17          HG13      ILE  17  -1.057   4.759  -4.390
  130   HG21  ILE  17          HG21      ILE  17  -0.936   7.647  -5.856
  131   HG22  ILE  17          HG22      ILE  17  -2.000   6.883  -4.678
  132   HG23  ILE  17          HG23      ILE  17  -1.111   8.342  -4.244
  133   HD11  ILE  17          HD11      ILE  17   0.959   5.043  -6.593
  134   HD12  ILE  17          HD12      ILE  17  -0.396   3.918  -6.484
  135   HD13  ILE  17          HD13      ILE  17  -0.695   5.640  -6.721
  136    H    ALA  18           H        ALA  18   2.333   8.024  -2.666
  137    HA   ALA  18           HA       ALA  18   1.367  10.704  -2.895
  138    HB1  ALA  18           HB1      ALA  18   3.300   9.441  -0.959
  139    HB2  ALA  18           HB2      ALA  18   2.692  11.091  -0.829
  140    HB3  ALA  18           HB3      ALA  18   1.577   9.729  -0.713
  141    H    GLU  19           H        GLU  19   4.010   9.104  -4.215
  142    HA   GLU  19           HA       GLU  19   5.891  11.268  -4.159
  143    HB2  GLU  19           HB2      GLU  19   6.276   8.685  -4.483
  144    HB3  GLU  19           HB3      GLU  19   6.025   9.068  -6.180
  145    HG2  GLU  19           HG2      GLU  19   8.292   9.254  -6.034
  146    HG3  GLU  19           HG3      GLU  19   7.810  10.920  -5.719
  147    H    HIS  20           H        HIS  20   3.804   9.847  -6.666
  148    HA   HIS  20           HA       HIS  20   4.451  11.895  -8.573
  149    HB2  HIS  20           HB2      HIS  20   3.197  10.687 -10.092
  150    HB3  HIS  20           HB3      HIS  20   3.660   9.417  -8.962
  151    HD1  HIS  20           HD1      HIS  20   0.724  11.295 -10.243
  152    HD2  HIS  20           HD2      HIS  20   1.556   8.449  -7.333
  153    HE1  HIS  20           HE1      HIS  20  -1.511  10.393  -9.527
  154    H    PHE  21           H        PHE  21   2.096  11.457  -6.090
  155    HA   PHE  21           HA       PHE  21   0.692  13.880  -7.007
  156    HB2  PHE  21           HB2      PHE  21  -0.411  11.377  -6.567
  157    HB3  PHE  21           HB3      PHE  21  -0.777  12.250  -5.082
  158    HD1  PHE  21           HD2      PHE  21  -0.910  12.720  -8.779
  159    HD2  PHE  21           HD1      PHE  21  -2.699  13.503  -4.997
  160    HE1  PHE  21           HE2      PHE  21  -2.793  13.833  -9.904
  161    HE2  PHE  21           HE1      PHE  21  -4.586  14.616  -6.117
  162    HZ   PHE  21           HZ       PHE  21  -4.633  14.784  -8.573
  163    HN1  NH2  22           HN1      NH2  22   3.234  13.853  -5.435
  164    HN2  NH2  22           HN2      NH2  22   2.868  14.546  -3.826
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1  -1.588 -16.495   1.564
    2    H2   GLY   1           H2       GLY   1  -1.934 -17.457   2.838
    3    H3   GLY   1           H3       GLY   1  -1.620 -17.972   1.487
    4    HA2  GLY   1           HA2      GLY   1  -3.871 -18.034   1.026
    5    HA3  GLY   1           HA3      GLY   1  -4.127 -17.110   2.499
    6    H    LEU   2           H        LEU   2  -5.857 -16.262   0.956
    7    HA   LEU   2           HA       LEU   2  -5.304 -14.656  -1.234
    8    HB2  LEU   2           HB2      LEU   2  -7.556 -15.385  -0.445
    9    HB3  LEU   2           HB3      LEU   2  -7.456 -14.159   0.817
   10    HG   LEU   2           HG       LEU   2  -7.012 -12.701  -1.467
   11   HD11  LEU   2          HD11      LEU   2  -8.727 -13.334  -3.054
   12   HD12  LEU   2          HD12      LEU   2  -9.153 -14.735  -2.073
   13   HD13  LEU   2          HD13      LEU   2  -7.574 -14.652  -2.852
   14   HD21  LEU   2          HD21      LEU   2  -9.490 -12.104  -1.156
   15   HD22  LEU   2          HD22      LEU   2  -8.395 -11.839   0.202
   16   HD23  LEU   2          HD23      LEU   2  -9.454 -13.250   0.186
   17    H    PHE   3           H        PHE   3  -6.064 -13.399   2.018
   18    HA   PHE   3           HA       PHE   3  -5.135 -10.804   1.517
   19    HB2  PHE   3           HB2      PHE   3  -6.319 -12.182   3.672
   20    HB3  PHE   3           HB3      PHE   3  -4.828 -11.485   4.298
   21    HD1  PHE   3           HD2      PHE   3  -8.076 -10.739   2.754
   22    HD2  PHE   3           HD1      PHE   3  -4.575  -9.131   4.563
   23    HE1  PHE   3           HE2      PHE   3  -9.189  -8.553   2.956
   24    HE2  PHE   3           HE1      PHE   3  -5.682  -6.943   4.769
   25    HZ   PHE   3           HZ       PHE   3  -7.992  -6.652   3.964
   26    H    GLY   4           H        GLY   4  -3.473 -13.707   2.484
   27    HA2  GLY   4           HA2      GLY   4  -1.161 -12.733   3.635
   28    HA3  GLY   4           HA3      GLY   4  -1.228 -14.175   2.633
   29    H    VAL   5           H        VAL   5  -2.131 -12.598   0.287
   30    HA   VAL   5           HA       VAL   5   0.522 -11.657  -0.516
   31    HB   VAL   5           HB       VAL   5  -1.913 -12.262  -2.200
   32   HG11  VAL   5          HG11      VAL   5  -0.595 -10.595  -3.300
   33   HG12  VAL   5          HG12      VAL   5   0.895 -11.477  -2.964
   34   HG13  VAL   5          HG13      VAL   5  -0.289 -12.142  -4.091
   35   HG21  VAL   5          HG21      VAL   5  -0.799 -14.273  -2.851
   36   HG22  VAL   5          HG22      VAL   5   0.656 -13.820  -1.964
   37   HG23  VAL   5          HG23      VAL   5  -0.821 -14.218  -1.088
   38    H    LEU   6           H        LEU   6  -2.687 -10.525   0.117
   39    HA   LEU   6           HA       LEU   6  -2.777  -8.173  -1.352
   40    HB2  LEU   6           HB2      LEU   6  -4.013  -9.138   1.158
   41    HB3  LEU   6           HB3      LEU   6  -4.069  -7.401   0.859
   42    HG   LEU   6           HG       LEU   6  -5.117  -9.472  -1.065
   43   HD11  LEU   6          HD11      LEU   6  -7.324  -8.283  -0.144
   44   HD12  LEU   6          HD12      LEU   6  -6.333  -8.207   1.313
   45   HD13  LEU   6          HD13      LEU   6  -6.668  -9.764   0.554
   46   HD21  LEU   6          HD21      LEU   6  -6.215  -6.786  -1.147
   47   HD22  LEU   6          HD22      LEU   6  -5.566  -7.784  -2.448
   48   HD23  LEU   6          HD23      LEU   6  -4.479  -6.814  -1.453
   49    H    ALA   7           H        ALA   7  -0.907  -8.968   1.449
   50    HA   ALA   7           HA       ALA   7  -0.365  -6.401   2.440
   51    HB1  ALA   7           HB1      ALA   7   0.755  -7.576   3.950
   52    HB2  ALA   7           HB2      ALA   7   0.465  -9.031   2.995
   53    HB3  ALA   7           HB3      ALA   7   1.929  -8.082   2.734
   54    H    LYS   8           H        LYS   8   0.861  -8.116  -0.321
   55    HA   LYS   8           HA       LYS   8   3.251  -6.712  -0.744
   56    HB2  LYS   8           HB2      LYS   8   2.000  -8.778  -1.988
   57    HB3  LYS   8           HB3      LYS   8   1.731  -7.488  -3.153
   58    HG2  LYS   8           HG2      LYS   8   4.316  -7.092  -2.774
   59    HG3  LYS   8           HG3      LYS   8   4.258  -8.796  -2.313
   60    HD2  LYS   8           HD2      LYS   8   3.166  -9.310  -4.465
   61    HD3  LYS   8           HD3      LYS   8   3.311  -7.611  -4.923
   62    HE2  LYS   8           HE2      LYS   8   5.731  -9.161  -4.094
   63    HE3  LYS   8           HE3      LYS   8   5.094  -9.325  -5.729
   64    HZ1  LYS   8           HZ1      LYS   8   6.116  -7.454  -6.269
   65    HZ2  LYS   8           HZ2      LYS   8   6.709  -7.286  -4.695
   66    HZ3  LYS   8           HZ3      LYS   8   5.220  -6.601  -5.114
   67    H    VAL   9           H        VAL   9  -0.005  -5.722  -1.041
   68    HA   VAL   9           HA       VAL   9   0.881  -3.190  -2.238
   69    HB   VAL   9           HB       VAL   9  -1.775  -4.405  -2.956
   70   HG11  VAL   9          HG11      VAL   9  -1.718  -2.076  -3.352
   71   HG12  VAL   9          HG12      VAL   9  -0.097  -2.158  -4.044
   72   HG13  VAL   9          HG13      VAL   9  -1.467  -2.841  -4.920
   73   HG21  VAL   9          HG21      VAL   9   0.907  -4.975  -4.079
   74   HG22  VAL   9          HG22      VAL   9  -0.523  -6.003  -3.983
   75   HG23  VAL   9          HG23      VAL   9  -0.419  -4.752  -5.221
   76    H    ALA  10           H        ALA  10   0.655  -3.462   0.439
   77    HA   ALA  10           HA       ALA  10  -1.444  -1.589   1.052
   78    HB1  ALA  10           HB1      ALA  10  -1.521  -4.371   2.202
   79    HB2  ALA  10           HB2      ALA  10  -2.395  -3.002   2.890
   80    HB3  ALA  10           HB3      ALA  10  -2.769  -3.557   1.258
   81    HB2  I4G  11           HB2      I4G  11  -0.304  -0.105   0.713
   82    HB3  I4G  11           HB3      I4G  11   0.727   1.018   1.297
   83    HG   I4G  11           HG       I4G  11  -0.854   1.981   2.767
   84   HD13  I4G  11          HD13      I4G  11  -2.371   1.172   0.222
   85   HD11  I4G  11          HD11      I4G  11  -2.867   2.453   1.344
   86   HD12  I4G  11          HD12      I4G  11  -1.375   2.620   0.413
   87   HD23  I4G  11          HD23      I4G  11  -1.634  -0.191   3.695
   88   HD22  I4G  11          HD22      I4G  11  -2.566  -0.501   2.221
   89   HD21  I4G  11          HD21      I4G  11  -3.006   0.848   3.285
   90    HA2  I4G  11           HA2      I4G  11   1.878  -0.795   3.940
   91    HA3  I4G  11           HA3      I4G  11   1.060   0.615   4.035
   92    H    HIS  12           H        HIS  12   2.544  -0.652   1.234
   93    HA   HIS  12           HA       HIS  12   4.626   1.415   1.374
   94    HB2  HIS  12           HB2      HIS  12   5.974   0.080   0.027
   95    HB3  HIS  12           HB3      HIS  12   5.117  -1.114   0.996
   96    HD1  HIS  12           HD1      HIS  12   6.217  -0.815  -2.256
   97    HD2  HIS  12           HD2      HIS  12   2.490  -1.698  -0.646
   98    HE1  HIS  12           HE1      HIS  12   4.962  -2.009  -4.079
   99    H    VAL  13           H        VAL  13   1.780   0.483  -0.311
  100    HA   VAL  13           HA       VAL  13   2.136   1.647  -2.808
  101    HB   VAL  13           HB       VAL  13  -0.383   1.471  -1.150
  102   HG11  VAL  13          HG11      VAL  13  -1.314   2.797  -2.678
  103   HG12  VAL  13          HG12      VAL  13   0.129   2.757  -3.694
  104   HG13  VAL  13          HG13      VAL  13  -1.084   1.483  -3.832
  105   HG21  VAL  13          HG21      VAL  13  -0.859  -0.520  -2.376
  106   HG22  VAL  13          HG22      VAL  13   0.521  -0.264  -3.444
  107   HG23  VAL  13          HG23      VAL  13   0.782  -0.666  -1.746
  108    H    VAL  14           H        VAL  14   0.878   3.124   0.174
  109    HA   VAL  14           HA       VAL  14   0.267   5.643  -0.760
  110    HB   VAL  14           HB       VAL  14   1.490   4.941   1.912
  111   HG11  VAL  14          HG11      VAL  14   1.705   7.212   1.939
  112   HG12  VAL  14          HG12      VAL  14   0.382   7.463   0.798
  113   HG13  VAL  14          HG13      VAL  14   0.033   7.073   2.482
  114   HG21  VAL  14          HG21      VAL  14  -1.162   4.579   0.751
  115   HG22  VAL  14          HG22      VAL  14  -0.440   3.840   2.181
  116   HG23  VAL  14          HG23      VAL  14  -1.182   5.435   2.293
  117    H    GLY  15           H        GLY  15   3.407   4.513   0.488
  118    HA2  GLY  15           HA2      GLY  15   4.825   6.893   0.227
  119    HA3  GLY  15           HA3      GLY  15   5.538   5.289   0.133
  120    H    ALA  16           H        ALA  16   3.730   4.718  -2.229
  121    HA   ALA  16           HA       ALA  16   5.544   5.814  -4.226
  122    HB1  ALA  16           HB1      ALA  16   3.515   4.132  -5.350
  123    HB2  ALA  16           HB2      ALA  16   5.257   3.862  -5.242
  124    HB3  ALA  16           HB3      ALA  16   4.203   3.364  -3.918
  125    H    ILE  17           H        ILE  17   2.015   5.516  -3.791
  126    HA   ILE  17           HA       ILE  17   1.236   7.088  -5.946
  127    HB   ILE  17           HB       ILE  17  -0.156   6.796  -3.281
  128   HG12  ILE  17          HG12      ILE  17  -0.454   5.259  -5.871
  129   HG13  ILE  17          HG13      ILE  17   0.258   4.647  -4.382
  130   HG21  ILE  17          HG21      ILE  17  -2.190   7.409  -4.506
  131   HG22  ILE  17          HG22      ILE  17  -0.999   8.709  -4.517
  132   HG23  ILE  17          HG23      ILE  17  -1.222   7.706  -5.950
  133   HD11  ILE  17          HD11      ILE  17  -1.911   4.908  -3.264
  134   HD12  ILE  17          HD12      ILE  17  -2.611   5.452  -4.789
  135   HD13  ILE  17          HD13      ILE  17  -1.984   3.809  -4.642
  136    H    ALA  18           H        ALA  18   2.233   8.018  -2.706
  137    HA   ALA  18           HA       ALA  18   1.493  10.766  -2.970
  138    HB1  ALA  18           HB1      ALA  18   1.610   9.961  -0.767
  139    HB2  ALA  18           HB2      ALA  18   3.216   9.274  -1.015
  140    HB3  ALA  18           HB3      ALA  18   3.008  11.023  -0.943
  141    H    GLU  19           H        GLU  19   4.046   8.908  -4.193
  142    HA   GLU  19           HA       GLU  19   6.084  10.905  -4.209
  143    HB2  GLU  19           HB2      GLU  19   6.225   8.294  -4.524
  144    HB3  GLU  19           HB3      GLU  19   6.008   8.696  -6.222
  145    HG2  GLU  19           HG2      GLU  19   8.356   8.469  -5.677
  146    HG3  GLU  19           HG3      GLU  19   7.979  10.126  -6.145
  147    H    HIS  20           H        HIS  20   3.848   9.673  -6.686
  148    HA   HIS  20           HA       HIS  20   4.669  11.645  -8.610
  149    HB2  HIS  20           HB2      HIS  20   3.277  10.562 -10.114
  150    HB3  HIS  20           HB3      HIS  20   3.674   9.254  -9.002
  151    HD1  HIS  20           HD1      HIS  20   0.856  11.473 -10.063
  152    HD2  HIS  20           HD2      HIS  20   1.542   8.304  -7.465
  153    HE1  HIS  20           HE1      HIS  20  -1.422  10.698  -9.331
  154    H    PHE  21           H        PHE  21   2.305  11.432  -6.108
  155    HA   PHE  21           HA       PHE  21   0.868  13.769  -7.138
  156    HB2  PHE  21           HB2      PHE  21  -0.098  11.484  -6.004
  157    HB3  PHE  21           HB3      PHE  21  -0.041  12.557  -4.610
  158    HD1  PHE  21           HD2      PHE  21  -0.979  12.920  -8.207
  159    HD2  PHE  21           HD1      PHE  21  -2.061  13.511  -4.134
  160    HE1  PHE  21           HE2      PHE  21  -3.094  13.952  -8.923
  161    HE2  PHE  21           HE1      PHE  21  -4.179  14.544  -4.843
  162    HZ   PHE  21           HZ       PHE  21  -4.698  14.767  -7.240
  163    HN1  NH2  22           HN1      NH2  22   3.755  13.731  -5.934
  164    HN2  NH2  22           HN2      NH2  22   3.700  14.896  -4.576
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  -1.904 -17.136   2.748
    2    H2   GLY   1           H2       GLY   1  -1.773 -18.100   1.437
    3    H3   GLY   1           H3       GLY   1  -1.560 -16.636   1.399
    4    HA2  GLY   1           HA2      GLY   1  -3.971 -18.003   1.037
    5    HA3  GLY   1           HA3      GLY   1  -4.128 -17.038   2.498
    6    H    LEU   2           H        LEU   2  -5.896 -16.199   0.960
    7    HA   LEU   2           HA       LEU   2  -5.321 -14.620  -1.258
    8    HB2  LEU   2           HB2      LEU   2  -7.580 -15.370  -0.082
    9    HB3  LEU   2           HB3      LEU   2  -7.473 -13.747   0.593
   10    HG   LEU   2           HG       LEU   2  -7.230 -14.089  -2.359
   11   HD11  LEU   2          HD11      LEU   2  -9.449 -15.061  -0.887
   12   HD12  LEU   2          HD12      LEU   2  -9.263 -14.920  -2.635
   13   HD13  LEU   2          HD13      LEU   2  -9.945 -13.582  -1.710
   14   HD21  LEU   2          HD21      LEU   2  -8.834 -11.980  -1.036
   15   HD22  LEU   2          HD22      LEU   2  -7.762 -11.883  -2.432
   16   HD23  LEU   2          HD23      LEU   2  -7.087 -11.929  -0.802
   17    H    PHE   3           H        PHE   3  -6.007 -13.426   2.038
   18    HA   PHE   3           HA       PHE   3  -5.120 -10.802   1.525
   19    HB2  PHE   3           HB2      PHE   3  -6.529 -11.896   3.518
   20    HB3  PHE   3           HB3      PHE   3  -4.951 -11.869   4.297
   21    HD1  PHE   3           HD1      PHE   3  -3.713  -9.644   4.387
   22    HD2  PHE   3           HD2      PHE   3  -7.848  -9.983   3.440
   23    HE1  PHE   3           HE1      PHE   3  -4.035  -7.273   4.960
   24    HE2  PHE   3           HE2      PHE   3  -8.177  -7.613   4.009
   25    HZ   PHE   3           HZ       PHE   3  -6.269  -6.254   4.771
   26    H    GLY   4           H        GLY   4  -3.457 -13.706   2.492
   27    HA2  GLY   4           HA2      GLY   4  -1.146 -12.730   3.643
   28    HA3  GLY   4           HA3      GLY   4  -1.213 -14.172   2.642
   29    H    VAL   5           H        VAL   5  -2.115 -12.598   0.295
   30    HA   VAL   5           HA       VAL   5   0.538 -11.656  -0.507
   31    HB   VAL   5           HB       VAL   5  -1.895 -12.264  -2.193
   32   HG11  VAL   5          HG11      VAL   5   0.152 -12.295  -3.924
   33   HG12  VAL   5          HG12      VAL   5  -0.820 -10.859  -3.604
   34   HG13  VAL   5          HG13      VAL   5   0.736 -11.067  -2.802
   35   HG21  VAL   5          HG21      VAL   5   0.646 -13.819  -1.723
   36   HG22  VAL   5          HG22      VAL   5  -0.980 -14.276  -1.215
   37   HG23  VAL   5          HG23      VAL   5  -0.573 -14.221  -2.931
   38    H    LEU   6           H        LEU   6  -2.670 -10.525   0.125
   39    HA   LEU   6           HA       LEU   6  -2.761  -8.175  -1.347
   40    HB2  LEU   6           HB2      LEU   6  -4.008  -9.151   1.149
   41    HB3  LEU   6           HB3      LEU   6  -4.048  -7.410   0.879
   42    HG   LEU   6           HG       LEU   6  -5.108  -9.438  -1.084
   43   HD11  LEU   6          HD11      LEU   6  -6.586  -9.734   0.647
   44   HD12  LEU   6          HD12      LEU   6  -7.332  -8.380  -0.203
   45   HD13  LEU   6          HD13      LEU   6  -6.378  -8.090   1.252
   46   HD21  LEU   6          HD21      LEU   6  -5.203  -7.691  -2.450
   47   HD22  LEU   6          HD22      LEU   6  -4.623  -6.609  -1.183
   48   HD23  LEU   6          HD23      LEU   6  -6.350  -6.939  -1.340
   49    H    ALA   7           H        ALA   7  -0.892  -8.968   1.456
   50    HA   ALA   7           HA       ALA   7  -0.355  -6.399   2.446
   51    HB1  ALA   7           HB1      ALA   7   1.742  -8.516   2.533
   52    HB2  ALA   7           HB2      ALA   7   1.225  -7.387   3.787
   53    HB3  ALA   7           HB3      ALA   7   0.218  -8.777   3.383
   54    H    LYS   8           H        LYS   8   0.879  -8.117  -0.311
   55    HA   LYS   8           HA       LYS   8   3.267  -6.709  -0.733
   56    HB2  LYS   8           HB2      LYS   8   2.022  -8.778  -1.976
   57    HB3  LYS   8           HB3      LYS   8   1.751  -7.489  -3.142
   58    HG2  LYS   8           HG2      LYS   8   4.111  -7.097  -3.341
   59    HG3  LYS   8           HG3      LYS   8   4.449  -8.251  -2.048
   60    HD2  LYS   8           HD2      LYS   8   3.560 -10.062  -3.412
   61    HD3  LYS   8           HD3      LYS   8   3.161  -8.917  -4.695
   62    HE2  LYS   8           HE2      LYS   8   5.420  -8.509  -5.182
   63    HE3  LYS   8           HE3      LYS   8   5.963  -9.213  -3.660
   64    HZ1  LYS   8           HZ1      LYS   8   4.674 -11.270  -4.841
   65    HZ2  LYS   8           HZ2      LYS   8   6.347 -11.022  -4.884
   66    HZ3  LYS   8           HZ3      LYS   8   5.380 -10.496  -6.170
   67    H    VAL   9           H        VAL   9   0.011  -5.723  -1.035
   68    HA   VAL   9           HA       VAL   9   0.896  -3.190  -2.231
   69    HB   VAL   9           HB       VAL   9  -1.758  -4.409  -2.955
   70   HG11  VAL   9          HG11      VAL   9  -0.079  -2.160  -4.039
   71   HG12  VAL   9          HG12      VAL   9  -1.447  -2.845  -4.919
   72   HG13  VAL   9          HG13      VAL   9  -1.701  -2.080  -3.349
   73   HG21  VAL   9          HG21      VAL   9  -0.492  -6.006  -3.969
   74   HG22  VAL   9          HG22      VAL   9  -0.406  -4.763  -5.217
   75   HG23  VAL   9          HG23      VAL   9   0.928  -4.967  -4.083
   76    H    ALA  10           H        ALA  10   0.664  -3.461   0.445
   77    HA   ALA  10           HA       ALA  10  -1.438  -1.591   1.053
   78    HB1  ALA  10           HB1      ALA  10  -2.588  -2.897   2.705
   79    HB2  ALA  10           HB2      ALA  10  -2.599  -3.785   1.180
   80    HB3  ALA  10           HB3      ALA  10  -1.485  -4.253   2.465
   81    HB2  I4G  11           HB2      I4G  11  -0.300  -0.106   0.718
   82    HB3  I4G  11           HB3      I4G  11   0.728   1.019   1.305
   83    HG   I4G  11           HG       I4G  11  -0.859   1.976   2.774
   84   HD13  I4G  11          HD13      I4G  11  -2.366   1.173   0.221
   85   HD11  I4G  11          HD11      I4G  11  -2.867   2.452   1.344
   86   HD12  I4G  11          HD12      I4G  11  -1.371   2.622   0.419
   87   HD23  I4G  11          HD23      I4G  11  -1.642  -0.198   3.693
   88   HD22  I4G  11          HD22      I4G  11  -2.567  -0.504   2.215
   89   HD21  I4G  11          HD21      I4G  11  -3.012   0.841   3.280
   90    HA2  I4G  11           HA2      I4G  11   1.874  -0.794   3.950
   91    HA3  I4G  11           HA3      I4G  11   1.055   0.616   4.044
   92    H    HIS  12           H        HIS  12   2.546  -0.649   1.244
   93    HA   HIS  12           HA       HIS  12   4.625   1.420   1.390
   94    HB2  HIS  12           HB2      HIS  12   5.979   0.087   0.048
   95    HB3  HIS  12           HB3      HIS  12   5.120  -1.108   1.015
   96    HD1  HIS  12           HD1      HIS  12   6.231  -0.813  -2.232
   97    HD2  HIS  12           HD2      HIS  12   2.498  -1.694  -0.636
   98    HE1  HIS  12           HE1      HIS  12   4.983  -2.008  -4.059
   99    H    VAL  13           H        VAL  13   1.784   0.485  -0.301
  100    HA   VAL  13           HA       VAL  13   2.147   1.649  -2.798
  101    HB   VAL  13           HB       VAL  13  -0.377   1.468  -1.148
  102   HG11  VAL  13          HG11      VAL  13   0.146   2.719  -3.719
  103   HG12  VAL  13          HG12      VAL  13  -1.104   1.478  -3.808
  104   HG13  VAL  13          HG13      VAL  13  -1.273   2.823  -2.680
  105   HG21  VAL  13          HG21      VAL  13  -0.832  -0.541  -2.303
  106   HG22  VAL  13          HG22      VAL  13   0.468  -0.262  -3.459
  107   HG23  VAL  13          HG23      VAL  13   0.849  -0.656  -1.783
  108    H    VAL  14           H        VAL  14   0.889   3.122   0.184
  109    HA   VAL  14           HA       VAL  14   0.267   5.640  -0.748
  110    HB   VAL  14           HB       VAL  14   1.500   4.942   1.920
  111   HG11  VAL  14          HG11      VAL  14   0.437   7.463   0.791
  112   HG12  VAL  14          HG12      VAL  14  -0.006   7.079   2.455
  113   HG13  VAL  14          HG13      VAL  14   1.694   7.202   2.000
  114   HG21  VAL  14          HG21      VAL  14  -1.168   5.424   2.316
  115   HG22  VAL  14          HG22      VAL  14  -1.159   4.579   0.768
  116   HG23  VAL  14          HG23      VAL  14  -0.425   3.831   2.186
  117    H    GLY  15           H        GLY  15   3.414   4.523   0.498
  118    HA2  GLY  15           HA2      GLY  15   4.823   6.907   0.228
  119    HA3  GLY  15           HA3      GLY  15   5.541   5.305   0.139
  120    H    ALA  16           H        ALA  16   3.734   4.718  -2.220
  121    HA   ALA  16           HA       ALA  16   5.544   5.809  -4.222
  122    HB1  ALA  16           HB1      ALA  16   3.553   3.578  -4.191
  123    HB2  ALA  16           HB2      ALA  16   4.143   4.225  -5.722
  124    HB3  ALA  16           HB3      ALA  16   5.277   3.536  -4.561
  125    H    ILE  17           H        ILE  17   2.017   5.514  -3.781
  126    HA   ILE  17           HA       ILE  17   1.234   7.079  -5.942
  127    HB   ILE  17           HB       ILE  17  -0.154   6.798  -3.272
  128   HG12  ILE  17          HG12      ILE  17  -0.457   5.249  -5.854
  129   HG13  ILE  17          HG13      ILE  17   0.258   4.644  -4.364
  130   HG21  ILE  17          HG21      ILE  17  -0.999   8.705  -4.517
  131   HG22  ILE  17          HG22      ILE  17  -1.222   7.696  -5.945
  132   HG23  ILE  17          HG23      ILE  17  -2.190   7.406  -4.501
  133   HD11  ILE  17          HD11      ILE  17  -1.988   3.808  -4.619
  134   HD12  ILE  17          HD12      ILE  17  -1.910   4.910  -3.244
  135   HD13  ILE  17          HD13      ILE  17  -2.611   5.451  -4.769
  136    H    ALA  18           H        ALA  18   2.237   8.021  -2.707
  137    HA   ALA  18           HA       ALA  18   1.496  10.767  -2.979
  138    HB1  ALA  18           HB1      ALA  18   1.926   9.358  -0.831
  139    HB2  ALA  18           HB2      ALA  18   3.602   9.854  -1.069
  140    HB3  ALA  18           HB3      ALA  18   2.344  11.071  -0.857
  141    H    GLU  19           H        GLU  19   4.049   8.905  -4.200
  142    HA   GLU  19           HA       GLU  19   6.084  10.905  -4.233
  143    HB2  GLU  19           HB2      GLU  19   6.225   8.292  -4.540
  144    HB3  GLU  19           HB3      GLU  19   6.000   8.688  -6.238
  145    HG2  GLU  19           HG2      GLU  19   7.954  10.412  -5.660
  146    HG3  GLU  19           HG3      GLU  19   8.313   9.163  -4.469
  147    H    HIS  20           H        HIS  20   3.841   9.661  -6.699
  148    HA   HIS  20           HA       HIS  20   4.650  11.630  -8.632
  149    HB2  HIS  20           HB2      HIS  20   3.265  10.535 -10.129
  150    HB3  HIS  20           HB3      HIS  20   3.661   9.233  -9.012
  151    HD1  HIS  20           HD1      HIS  20   0.842  11.433 -10.097
  152    HD2  HIS  20           HD2      HIS  20   1.530   8.299  -7.457
  153    HE1  HIS  20           HE1      HIS  20  -1.436  10.663  -9.360
  154    H    PHE  21           H        PHE  21   2.297  11.415  -6.120
  155    HA   PHE  21           HA       PHE  21   0.873  13.768  -7.147
  156    HB2  PHE  21           HB2      PHE  21  -0.117  11.459  -6.060
  157    HB3  PHE  21           HB3      PHE  21  -0.108  12.531  -4.665
  158    HD1  PHE  21           HD2      PHE  21  -1.016  12.726  -8.283
  159    HD2  PHE  21           HD1      PHE  21  -2.060  13.648  -4.261
  160    HE1  PHE  21           HE2      PHE  21  -3.110  13.752  -9.065
  161    HE2  PHE  21           HE1      PHE  21  -4.157  14.675  -5.037
  162    HZ   PHE  21           HZ       PHE  21  -4.683  14.730  -7.441
  163    HN1  NH2  22           HN1      NH2  22   3.733  13.701  -5.896
  164    HN2  NH2  22           HN2      NH2  22   3.658  14.833  -4.513
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  -3.638 -17.874   3.324
    2    H2   GLY   1           H2       GLY   1  -4.221 -16.389   2.972
    3    H3   GLY   1           H3       GLY   1  -4.990 -17.637   2.773
    4    HA2  GLY   1           HA2      GLY   1  -2.418 -17.468   1.392
    5    HA3  GLY   1           HA3      GLY   1  -3.857 -18.292   0.810
    6    H    LEU   2           H        LEU   2  -5.676 -16.125   1.201
    7    HA   LEU   2           HA       LEU   2  -5.183 -14.694  -1.227
    8    HB2  LEU   2           HB2      LEU   2  -7.395 -15.183   0.537
    9    HB3  LEU   2           HB3      LEU   2  -7.294 -13.464   0.160
   10    HG   LEU   2           HG       LEU   2  -7.093 -14.428  -2.317
   11   HD11  LEU   2          HD11      LEU   2  -7.903 -16.694  -0.725
   12   HD12  LEU   2          HD12      LEU   2  -7.461 -16.614  -2.430
   13   HD13  LEU   2          HD13      LEU   2  -9.122 -16.290  -1.935
   14   HD21  LEU   2          HD21      LEU   2  -9.843 -14.411  -1.191
   15   HD22  LEU   2          HD22      LEU   2  -9.205 -13.625  -2.635
   16   HD23  LEU   2          HD23      LEU   2  -8.870 -12.947  -1.041
   17    H    PHE   3           H        PHE   3  -6.007 -13.391   1.988
   18    HA   PHE   3           HA       PHE   3  -5.058 -10.814   1.497
   19    HB2  PHE   3           HB2      PHE   3  -6.198 -12.224   3.681
   20    HB3  PHE   3           HB3      PHE   3  -4.743 -11.428   4.275
   21    HD1  PHE   3           HD2      PHE   3  -7.997 -10.876   2.629
   22    HD2  PHE   3           HD1      PHE   3  -4.663  -9.088   4.579
   23    HE1  PHE   3           HE2      PHE   3  -9.228  -8.751   2.779
   24    HE2  PHE   3           HE1      PHE   3  -5.889  -6.961   4.734
   25    HZ   PHE   3           HZ       PHE   3  -8.175  -6.790   3.831
   26    H    GLY   4           H        GLY   4  -3.385 -13.708   2.465
   27    HA2  GLY   4           HA2      GLY   4  -1.079 -12.724   3.619
   28    HA3  GLY   4           HA3      GLY   4  -1.139 -14.167   2.617
   29    H    VAL   5           H        VAL   5  -2.048 -12.591   0.271
   30    HA   VAL   5           HA       VAL   5   0.602 -11.641  -0.530
   31    HB   VAL   5           HB       VAL   5  -1.831 -12.254  -2.215
   32   HG11  VAL   5          HG11      VAL   5   0.172 -12.269  -3.971
   33   HG12  VAL   5          HG12      VAL   5  -0.746 -10.809  -3.595
   34   HG13  VAL   5          HG13      VAL   5   0.822 -11.087  -2.835
   35   HG21  VAL   5          HG21      VAL   5   0.691 -13.805  -1.663
   36   HG22  VAL   5          HG22      VAL   5  -0.969 -14.284  -1.308
   37   HG23  VAL   5          HG23      VAL   5  -0.419 -14.180  -2.980
   38    H    LEU   6           H        LEU   6  -2.612 -10.520   0.099
   39    HA   LEU   6           HA       LEU   6  -2.705  -8.167  -1.368
   40    HB2  LEU   6           HB2      LEU   6  -3.953  -9.148   1.128
   41    HB3  LEU   6           HB3      LEU   6  -4.003  -7.409   0.850
   42    HG   LEU   6           HG       LEU   6  -5.018  -9.415  -1.152
   43   HD11  LEU   6          HD11      LEU   6  -6.237  -8.423   1.331
   44   HD12  LEU   6          HD12      LEU   6  -6.599  -9.863   0.380
   45   HD13  LEU   6          HD13      LEU   6  -7.248  -8.299  -0.109
   46   HD21  LEU   6          HD21      LEU   6  -4.851  -7.491  -2.344
   47   HD22  LEU   6          HD22      LEU   6  -4.954  -6.462  -0.914
   48   HD23  LEU   6          HD23      LEU   6  -6.414  -7.189  -1.586
   49    H    ALA   7           H        ALA   7  -0.840  -8.962   1.436
   50    HA   ALA   7           HA       ALA   7  -0.313  -6.394   2.434
   51    HB1  ALA   7           HB1      ALA   7   0.214  -8.593   3.543
   52    HB2  ALA   7           HB2      ALA   7   1.624  -8.697   2.487
   53    HB3  ALA   7           HB3      ALA   7   1.481  -7.370   3.639
   54    H    LYS   8           H        LYS   8   0.932  -8.101  -0.324
   55    HA   LYS   8           HA       LYS   8   3.317  -6.685  -0.735
   56    HB2  LYS   8           HB2      LYS   8   2.082  -8.758  -1.986
   57    HB3  LYS   8           HB3      LYS   8   1.815  -7.468  -3.151
   58    HG2  LYS   8           HG2      LYS   8   4.151  -7.095  -3.396
   59    HG3  LYS   8           HG3      LYS   8   4.522  -8.157  -2.036
   60    HD2  LYS   8           HD2      LYS   8   3.017  -9.245  -4.373
   61    HD3  LYS   8           HD3      LYS   8   4.762  -9.016  -4.500
   62    HE2  LYS   8           HE2      LYS   8   3.446 -10.539  -2.260
   63    HE3  LYS   8           HE3      LYS   8   4.011 -11.300  -3.745
   64    HZ1  LYS   8           HZ1      LYS   8   5.834 -11.556  -2.432
   65    HZ2  LYS   8           HZ2      LYS   8   5.558 -10.141  -1.548
   66    HZ3  LYS   8           HZ3      LYS   8   6.207 -10.049  -3.108
   67    H    VAL   9           H        VAL   9   0.059  -5.709  -1.042
   68    HA   VAL   9           HA       VAL   9   0.937  -3.174  -2.237
   69    HB   VAL   9           HB       VAL   9  -1.711  -4.403  -2.965
   70   HG11  VAL   9          HG11      VAL   9  -0.039  -2.148  -4.048
   71   HG12  VAL   9          HG12      VAL   9  -1.405  -2.836  -4.928
   72   HG13  VAL   9          HG13      VAL   9  -1.660  -2.072  -3.359
   73   HG21  VAL   9          HG21      VAL   9  -0.407  -4.789  -5.218
   74   HG22  VAL   9          HG22      VAL   9   0.980  -4.905  -4.135
   75   HG23  VAL   9          HG23      VAL   9  -0.387  -6.001  -3.937
   76    H    ALA  10           H        ALA  10   0.704  -3.445   0.439
   77    HA   ALA  10           HA       ALA  10  -1.406  -1.582   1.044
   78    HB1  ALA  10           HB1      ALA  10  -2.308  -4.049   1.179
   79    HB2  ALA  10           HB2      ALA  10  -1.494  -4.024   2.744
   80    HB3  ALA  10           HB3      ALA  10  -2.759  -2.848   2.390
   81    HB2  I4G  11           HB2      I4G  11  -0.272  -0.094   0.710
   82    HB3  I4G  11           HB3      I4G  11   0.750   1.035   1.301
   83    HG   I4G  11           HG       I4G  11  -0.844   1.989   2.763
   84   HD13  I4G  11          HD13      I4G  11  -2.347   1.171   0.212
   85   HD11  I4G  11          HD11      I4G  11  -2.853   2.450   1.333
   86   HD12  I4G  11          HD12      I4G  11  -1.359   2.626   0.407
   87   HD23  I4G  11          HD23      I4G  11  -1.614  -0.188   3.688
   88   HD22  I4G  11          HD22      I4G  11  -2.539  -0.502   2.210
   89   HD21  I4G  11          HD21      I4G  11  -2.990   0.843   3.272
   90    HA2  I4G  11           HA2      I4G  11   1.899  -0.774   3.946
   91    HA3  I4G  11           HA3      I4G  11   1.075   0.633   4.038
   92    H    HIS  12           H        HIS  12   2.573  -0.626   1.241
   93    HA   HIS  12           HA       HIS  12   4.646   1.449   1.389
   94    HB2  HIS  12           HB2      HIS  12   6.007   0.120   0.050
   95    HB3  HIS  12           HB3      HIS  12   5.150  -1.078   1.016
   96    HD1  HIS  12           HD1      HIS  12   6.267  -0.783  -2.228
   97    HD2  HIS  12           HD2      HIS  12   2.531  -1.670  -0.639
   98    HE1  HIS  12           HE1      HIS  12   5.027  -1.984  -4.057
   99    H    VAL  13           H        VAL  13   1.809   0.505  -0.305
  100    HA   VAL  13           HA       VAL  13   2.173   1.667  -2.802
  101    HB   VAL  13           HB       VAL  13  -0.353   1.481  -1.157
  102   HG11  VAL  13          HG11      VAL  13  -1.039   1.480  -3.844
  103   HG12  VAL  13          HG12      VAL  13  -1.281   2.798  -2.697
  104   HG13  VAL  13          HG13      VAL  13   0.167   2.759  -3.704
  105   HG21  VAL  13          HG21      VAL  13   0.456  -0.248  -3.476
  106   HG22  VAL  13          HG22      VAL  13   0.918  -0.633  -1.818
  107   HG23  VAL  13          HG23      VAL  13  -0.787  -0.546  -2.261
  108    H    VAL  14           H        VAL  14   0.897   3.138   0.174
  109    HA   VAL  14           HA       VAL  14   0.273   5.653  -0.763
  110    HB   VAL  14           HB       VAL  14   1.494   4.960   1.912
  111   HG11  VAL  14          HG11      VAL  14   0.103   7.071   2.541
  112   HG12  VAL  14          HG12      VAL  14   1.710   7.257   1.836
  113   HG13  VAL  14          HG13      VAL  14   0.275   7.464   0.830
  114   HG21  VAL  14          HG21      VAL  14  -0.429   3.846   2.174
  115   HG22  VAL  14          HG22      VAL  14  -1.181   5.437   2.291
  116   HG23  VAL  14          HG23      VAL  14  -1.156   4.585   0.748
  117    H    GLY  15           H        GLY  15   3.417   4.543   0.494
  118    HA2  GLY  15           HA2      GLY  15   4.820   6.931   0.234
  119    HA3  GLY  15           HA3      GLY  15   5.543   5.332   0.144
  120    H    ALA  16           H        ALA  16   3.743   4.749  -2.222
  121    HA   ALA  16           HA       ALA  16   5.557   5.851  -4.217
  122    HB1  ALA  16           HB1      ALA  16   5.098   3.448  -4.236
  123    HB2  ALA  16           HB2      ALA  16   3.386   3.777  -4.509
  124    HB3  ALA  16           HB3      ALA  16   4.575   4.219  -5.735
  125    H    ILE  17           H        ILE  17   2.029   5.538  -3.781
  126    HA   ILE  17           HA       ILE  17   1.240   7.096  -5.943
  127    HB   ILE  17           HB       ILE  17  -0.146   6.811  -3.275
  128   HG12  ILE  17          HG12      ILE  17  -0.443   5.260  -5.857
  129   HG13  ILE  17          HG13      ILE  17   0.275   4.659  -4.367
  130   HG21  ILE  17          HG21      ILE  17  -0.999   8.715  -4.518
  131   HG22  ILE  17          HG22      ILE  17  -1.217   7.706  -5.947
  132   HG23  ILE  17          HG23      ILE  17  -2.185   7.410  -4.504
  133   HD11  ILE  17          HD11      ILE  17  -1.895   4.921  -3.247
  134   HD12  ILE  17          HD12      ILE  17  -2.598   5.447  -4.776
  135   HD13  ILE  17          HD13      ILE  17  -1.963   3.810  -4.614
  136    H    ALA  18           H        ALA  18   2.238   8.048  -2.709
  137    HA   ALA  18           HA       ALA  18   1.483  10.789  -2.981
  138    HB1  ALA  18           HB1      ALA  18   3.055  11.045  -0.974
  139    HB2  ALA  18           HB2      ALA  18   1.620  10.039  -0.774
  140    HB3  ALA  18           HB3      ALA  18   3.195   9.288  -1.029
  141    H    GLU  19           H        GLU  19   4.048   8.940  -4.205
  142    HA   GLU  19           HA       GLU  19   6.067  10.953  -4.249
  143    HB2  GLU  19           HB2      GLU  19   6.227   8.343  -4.553
  144    HB3  GLU  19           HB3      GLU  19   5.989   8.732  -6.250
  145    HG2  GLU  19           HG2      GLU  19   7.988  10.452  -5.142
  146    HG3  GLU  19           HG3      GLU  19   8.380   8.771  -4.788
  147    H    HIS  20           H        HIS  20   3.829   9.691  -6.711
  148    HA   HIS  20           HA       HIS  20   4.617  11.669  -8.642
  149    HB2  HIS  20           HB2      HIS  20   3.248  10.559 -10.140
  150    HB3  HIS  20           HB3      HIS  20   3.650   9.261  -9.019
  151    HD1  HIS  20           HD1      HIS  20   0.818  11.421 -10.140
  152    HD2  HIS  20           HD2      HIS  20   1.519   8.335  -7.449
  153    HE1  HIS  20           HE1      HIS  20  -1.456  10.641  -9.404
  154    H    PHE  21           H        PHE  21   2.270  11.430  -6.128
  155    HA   PHE  21           HA       PHE  21   0.859  13.801  -7.139
  156    HB2  PHE  21           HB2      PHE  21  -0.178  11.460  -6.175
  157    HB3  PHE  21           HB3      PHE  21  -0.211  12.478  -4.739
  158    HD1  PHE  21           HD1      PHE  21  -0.997  12.815  -8.375
  159    HD2  PHE  21           HD2      PHE  21  -2.169  13.592  -4.358
  160    HE1  PHE  21           HE1      PHE  21  -3.059  13.885  -9.187
  161    HE2  PHE  21           HE2      PHE  21  -4.234  14.662  -5.164
  162    HZ   PHE  21           HZ       PHE  21  -4.681  14.809  -7.581
  163    HN1  NH2  22           HN1      NH2  22   3.673  13.678  -5.796
  164    HN2  NH2  22           HN2      NH2  22   3.554  14.759  -4.374
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1  -2.563 -17.899   3.046
    2    H2   GLY   1           H2       GLY   1  -2.030 -16.583   2.237
    3    H3   GLY   1           H3       GLY   1  -2.931 -16.513   3.409
    4    HA2  GLY   1           HA2      GLY   1  -3.816 -18.043   1.063
    5    HA3  GLY   1           HA3      GLY   1  -4.866 -17.276   2.244
    6    H    LEU   2           H        LEU   2  -6.079 -16.119   0.780
    7    HA   LEU   2           HA       LEU   2  -5.118 -14.648  -1.382
    8    HB2  LEU   2           HB2      LEU   2  -7.246 -13.336  -1.137
    9    HB3  LEU   2           HB3      LEU   2  -7.431 -15.083  -1.270
   10    HG   LEU   2           HG       LEU   2  -7.376 -14.715   1.442
   11   HD11  LEU   2          HD11      LEU   2  -9.365 -12.693   0.811
   12   HD12  LEU   2          HD12      LEU   2  -7.719 -12.162   0.467
   13   HD13  LEU   2          HD13      LEU   2  -8.143 -12.725   2.083
   14   HD21  LEU   2          HD21      LEU   2  -9.701 -14.810  -0.472
   15   HD22  LEU   2          HD22      LEU   2  -9.854 -15.006   1.274
   16   HD23  LEU   2          HD23      LEU   2  -8.914 -16.167   0.336
   17    H    PHE   3           H        PHE   3  -5.866 -13.548   1.920
   18    HA   PHE   3           HA       PHE   3  -5.020 -10.880   1.505
   19    HB2  PHE   3           HB2      PHE   3  -6.224 -12.332   3.580
   20    HB3  PHE   3           HB3      PHE   3  -4.713 -11.733   4.253
   21    HD1  PHE   3           HD1      PHE   3  -4.280  -9.321   4.380
   22    HD2  PHE   3           HD2      PHE   3  -8.019 -10.859   3.049
   23    HE1  PHE   3           HE1      PHE   3  -5.309  -7.113   4.728
   24    HE2  PHE   3           HE2      PHE   3  -9.053  -8.653   3.394
   25    HZ   PHE   3           HZ       PHE   3  -7.697  -6.776   4.233
   26    H    GLY   4           H        GLY   4  -3.340 -13.817   2.329
   27    HA2  GLY   4           HA2      GLY   4  -1.032 -12.891   3.522
   28    HA3  GLY   4           HA3      GLY   4  -1.092 -14.278   2.446
   29    H    VAL   5           H        VAL   5  -1.982 -12.647   0.164
   30    HA   VAL   5           HA       VAL   5   0.653 -11.599  -0.563
   31    HB   VAL   5           HB       VAL   5  -1.737 -12.222  -2.306
   32   HG11  VAL   5          HG11      VAL   5  -0.616 -10.619  -3.526
   33   HG12  VAL   5          HG12      VAL   5   0.962 -11.080  -2.884
   34   HG13  VAL   5          HG13      VAL   5   0.166 -12.096  -4.085
   35   HG21  VAL   5          HG21      VAL   5   0.000 -13.998  -3.123
   36   HG22  VAL   5          HG22      VAL   5   0.699 -13.761  -1.521
   37   HG23  VAL   5          HG23      VAL   5  -0.971 -14.304  -1.682
   38    H    LEU   6           H        LEU   6  -2.577 -10.579   0.099
   39    HA   LEU   6           HA       LEU   6  -2.784  -8.208  -1.306
   40    HB2  LEU   6           HB2      LEU   6  -3.890  -9.249   1.231
   41    HB3  LEU   6           HB3      LEU   6  -3.996  -7.508   0.980
   42    HG   LEU   6           HG       LEU   6  -5.111  -9.593  -0.893
   43   HD11  LEU   6          HD11      LEU   6  -7.177  -8.086   0.194
   44   HD12  LEU   6          HD12      LEU   6  -6.138  -8.479   1.563
   45   HD13  LEU   6          HD13      LEU   6  -6.787  -9.769   0.552
   46   HD21  LEU   6          HD21      LEU   6  -4.809  -7.777  -2.253
   47   HD22  LEU   6          HD22      LEU   6  -4.956  -6.621  -0.929
   48   HD23  LEU   6          HD23      LEU   6  -6.396  -7.404  -1.581
   49    H    ALA   7           H        ALA   7  -0.820  -8.969   1.455
   50    HA   ALA   7           HA       ALA   7  -0.300  -6.406   2.440
   51    HB1  ALA   7           HB1      ALA   7   0.846  -9.057   2.718
   52    HB2  ALA   7           HB2      ALA   7   2.069  -7.787   2.794
   53    HB3  ALA   7           HB3      ALA   7   0.697  -7.758   3.903
   54    H    LYS   8           H        LYS   8   0.852  -8.031  -0.403
   55    HA   LYS   8           HA       LYS   8   3.187  -6.569  -0.905
   56    HB2  LYS   8           HB2      LYS   8   1.919  -8.622  -2.146
   57    HB3  LYS   8           HB3      LYS   8   1.550  -7.306  -3.253
   58    HG2  LYS   8           HG2      LYS   8   4.205  -6.921  -2.859
   59    HG3  LYS   8           HG3      LYS   8   4.086  -8.678  -2.727
   60    HD2  LYS   8           HD2      LYS   8   2.640  -7.386  -4.970
   61    HD3  LYS   8           HD3      LYS   8   4.402  -7.428  -5.063
   62    HE2  LYS   8           HE2      LYS   8   2.869  -9.904  -4.379
   63    HE3  LYS   8           HE3      LYS   8   3.008  -9.385  -6.058
   64    HZ1  LYS   8           HZ1      LYS   8   5.327  -9.608  -6.000
   65    HZ2  LYS   8           HZ2      LYS   8   4.743 -10.994  -5.227
   66    HZ3  LYS   8           HZ3      LYS   8   5.375  -9.720  -4.312
   67    H    VAL   9           H        VAL   9  -0.105  -5.638  -1.040
   68    HA   VAL   9           HA       VAL   9   0.682  -3.068  -2.236
   69    HB   VAL   9           HB       VAL   9  -2.027  -4.280  -2.727
   70   HG11  VAL   9          HG11      VAL   9  -2.022  -1.957  -3.117
   71   HG12  VAL   9          HG12      VAL   9  -0.452  -2.013  -3.919
   72   HG13  VAL   9          HG13      VAL   9  -1.872  -2.700  -4.709
   73   HG21  VAL   9          HG21      VAL   9  -1.117  -4.825  -5.027
   74   HG22  VAL   9          HG22      VAL   9   0.493  -4.618  -4.338
   75   HG23  VAL   9          HG23      VAL   9  -0.579  -5.870  -3.711
   76    H    ALA  10           H        ALA  10   0.676  -3.418   0.461
   77    HA   ALA  10           HA       ALA  10  -1.349  -1.537   1.278
   78    HB1  ALA  10           HB1      ALA  10  -2.582  -3.629   1.495
   79    HB2  ALA  10           HB2      ALA  10  -1.308  -4.281   2.528
   80    HB3  ALA  10           HB3      ALA  10  -2.272  -2.909   3.076
   81    HB2  I4G  11           HB2      I4G  11  -0.163  -0.059   0.829
   82    HB3  I4G  11           HB3      I4G  11   0.871   1.070   1.400
   83    HG   I4G  11           HG       I4G  11  -1.712   1.552   1.478
   84   HD13  I4G  11          HD13      I4G  11  -1.219  -0.085   4.030
   85   HD11  I4G  11          HD11      I4G  11  -2.675   0.867   3.692
   86   HD12  I4G  11          HD12      I4G  11  -2.291  -0.543   2.700
   87   HD23  I4G  11          HD23      I4G  11   0.025   3.098   2.362
   88   HD22  I4G  11          HD22      I4G  11   0.143   2.137   3.845
   89   HD21  I4G  11          HD21      I4G  11  -1.355   3.004   3.464
   90    HA2  I4G  11           HA2      I4G  11   2.225  -0.819   3.873
   91    HA3  I4G  11           HA3      I4G  11   1.426   0.592   4.071
   92    H    HIS  12           H        HIS  12   2.662  -0.622   1.128
   93    HA   HIS  12           HA       HIS  12   4.745   1.449   1.127
   94    HB2  HIS  12           HB2      HIS  12   6.004   0.127  -0.300
   95    HB3  HIS  12           HB3      HIS  12   5.188  -1.092   0.676
   96    HD1  HIS  12           HD1      HIS  12   6.113  -0.686  -2.622
   97    HD2  HIS  12           HD2      HIS  12   2.479  -1.619  -0.839
   98    HE1  HIS  12           HE1      HIS  12   4.756  -1.817  -4.413
   99    H    VAL  13           H        VAL  13   1.766   0.545  -0.308
  100    HA   VAL  13           HA       VAL  13   1.902   1.698  -2.828
  101    HB   VAL  13           HB       VAL  13  -0.446   1.565  -0.934
  102   HG11  VAL  13          HG11      VAL  13  -0.277   2.378  -3.822
  103   HG12  VAL  13          HG12      VAL  13  -1.770   1.768  -3.102
  104   HG13  VAL  13          HG13      VAL  13  -1.025   3.240  -2.477
  105   HG21  VAL  13          HG21      VAL  13   0.558  -0.598  -1.602
  106   HG22  VAL  13          HG22      VAL  13  -1.094  -0.392  -2.188
  107   HG23  VAL  13          HG23      VAL  13   0.267  -0.178  -3.291
  108    H    VAL  14           H        VAL  14   0.429   3.244   0.033
  109    HA   VAL  14           HA       VAL  14   0.152   5.786  -0.994
  110    HB   VAL  14           HB       VAL  14   0.788   5.006   1.855
  111   HG11  VAL  14          HG11      VAL  14  -0.070   7.617   0.644
  112   HG12  VAL  14          HG12      VAL  14  -0.392   7.223   2.334
  113   HG13  VAL  14          HG13      VAL  14   1.270   7.297   1.745
  114   HG21  VAL  14          HG21      VAL  14  -1.302   4.098   0.669
  115   HG22  VAL  14          HG22      VAL  14  -1.514   4.883   2.234
  116   HG23  VAL  14          HG23      VAL  14  -1.899   5.756   0.751
  117    H    GLY  15           H        GLY  15   3.029   4.214   0.211
  118    HA2  GLY  15           HA2      GLY  15   4.632   6.513   0.575
  119    HA3  GLY  15           HA3      GLY  15   5.224   4.880   0.306
  120    H    ALA  16           H        ALA  16   3.855   4.607  -2.262
  121    HA   ALA  16           HA       ALA  16   5.797   6.088  -3.867
  122    HB1  ALA  16           HB1      ALA  16   5.247   3.510  -3.973
  123    HB2  ALA  16           HB2      ALA  16   3.981   4.064  -5.070
  124    HB3  ALA  16           HB3      ALA  16   5.671   4.420  -5.424
  125    H    ILE  17           H        ILE  17   2.309   5.535  -3.628
  126    HA   ILE  17           HA       ILE  17   1.477   6.984  -5.851
  127    HB   ILE  17           HB       ILE  17   0.070   6.710  -3.192
  128   HG12  ILE  17          HG12      ILE  17   0.641   4.561  -4.289
  129   HG13  ILE  17          HG13      ILE  17  -1.096   4.837  -4.219
  130   HG21  ILE  17          HG21      ILE  17  -1.872   6.919  -5.097
  131   HG22  ILE  17          HG22      ILE  17  -1.316   8.236  -4.065
  132   HG23  ILE  17          HG23      ILE  17  -0.655   8.049  -5.689
  133   HD11  ILE  17          HD11      ILE  17  -0.024   5.875  -6.668
  134   HD12  ILE  17          HD12      ILE  17   0.436   4.186  -6.453
  135   HD13  ILE  17          HD13      ILE  17  -1.265   4.649  -6.413
  136    H    ALA  18           H        ALA  18   2.359   8.079  -2.626
  137    HA   ALA  18           HA       ALA  18   1.494  10.774  -3.005
  138    HB1  ALA  18           HB1      ALA  18   1.828   9.577  -0.791
  139    HB2  ALA  18           HB2      ALA  18   3.553   9.869  -1.015
  140    HB3  ALA  18           HB3      ALA  18   2.438  11.229  -0.899
  141    H    GLU  19           H        GLU  19   4.096   9.022  -4.209
  142    HA   GLU  19           HA       GLU  19   6.049  11.122  -4.241
  143    HB2  GLU  19           HB2      GLU  19   6.353   8.518  -4.429
  144    HB3  GLU  19           HB3      GLU  19   6.121   8.815  -6.146
  145    HG2  GLU  19           HG2      GLU  19   8.004  10.698  -5.135
  146    HG3  GLU  19           HG3      GLU  19   8.479   9.077  -4.627
  147    H    HIS  20           H        HIS  20   3.961   9.637  -6.713
  148    HA   HIS  20           HA       HIS  20   4.690  11.568  -8.706
  149    HB2  HIS  20           HB2      HIS  20   3.404  10.332 -10.177
  150    HB3  HIS  20           HB3      HIS  20   3.817   9.105  -8.982
  151    HD1  HIS  20           HD1      HIS  20   0.954  11.023 -10.370
  152    HD2  HIS  20           HD2      HIS  20   1.670   8.280  -7.334
  153    HE1  HIS  20           HE1      HIS  20  -1.316  10.230  -9.633
  154    H    PHE  21           H        PHE  21   2.290  11.336  -6.235
  155    HA   PHE  21           HA       PHE  21   0.970  13.746  -7.299
  156    HB2  PHE  21           HB2      PHE  21  -0.218  11.328  -6.731
  157    HB3  PHE  21           HB3      PHE  21  -0.514  12.250  -5.261
  158    HD1  PHE  21           HD1      PHE  21  -0.902  14.954  -6.247
  159    HD2  PHE  21           HD2      PHE  21  -2.219  11.248  -7.875
  160    HE1  PHE  21           HE1      PHE  21  -2.777  16.106  -7.345
  161    HE2  PHE  21           HE2      PHE  21  -4.095  12.395  -8.978
  162    HZ   PHE  21           HZ       PHE  21  -4.377  14.827  -8.715
  163    HN1  NH2  22           HN1      NH2  22   3.504  13.845  -5.788
  164    HN2  NH2  22           HN2      NH2  22   3.171  14.622  -4.210
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -3.655 -16.469   3.084
    2    H2   GLY   1           H2       GLY   1  -5.105 -17.161   2.786
    3    H3   GLY   1           H3       GLY   1  -3.939 -17.903   3.313
    4    HA2  GLY   1           HA2      GLY   1  -2.672 -17.719   1.231
    5    HA3  GLY   1           HA3      GLY   1  -4.288 -18.307   0.868
    6    H    LEU   2           H        LEU   2  -5.790 -16.016   1.122
    7    HA   LEU   2           HA       LEU   2  -5.091 -14.653  -1.318
    8    HB2  LEU   2           HB2      LEU   2  -7.445 -15.327  -0.225
    9    HB3  LEU   2           HB3      LEU   2  -7.321 -13.668   0.356
   10    HG   LEU   2           HG       LEU   2  -6.907 -14.181  -2.548
   11   HD11  LEU   2          HD11      LEU   2  -8.969 -15.458  -1.701
   12   HD12  LEU   2          HD12      LEU   2  -9.169 -14.357  -3.063
   13   HD13  LEU   2          HD13      LEU   2  -9.675 -13.862  -1.448
   14   HD21  LEU   2          HD21      LEU   2  -6.662 -11.953  -2.157
   15   HD22  LEU   2          HD22      LEU   2  -7.741 -11.962  -0.762
   16   HD23  LEU   2          HD23      LEU   2  -8.409 -11.998  -2.394
   17    H    PHE   3           H        PHE   3  -5.913 -13.485   1.954
   18    HA   PHE   3           HA       PHE   3  -5.000 -10.866   1.554
   19    HB2  PHE   3           HB2      PHE   3  -6.132 -12.366   3.678
   20    HB3  PHE   3           HB3      PHE   3  -4.671 -11.606   4.301
   21    HD1  PHE   3           HD2      PHE   3  -8.004 -11.030   2.909
   22    HD2  PHE   3           HD1      PHE   3  -4.499  -9.214   4.502
   23    HE1  PHE   3           HE2      PHE   3  -9.223  -8.908   3.163
   24    HE2  PHE   3           HE1      PHE   3  -5.714  -7.088   4.759
   25    HZ   PHE   3           HZ       PHE   3  -8.077  -6.934   4.088
   26    H    GLY   4           H        GLY   4  -3.318 -13.798   2.384
   27    HA2  GLY   4           HA2      GLY   4  -1.008 -12.868   3.572
   28    HA3  GLY   4           HA3      GLY   4  -1.070 -14.259   2.499
   29    H    VAL   5           H        VAL   5  -1.964 -12.633   0.214
   30    HA   VAL   5           HA       VAL   5   0.668 -11.589  -0.522
   31    HB   VAL   5           HB       VAL   5  -1.725 -12.215  -2.258
   32   HG11  VAL   5          HG11      VAL   5  -0.684 -10.754  -3.629
   33   HG12  VAL   5          HG12      VAL   5   0.862 -10.899  -2.790
   34   HG13  VAL   5          HG13      VAL   5   0.367 -12.132  -3.950
   35   HG21  VAL   5          HG21      VAL   5   0.862 -13.706  -1.824
   36   HG22  VAL   5          HG22      VAL   5  -0.746 -14.223  -1.318
   37   HG23  VAL   5          HG23      VAL   5  -0.355 -14.114  -3.033
   38    H    LEU   6           H        LEU   6  -2.560 -10.566   0.143
   39    HA   LEU   6           HA       LEU   6  -2.768  -8.197  -1.268
   40    HB2  LEU   6           HB2      LEU   6  -3.871  -9.232   1.274
   41    HB3  LEU   6           HB3      LEU   6  -3.977  -7.491   1.019
   42    HG   LEU   6           HG       LEU   6  -5.065  -9.547  -0.903
   43   HD11  LEU   6          HD11      LEU   6  -7.238  -8.354   0.165
   44   HD12  LEU   6          HD12      LEU   6  -6.175  -8.406   1.571
   45   HD13  LEU   6          HD13      LEU   6  -6.583  -9.895   0.719
   46   HD21  LEU   6          HD21      LEU   6  -4.711  -7.558  -2.080
   47   HD22  LEU   6          HD22      LEU   6  -5.194  -6.553  -0.713
   48   HD23  LEU   6          HD23      LEU   6  -6.405  -7.480  -1.599
   49    H    ALA   7           H        ALA   7  -0.801  -8.954   1.493
   50    HA   ALA   7           HA       ALA   7  -0.279  -6.388   2.472
   51    HB1  ALA   7           HB1      ALA   7   1.965  -8.307   2.484
   52    HB2  ALA   7           HB2      ALA   7   1.250  -7.383   3.806
   53    HB3  ALA   7           HB3      ALA   7   0.462  -8.851   3.230
   54    H    LYS   8           H        LYS   8   0.868  -8.020  -0.369
   55    HA   LYS   8           HA       LYS   8   3.204  -6.561  -0.876
   56    HB2  LYS   8           HB2      LYS   8   1.935  -8.617  -2.110
   57    HB3  LYS   8           HB3      LYS   8   1.566  -7.303  -3.221
   58    HG2  LYS   8           HG2      LYS   8   4.238  -6.945  -2.787
   59    HG3  LYS   8           HG3      LYS   8   4.080  -8.703  -2.731
   60    HD2  LYS   8           HD2      LYS   8   3.072  -8.744  -4.904
   61    HD3  LYS   8           HD3      LYS   8   2.967  -6.983  -4.944
   62    HE2  LYS   8           HE2      LYS   8   5.620  -7.334  -4.517
   63    HE3  LYS   8           HE3      LYS   8   5.248  -8.762  -5.481
   64    HZ1  LYS   8           HZ1      LYS   8   4.440  -7.422  -7.233
   65    HZ2  LYS   8           HZ2      LYS   8   5.918  -6.744  -6.768
   66    HZ3  LYS   8           HZ3      LYS   8   4.467  -6.019  -6.288
   67    H    VAL   9           H        VAL   9  -0.086  -5.629  -1.009
   68    HA   VAL   9           HA       VAL   9   0.700  -3.062  -2.214
   69    HB   VAL   9           HB       VAL   9  -2.010  -4.275  -2.698
   70   HG11  VAL   9          HG11      VAL   9  -0.435  -2.011  -3.895
   71   HG12  VAL   9          HG12      VAL   9  -1.855  -2.700  -4.686
   72   HG13  VAL   9          HG13      VAL   9  -2.006  -1.953  -3.095
   73   HG21  VAL   9          HG21      VAL   9  -0.407  -5.837  -3.622
   74   HG22  VAL   9          HG22      VAL   9  -1.197  -4.953  -4.928
   75   HG23  VAL   9          HG23      VAL   9   0.443  -4.525  -4.439
   76    H    ALA  10           H        ALA  10   0.698  -3.402   0.482
   77    HA   ALA  10           HA       ALA  10  -1.327  -1.519   1.297
   78    HB1  ALA  10           HB1      ALA  10  -2.110  -2.961   3.197
   79    HB2  ALA  10           HB2      ALA  10  -2.643  -3.476   1.596
   80    HB3  ALA  10           HB3      ALA  10  -1.319  -4.320   2.400
   81    HB2  I4G  11           HB2      I4G  11  -0.146  -0.041   0.838
   82    HB3  I4G  11           HB3      I4G  11   0.887   1.092   1.401
   83    HG   I4G  11           HG       I4G  11  -1.695   1.568   1.485
   84   HD13  I4G  11          HD13      I4G  11  -1.192  -0.056   4.042
   85   HD11  I4G  11          HD11      I4G  11  -2.652   0.892   3.704
   86   HD12  I4G  11          HD12      I4G  11  -2.268  -0.522   2.718
   87   HD23  I4G  11          HD23      I4G  11   0.040   3.122   2.357
   88   HD22  I4G  11          HD22      I4G  11   0.165   2.168   3.843
   89   HD21  I4G  11          HD21      I4G  11  -1.336   3.032   3.463
   90    HA2  I4G  11           HA2      I4G  11   2.253  -0.782   3.879
   91    HA3  I4G  11           HA3      I4G  11   1.450   0.627   4.072
   92    H    HIS  12           H        HIS  12   2.684  -0.597   1.131
   93    HA   HIS  12           HA       HIS  12   4.762   1.478   1.117
   94    HB2  HIS  12           HB2      HIS  12   6.011   0.157  -0.321
   95    HB3  HIS  12           HB3      HIS  12   5.209  -1.060   0.668
   96    HD1  HIS  12           HD1      HIS  12   6.102  -0.669  -2.640
   97    HD2  HIS  12           HD2      HIS  12   2.485  -1.599  -0.818
   98    HE1  HIS  12           HE1      HIS  12   4.731  -1.811  -4.412
   99    H    VAL  13           H        VAL  13   1.779   0.566  -0.307
  100    HA   VAL  13           HA       VAL  13   1.901   1.718  -2.828
  101    HB   VAL  13           HB       VAL  13  -0.435   1.581  -0.918
  102   HG11  VAL  13          HG11      VAL  13  -0.972   3.289  -2.472
  103   HG12  VAL  13          HG12      VAL  13  -0.321   2.359  -3.824
  104   HG13  VAL  13          HG13      VAL  13  -1.801   1.834  -3.022
  105   HG21  VAL  13          HG21      VAL  13  -0.658  -0.545  -1.536
  106   HG22  VAL  13          HG22      VAL  13  -0.539  -0.124  -3.245
  107   HG23  VAL  13          HG23      VAL  13   0.924  -0.419  -2.306
  108    H    VAL  14           H        VAL  14   0.440   3.271   0.035
  109    HA   VAL  14           HA       VAL  14   0.162   5.811  -0.994
  110    HB   VAL  14           HB       VAL  14   0.806   5.036   1.853
  111   HG11  VAL  14          HG11      VAL  14  -0.459   7.277   2.250
  112   HG12  VAL  14          HG12      VAL  14   1.261   7.300   1.855
  113   HG13  VAL  14          HG13      VAL  14   0.064   7.648   0.608
  114   HG21  VAL  14          HG21      VAL  14  -1.257   4.060   0.817
  115   HG22  VAL  14          HG22      VAL  14  -1.548   5.067   2.235
  116   HG23  VAL  14          HG23      VAL  14  -1.861   5.706   0.621
  117    H    GLY  15           H        GLY  15   3.042   4.238   0.203
  118    HA2  GLY  15           HA2      GLY  15   4.648   6.537   0.557
  119    HA3  GLY  15           HA3      GLY  15   5.237   4.903   0.290
  120    H    ALA  16           H        ALA  16   3.860   4.626  -2.274
  121    HA   ALA  16           HA       ALA  16   5.798   6.104  -3.887
  122    HB1  ALA  16           HB1      ALA  16   5.945   3.937  -4.574
  123    HB2  ALA  16           HB2      ALA  16   4.245   3.600  -4.248
  124    HB3  ALA  16           HB3      ALA  16   4.704   4.505  -5.689
  125    H    ILE  17           H        ILE  17   2.311   5.551  -3.636
  126    HA   ILE  17           HA       ILE  17   1.470   6.997  -5.859
  127    HB   ILE  17           HB       ILE  17   0.073   6.728  -3.194
  128   HG12  ILE  17          HG12      ILE  17   0.640   4.577  -4.289
  129   HG13  ILE  17          HG13      ILE  17  -1.096   4.853  -4.213
  130   HG21  ILE  17          HG21      ILE  17  -1.963   7.007  -4.797
  131   HG22  ILE  17          HG22      ILE  17  -1.099   8.428  -4.214
  132   HG23  ILE  17          HG23      ILE  17  -0.790   7.813  -5.837
  133   HD11  ILE  17          HD11      ILE  17  -1.113   5.515  -6.543
  134   HD12  ILE  17          HD12      ILE  17   0.637   5.311  -6.629
  135   HD13  ILE  17          HD13      ILE  17  -0.403   3.912  -6.354
  136    H    ALA  18           H        ALA  18   2.357   8.098  -2.636
  137    HA   ALA  18           HA       ALA  18   1.491  10.792  -3.019
  138    HB1  ALA  18           HB1      ALA  18   1.747   9.723  -0.795
  139    HB2  ALA  18           HB2      ALA  18   3.496   9.753  -1.022
  140    HB3  ALA  18           HB3      ALA  18   2.593  11.264  -0.936
  141    H    GLU  19           H        GLU  19   4.093   9.037  -4.226
  142    HA   GLU  19           HA       GLU  19   6.045  11.137  -4.268
  143    HB2  GLU  19           HB2      GLU  19   6.349   8.534  -4.453
  144    HB3  GLU  19           HB3      GLU  19   6.109   8.828  -6.170
  145    HG2  GLU  19           HG2      GLU  19   8.023  10.667  -5.014
  146    HG3  GLU  19           HG3      GLU  19   8.491   8.985  -4.777
  147    H    HIS  20           H        HIS  20   3.949   9.650  -6.731
  148    HA   HIS  20           HA       HIS  20   4.672  11.579  -8.728
  149    HB2  HIS  20           HB2      HIS  20   3.385  10.340 -10.194
  150    HB3  HIS  20           HB3      HIS  20   3.800   9.115  -9.000
  151    HD1  HIS  20           HD1      HIS  20   0.933  11.028 -10.384
  152    HD2  HIS  20           HD2      HIS  20   1.658   8.288  -7.346
  153    HE1  HIS  20           HE1      HIS  20  -1.334  10.232  -9.641
  154    H    PHE  21           H        PHE  21   2.280  11.347  -6.251
  155    HA   PHE  21           HA       PHE  21   0.953  13.754  -7.312
  156    HB2  PHE  21           HB2      PHE  21  -0.230  11.334  -6.741
  157    HB3  PHE  21           HB3      PHE  21  -0.527  12.259  -5.273
  158    HD1  PHE  21           HD2      PHE  21  -0.919  14.960  -6.267
  159    HD2  PHE  21           HD1      PHE  21  -2.231  11.247  -7.882
  160    HE1  PHE  21           HE2      PHE  21  -2.795  16.107  -7.369
  161    HE2  PHE  21           HE1      PHE  21  -4.110  12.388  -8.987
  162    HZ   PHE  21           HZ       PHE  21  -4.396  14.821  -8.730
  163    HN1  NH2  22           HN1      NH2  22   3.488  13.862  -5.808
  164    HN2  NH2  22           HN2      NH2  22   3.158  14.636  -4.228
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -2.685 -16.638   2.848
    2    H2   GLY   1           H2       GLY   1  -4.305 -16.785   2.995
    3    H3   GLY   1           H3       GLY   1  -3.357 -17.890   3.253
    4    HA2  GLY   1           HA2      GLY   1  -2.653 -17.984   0.869
    5    HA3  GLY   1           HA3      GLY   1  -4.385 -18.228   1.046
    6    H    LEU   2           H        LEU   2  -5.711 -16.173   0.996
    7    HA   LEU   2           HA       LEU   2  -5.028 -14.735  -1.393
    8    HB2  LEU   2           HB2      LEU   2  -7.360 -15.493  -0.444
    9    HB3  LEU   2           HB3      LEU   2  -7.291 -13.933   0.372
   10    HG   LEU   2           HG       LEU   2  -6.722 -13.223  -2.195
   11   HD11  LEU   2          HD11      LEU   2  -8.599 -15.574  -2.275
   12   HD12  LEU   2          HD12      LEU   2  -7.088 -15.364  -3.159
   13   HD13  LEU   2          HD13      LEU   2  -8.489 -14.369  -3.558
   14   HD21  LEU   2          HD21      LEU   2  -8.660 -12.045  -2.057
   15   HD22  LEU   2          HD22      LEU   2  -8.530 -12.536  -0.368
   16   HD23  LEU   2          HD23      LEU   2  -9.589 -13.423  -1.467
   17    H    PHE   3           H        PHE   3  -5.919 -13.596   1.871
   18    HA   PHE   3           HA       PHE   3  -5.043 -10.966   1.504
   19    HB2  PHE   3           HB2      PHE   3  -6.148 -12.514   3.616
   20    HB3  PHE   3           HB3      PHE   3  -4.719 -11.703   4.248
   21    HD1  PHE   3           HD2      PHE   3  -8.071 -11.254   2.866
   22    HD2  PHE   3           HD1      PHE   3  -4.625  -9.297   4.420
   23    HE1  PHE   3           HE2      PHE   3  -9.366  -9.177   3.111
   24    HE2  PHE   3           HE1      PHE   3  -5.916  -7.217   4.669
   25    HZ   PHE   3           HZ       PHE   3  -8.289  -7.155   4.014
   26    H    GLY   4           H        GLY   4  -3.309 -13.870   2.324
   27    HA2  GLY   4           HA2      GLY   4  -1.028 -12.903   3.538
   28    HA3  GLY   4           HA3      GLY   4  -1.054 -14.286   2.453
   29    H    VAL   5           H        VAL   5  -1.970 -12.643   0.181
   30    HA   VAL   5           HA       VAL   5   0.650 -11.553  -0.532
   31    HB   VAL   5           HB       VAL   5  -1.729 -12.190  -2.284
   32   HG11  VAL   5          HG11      VAL   5   0.431 -12.059  -3.932
   33   HG12  VAL   5          HG12      VAL   5  -0.722 -10.746  -3.680
   34   HG13  VAL   5          HG13      VAL   5   0.794 -10.776  -2.778
   35   HG21  VAL   5          HG21      VAL   5   0.751 -13.694  -1.552
   36   HG22  VAL   5          HG22      VAL   5  -0.917 -14.261  -1.639
   37   HG23  VAL   5          HG23      VAL   5  -0.013 -13.949  -3.121
   38    H    LEU   6           H        LEU   6  -2.600 -10.586   0.125
   39    HA   LEU   6           HA       LEU   6  -2.817  -8.194  -1.251
   40    HB2  LEU   6           HB2      LEU   6  -3.935  -9.258   1.283
   41    HB3  LEU   6           HB3      LEU   6  -4.104  -7.531   0.980
   42    HG   LEU   6           HG       LEU   6  -5.092  -9.703  -0.866
   43   HD11  LEU   6          HD11      LEU   6  -6.747  -9.952   0.603
   44   HD12  LEU   6          HD12      LEU   6  -7.267  -8.333   0.139
   45   HD13  LEU   6          HD13      LEU   6  -6.228  -8.556   1.546
   46   HD21  LEU   6          HD21      LEU   6  -4.753  -7.815  -2.184
   47   HD22  LEU   6          HD22      LEU   6  -5.225  -6.708  -0.893
   48   HD23  LEU   6          HD23      LEU   6  -6.447  -7.684  -1.711
   49    H    ALA   7           H        ALA   7  -0.878  -8.982   1.516
   50    HA   ALA   7           HA       ALA   7  -0.414  -6.428   2.560
   51    HB1  ALA   7           HB1      ALA   7   1.801  -7.477   3.314
   52    HB2  ALA   7           HB2      ALA   7   0.301  -8.209   3.885
   53    HB3  ALA   7           HB3      ALA   7   1.200  -8.955   2.564
   54    H    LYS   8           H        LYS   8   0.817  -7.995  -0.284
   55    HA   LYS   8           HA       LYS   8   3.134  -6.479  -0.717
   56    HB2  LYS   8           HB2      LYS   8   1.933  -8.549  -2.005
   57    HB3  LYS   8           HB3      LYS   8   1.583  -7.230  -3.114
   58    HG2  LYS   8           HG2      LYS   8   4.199  -6.788  -2.680
   59    HG3  LYS   8           HG3      LYS   8   4.140  -8.540  -2.468
   60    HD2  LYS   8           HD2      LYS   8   4.500  -8.394  -4.733
   61    HD3  LYS   8           HD3      LYS   8   2.736  -8.445  -4.685
   62    HE2  LYS   8           HE2      LYS   8   3.741  -5.741  -4.425
   63    HE3  LYS   8           HE3      LYS   8   4.322  -6.511  -5.902
   64    HZ1  LYS   8           HZ1      LYS   8   1.777  -7.208  -6.000
   65    HZ2  LYS   8           HZ2      LYS   8   2.351  -5.763  -6.666
   66    HZ3  LYS   8           HZ3      LYS   8   1.613  -5.758  -5.143
   67    H    VAL   9           H        VAL   9  -0.166  -5.614  -0.897
   68    HA   VAL   9           HA       VAL   9   0.578  -3.047  -2.134
   69    HB   VAL   9           HB       VAL   9  -2.144  -4.272  -2.497
   70   HG11  VAL   9          HG11      VAL   9  -2.055  -2.741  -4.526
   71   HG12  VAL   9          HG12      VAL   9  -2.158  -1.960  -2.946
   72   HG13  VAL   9          HG13      VAL   9  -0.613  -2.035  -3.796
   73   HG21  VAL   9          HG21      VAL   9  -1.027  -4.617  -4.919
   74   HG22  VAL   9          HG22      VAL   9   0.374  -4.918  -3.892
   75   HG23  VAL   9          HG23      VAL   9  -1.091  -5.879  -3.688
   76    H    ALA  10           H        ALA  10   0.655  -3.386   0.581
   77    HA   ALA  10           HA       ALA  10  -1.336  -1.477   1.434
   78    HB1  ALA  10           HB1      ALA  10  -2.776  -2.954   2.268
   79    HB2  ALA  10           HB2      ALA  10  -1.662  -4.296   1.999
   80    HB3  ALA  10           HB3      ALA  10  -1.553  -3.342   3.478
   81    HB2  I4G  11           HB2      I4G  11  -0.166  -0.010   0.914
   82    HB3  I4G  11           HB3      I4G  11   0.888   1.128   1.425
   83    HG   I4G  11           HG       I4G  11  -1.688   1.618   1.587
   84   HD13  I4G  11          HD13      I4G  11  -1.108   0.027   4.149
   85   HD11  I4G  11          HD11      I4G  11  -2.574   0.977   3.846
   86   HD12  I4G  11          HD12      I4G  11  -2.229  -0.453   2.867
   87   HD23  I4G  11          HD23      I4G  11   0.082   3.175   2.381
   88   HD22  I4G  11          HD22      I4G  11   0.251   2.242   3.876
   89   HD21  I4G  11          HD21      I4G  11  -1.259   3.106   3.532
   90    HA2  I4G  11           HA2      I4G  11   2.334  -0.714   3.879
   91    HA3  I4G  11           HA3      I4G  11   1.534   0.694   4.092
   92    H    HIS  12           H        HIS  12   2.689  -0.565   1.130
   93    HA   HIS  12           HA       HIS  12   4.746   1.528   1.021
   94    HB2  HIS  12           HB2      HIS  12   5.967   0.191  -0.419
   95    HB3  HIS  12           HB3      HIS  12   5.180  -1.024   0.585
   96    HD1  HIS  12           HD1      HIS  12   6.007  -0.609  -2.747
   97    HD2  HIS  12           HD2      HIS  12   2.445  -1.590  -0.848
   98    HE1  HIS  12           HE1      HIS  12   4.609  -1.759  -4.493
   99    H    VAL  13           H        VAL  13   1.727   0.576  -0.299
  100    HA   VAL  13           HA       VAL  13   1.766   1.700  -2.836
  101    HB   VAL  13           HB       VAL  13  -0.522   1.580  -0.867
  102   HG11  VAL  13          HG11      VAL  13  -0.475   2.252  -3.802
  103   HG12  VAL  13          HG12      VAL  13  -1.934   1.747  -2.948
  104   HG13  VAL  13          HG13      VAL  13  -1.101   3.228  -2.474
  105   HG21  VAL  13          HG21      VAL  13   0.206  -0.226  -3.172
  106   HG22  VAL  13          HG22      VAL  13   0.439  -0.597  -1.464
  107   HG23  VAL  13          HG23      VAL  13  -1.191  -0.404  -2.110
  108    H    VAL  14           H        VAL  14   0.397   3.264   0.067
  109    HA   VAL  14           HA       VAL  14   0.065   5.794  -0.994
  110    HB   VAL  14           HB       VAL  14   0.752   5.053   1.852
  111   HG11  VAL  14          HG11      VAL  14   0.111   7.643   0.562
  112   HG12  VAL  14          HG12      VAL  14  -0.630   7.312   2.129
  113   HG13  VAL  14          HG13      VAL  14   1.126   7.293   1.961
  114   HG21  VAL  14          HG21      VAL  14  -1.518   4.849   2.265
  115   HG22  VAL  14          HG22      VAL  14  -1.967   5.787   0.841
  116   HG23  VAL  14          HG23      VAL  14  -1.365   4.140   0.657
  117    H    GLY  15           H        GLY  15   2.967   4.260   0.211
  118    HA2  GLY  15           HA2      GLY  15   4.544   6.606   0.462
  119    HA3  GLY  15           HA3      GLY  15   5.152   4.964   0.318
  120    H    ALA  16           H        ALA  16   3.659   4.631  -2.256
  121    HA   ALA  16           HA       ALA  16   5.695   5.872  -3.946
  122    HB1  ALA  16           HB1      ALA  16   4.436   3.352  -3.931
  123    HB2  ALA  16           HB2      ALA  16   3.937   4.166  -5.413
  124    HB3  ALA  16           HB3      ALA  16   5.651   3.954  -5.058
  125    H    ILE  17           H        ILE  17   2.160   5.495  -3.815
  126    HA   ILE  17           HA       ILE  17   1.501   7.032  -6.035
  127    HB   ILE  17           HB       ILE  17  -0.046   6.751  -3.456
  128   HG12  ILE  17          HG12      ILE  17  -0.176   5.200  -6.051
  129   HG13  ILE  17          HG13      ILE  17   0.439   4.600  -4.516
  130   HG21  ILE  17          HG21      ILE  17  -0.828   8.655  -4.747
  131   HG22  ILE  17          HG22      ILE  17  -0.956   7.647  -6.188
  132   HG23  ILE  17          HG23      ILE  17  -2.008   7.347  -4.806
  133   HD11  ILE  17          HD11      ILE  17  -1.813   4.894  -3.549
  134   HD12  ILE  17          HD12      ILE  17  -2.399   5.366  -5.144
  135   HD13  ILE  17          HD13      ILE  17  -1.765   3.741  -4.882
  136    H    ALA  18           H        ALA  18   2.285   8.015  -2.751
  137    HA   ALA  18           HA       ALA  18   1.518  10.739  -3.056
  138    HB1  ALA  18           HB1      ALA  18   3.210   9.269  -1.064
  139    HB2  ALA  18           HB2      ALA  18   3.040  11.023  -1.011
  140    HB3  ALA  18           HB3      ALA  18   1.617   9.994  -0.845
  141    H    GLU  19           H        GLU  19   4.163   8.937  -4.193
  142    HA   GLU  19           HA       GLU  19   6.139  10.987  -4.196
  143    HB2  GLU  19           HB2      GLU  19   6.369   8.390  -4.493
  144    HB3  GLU  19           HB3      GLU  19   6.131   8.758  -6.195
  145    HG2  GLU  19           HG2      GLU  19   8.138   9.817  -6.397
  146    HG3  GLU  19           HG3      GLU  19   8.171  10.315  -4.706
  147    H    HIS  20           H        HIS  20   4.038   9.665  -6.750
  148    HA   HIS  20           HA       HIS  20   4.819  11.681  -8.637
  149    HB2  HIS  20           HB2      HIS  20   3.517  10.547 -10.180
  150    HB3  HIS  20           HB3      HIS  20   3.923   9.254  -9.056
  151    HD1  HIS  20           HD1      HIS  20   1.066  11.357 -10.228
  152    HD2  HIS  20           HD2      HIS  20   1.776   8.252  -7.562
  153    HE1  HIS  20           HE1      HIS  20  -1.207  10.510  -9.562
  154    H    PHE  21           H        PHE  21   2.397  11.371  -6.200
  155    HA   PHE  21           HA       PHE  21   0.943  13.694  -7.251
  156    HB2  PHE  21           HB2      PHE  21  -0.056  11.353  -6.303
  157    HB3  PHE  21           HB3      PHE  21  -0.081  12.330  -4.839
  158    HD1  PHE  21           HD2      PHE  21  -0.831  14.941  -5.631
  159    HD2  PHE  21           HD1      PHE  21  -2.148  11.218  -7.220
  160    HE1  PHE  21           HE2      PHE  21  -2.921  16.003  -6.376
  161    HE2  PHE  21           HE1      PHE  21  -4.240  12.275  -7.968
  162    HZ   PHE  21           HZ       PHE  21  -4.630  14.669  -7.546
  163    HN1  NH2  22           HN1      NH2  22   3.630  14.173  -6.232
  164    HN2  NH2  22           HN2      NH2  22   3.502  15.103  -4.707
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  -3.358 -17.276   3.269
    2    H2   GLY   1           H2       GLY   1  -4.758 -16.705   2.650
    3    H3   GLY   1           H3       GLY   1  -4.519 -18.135   2.946
    4    HA2  GLY   1           HA2      GLY   1  -2.427 -17.663   1.265
    5    HA3  GLY   1           HA3      GLY   1  -3.938 -18.385   0.729
    6    H    LEU   2           H        LEU   2  -5.659 -16.222   0.997
    7    HA   LEU   2           HA       LEU   2  -5.005 -14.752  -1.371
    8    HB2  LEU   2           HB2      LEU   2  -7.331 -15.356   0.114
    9    HB3  LEU   2           HB3      LEU   2  -7.207 -13.600   0.040
   10    HG   LEU   2           HG       LEU   2  -7.050 -15.310  -2.427
   11   HD11  LEU   2          HD11      LEU   2  -9.588 -13.955  -1.844
   12   HD12  LEU   2          HD12      LEU   2  -9.233 -15.350  -0.827
   13   HD13  LEU   2          HD13      LEU   2  -9.279 -15.527  -2.581
   14   HD21  LEU   2          HD21      LEU   2  -6.271 -13.119  -2.820
   15   HD22  LEU   2          HD22      LEU   2  -7.565 -12.402  -1.859
   16   HD23  LEU   2          HD23      LEU   2  -7.931 -13.151  -3.414
   17    H    PHE   3           H        PHE   3  -5.904 -13.600   1.886
   18    HA   PHE   3           HA       PHE   3  -5.021 -10.976   1.520
   19    HB2  PHE   3           HB2      PHE   3  -6.158 -12.493   3.612
   20    HB3  PHE   3           HB3      PHE   3  -4.696 -11.762   4.267
   21    HD1  PHE   3           HD2      PHE   3  -8.016 -11.126   2.872
   22    HD2  PHE   3           HD1      PHE   3  -4.498  -9.371   4.505
   23    HE1  PHE   3           HE2      PHE   3  -9.215  -8.998   3.159
   24    HE2  PHE   3           HE1      PHE   3  -5.693  -7.240   4.797
   25    HZ   PHE   3           HZ       PHE   3  -8.054  -7.051   4.123
   26    H    GLY   4           H        GLY   4  -3.282 -13.877   2.342
   27    HA2  GLY   4           HA2      GLY   4  -0.999 -12.906   3.549
   28    HA3  GLY   4           HA3      GLY   4  -1.025 -14.291   2.468
   29    H    VAL   5           H        VAL   5  -1.949 -12.652   0.195
   30    HA   VAL   5           HA       VAL   5   0.670 -11.560  -0.526
   31    HB   VAL   5           HB       VAL   5  -1.712 -12.201  -2.272
   32   HG11  VAL   5          HG11      VAL   5   1.079 -11.314  -2.992
   33   HG12  VAL   5          HG12      VAL   5  -0.128 -11.893  -4.142
   34   HG13  VAL   5          HG13      VAL   5  -0.412 -10.406  -3.236
   35   HG21  VAL   5          HG21      VAL   5  -0.998 -14.304  -1.968
   36   HG22  VAL   5          HG22      VAL   5   0.334 -13.848  -3.031
   37   HG23  VAL   5          HG23      VAL   5   0.540 -13.782  -1.281
   38    H    LEU   6           H        LEU   6  -2.580 -10.595   0.136
   39    HA   LEU   6           HA       LEU   6  -2.802  -8.206  -1.244
   40    HB2  LEU   6           HB2      LEU   6  -3.929  -9.292   1.269
   41    HB3  LEU   6           HB3      LEU   6  -4.068  -7.553   1.020
   42    HG   LEU   6           HG       LEU   6  -5.114  -9.668  -0.863
   43   HD11  LEU   6          HD11      LEU   6  -6.573  -9.847   0.894
   44   HD12  LEU   6          HD12      LEU   6  -7.321  -8.535  -0.017
   45   HD13  LEU   6          HD13      LEU   6  -6.341  -8.174   1.403
   46   HD21  LEU   6          HD21      LEU   6  -5.168  -6.667  -0.877
   47   HD22  LEU   6          HD22      LEU   6  -6.379  -7.621  -1.735
   48   HD23  LEU   6          HD23      LEU   6  -4.673  -7.771  -2.159
   49    H    ALA   7           H        ALA   7  -0.857  -8.988   1.521
   50    HA   ALA   7           HA       ALA   7  -0.394  -6.432   2.560
   51    HB1  ALA   7           HB1      ALA   7   1.095  -9.011   2.620
   52    HB2  ALA   7           HB2      ALA   7   1.890  -7.548   3.203
   53    HB3  ALA   7           HB3      ALA   7   0.383  -8.089   3.943
   54    H    LYS   8           H        LYS   8   0.832  -8.002  -0.284
   55    HA   LYS   8           HA       LYS   8   3.148  -6.484  -0.722
   56    HB2  LYS   8           HB2      LYS   8   1.949  -8.558  -2.004
   57    HB3  LYS   8           HB3      LYS   8   1.593  -7.242  -3.115
   58    HG2  LYS   8           HG2      LYS   8   4.380  -7.521  -2.134
   59    HG3  LYS   8           HG3      LYS   8   3.789  -8.688  -3.320
   60    HD2  LYS   8           HD2      LYS   8   3.159  -5.883  -3.928
   61    HD3  LYS   8           HD3      LYS   8   4.882  -6.273  -3.933
   62    HE2  LYS   8           HE2      LYS   8   4.516  -8.045  -5.532
   63    HE3  LYS   8           HE3      LYS   8   2.772  -7.799  -5.455
   64    HZ1  LYS   8           HZ1      LYS   8   4.384  -5.483  -6.170
   65    HZ2  LYS   8           HZ2      LYS   8   2.879  -5.978  -6.761
   66    HZ3  LYS   8           HZ3      LYS   8   4.293  -6.717  -7.323
   67    H    VAL   9           H        VAL   9  -0.153  -5.622  -0.897
   68    HA   VAL   9           HA       VAL   9   0.586  -3.055  -2.136
   69    HB   VAL   9           HB       VAL   9  -2.133  -4.286  -2.504
   70   HG11  VAL   9          HG11      VAL   9  -2.157  -1.978  -2.954
   71   HG12  VAL   9          HG12      VAL   9  -0.606  -2.043  -3.795
   72   HG13  VAL   9          HG13      VAL   9  -2.042  -2.755  -4.532
   73   HG21  VAL   9          HG21      VAL   9  -0.980  -5.904  -3.629
   74   HG22  VAL   9          HG22      VAL   9  -1.102  -4.695  -4.907
   75   HG23  VAL   9          HG23      VAL   9   0.387  -4.847  -3.976
   76    H    ALA  10           H        ALA  10   0.661  -3.390   0.578
   77    HA   ALA  10           HA       ALA  10  -1.336  -1.488   1.427
   78    HB1  ALA  10           HB1      ALA  10  -2.452  -3.712   1.681
   79    HB2  ALA  10           HB2      ALA  10  -1.216  -4.129   2.870
   80    HB3  ALA  10           HB3      ALA  10  -2.314  -2.782   3.174
   81    HB2  I4G  11           HB2      I4G  11  -0.172  -0.015   0.909
   82    HB3  I4G  11           HB3      I4G  11   0.879   1.126   1.421
   83    HG   I4G  11           HG       I4G  11  -1.699   1.607   1.581
   84   HD13  I4G  11          HD13      I4G  11  -1.116   0.017   4.143
   85   HD11  I4G  11          HD11      I4G  11  -2.586   0.962   3.838
   86   HD12  I4G  11          HD12      I4G  11  -2.234  -0.466   2.860
   87   HD23  I4G  11          HD23      I4G  11   0.065   3.171   2.376
   88   HD22  I4G  11          HD22      I4G  11   0.235   2.238   3.872
   89   HD21  I4G  11          HD21      I4G  11  -1.277   3.096   3.526
   90    HA2  I4G  11           HA2      I4G  11   2.328  -0.713   3.877
   91    HA3  I4G  11           HA3      I4G  11   1.524   0.693   4.088
   92    H    HIS  12           H        HIS  12   2.684  -0.563   1.127
   93    HA   HIS  12           HA       HIS  12   4.736   1.536   1.021
   94    HB2  HIS  12           HB2      HIS  12   5.964   0.202  -0.417
   95    HB3  HIS  12           HB3      HIS  12   5.180  -1.014   0.589
   96    HD1  HIS  12           HD1      HIS  12   6.010  -0.606  -2.742
   97    HD2  HIS  12           HD2      HIS  12   2.448  -1.590  -0.845
   98    HE1  HIS  12           HE1      HIS  12   4.618  -1.764  -4.487
   99    H    VAL  13           H        VAL  13   1.721   0.574  -0.302
  100    HA   VAL  13           HA       VAL  13   1.759   1.690  -2.841
  101    HB   VAL  13           HB       VAL  13  -0.528   1.578  -0.871
  102   HG11  VAL  13          HG11      VAL  13  -0.398   2.419  -3.736
  103   HG12  VAL  13          HG12      VAL  13  -1.851   1.634  -3.112
  104   HG13  VAL  13          HG13      VAL  13  -1.284   3.142  -2.394
  105   HG21  VAL  13          HG21      VAL  13   0.363  -0.609  -1.413
  106   HG22  VAL  13          HG22      VAL  13  -1.206  -0.395  -2.187
  107   HG23  VAL  13          HG23      VAL  13   0.273  -0.248  -3.137
  108    H    VAL  14           H        VAL  14   0.397   3.264   0.060
  109    HA   VAL  14           HA       VAL  14   0.060   5.790  -1.009
  110    HB   VAL  14           HB       VAL  14   0.754   5.058   1.838
  111   HG11  VAL  14          HG11      VAL  14   0.135   7.645   0.539
  112   HG12  VAL  14          HG12      VAL  14  -0.637   7.324   2.094
  113   HG13  VAL  14          HG13      VAL  14   1.122   7.293   1.959
  114   HG21  VAL  14          HG21      VAL  14  -1.319   4.056   0.819
  115   HG22  VAL  14          HG22      VAL  14  -1.583   5.039   2.259
  116   HG23  VAL  14          HG23      VAL  14  -1.943   5.698   0.663
  117    H    GLY  15           H        GLY  15   2.967   4.256   0.173
  118    HA2  GLY  15           HA2      GLY  15   4.547   6.602   0.425
  119    HA3  GLY  15           HA3      GLY  15   5.154   4.960   0.272
  120    H    ALA  16           H        ALA  16   3.637   4.641  -2.295
  121    HA   ALA  16           HA       ALA  16   5.667   5.880  -3.994
  122    HB1  ALA  16           HB1      ALA  16   5.624   3.937  -5.058
  123    HB2  ALA  16           HB2      ALA  16   4.333   3.375  -3.996
  124    HB3  ALA  16           HB3      ALA  16   3.938   4.211  -5.499
  125    H    ILE  17           H        ILE  17   2.132   5.507  -3.856
  126    HA   ILE  17           HA       ILE  17   1.471   7.066  -6.059
  127    HB   ILE  17           HB       ILE  17  -0.079   6.782  -3.482
  128   HG12  ILE  17          HG12      ILE  17  -0.218   5.215  -6.069
  129   HG13  ILE  17          HG13      ILE  17   0.435   4.627  -4.543
  130   HG21  ILE  17          HG21      ILE  17  -1.577   8.169  -4.346
  131   HG22  ILE  17          HG22      ILE  17  -0.556   8.404  -5.763
  132   HG23  ILE  17          HG23      ILE  17  -1.754   7.110  -5.745
  133   HD11  ILE  17          HD11      ILE  17  -1.823   4.950  -3.543
  134   HD12  ILE  17          HD12      ILE  17  -2.423   5.321  -5.159
  135   HD13  ILE  17          HD13      ILE  17  -1.748   3.730  -4.812
  136    H    ALA  18           H        ALA  18   2.233   8.020  -2.758
  137    HA   ALA  18           HA       ALA  18   1.483  10.750  -3.053
  138    HB1  ALA  18           HB1      ALA  18   1.576   9.832  -0.854
  139    HB2  ALA  18           HB2      ALA  18   3.263   9.359  -1.060
  140    HB3  ALA  18           HB3      ALA  18   2.830  11.067  -0.968
  141    H    GLU  19           H        GLU  19   4.127   8.944  -4.177
  142    HA   GLU  19           HA       GLU  19   6.117  10.982  -4.136
  143    HB2  GLU  19           HB2      GLU  19   6.330   8.384  -4.456
  144    HB3  GLU  19           HB3      GLU  19   6.128   8.776  -6.158
  145    HG2  GLU  19           HG2      GLU  19   8.091  10.474  -4.872
  146    HG3  GLU  19           HG3      GLU  19   8.493   8.763  -4.740
  147    H    HIS  20           H        HIS  20   4.025   9.700  -6.717
  148    HA   HIS  20           HA       HIS  20   4.845  11.717  -8.587
  149    HB2  HIS  20           HB2      HIS  20   3.527  10.615 -10.146
  150    HB3  HIS  20           HB3      HIS  20   3.935   9.307  -9.039
  151    HD1  HIS  20           HD1      HIS  20   1.076  11.476 -10.117
  152    HD2  HIS  20           HD2      HIS  20   1.793   8.241  -7.609
  153    HE1  HIS  20           HE1      HIS  20  -1.195  10.612  -9.468
  154    H    PHE  21           H        PHE  21   2.400  11.420  -6.172
  155    HA   PHE  21           HA       PHE  21   0.882  13.672  -7.249
  156    HB2  PHE  21           HB2      PHE  21   0.046  11.401  -5.994
  157    HB3  PHE  21           HB3      PHE  21   0.080  12.536  -4.649
  158    HD1  PHE  21           HD1      PHE  21  -0.934  12.720  -8.239
  159    HD2  PHE  21           HD2      PHE  21  -1.984  13.395  -4.171
  160    HE1  PHE  21           HE1      PHE  21  -3.109  13.623  -8.953
  161    HE2  PHE  21           HE2      PHE  21  -4.160  14.298  -4.878
  162    HZ   PHE  21           HZ       PHE  21  -4.725  14.411  -7.272
  163    HN1  NH2  22           HN1      NH2  22   3.775  13.895  -6.164
  164    HN2  NH2  22           HN2      NH2  22   3.693  15.097  -4.840
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -4.675 -18.309  -0.043
    2    H2   GLY   1           H2       GLY   1  -3.347 -19.189   0.319
    3    H3   GLY   1           H3       GLY   1  -4.503 -19.043   1.229
    4    HA2  GLY   1           HA2      GLY   1  -3.691 -17.111   2.178
    5    HA3  GLY   1           HA3      GLY   1  -2.257 -17.455   1.221
    6    H    LEU   2           H        LEU   2  -5.492 -16.005   0.938
    7    HA   LEU   2           HA       LEU   2  -4.818 -14.499  -1.391
    8    HB2  LEU   2           HB2      LEU   2  -7.141 -15.254  -0.381
    9    HB3  LEU   2           HB3      LEU   2  -7.045 -13.679   0.404
   10    HG   LEU   2           HG       LEU   2  -8.374 -13.569  -1.631
   11   HD11  LEU   2          HD11      LEU   2  -6.845 -11.683  -0.871
   12   HD12  LEU   2          HD12      LEU   2  -7.408 -11.634  -2.541
   13   HD13  LEU   2          HD13      LEU   2  -5.770 -12.178  -2.180
   14   HD21  LEU   2          HD21      LEU   2  -6.347 -15.267  -2.653
   15   HD22  LEU   2          HD22      LEU   2  -6.357 -13.791  -3.620
   16   HD23  LEU   2          HD23      LEU   2  -7.836 -14.736  -3.437
   17    H    PHE   3           H        PHE   3  -5.639 -13.410   1.909
   18    HA   PHE   3           HA       PHE   3  -4.795 -10.774   1.589
   19    HB2  PHE   3           HB2      PHE   3  -5.802 -12.374   3.689
   20    HB3  PHE   3           HB3      PHE   3  -4.320 -11.636   4.289
   21    HD1  PHE   3           HD2      PHE   3  -7.723 -11.028   3.110
   22    HD2  PHE   3           HD1      PHE   3  -4.143  -9.242   4.565
   23    HE1  PHE   3           HE2      PHE   3  -8.941  -8.932   3.524
   24    HE2  PHE   3           HE1      PHE   3  -5.357  -7.142   4.980
   25    HZ   PHE   3           HZ       PHE   3  -7.759  -6.984   4.460
   26    H    GLY   4           H        GLY   4  -2.981 -13.673   2.217
   27    HA2  GLY   4           HA2      GLY   4  -0.651 -12.714   3.343
   28    HA3  GLY   4           HA3      GLY   4  -0.715 -14.058   2.213
   29    H    VAL   5           H        VAL   5  -1.760 -12.380   0.040
   30    HA   VAL   5           HA       VAL   5   0.798 -11.200  -0.756
   31    HB   VAL   5           HB       VAL   5  -1.637 -11.855  -2.421
   32   HG11  VAL   5          HG11      VAL   5  -0.486 -10.034  -3.443
   33   HG12  VAL   5          HG12      VAL   5   1.081 -10.803  -3.183
   34   HG13  VAL   5          HG13      VAL   5  -0.062 -11.496  -4.334
   35   HG21  VAL   5          HG21      VAL   5  -0.551 -13.859  -1.612
   36   HG22  VAL   5          HG22      VAL   5  -0.217 -13.659  -3.332
   37   HG23  VAL   5          HG23      VAL   5   1.020 -13.257  -2.140
   38    H    LEU   6           H        LEU   6  -2.429 -10.335   0.096
   39    HA   LEU   6           HA       LEU   6  -2.796  -7.926  -1.212
   40    HB2  LEU   6           HB2      LEU   6  -3.735  -9.091   1.342
   41    HB3  LEU   6           HB3      LEU   6  -3.935  -7.352   1.138
   42    HG   LEU   6           HG       LEU   6  -5.031  -9.441  -0.743
   43   HD11  LEU   6          HD11      LEU   6  -6.029  -8.363   1.774
   44   HD12  LEU   6          HD12      LEU   6  -6.556  -9.770   0.852
   45   HD13  LEU   6          HD13      LEU   6  -7.154  -8.166   0.430
   46   HD21  LEU   6          HD21      LEU   6  -6.442  -7.388  -1.401
   47   HD22  LEU   6          HD22      LEU   6  -4.786  -7.500  -1.999
   48   HD23  LEU   6          HD23      LEU   6  -5.162  -6.450  -0.632
   49    H    ALA   7           H        ALA   7  -0.673  -8.706   1.421
   50    HA   ALA   7           HA       ALA   7  -0.209  -6.155   2.473
   51    HB1  ALA   7           HB1      ALA   7   2.002  -8.154   2.280
   52    HB2  ALA   7           HB2      ALA   7   1.567  -7.082   3.613
   53    HB3  ALA   7           HB3      ALA   7   0.584  -8.506   3.270
   54    H    LYS   8           H        LYS   8   0.854  -7.636  -0.475
   55    HA   LYS   8           HA       LYS   8   3.106  -6.022  -1.002
   56    HB2  LYS   8           HB2      LYS   8   1.927  -8.167  -2.225
   57    HB3  LYS   8           HB3      LYS   8   1.540  -6.866  -3.343
   58    HG2  LYS   8           HG2      LYS   8   4.334  -6.985  -2.411
   59    HG3  LYS   8           HG3      LYS   8   3.799  -8.303  -3.456
   60    HD2  LYS   8           HD2      LYS   8   3.002  -5.616  -4.342
   61    HD3  LYS   8           HD3      LYS   8   4.742  -5.915  -4.345
   62    HE2  LYS   8           HE2      LYS   8   4.038  -6.574  -6.475
   63    HE3  LYS   8           HE3      LYS   8   4.179  -8.085  -5.578
   64    HZ1  LYS   8           HZ1      LYS   8   1.574  -6.890  -5.392
   65    HZ2  LYS   8           HZ2      LYS   8   2.008  -8.478  -5.778
   66    HZ3  LYS   8           HZ3      LYS   8   2.004  -7.288  -6.979
   67    H    VAL   9           H        VAL   9  -0.201  -5.291  -0.939
   68    HA   VAL   9           HA       VAL   9   0.339  -2.679  -2.153
   69    HB   VAL   9           HB       VAL   9  -0.748  -4.076  -3.883
   70   HG11  VAL   9          HG11      VAL   9  -2.398  -4.843  -1.685
   71   HG12  VAL   9          HG12      VAL   9  -3.408  -4.128  -2.943
   72   HG13  VAL   9          HG13      VAL   9  -2.359  -5.495  -3.323
   73   HG21  VAL   9          HG21      VAL   9  -2.817  -2.095  -3.082
   74   HG22  VAL   9          HG22      VAL   9  -1.179  -1.520  -3.392
   75   HG23  VAL   9          HG23      VAL   9  -2.067  -2.372  -4.654
   76    H    ALA  10           H        ALA  10   0.339  -2.972   0.502
   77    HA   ALA  10           HA       ALA  10  -1.731  -1.248   1.356
   78    HB1  ALA  10           HB1      ALA  10  -2.479  -3.942   1.338
   79    HB2  ALA  10           HB2      ALA  10  -2.154  -3.548   3.025
   80    HB3  ALA  10           HB3      ALA  10  -3.322  -2.599   2.108
   81    HB2  I4G  11           HB2      I4G  11  -0.425   0.250   1.216
   82    HB3  I4G  11           HB3      I4G  11   0.446   1.289   2.127
   83    HG   I4G  11           HG       I4G  11  -2.193   0.439   3.153
   84   HD13  I4G  11          HD13      I4G  11  -0.678   3.106   3.307
   85   HD11  I4G  11          HD11      I4G  11  -2.234   2.768   4.088
   86   HD12  I4G  11          HD12      I4G  11  -0.782   1.902   4.599
   87   HD23  I4G  11          HD23      I4G  11  -2.643   1.048   0.784
   88   HD22  I4G  11          HD22      I4G  11  -1.844   2.611   1.021
   89   HD21  I4G  11          HD21      I4G  11  -3.346   2.240   1.886
   90    HA2  I4G  11           HA2      I4G  11   1.561  -0.993   4.369
   91    HA3  I4G  11           HA3      I4G  11   0.797   0.423   4.652
   92    H    HIS  12           H        HIS  12   2.249  -0.496   1.704
   93    HA   HIS  12           HA       HIS  12   4.254   1.633   2.071
   94    HB2  HIS  12           HB2      HIS  12   5.507   0.238   0.250
   95    HB3  HIS  12           HB3      HIS  12   5.563  -0.279   1.933
   96    HD1  HIS  12           HD1      HIS  12   5.607  -2.755   1.825
   97    HD2  HIS  12           HD2      HIS  12   2.772  -1.135  -0.744
   98    HE1  HIS  12           HE1      HIS  12   4.373  -4.722   0.859
   99    H    VAL  13           H        VAL  13   1.535   0.692   0.376
  100    HA   VAL  13           HA       VAL  13   2.027   1.536  -2.240
  101    HB   VAL  13           HB       VAL  13  -0.575   1.786  -0.724
  102   HG11  VAL  13          HG11      VAL  13  -0.801   1.145  -3.517
  103   HG12  VAL  13          HG12      VAL  13  -1.499   2.493  -2.617
  104   HG13  VAL  13          HG13      VAL  13   0.122   2.632  -3.300
  105   HG21  VAL  13          HG21      VAL  13   0.506  -0.517  -2.347
  106   HG22  VAL  13          HG22      VAL  13   0.315  -0.483  -0.594
  107   HG23  VAL  13          HG23      VAL  13  -1.106  -0.424  -1.637
  108    H    VAL  14           H        VAL  14   0.753   3.374   0.528
  109    HA   VAL  14           HA       VAL  14   0.299   5.806  -0.686
  110    HB   VAL  14           HB       VAL  14   1.401   5.349   2.090
  111   HG11  VAL  14          HG11      VAL  14  -0.174   7.598   2.165
  112   HG12  VAL  14          HG12      VAL  14   1.590   7.576   2.126
  113   HG13  VAL  14          HG13      VAL  14   0.675   7.765   0.629
  114   HG21  VAL  14          HG21      VAL  14  -1.454   5.687   1.178
  115   HG22  VAL  14          HG22      VAL  14  -0.705   4.147   1.600
  116   HG23  VAL  14          HG23      VAL  14  -0.899   5.398   2.827
  117    H    GLY  15           H        GLY  15   3.345   4.565   0.655
  118    HA2  GLY  15           HA2      GLY  15   4.912   6.845   0.315
  119    HA3  GLY  15           HA3      GLY  15   5.521   5.196   0.296
  120    H    ALA  16           H        ALA  16   3.711   4.620  -2.051
  121    HA   ALA  16           HA       ALA  16   5.576   5.583  -4.081
  122    HB1  ALA  16           HB1      ALA  16   4.556   3.119  -3.676
  123    HB2  ALA  16           HB2      ALA  16   3.418   3.742  -4.872
  124    HB3  ALA  16           HB3      ALA  16   5.143   3.697  -5.236
  125    H    ILE  17           H        ILE  17   2.056   5.367  -3.576
  126    HA   ILE  17           HA       ILE  17   1.249   6.759  -5.844
  127    HB   ILE  17           HB       ILE  17  -0.084   6.736  -3.135
  128   HG12  ILE  17          HG12      ILE  17  -0.472   4.962  -5.555
  129   HG13  ILE  17          HG13      ILE  17   0.286   4.485  -4.040
  130   HG21  ILE  17          HG21      ILE  17  -1.211   7.381  -5.856
  131   HG22  ILE  17          HG22      ILE  17  -2.133   7.269  -4.358
  132   HG23  ILE  17          HG23      ILE  17  -0.920   8.533  -4.554
  133   HD11  ILE  17          HD11      ILE  17  -2.584   5.324  -4.382
  134   HD12  ILE  17          HD12      ILE  17  -1.998   3.671  -4.194
  135   HD13  ILE  17          HD13      ILE  17  -1.821   4.825  -2.872
  136    H    ALA  18           H        ALA  18   2.348   7.946  -2.725
  137    HA   ALA  18           HA       ALA  18   1.650  10.676  -3.219
  138    HB1  ALA  18           HB1      ALA  18   2.863  11.171  -1.195
  139    HB2  ALA  18           HB2      ALA  18   1.880   9.727  -0.948
  140    HB3  ALA  18           HB3      ALA  18   3.617   9.576  -1.216
  141    H    GLU  19           H        GLU  19   4.111   8.668  -4.355
  142    HA   GLU  19           HA       GLU  19   6.197  10.617  -4.566
  143    HB2  GLU  19           HB2      GLU  19   6.297   7.988  -4.626
  144    HB3  GLU  19           HB3      GLU  19   6.052   8.221  -6.351
  145    HG2  GLU  19           HG2      GLU  19   8.044   9.607  -6.466
  146    HG3  GLU  19           HG3      GLU  19   8.283   9.426  -4.729
  147    H    HIS  20           H        HIS  20   3.912   9.182  -6.886
  148    HA   HIS  20           HA       HIS  20   4.729  10.945  -9.001
  149    HB2  HIS  20           HB2      HIS  20   3.322   9.730 -10.374
  150    HB3  HIS  20           HB3      HIS  20   3.677   8.539  -9.127
  151    HD1  HIS  20           HD1      HIS  20   0.923  10.592 -10.545
  152    HD2  HIS  20           HD2      HIS  20   1.522   7.950  -7.394
  153    HE1  HIS  20           HE1      HIS  20  -1.377  10.001  -9.716
  154    H    PHE  21           H        PHE  21   2.399  11.013  -6.458
  155    HA   PHE  21           HA       PHE  21   1.207  13.446  -7.618
  156    HB2  PHE  21           HB2      PHE  21  -0.134  11.170  -6.918
  157    HB3  PHE  21           HB3      PHE  21  -0.276  12.126  -5.446
  158    HD1  PHE  21           HD1      PHE  21  -0.513  14.842  -6.451
  159    HD2  PHE  21           HD2      PHE  21  -2.202  11.230  -7.939
  160    HE1  PHE  21           HE1      PHE  21  -2.357  16.123  -7.459
  161    HE2  PHE  21           HE2      PHE  21  -4.047  12.505  -8.950
  162    HZ   PHE  21           HZ       PHE  21  -4.126  14.955  -8.711
  163    HN1  NH2  22           HN1      NH2  22   3.802  13.389  -6.158
  164    HN2  NH2  22           HN2      NH2  22   3.577  14.300  -4.633
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -2.801 -18.150  -0.291
    2    H2   GLY   1           H2       GLY   1  -1.624 -18.098   0.841
    3    H3   GLY   1           H3       GLY   1  -2.742 -19.066   0.869
    4    HA2  GLY   1           HA2      GLY   1  -4.322 -17.560   1.720
    5    HA3  GLY   1           HA3      GLY   1  -2.826 -16.866   2.330
    6    H    LEU   2           H        LEU   2  -5.605 -16.163   0.731
    7    HA   LEU   2           HA       LEU   2  -4.907 -14.503  -1.375
    8    HB2  LEU   2           HB2      LEU   2  -7.212 -15.203  -0.709
    9    HB3  LEU   2           HB3      LEU   2  -7.145 -14.003   0.580
   10    HG   LEU   2           HG       LEU   2  -6.653 -12.369  -1.433
   11   HD11  LEU   2          HD11      LEU   2  -7.595 -12.965  -3.485
   12   HD12  LEU   2          HD12      LEU   2  -8.417 -14.369  -2.807
   13   HD13  LEU   2          HD13      LEU   2  -6.665 -14.385  -3.008
   14   HD21  LEU   2          HD21      LEU   2  -8.671 -12.638   0.220
   15   HD22  LEU   2          HD22      LEU   2  -9.487 -13.269  -1.211
   16   HD23  LEU   2          HD23      LEU   2  -8.818 -11.637  -1.223
   17    H    PHE   3           H        PHE   3  -5.780 -13.345   1.887
   18    HA   PHE   3           HA       PHE   3  -4.879 -10.742   1.571
   19    HB2  PHE   3           HB2      PHE   3  -5.966 -12.269   3.648
   20    HB3  PHE   3           HB3      PHE   3  -4.430 -11.681   4.277
   21    HD1  PHE   3           HD1      PHE   3  -3.989  -9.229   4.330
   22    HD2  PHE   3           HD2      PHE   3  -7.817 -10.836   3.391
   23    HE1  PHE   3           HE1      PHE   3  -5.018  -7.044   4.801
   24    HE2  PHE   3           HE2      PHE   3  -8.851  -8.654   3.859
   25    HZ   PHE   3           HZ       PHE   3  -7.452  -6.754   4.564
   26    H    GLY   4           H        GLY   4  -3.092 -13.655   2.216
   27    HA2  GLY   4           HA2      GLY   4  -0.756 -12.713   3.342
   28    HA3  GLY   4           HA3      GLY   4  -0.831 -14.061   2.217
   29    H    VAL   5           H        VAL   5  -1.855 -12.386   0.033
   30    HA   VAL   5           HA       VAL   5   0.714 -11.231  -0.763
   31    HB   VAL   5           HB       VAL   5  -1.723 -11.873  -2.429
   32   HG11  VAL   5          HG11      VAL   5  -0.107 -11.554  -4.334
   33   HG12  VAL   5          HG12      VAL   5  -0.574 -10.081  -3.481
   34   HG13  VAL   5          HG13      VAL   5   0.998 -10.821  -3.172
   35   HG21  VAL   5          HG21      VAL   5   0.856 -13.327  -1.928
   36   HG22  VAL   5          HG22      VAL   5  -0.796 -13.927  -1.772
   37   HG23  VAL   5          HG23      VAL   5  -0.115 -13.620  -3.370
   38    H    LEU   6           H        LEU   6  -2.507 -10.334   0.079
   39    HA   LEU   6           HA       LEU   6  -2.849  -7.927  -1.242
   40    HB2  LEU   6           HB2      LEU   6  -3.799  -9.063   1.325
   41    HB3  LEU   6           HB3      LEU   6  -3.997  -7.328   1.092
   42    HG   LEU   6           HG       LEU   6  -5.111  -9.479  -0.708
   43   HD11  LEU   6          HD11      LEU   6  -6.560  -9.649   1.017
   44   HD12  LEU   6          HD12      LEU   6  -7.254  -8.208   0.274
   45   HD13  LEU   6          HD13      LEU   6  -6.165  -8.051   1.652
   46   HD21  LEU   6          HD21      LEU   6  -4.616  -6.715  -1.159
   47   HD22  LEU   6          HD22      LEU   6  -6.358  -6.958  -1.046
   48   HD23  LEU   6          HD23      LEU   6  -5.413  -7.881  -2.215
   49    H    ALA   7           H        ALA   7  -0.737  -8.716   1.398
   50    HA   ALA   7           HA       ALA   7  -0.254  -6.163   2.440
   51    HB1  ALA   7           HB1      ALA   7   2.079  -7.932   2.357
   52    HB2  ALA   7           HB2      ALA   7   1.258  -7.193   3.734
   53    HB3  ALA   7           HB3      ALA   7   0.622  -8.674   3.018
   54    H    LYS   8           H        LYS   8   0.805  -7.671  -0.496
   55    HA   LYS   8           HA       LYS   8   3.076  -6.084  -1.024
   56    HB2  LYS   8           HB2      LYS   8   1.879  -8.222  -2.240
   57    HB3  LYS   8           HB3      LYS   8   1.505  -6.923  -3.365
   58    HG2  LYS   8           HG2      LYS   8   4.059  -6.392  -3.115
   59    HG3  LYS   8           HG3      LYS   8   4.140  -8.081  -2.608
   60    HD2  LYS   8           HD2      LYS   8   2.541  -8.162  -4.856
   61    HD3  LYS   8           HD3      LYS   8   3.750  -6.941  -5.259
   62    HE2  LYS   8           HE2      LYS   8   5.493  -8.604  -4.492
   63    HE3  LYS   8           HE3      LYS   8   4.203  -9.804  -4.446
   64    HZ1  LYS   8           HZ1      LYS   8   4.388  -8.296  -6.910
   65    HZ2  LYS   8           HZ2      LYS   8   4.154  -9.954  -6.668
   66    HZ3  LYS   8           HZ3      LYS   8   5.713  -9.301  -6.595
   67    H    VAL   9           H        VAL   9  -0.227  -5.321  -0.982
   68    HA   VAL   9           HA       VAL   9   0.348  -2.715  -2.195
   69    HB   VAL   9           HB       VAL   9  -0.732  -4.107  -3.935
   70   HG11  VAL   9          HG11      VAL   9  -2.727  -5.178  -3.681
   71   HG12  VAL   9          HG12      VAL   9  -2.144  -5.275  -2.019
   72   HG13  VAL   9          HG13      VAL   9  -3.314  -4.036  -2.472
   73   HG21  VAL   9          HG21      VAL   9  -2.032  -2.395  -4.724
   74   HG22  VAL   9          HG22      VAL   9  -2.790  -2.101  -3.159
   75   HG23  VAL   9          HG23      VAL   9  -1.142  -1.547  -3.459
   76    H    ALA  10           H        ALA  10   0.313  -3.011   0.461
   77    HA   ALA  10           HA       ALA  10  -1.753  -1.268   1.289
   78    HB1  ALA  10           HB1      ALA  10  -2.093  -3.762   2.814
   79    HB2  ALA  10           HB2      ALA  10  -3.289  -2.577   2.288
   80    HB3  ALA  10           HB3      ALA  10  -2.699  -3.793   1.157
   81    HB2  I4G  11           HB2      I4G  11  -0.436   0.219   1.157
   82    HB3  I4G  11           HB3      I4G  11   0.435   1.255   2.071
   83    HG   I4G  11           HG       I4G  11  -2.207   0.436   3.101
   84   HD13  I4G  11          HD13      I4G  11  -0.693   3.107   3.185
   85   HD11  I4G  11          HD11      I4G  11  -2.247   2.788   3.977
   86   HD12  I4G  11          HD12      I4G  11  -0.793   1.936   4.506
   87   HD23  I4G  11          HD23      I4G  11  -2.662   0.986   0.718
   88   HD22  I4G  11          HD22      I4G  11  -1.862   2.554   0.914
   89   HD21  I4G  11          HD21      I4G  11  -3.363   2.205   1.791
   90    HA2  I4G  11           HA2      I4G  11   1.513  -1.027   4.330
   91    HA3  I4G  11           HA3      I4G  11   0.752   0.392   4.605
   92    H    HIS  12           H        HIS  12   2.235  -0.541   1.676
   93    HA   HIS  12           HA       HIS  12   4.245   1.581   2.060
   94    HB2  HIS  12           HB2      HIS  12   5.507   0.181   0.250
   95    HB3  HIS  12           HB3      HIS  12   5.541  -0.340   1.931
   96    HD1  HIS  12           HD1      HIS  12   5.585  -2.818   1.800
   97    HD2  HIS  12           HD2      HIS  12   2.758  -1.170  -0.761
   98    HE1  HIS  12           HE1      HIS  12   4.345  -4.773   0.820
   99    H    VAL  13           H        VAL  13   1.539   0.647   0.334
  100    HA   VAL  13           HA       VAL  13   2.053   1.492  -2.274
  101    HB   VAL  13           HB       VAL  13  -0.555   1.763  -0.773
  102   HG11  VAL  13          HG11      VAL  13   0.251   2.248  -3.542
  103   HG12  VAL  13          HG12      VAL  13  -1.152   1.188  -3.377
  104   HG13  VAL  13          HG13      VAL  13  -1.174   2.799  -2.661
  105   HG21  VAL  13          HG21      VAL  13   0.522  -0.544  -2.393
  106   HG22  VAL  13          HG22      VAL  13   0.304  -0.514  -0.642
  107   HG23  VAL  13          HG23      VAL  13  -1.101  -0.438  -1.707
  108    H    VAL  14           H        VAL  14   0.711   3.348   0.454
  109    HA   VAL  14           HA       VAL  14   0.334   5.781  -0.782
  110    HB   VAL  14           HB       VAL  14   1.321   5.321   2.037
  111   HG11  VAL  14          HG11      VAL  14   1.483   7.539   2.144
  112   HG12  VAL  14          HG12      VAL  14   0.756   7.737   0.548
  113   HG13  VAL  14          HG13      VAL  14  -0.271   7.593   1.974
  114   HG21  VAL  14          HG21      VAL  14  -0.774   4.138   1.465
  115   HG22  VAL  14          HG22      VAL  14  -1.003   5.390   2.686
  116   HG23  VAL  14          HG23      VAL  14  -1.494   5.685   1.018
  117    H    GLY  15           H        GLY  15   3.319   4.423   0.535
  118    HA2  GLY  15           HA2      GLY  15   4.947   6.683   0.361
  119    HA3  GLY  15           HA3      GLY  15   5.515   5.024   0.248
  120    H    ALA  16           H        ALA  16   3.806   4.545  -2.141
  121    HA   ALA  16           HA       ALA  16   5.663   5.679  -4.090
  122    HB1  ALA  16           HB1      ALA  16   5.206   3.895  -5.450
  123    HB2  ALA  16           HB2      ALA  16   4.917   3.169  -3.868
  124    HB3  ALA  16           HB3      ALA  16   3.557   3.718  -4.849
  125    H    ILE  17           H        ILE  17   2.162   5.368  -3.563
  126    HA   ILE  17           HA       ILE  17   1.287   6.765  -5.805
  127    HB   ILE  17           HB       ILE  17  -0.006   6.716  -3.076
  128   HG12  ILE  17          HG12      ILE  17   0.386   4.461  -3.898
  129   HG13  ILE  17          HG13      ILE  17  -1.330   4.839  -4.005
  130   HG21  ILE  17          HG21      ILE  17  -1.079   7.403  -5.803
  131   HG22  ILE  17          HG22      ILE  17  -2.099   7.068  -4.405
  132   HG23  ILE  17          HG23      ILE  17  -0.997   8.444  -4.382
  133   HD11  ILE  17          HD11      ILE  17   0.671   4.749  -6.243
  134   HD12  ILE  17          HD12      ILE  17  -0.720   3.694  -5.986
  135   HD13  ILE  17          HD13      ILE  17  -0.963   5.387  -6.415
  136    H    ALA  18           H        ALA  18   2.418   7.939  -2.692
  137    HA   ALA  18           HA       ALA  18   1.668  10.663  -3.160
  138    HB1  ALA  18           HB1      ALA  18   2.720  11.161  -1.110
  139    HB2  ALA  18           HB2      ALA  18   1.996   9.565  -0.901
  140    HB3  ALA  18           HB3      ALA  18   3.730   9.716  -1.189
  141    H    GLU  19           H        GLU  19   4.124   8.708  -4.357
  142    HA   GLU  19           HA       GLU  19   6.190  10.689  -4.548
  143    HB2  GLU  19           HB2      GLU  19   6.334   8.060  -4.618
  144    HB3  GLU  19           HB3      GLU  19   6.084   8.298  -6.341
  145    HG2  GLU  19           HG2      GLU  19   8.037   9.900  -6.271
  146    HG3  GLU  19           HG3      GLU  19   8.351   9.294  -4.645
  147    H    HIS  20           H        HIS  20   3.912   9.228  -6.858
  148    HA   HIS  20           HA       HIS  20   4.696  11.002  -8.978
  149    HB2  HIS  20           HB2      HIS  20   3.292   9.773 -10.340
  150    HB3  HIS  20           HB3      HIS  20   3.666   8.585  -9.096
  151    HD1  HIS  20           HD1      HIS  20   0.882  10.588 -10.512
  152    HD2  HIS  20           HD2      HIS  20   1.530   7.998  -7.329
  153    HE1  HIS  20           HE1      HIS  20  -1.406   9.983  -9.663
  154    H    PHE  21           H        PHE  21   2.385  11.047  -6.417
  155    HA   PHE  21           HA       PHE  21   1.193  13.492  -7.550
  156    HB2  PHE  21           HB2      PHE  21  -0.134  11.161  -6.851
  157    HB3  PHE  21           HB3      PHE  21  -0.383  12.207  -5.457
  158    HD1  PHE  21           HD2      PHE  21  -0.507  12.384  -9.182
  159    HD2  PHE  21           HD1      PHE  21  -2.216  13.581  -5.473
  160    HE1  PHE  21           HE2      PHE  21  -2.298  13.559 -10.392
  161    HE2  PHE  21           HE1      PHE  21  -4.012  14.758  -6.677
  162    HZ   PHE  21           HZ       PHE  21  -4.053  14.748  -9.139
  163    HN1  NH2  22           HN1      NH2  22   3.756  13.378  -6.025
  164    HN2  NH2  22           HN2      NH2  22   3.495  14.249  -4.482
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  -3.564 -17.620   3.209
    2    H2   GLY   1           H2       GLY   1  -4.482 -16.384   2.664
    3    H3   GLY   1           H3       GLY   1  -4.838 -17.808   2.482
    4    HA2  GLY   1           HA2      GLY   1  -2.223 -17.279   1.420
    5    HA3  GLY   1           HA3      GLY   1  -3.546 -18.081   0.586
    6    H    LEU   2           H        LEU   2  -5.500 -16.157   0.612
    7    HA   LEU   2           HA       LEU   2  -4.773 -14.535  -1.554
    8    HB2  LEU   2           HB2      LEU   2  -7.108 -15.289  -0.527
    9    HB3  LEU   2           HB3      LEU   2  -7.013 -13.685   0.195
   10    HG   LEU   2           HG       LEU   2  -6.598 -12.890  -2.241
   11   HD11  LEU   2          HD11      LEU   2  -7.644 -14.268  -3.938
   12   HD12  LEU   2          HD12      LEU   2  -7.981 -15.521  -2.744
   13   HD13  LEU   2          HD13      LEU   2  -6.315 -15.142  -3.178
   14   HD21  LEU   2          HD21      LEU   2  -8.940 -12.532  -2.535
   15   HD22  LEU   2          HD22      LEU   2  -8.599 -12.454  -0.806
   16   HD23  LEU   2          HD23      LEU   2  -9.337 -13.900  -1.496
   17    H    PHE   3           H        PHE   3  -5.614 -13.475   1.750
   18    HA   PHE   3           HA       PHE   3  -4.778 -10.833   1.459
   19    HB2  PHE   3           HB2      PHE   3  -5.772 -12.468   3.547
   20    HB3  PHE   3           HB3      PHE   3  -4.304 -11.707   4.152
   21    HD1  PHE   3           HD1      PHE   3  -4.154  -9.287   4.364
   22    HD2  PHE   3           HD2      PHE   3  -7.732 -11.179   3.043
   23    HE1  PHE   3           HE1      PHE   3  -5.404  -7.211   4.788
   24    HE2  PHE   3           HE2      PHE   3  -8.987  -9.104   3.464
   25    HZ   PHE   3           HZ       PHE   3  -7.824  -7.117   4.336
   26    H    GLY   4           H        GLY   4  -2.954 -13.733   2.060
   27    HA2  GLY   4           HA2      GLY   4  -0.631 -12.778   3.202
   28    HA3  GLY   4           HA3      GLY   4  -0.688 -14.111   2.057
   29    H    VAL   5           H        VAL   5  -1.735 -12.411  -0.099
   30    HA   VAL   5           HA       VAL   5   0.821 -11.216  -0.878
   31    HB   VAL   5           HB       VAL   5  -1.610 -11.859  -2.554
   32   HG11  VAL   5          HG11      VAL   5   0.335 -11.590  -4.350
   33   HG12  VAL   5          HG12      VAL   5  -0.663 -10.230  -3.828
   34   HG13  VAL   5          HG13      VAL   5   0.942 -10.468  -3.134
   35   HG21  VAL   5          HG21      VAL   5  -0.801 -13.914  -2.813
   36   HG22  VAL   5          HG22      VAL   5   0.804 -13.297  -3.202
   37   HG23  VAL   5          HG23      VAL   5   0.345 -13.561  -1.520
   38    H    LEU   6           H        LEU   6  -2.410 -10.369  -0.023
   39    HA   LEU   6           HA       LEU   6  -2.780  -7.945  -1.304
   40    HB2  LEU   6           HB2      LEU   6  -3.726  -9.149   1.228
   41    HB3  LEU   6           HB3      LEU   6  -3.921  -7.406   1.058
   42    HG   LEU   6           HG       LEU   6  -5.037  -9.483  -0.827
   43   HD11  LEU   6          HD11      LEU   6  -7.195  -8.334   0.194
   44   HD12  LEU   6          HD12      LEU   6  -6.119  -8.115   1.572
   45   HD13  LEU   6          HD13      LEU   6  -6.433  -9.734   0.949
   46   HD21  LEU   6          HD21      LEU   6  -6.399  -7.361  -1.488
   47   HD22  LEU   6          HD22      LEU   6  -4.785  -7.613  -2.153
   48   HD23  LEU   6          HD23      LEU   6  -5.020  -6.496  -0.808
   49    H    ALA   7           H        ALA   7  -0.662  -8.752   1.326
   50    HA   ALA   7           HA       ALA   7  -0.207  -6.210   2.406
   51    HB1  ALA   7           HB1      ALA   7   1.626  -7.131   3.500
   52    HB2  ALA   7           HB2      ALA   7   0.572  -8.523   3.236
   53    HB3  ALA   7           HB3      ALA   7   1.966  -8.260   2.188
   54    H    LYS   8           H        LYS   8   0.869  -7.658  -0.553
   55    HA   LYS   8           HA       LYS   8   3.119  -6.032  -1.055
   56    HB2  LYS   8           HB2      LYS   8   1.951  -8.170  -2.303
   57    HB3  LYS   8           HB3      LYS   8   1.567  -6.859  -3.411
   58    HG2  LYS   8           HG2      LYS   8   4.352  -6.936  -2.481
   59    HG3  LYS   8           HG3      LYS   8   3.847  -8.297  -3.484
   60    HD2  LYS   8           HD2      LYS   8   3.045  -5.612  -4.420
   61    HD3  LYS   8           HD3      LYS   8   4.771  -5.978  -4.483
   62    HE2  LYS   8           HE2      LYS   8   4.442  -7.139  -6.346
   63    HE3  LYS   8           HE3      LYS   8   3.389  -8.243  -5.461
   64    HZ1  LYS   8           HZ1      LYS   8   2.670  -5.918  -7.111
   65    HZ2  LYS   8           HZ2      LYS   8   1.638  -6.397  -5.859
   66    HZ3  LYS   8           HZ3      LYS   8   2.010  -7.474  -7.109
   67    H    VAL   9           H        VAL   9  -0.190  -5.312  -0.997
   68    HA   VAL   9           HA       VAL   9   0.345  -2.688  -2.186
   69    HB   VAL   9           HB       VAL   9  -0.731  -4.072  -3.932
   70   HG11  VAL   9          HG11      VAL   9  -2.387  -4.865  -1.746
   71   HG12  VAL   9          HG12      VAL   9  -3.395  -4.148  -3.005
   72   HG13  VAL   9          HG13      VAL   9  -2.336  -5.506  -3.389
   73   HG21  VAL   9          HG21      VAL   9  -2.815  -2.110  -3.119
   74   HG22  VAL   9          HG22      VAL   9  -1.179  -1.522  -3.414
   75   HG23  VAL   9          HG23      VAL   9  -2.056  -2.366  -4.691
   76    H    ALA  10           H        ALA  10   0.338  -2.998   0.465
   77    HA   ALA  10           HA       ALA  10  -1.740  -1.289   1.328
   78    HB1  ALA  10           HB1      ALA  10  -3.025  -3.410   1.157
   79    HB2  ALA  10           HB2      ALA  10  -1.961  -4.105   2.380
   80    HB3  ALA  10           HB3      ALA  10  -2.990  -2.730   2.784
   81    HB2  I4G  11           HB2      I4G  11  -0.439   0.214   1.208
   82    HB3  I4G  11           HB3      I4G  11   0.420   1.249   2.135
   83    HG   I4G  11           HG       I4G  11  -2.222   0.371   3.132
   84   HD13  I4G  11          HD13      I4G  11  -0.718   3.042   3.338
   85   HD11  I4G  11          HD11      I4G  11  -2.279   2.685   4.103
   86   HD12  I4G  11          HD12      I4G  11  -0.827   1.817   4.610
   87   HD23  I4G  11          HD23      I4G  11  -2.657   1.016   0.770
   88   HD22  I4G  11          HD22      I4G  11  -1.865   2.578   1.036
   89   HD21  I4G  11          HD21      I4G  11  -3.373   2.187   1.884
   90    HA2  I4G  11           HA2      I4G  11   1.534  -1.052   4.358
   91    HA3  I4G  11           HA3      I4G  11   0.768   0.361   4.646
   92    H    HIS  12           H        HIS  12   2.229  -0.528   1.694
   93    HA   HIS  12           HA       HIS  12   4.229   1.601   2.086
   94    HB2  HIS  12           HB2      HIS  12   5.495   0.223   0.264
   95    HB3  HIS  12           HB3      HIS  12   5.542  -0.308   1.943
   96    HD1  HIS  12           HD1      HIS  12   5.600  -2.784   1.805
   97    HD2  HIS  12           HD2      HIS  12   2.761  -1.147  -0.750
   98    HE1  HIS  12           HE1      HIS  12   4.374  -4.745   0.817
   99    H    VAL  13           H        VAL  13   1.517   0.670   0.377
  100    HA   VAL  13           HA       VAL  13   2.022   1.535  -2.231
  101    HB   VAL  13           HB       VAL  13  -0.592   1.760  -0.733
  102   HG11  VAL  13          HG11      VAL  13   0.091   2.668  -3.265
  103   HG12  VAL  13          HG12      VAL  13  -0.730   1.133  -3.554
  104   HG13  VAL  13          HG13      VAL  13  -1.538   2.409  -2.641
  105   HG21  VAL  13          HG21      VAL  13   0.522  -0.533  -2.345
  106   HG22  VAL  13          HG22      VAL  13   0.301  -0.503  -0.596
  107   HG23  VAL  13          HG23      VAL  13  -1.102  -0.449  -1.664
  108    H    VAL  14           H        VAL  14   0.739   3.340   0.553
  109    HA   VAL  14           HA       VAL  14   0.261   5.779  -0.636
  110    HB   VAL  14           HB       VAL  14   1.384   5.303   2.129
  111   HG11  VAL  14          HG11      VAL  14   1.674   7.608   1.553
  112   HG12  VAL  14          HG12      VAL  14   0.030   7.708   0.918
  113   HG13  VAL  14          HG13      VAL  14   0.297   7.486   2.648
  114   HG21  VAL  14          HG21      VAL  14  -0.718   4.098   1.641
  115   HG22  VAL  14          HG22      VAL  14  -0.914   5.336   2.881
  116   HG23  VAL  14          HG23      VAL  14  -1.479   5.636   1.237
  117    H    GLY  15           H        GLY  15   3.321   4.580   0.720
  118    HA2  GLY  15           HA2      GLY  15   4.864   6.871   0.360
  119    HA3  GLY  15           HA3      GLY  15   5.492   5.230   0.354
  120    H    ALA  16           H        ALA  16   3.681   4.626  -1.992
  121    HA   ALA  16           HA       ALA  16   5.548   5.572  -4.026
  122    HB1  ALA  16           HB1      ALA  16   3.442   3.790  -4.946
  123    HB2  ALA  16           HB2      ALA  16   5.195   3.627  -5.060
  124    HB3  ALA  16           HB3      ALA  16   4.357   3.127  -3.590
  125    H    ILE  17           H        ILE  17   2.028   5.388  -3.515
  126    HA   ILE  17           HA       ILE  17   1.227   6.767  -5.793
  127    HB   ILE  17           HB       ILE  17  -0.100   6.785  -3.080
  128   HG12  ILE  17          HG12      ILE  17  -0.559   4.994  -5.477
  129   HG13  ILE  17          HG13      ILE  17   0.281   4.520  -4.004
  130   HG21  ILE  17          HG21      ILE  17  -0.725   8.187  -5.474
  131   HG22  ILE  17          HG22      ILE  17  -1.957   6.955  -5.210
  132   HG23  ILE  17          HG23      ILE  17  -1.619   8.146  -3.954
  133   HD11  ILE  17          HD11      ILE  17  -2.031   3.715  -4.080
  134   HD12  ILE  17          HD12      ILE  17  -1.746   4.806  -2.723
  135   HD13  ILE  17          HD13      ILE  17  -2.597   5.384  -4.155
  136    H    ALA  18           H        ALA  18   2.338   7.972  -2.684
  137    HA   ALA  18           HA       ALA  18   1.666  10.704  -3.204
  138    HB1  ALA  18           HB1      ALA  18   2.884  11.206  -1.185
  139    HB2  ALA  18           HB2      ALA  18   1.890   9.773  -0.924
  140    HB3  ALA  18           HB3      ALA  18   3.625   9.605  -1.192
  141    H    GLU  19           H        GLU  19   4.107   8.666  -4.323
  142    HA   GLU  19           HA       GLU  19   6.210  10.593  -4.555
  143    HB2  GLU  19           HB2      GLU  19   6.289   7.963  -4.588
  144    HB3  GLU  19           HB3      GLU  19   6.042   8.182  -6.315
  145    HG2  GLU  19           HG2      GLU  19   8.056   9.439  -6.520
  146    HG3  GLU  19           HG3      GLU  19   8.258   9.500  -4.770
  147    H    HIS  20           H        HIS  20   3.909   9.156  -6.857
  148    HA   HIS  20           HA       HIS  20   4.738  10.896  -8.991
  149    HB2  HIS  20           HB2      HIS  20   3.327   9.675 -10.352
  150    HB3  HIS  20           HB3      HIS  20   3.672   8.493  -9.092
  151    HD1  HIS  20           HD1      HIS  20   0.934  10.539 -10.545
  152    HD2  HIS  20           HD2      HIS  20   1.510   7.948  -7.349
  153    HE1  HIS  20           HE1      HIS  20  -1.371   9.975  -9.713
  154    H    PHE  21           H        PHE  21   2.410  11.000  -6.447
  155    HA   PHE  21           HA       PHE  21   1.252  13.444  -7.617
  156    HB2  PHE  21           HB2      PHE  21  -0.111  11.156  -6.911
  157    HB3  PHE  21           HB3      PHE  21  -0.314  12.177  -5.491
  158    HD1  PHE  21           HD2      PHE  21  -0.387  12.617  -9.201
  159    HD2  PHE  21           HD1      PHE  21  -2.244  13.400  -5.451
  160    HE1  PHE  21           HE2      PHE  21  -2.180  13.849 -10.349
  161    HE2  PHE  21           HE1      PHE  21  -4.040  14.632  -6.594
  162    HZ   PHE  21           HZ       PHE  21  -4.009  14.860  -9.046
  163    HN1  NH2  22           HN1      NH2  22   3.812  13.399  -6.139
  164    HN2  NH2  22           HN2      NH2  22   3.569  14.278  -4.598
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1  -1.381 -17.325   1.838
    2    H2   GLY   1           H2       GLY   1  -1.959 -18.681   1.135
    3    H3   GLY   1           H3       GLY   1  -1.538 -17.484   0.376
    4    HA2  GLY   1           HA2      GLY   1  -4.094 -17.955   1.026
    5    HA3  GLY   1           HA3      GLY   1  -3.579 -16.955   2.374
    6    H    LEU   2           H        LEU   2  -5.622 -16.085   0.820
    7    HA   LEU   2           HA       LEU   2  -4.906 -14.502  -1.390
    8    HB2  LEU   2           HB2      LEU   2  -7.233 -15.238  -0.435
    9    HB3  LEU   2           HB3      LEU   2  -7.134 -13.704   0.428
   10    HG   LEU   2           HG       LEU   2  -6.564 -13.018  -2.192
   11   HD11  LEU   2          HD11      LEU   2  -8.876 -14.950  -2.196
   12   HD12  LEU   2          HD12      LEU   2  -7.284 -15.294  -2.870
   13   HD13  LEU   2          HD13      LEU   2  -8.273 -14.004  -3.557
   14   HD21  LEU   2          HD21      LEU   2  -7.952 -11.821  -0.514
   15   HD22  LEU   2          HD22      LEU   2  -9.260 -12.957  -0.842
   16   HD23  LEU   2          HD23      LEU   2  -8.681 -11.887  -2.119
   17    H    PHE   3           H        PHE   3  -5.742 -13.379   1.894
   18    HA   PHE   3           HA       PHE   3  -4.875 -10.756   1.571
   19    HB2  PHE   3           HB2      PHE   3  -6.174 -11.973   3.528
   20    HB3  PHE   3           HB3      PHE   3  -4.564 -12.076   4.232
   21    HD1  PHE   3           HD1      PHE   3  -3.235  -9.891   4.434
   22    HD2  PHE   3           HD2      PHE   3  -7.436 -10.045   3.767
   23    HE1  PHE   3           HE1      PHE   3  -3.447  -7.583   5.261
   24    HE2  PHE   3           HE2      PHE   3  -7.654  -7.737   4.592
   25    HZ   PHE   3           HZ       PHE   3  -5.658  -6.503   5.339
   26    H    GLY   4           H        GLY   4  -3.073 -13.663   2.201
   27    HA2  GLY   4           HA2      GLY   4  -0.737 -12.713   3.321
   28    HA3  GLY   4           HA3      GLY   4  -0.809 -14.059   2.194
   29    H    VAL   5           H        VAL   5  -1.848 -12.384   0.018
   30    HA   VAL   5           HA       VAL   5   0.713 -11.216  -0.784
   31    HB   VAL   5           HB       VAL   5  -1.727 -11.866  -2.445
   32   HG11  VAL   5          HG11      VAL   5  -0.801 -10.325  -3.806
   33   HG12  VAL   5          HG12      VAL   5   0.780 -10.429  -3.028
   34   HG13  VAL   5          HG13      VAL   5   0.296 -11.644  -4.211
   35   HG21  VAL   5          HG21      VAL   5  -0.581 -13.850  -1.572
   36   HG22  VAL   5          HG22      VAL   5  -0.395 -13.709  -3.320
   37   HG23  VAL   5          HG23      VAL   5   0.939 -13.269  -2.254
   38    H    LEU   6           H        LEU   6  -2.509 -10.335   0.071
   39    HA   LEU   6           HA       LEU   6  -2.868  -7.928  -1.244
   40    HB2  LEU   6           HB2      LEU   6  -3.807  -9.083   1.314
   41    HB3  LEU   6           HB3      LEU   6  -3.996  -7.343   1.111
   42    HG   LEU   6           HG       LEU   6  -5.116  -9.435  -0.753
   43   HD11  LEU   6          HD11      LEU   6  -6.565  -9.727   0.944
   44   HD12  LEU   6          HD12      LEU   6  -7.256  -8.220   0.344
   45   HD13  LEU   6          HD13      LEU   6  -6.144  -8.195   1.711
   46   HD21  LEU   6          HD21      LEU   6  -5.479  -7.765  -2.165
   47   HD22  LEU   6          HD22      LEU   6  -4.665  -6.649  -1.067
   48   HD23  LEU   6          HD23      LEU   6  -6.405  -6.913  -0.928
   49    H    ALA   7           H        ALA   7  -0.743  -8.709   1.388
   50    HA   ALA   7           HA       ALA   7  -0.264  -6.157   2.429
   51    HB1  ALA   7           HB1      ALA   7   0.655  -7.758   3.763
   52    HB2  ALA   7           HB2      ALA   7   1.219  -8.727   2.401
   53    HB3  ALA   7           HB3      ALA   7   2.096  -7.271   2.870
   54    H    LYS   8           H        LYS   8   0.786  -7.652  -0.515
   55    HA   LYS   8           HA       LYS   8   3.043  -6.050  -1.056
   56    HB2  LYS   8           HB2      LYS   8   1.847  -8.191  -2.270
   57    HB3  LYS   8           HB3      LYS   8   1.460  -6.890  -3.389
   58    HG2  LYS   8           HG2      LYS   8   4.261  -7.052  -2.462
   59    HG3  LYS   8           HG3      LYS   8   3.700  -8.328  -3.543
   60    HD2  LYS   8           HD2      LYS   8   2.734  -5.963  -4.660
   61    HD3  LYS   8           HD3      LYS   8   4.374  -5.580  -4.130
   62    HE2  LYS   8           HE2      LYS   8   4.865  -7.932  -5.272
   63    HE3  LYS   8           HE3      LYS   8   3.433  -7.488  -6.200
   64    HZ1  LYS   8           HZ1      LYS   8   6.055  -6.157  -6.087
   65    HZ2  LYS   8           HZ2      LYS   8   4.679  -5.257  -6.485
   66    HZ3  LYS   8           HZ3      LYS   8   5.128  -6.581  -7.437
   67    H    VAL   9           H        VAL   9  -0.262  -5.302  -0.987
   68    HA   VAL   9           HA       VAL   9   0.290  -2.693  -2.203
   69    HB   VAL   9           HB       VAL   9  -0.811  -4.090  -3.927
   70   HG11  VAL   9          HG11      VAL   9  -2.437  -5.490  -3.365
   71   HG12  VAL   9          HG12      VAL   9  -2.459  -4.842  -1.724
   72   HG13  VAL   9          HG13      VAL   9  -3.470  -4.115  -2.975
   73   HG21  VAL   9          HG21      VAL   9  -2.121  -2.381  -4.700
   74   HG22  VAL   9          HG22      VAL   9  -2.863  -2.089  -3.127
   75   HG23  VAL   9          HG23      VAL   9  -1.221  -1.531  -3.445
   76    H    ALA  10           H        ALA  10   0.292  -2.994   0.455
   77    HA   ALA  10           HA       ALA  10  -1.766  -1.254   1.311
   78    HB1  ALA  10           HB1      ALA  10  -2.458  -3.185   3.095
   79    HB2  ALA  10           HB2      ALA  10  -3.377  -2.780   1.644
   80    HB3  ALA  10           HB3      ALA  10  -2.242  -4.130   1.622
   81    HB2  I4G  11           HB2      I4G  11  -0.454   0.234   1.162
   82    HB3  I4G  11           HB3      I4G  11   0.429   1.271   2.063
   83    HG   I4G  11           HG       I4G  11  -2.217   0.442   3.093
   84   HD13  I4G  11          HD13      I4G  11  -0.667   3.088   3.276
   85   HD11  I4G  11          HD11      I4G  11  -2.229   2.762   4.051
   86   HD12  I4G  11          HD12      I4G  11  -0.789   1.872   4.554
   87   HD23  I4G  11          HD23      I4G  11  -2.658   1.082   0.730
   88   HD22  I4G  11          HD22      I4G  11  -1.837   2.631   0.983
   89   HD21  I4G  11          HD21      I4G  11  -3.346   2.272   1.843
   90    HA2  I4G  11           HA2      I4G  11   1.541  -1.008   4.307
   91    HA3  I4G  11           HA3      I4G  11   0.782   0.409   4.594
   92    H    HIS  12           H        HIS  12   2.227  -0.520   1.644
   93    HA   HIS  12           HA       HIS  12   4.236   1.607   2.003
   94    HB2  HIS  12           HB2      HIS  12   5.470   0.208   0.168
   95    HB3  HIS  12           HB3      HIS  12   5.540  -0.304   1.851
   96    HD1  HIS  12           HD1      HIS  12   5.559  -2.780   1.770
   97    HD2  HIS  12           HD2      HIS  12   2.741  -1.162  -0.818
   98    HE1  HIS  12           HE1      HIS  12   4.316  -4.746   0.815
   99    H    VAL  13           H        VAL  13   1.509   0.667   0.311
  100    HA   VAL  13           HA       VAL  13   1.987   1.518  -2.301
  101    HB   VAL  13           HB       VAL  13  -0.602   1.779  -0.766
  102   HG11  VAL  13          HG11      VAL  13  -0.834   1.155  -3.569
  103   HG12  VAL  13          HG12      VAL  13  -1.548   2.483  -2.651
  104   HG13  VAL  13          HG13      VAL  13   0.071   2.649  -3.332
  105   HG21  VAL  13          HG21      VAL  13  -1.153  -0.421  -1.693
  106   HG22  VAL  13          HG22      VAL  13   0.457  -0.524  -2.405
  107   HG23  VAL  13          HG23      VAL  13   0.269  -0.495  -0.651
  108    H    VAL  14           H        VAL  14   0.764   3.361   0.484
  109    HA   VAL  14           HA       VAL  14   0.303   5.797  -0.720
  110    HB   VAL  14           HB       VAL  14   1.454   5.332   2.035
  111   HG11  VAL  14          HG11      VAL  14   1.745   7.584   1.823
  112   HG12  VAL  14          HG12      VAL  14   0.450   7.752   0.635
  113   HG13  VAL  14          HG13      VAL  14   0.061   7.561   2.345
  114   HG21  VAL  14          HG21      VAL  14  -1.417   5.690   1.184
  115   HG22  VAL  14          HG22      VAL  14  -0.670   4.141   1.576
  116   HG23  VAL  14          HG23      VAL  14  -0.828   5.383   2.818
  117    H    GLY  15           H        GLY  15   3.365   4.524   0.544
  118    HA2  GLY  15           HA2      GLY  15   4.942   6.798   0.187
  119    HA3  GLY  15           HA3      GLY  15   5.538   5.146   0.149
  120    H    ALA  16           H        ALA  16   3.699   4.567  -2.161
  121    HA   ALA  16           HA       ALA  16   5.526   5.514  -4.225
  122    HB1  ALA  16           HB1      ALA  16   5.256   3.423  -4.926
  123    HB2  ALA  16           HB2      ALA  16   3.899   3.165  -3.829
  124    HB3  ALA  16           HB3      ALA  16   3.625   3.872  -5.421
  125    H    ILE  17           H        ILE  17   1.999   5.322  -3.731
  126    HA   ILE  17           HA       ILE  17   1.231   6.806  -5.955
  127    HB   ILE  17           HB       ILE  17  -0.149   6.692  -3.271
  128   HG12  ILE  17          HG12      ILE  17  -0.531   4.993  -5.746
  129   HG13  ILE  17          HG13      ILE  17   0.269   4.471  -4.268
  130   HG21  ILE  17          HG21      ILE  17  -0.738   8.182  -5.621
  131   HG22  ILE  17          HG22      ILE  17  -1.965   6.930  -5.427
  132   HG23  ILE  17          HG23      ILE  17  -1.660   8.075  -4.121
  133   HD11  ILE  17          HD11      ILE  17  -1.992   3.624  -4.369
  134   HD12  ILE  17          HD12      ILE  17  -1.826   4.773  -3.042
  135   HD13  ILE  17          HD13      ILE  17  -2.620   5.262  -4.538
  136    H    ALA  18           H        ALA  18   2.292   7.861  -2.777
  137    HA   ALA  18           HA       ALA  18   1.627  10.620  -3.214
  138    HB1  ALA  18           HB1      ALA  18   3.588   9.707  -1.150
  139    HB2  ALA  18           HB2      ALA  18   2.410  11.018  -1.074
  140    HB3  ALA  18           HB3      ALA  18   1.871   9.342  -0.971
  141    H    GLU  19           H        GLU  19   4.089   8.616  -4.309
  142    HA   GLU  19           HA       GLU  19   6.214  10.551  -4.330
  143    HB2  GLU  19           HB2      GLU  19   6.305   7.918  -4.400
  144    HB3  GLU  19           HB3      GLU  19   6.190   8.170  -6.136
  145    HG2  GLU  19           HG2      GLU  19   8.378   8.464  -6.180
  146    HG3  GLU  19           HG3      GLU  19   8.154   9.949  -5.257
  147    H    HIS  20           H        HIS  20   4.043   9.160  -6.777
  148    HA   HIS  20           HA       HIS  20   5.013  10.920  -8.838
  149    HB2  HIS  20           HB2      HIS  20   3.711   9.705 -10.300
  150    HB3  HIS  20           HB3      HIS  20   3.941   8.516  -9.023
  151    HD1  HIS  20           HD1      HIS  20   1.354  10.419 -10.808
  152    HD2  HIS  20           HD2      HIS  20   1.639   8.172  -7.326
  153    HE1  HIS  20           HE1      HIS  20  -1.017   9.928 -10.129
  154    H    PHE  21           H        PHE  21   2.631  11.063  -6.384
  155    HA   PHE  21           HA       PHE  21   1.245  13.282  -7.715
  156    HB2  PHE  21           HB2      PHE  21  -0.184  11.488  -6.835
  157    HB3  PHE  21           HB3      PHE  21   0.490  11.732  -5.227
  158    HD1  PHE  21           HD2      PHE  21  -1.717  13.106  -7.806
  159    HD2  PHE  21           HD1      PHE  21  -0.175  13.599  -3.870
  160    HE1  PHE  21           HE2      PHE  21  -3.457  14.781  -7.339
  161    HE2  PHE  21           HE1      PHE  21  -1.913  15.275  -3.395
  162    HZ   PHE  21           HZ       PHE  21  -3.556  15.868  -5.132
  163    HN1  NH2  22           HN1      NH2  22   1.891  12.529  -4.147
  164    HN2  NH2  22           HN2      NH2  22   2.596  14.121  -3.731
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  -3.531 -16.145   2.895
    2    H2   GLY   1           H2       GLY   1  -4.037 -17.539   3.579
    3    H3   GLY   1           H3       GLY   1  -2.768 -17.410   2.829
    4    HA2  GLY   1           HA2      GLY   1  -4.036 -18.342   1.102
    5    HA3  GLY   1           HA3      GLY   1  -5.475 -17.611   1.796
    6    H    LEU   2           H        LEU   2  -6.232 -15.743   0.964
    7    HA   LEU   2           HA       LEU   2  -4.899 -14.726  -1.411
    8    HB2  LEU   2           HB2      LEU   2  -7.574 -14.049  -0.198
    9    HB3  LEU   2           HB3      LEU   2  -6.969 -13.431  -1.733
   10    HG   LEU   2           HG       LEU   2  -8.456 -15.123  -2.334
   11   HD11  LEU   2          HD11      LEU   2  -7.147 -16.633  -3.517
   12   HD12  LEU   2          HD12      LEU   2  -5.919 -16.713  -2.254
   13   HD13  LEU   2          HD13      LEU   2  -6.056 -15.272  -3.260
   14   HD21  LEU   2          HD21      LEU   2  -8.190 -16.055   0.184
   15   HD22  LEU   2          HD22      LEU   2  -7.303 -17.292  -0.708
   16   HD23  LEU   2          HD23      LEU   2  -8.985 -16.943  -1.115
   17    H    PHE   3           H        PHE   3  -5.476 -13.826   1.880
   18    HA   PHE   3           HA       PHE   3  -4.892 -11.031   1.497
   19    HB2  PHE   3           HB2      PHE   3  -5.890 -12.696   3.623
   20    HB3  PHE   3           HB3      PHE   3  -4.566 -11.699   4.218
   21    HD1  PHE   3           HD2      PHE   3  -7.752 -11.489   2.312
   22    HD2  PHE   3           HD1      PHE   3  -4.962  -9.508   4.844
   23    HE1  PHE   3           HE2      PHE   3  -9.287  -9.575   2.500
   24    HE2  PHE   3           HE1      PHE   3  -6.492  -7.591   5.036
   25    HZ   PHE   3           HZ       PHE   3  -8.658  -7.622   3.862
   26    H    GLY   4           H        GLY   4  -3.129 -13.929   2.307
   27    HA2  GLY   4           HA2      GLY   4  -0.861 -12.937   3.525
   28    HA3  GLY   4           HA3      GLY   4  -0.870 -14.322   2.443
   29    H    VAL   5           H        VAL   5  -1.798 -12.691   0.167
   30    HA   VAL   5           HA       VAL   5   0.815 -11.576  -0.542
   31    HB   VAL   5           HB       VAL   5  -1.554 -12.238  -2.298
   32   HG11  VAL   5          HG11      VAL   5   1.101 -10.998  -2.844
   33   HG12  VAL   5          HG12      VAL   5   0.385 -12.059  -4.056
   34   HG13  VAL   5          HG13      VAL   5  -0.480 -10.618  -3.523
   35   HG21  VAL   5          HG21      VAL   5   0.467 -13.882  -3.067
   36   HG22  VAL   5          HG22      VAL   5   0.746 -13.786  -1.327
   37   HG23  VAL   5          HG23      VAL   5  -0.815 -14.333  -1.943
   38    H    LEU   6           H        LEU   6  -2.446 -10.639   0.107
   39    HA   LEU   6           HA       LEU   6  -2.686  -8.254  -1.274
   40    HB2  LEU   6           HB2      LEU   6  -3.817  -9.365   1.220
   41    HB3  LEU   6           HB3      LEU   6  -3.950  -7.621   1.007
   42    HG   LEU   6           HG       LEU   6  -5.009  -9.703  -0.905
   43   HD11  LEU   6          HD11      LEU   6  -6.062  -8.733   1.542
   44   HD12  LEU   6          HD12      LEU   6  -6.819  -9.806   0.366
   45   HD13  LEU   6          HD13      LEU   6  -7.026  -8.060   0.228
   46   HD21  LEU   6          HD21      LEU   6  -4.933  -6.713  -0.933
   47   HD22  LEU   6          HD22      LEU   6  -6.257  -7.578  -1.714
   48   HD23  LEU   6          HD23      LEU   6  -4.594  -7.855  -2.234
   49    H    ALA   7           H        ALA   7  -0.742  -9.016   1.499
   50    HA   ALA   7           HA       ALA   7  -0.304  -6.455   2.536
   51    HB1  ALA   7           HB1      ALA   7   0.363  -8.492   3.701
   52    HB2  ALA   7           HB2      ALA   7   1.597  -8.796   2.478
   53    HB3  ALA   7           HB3      ALA   7   1.725  -7.386   3.527
   54    H    LYS   8           H        LYS   8   0.943  -8.014  -0.305
   55    HA   LYS   8           HA       LYS   8   3.246  -6.477  -0.739
   56    HB2  LYS   8           HB2      LYS   8   2.064  -8.560  -2.024
   57    HB3  LYS   8           HB3      LYS   8   1.700  -7.245  -3.135
   58    HG2  LYS   8           HG2      LYS   8   4.427  -7.026  -2.384
   59    HG3  LYS   8           HG3      LYS   8   4.112  -8.700  -2.843
   60    HD2  LYS   8           HD2      LYS   8   3.379  -8.084  -4.991
   61    HD3  LYS   8           HD3      LYS   8   3.196  -6.389  -4.533
   62    HE2  LYS   8           HE2      LYS   8   5.905  -7.439  -4.177
   63    HE3  LYS   8           HE3      LYS   8   5.345  -7.455  -5.848
   64    HZ1  LYS   8           HZ1      LYS   8   4.607  -5.003  -4.827
   65    HZ2  LYS   8           HZ2      LYS   8   5.852  -5.314  -5.929
   66    HZ3  LYS   8           HZ3      LYS   8   6.185  -5.256  -4.271
   67    H    VAL   9           H        VAL   9  -0.063  -5.643  -0.921
   68    HA   VAL   9           HA       VAL   9   0.657  -3.067  -2.153
   69    HB   VAL   9           HB       VAL   9  -2.048  -4.325  -2.537
   70   HG11  VAL   9          HG11      VAL   9  -1.964  -2.787  -4.560
   71   HG12  VAL   9          HG12      VAL   9  -2.089  -2.012  -2.979
   72   HG13  VAL   9          HG13      VAL   9  -0.538  -2.064  -3.817
   73   HG21  VAL   9          HG21      VAL   9  -0.747  -5.931  -3.589
   74   HG22  VAL   9          HG22      VAL   9  -1.108  -4.809  -4.901
   75   HG23  VAL   9          HG23      VAL   9   0.465  -4.758  -4.105
   76    H    ALA  10           H        ALA  10   0.723  -3.404   0.560
   77    HA   ALA  10           HA       ALA  10  -1.298  -1.525   1.404
   78    HB1  ALA  10           HB1      ALA  10  -1.173  -3.970   3.098
   79    HB2  ALA  10           HB2      ALA  10  -2.477  -2.798   2.898
   80    HB3  ALA  10           HB3      ALA  10  -2.167  -3.995   1.640
   81    HB2  I4G  11           HB2      I4G  11  -0.145  -0.041   0.894
   82    HB3  I4G  11           HB3      I4G  11   0.891   1.110   1.413
   83    HG   I4G  11           HG       I4G  11  -1.692   1.566   1.560
   84   HD13  I4G  11          HD13      I4G  11  -1.106  -0.022   4.122
   85   HD11  I4G  11          HD11      I4G  11  -2.583   0.909   3.812
   86   HD12  I4G  11          HD12      I4G  11  -2.213  -0.514   2.833
   87   HD23  I4G  11          HD23      I4G  11   0.053   3.146   2.367
   88   HD22  I4G  11          HD22      I4G  11   0.224   2.211   3.861
   89   HD21  I4G  11          HD21      I4G  11  -1.294   3.056   3.510
   90    HA2  I4G  11           HA2      I4G  11   2.345  -0.717   3.872
   91    HA3  I4G  11           HA3      I4G  11   1.526   0.681   4.081
   92    H    HIS  12           H        HIS  12   2.713  -0.559   1.124
   93    HA   HIS  12           HA       HIS  12   4.747   1.558   1.031
   94    HB2  HIS  12           HB2      HIS  12   5.991   0.239  -0.406
   95    HB3  HIS  12           HB3      HIS  12   5.217  -0.985   0.595
   96    HD1  HIS  12           HD1      HIS  12   6.052  -0.564  -2.733
   97    HD2  HIS  12           HD2      HIS  12   2.493  -1.585  -0.847
   98    HE1  HIS  12           HE1      HIS  12   4.675  -1.733  -4.483
   99    H    VAL  13           H        VAL  13   1.747   0.572  -0.308
  100    HA   VAL  13           HA       VAL  13   1.786   1.697  -2.843
  101    HB   VAL  13           HB       VAL  13  -0.509   1.551  -0.885
  102   HG11  VAL  13          HG11      VAL  13  -1.471   2.985  -2.335
  103   HG12  VAL  13          HG12      VAL  13  -0.325   2.618  -3.625
  104   HG13  VAL  13          HG13      VAL  13  -1.680   1.533  -3.313
  105   HG21  VAL  13          HG21      VAL  13   0.494  -0.610  -1.498
  106   HG22  VAL  13          HG22      VAL  13  -1.150  -0.442  -2.114
  107   HG23  VAL  13          HG23      VAL  13   0.224  -0.239  -3.200
  108    H    VAL  14           H        VAL  14   0.388   3.247   0.054
  109    HA   VAL  14           HA       VAL  14   0.033   5.774  -1.008
  110    HB   VAL  14           HB       VAL  14   0.716   5.040   1.841
  111   HG11  VAL  14          HG11      VAL  14  -0.698   7.284   2.104
  112   HG12  VAL  14          HG12      VAL  14   1.061   7.281   1.962
  113   HG13  VAL  14          HG13      VAL  14   0.061   7.622   0.548
  114   HG21  VAL  14          HG21      VAL  14  -1.341   4.021   0.792
  115   HG22  VAL  14          HG22      VAL  14  -1.618   4.977   2.249
  116   HG23  VAL  14          HG23      VAL  14  -1.983   5.659   0.663
  117    H    GLY  15           H        GLY  15   2.947   4.267   0.201
  118    HA2  GLY  15           HA2      GLY  15   4.499   6.630   0.465
  119    HA3  GLY  15           HA3      GLY  15   5.125   4.994   0.318
  120    H    ALA  16           H        ALA  16   3.642   4.653  -2.262
  121    HA   ALA  16           HA       ALA  16   5.670   5.922  -3.942
  122    HB1  ALA  16           HB1      ALA  16   4.157   3.441  -4.038
  123    HB2  ALA  16           HB2      ALA  16   4.174   4.290  -5.583
  124    HB3  ALA  16           HB3      ALA  16   5.694   3.862  -4.796
  125    H    ILE  17           H        ILE  17   2.139   5.502  -3.826
  126    HA   ILE  17           HA       ILE  17   1.471   7.041  -6.042
  127    HB   ILE  17           HB       ILE  17  -0.088   6.727  -3.475
  128   HG12  ILE  17          HG12      ILE  17  -0.180   5.184  -6.076
  129   HG13  ILE  17          HG13      ILE  17   0.437   4.587  -4.540
  130   HG21  ILE  17          HG21      ILE  17  -0.887   8.623  -4.764
  131   HG22  ILE  17          HG22      ILE  17  -0.992   7.619  -6.208
  132   HG23  ILE  17          HG23      ILE  17  -2.050   7.300  -4.834
  133   HD11  ILE  17          HD11      ILE  17  -2.407   5.274  -5.223
  134   HD12  ILE  17          HD12      ILE  17  -1.735   3.683  -4.862
  135   HD13  ILE  17          HD13      ILE  17  -1.847   4.903  -3.592
  136    H    ALA  18           H        ALA  18   2.223   8.015  -2.749
  137    HA   ALA  18           HA       ALA  18   1.428  10.734  -3.055
  138    HB1  ALA  18           HB1      ALA  18   2.285  11.090  -0.912
  139    HB2  ALA  18           HB2      ALA  18   1.743   9.412  -0.883
  140    HB3  ALA  18           HB3      ALA  18   3.458   9.780  -1.063
  141    H    GLU  19           H        GLU  19   4.091   8.964  -4.175
  142    HA   GLU  19           HA       GLU  19   6.057  11.027  -4.123
  143    HB2  GLU  19           HB2      GLU  19   6.308   8.431  -4.429
  144    HB3  GLU  19           HB3      GLU  19   6.111   8.812  -6.134
  145    HG2  GLU  19           HG2      GLU  19   7.985  10.615  -5.480
  146    HG3  GLU  19           HG3      GLU  19   8.366   9.347  -4.317
  147    H    HIS  20           H        HIS  20   3.997   9.705  -6.709
  148    HA   HIS  20           HA       HIS  20   4.803  11.717  -8.588
  149    HB2  HIS  20           HB2      HIS  20   3.496  10.595 -10.142
  150    HB3  HIS  20           HB3      HIS  20   3.912   9.298  -9.027
  151    HD1  HIS  20           HD1      HIS  20   1.037  11.432 -10.127
  152    HD2  HIS  20           HD2      HIS  20   1.778   8.227  -7.589
  153    HE1  HIS  20           HE1      HIS  20  -1.227  10.554  -9.474
  154    H    PHE  21           H        PHE  21   2.346  11.413  -6.182
  155    HA   PHE  21           HA       PHE  21   0.822  13.654  -7.275
  156    HB2  PHE  21           HB2      PHE  21   0.006  11.374  -6.000
  157    HB3  PHE  21           HB3      PHE  21  -0.011  12.542  -4.683
  158    HD1  PHE  21           HD2      PHE  21  -0.939  12.643  -8.300
  159    HD2  PHE  21           HD1      PHE  21  -2.107  13.351  -4.267
  160    HE1  PHE  21           HE2      PHE  21  -3.113  13.489  -9.082
  161    HE2  PHE  21           HE1      PHE  21  -4.284  14.197  -5.044
  162    HZ   PHE  21           HZ       PHE  21  -4.789  14.268  -7.453
  163    HN1  NH2  22           HN1      NH2  22   3.734  13.662  -5.939
  164    HN2  NH2  22           HN2      NH2  22   3.623  14.946  -4.696
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1  -4.007 -16.190   2.825
    2    H2   GLY   1           H2       GLY   1  -4.294 -17.790   2.983
    3    H3   GLY   1           H3       GLY   1  -2.984 -17.163   3.265
    4    HA2  GLY   1           HA2      GLY   1  -2.309 -17.573   1.109
    5    HA3  GLY   1           HA3      GLY   1  -3.952 -18.112   0.794
    6    H    LEU   2           H        LEU   2  -5.543 -16.091   0.816
    7    HA   LEU   2           HA       LEU   2  -4.827 -14.553  -1.457
    8    HB2  LEU   2           HB2      LEU   2  -7.121 -15.149  -1.074
    9    HB3  LEU   2           HB3      LEU   2  -7.121 -14.320   0.482
   10    HG   LEU   2           HG       LEU   2  -6.448 -12.504  -1.662
   11   HD11  LEU   2          HD11      LEU   2  -8.968 -12.581  -2.425
   12   HD12  LEU   2          HD12      LEU   2  -8.798 -14.290  -2.022
   13   HD13  LEU   2          HD13      LEU   2  -7.736 -13.557  -3.225
   14   HD21  LEU   2          HD21      LEU   2  -7.309 -12.092   0.716
   15   HD22  LEU   2          HD22      LEU   2  -8.902 -12.476   0.064
   16   HD23  LEU   2          HD23      LEU   2  -7.986 -11.115  -0.586
   17    H    PHE   3           H        PHE   3  -5.726 -13.409   1.803
   18    HA   PHE   3           HA       PHE   3  -4.838 -10.797   1.494
   19    HB2  PHE   3           HB2      PHE   3  -6.048 -12.208   3.502
   20    HB3  PHE   3           HB3      PHE   3  -4.459 -11.901   4.193
   21    HD1  PHE   3           HD1      PHE   3  -3.650  -9.538   4.380
   22    HD2  PHE   3           HD2      PHE   3  -7.667 -10.513   3.362
   23    HE1  PHE   3           HE1      PHE   3  -4.353  -7.259   4.986
   24    HE2  PHE   3           HE2      PHE   3  -8.376  -8.236   3.965
   25    HZ   PHE   3           HZ       PHE   3  -6.718  -6.606   4.779
   26    H    GLY   4           H        GLY   4  -3.049 -13.704   2.151
   27    HA2  GLY   4           HA2      GLY   4  -0.726 -12.755   3.302
   28    HA3  GLY   4           HA3      GLY   4  -0.786 -14.103   2.176
   29    H    VAL   5           H        VAL   5  -1.793 -12.431  -0.017
   30    HA   VAL   5           HA       VAL   5   0.780 -11.267  -0.786
   31    HB   VAL   5           HB       VAL   5  -1.637 -11.919  -2.479
   32   HG11  VAL   5          HG11      VAL   5  -0.580 -10.203  -3.632
   33   HG12  VAL   5          HG12      VAL   5   1.029 -10.715  -3.120
   34   HG13  VAL   5          HG13      VAL   5   0.147 -11.651  -4.326
   35   HG21  VAL   5          HG21      VAL   5  -0.359 -13.852  -1.488
   36   HG22  VAL   5          HG22      VAL   5  -0.445 -13.823  -3.249
   37   HG23  VAL   5          HG23      VAL   5   1.031 -13.313  -2.430
   38    H    LEU   6           H        LEU   6  -2.453 -10.383   0.024
   39    HA   LEU   6           HA       LEU   6  -2.795  -7.980  -1.302
   40    HB2  LEU   6           HB2      LEU   6  -3.766  -9.127   1.248
   41    HB3  LEU   6           HB3      LEU   6  -3.954  -7.388   1.036
   42    HG   LEU   6           HG       LEU   6  -5.063  -9.506  -0.806
   43   HD11  LEU   6          HD11      LEU   6  -6.520  -9.709   0.908
   44   HD12  LEU   6          HD12      LEU   6  -7.209  -8.254   0.189
   45   HD13  LEU   6          HD13      LEU   6  -6.129  -8.125   1.576
   46   HD21  LEU   6          HD21      LEU   6  -4.947  -6.538  -0.903
   47   HD22  LEU   6          HD22      LEU   6  -6.416  -7.334  -1.467
   48   HD23  LEU   6          HD23      LEU   6  -4.862  -7.719  -2.210
   49    H    ALA   7           H        ALA   7  -0.704  -8.754   1.359
   50    HA   ALA   7           HA       ALA   7  -0.239  -6.198   2.401
   51    HB1  ALA   7           HB1      ALA   7   0.966  -8.817   2.604
   52    HB2  ALA   7           HB2      ALA   7   2.184  -7.541   2.618
   53    HB3  ALA   7           HB3      ALA   7   0.874  -7.522   3.798
   54    H    LYS   8           H        LYS   8   0.853  -7.703  -0.526
   55    HA   LYS   8           HA       LYS   8   3.117  -6.105  -1.043
   56    HB2  LYS   8           HB2      LYS   8   1.935  -8.244  -2.268
   57    HB3  LYS   8           HB3      LYS   8   1.555  -6.945  -3.391
   58    HG2  LYS   8           HG2      LYS   8   4.177  -6.469  -2.954
   59    HG3  LYS   8           HG3      LYS   8   4.126  -8.224  -2.774
   60    HD2  LYS   8           HD2      LYS   8   4.541  -7.879  -5.055
   61    HD3  LYS   8           HD3      LYS   8   2.814  -8.230  -4.970
   62    HE2  LYS   8           HE2      LYS   8   2.327  -5.832  -5.051
   63    HE3  LYS   8           HE3      LYS   8   4.053  -5.482  -5.130
   64    HZ1  LYS   8           HZ1      LYS   8   4.190  -6.167  -7.277
   65    HZ2  LYS   8           HZ2      LYS   8   2.584  -5.639  -7.284
   66    HZ3  LYS   8           HZ3      LYS   8   2.931  -7.288  -7.139
   67    H    VAL   9           H        VAL   9  -0.192  -5.356  -1.023
   68    HA   VAL   9           HA       VAL   9   0.383  -2.748  -2.233
   69    HB   VAL   9           HB       VAL   9  -0.706  -4.152  -3.963
   70   HG11  VAL   9          HG11      VAL   9  -2.375  -4.886  -1.777
   71   HG12  VAL   9          HG12      VAL   9  -3.376  -4.140  -3.024
   72   HG13  VAL   9          HG13      VAL   9  -2.361  -5.527  -3.420
   73   HG21  VAL   9          HG21      VAL   9  -1.999  -2.437  -4.761
   74   HG22  VAL   9          HG22      VAL   9  -2.746  -2.122  -3.195
   75   HG23  VAL   9          HG23      VAL   9  -1.095  -1.585  -3.508
   76    H    ALA  10           H        ALA  10   0.348  -3.071   0.433
   77    HA   ALA  10           HA       ALA  10  -1.714  -1.316   1.263
   78    HB1  ALA  10           HB1      ALA  10  -2.169  -3.580   2.955
   79    HB2  ALA  10           HB2      ALA  10  -3.320  -2.669   1.978
   80    HB3  ALA  10           HB3      ALA  10  -2.446  -4.028   1.272
   81    HB2  I4G  11           HB2      I4G  11  -0.483   0.163   1.148
   82    HB3  I4G  11           HB3      I4G  11   0.488   1.183   1.975
   83    HG   I4G  11           HG       I4G  11  -2.091   1.693   1.846
   84   HD13  I4G  11          HD13      I4G  11  -1.866  -0.273   4.195
   85   HD11  I4G  11          HD11      I4G  11  -3.279   0.738   3.840
   86   HD12  I4G  11          HD12      I4G  11  -2.797  -0.536   2.714
   87   HD23  I4G  11          HD23      I4G  11  -0.451   3.082   3.100
   88   HD22  I4G  11          HD22      I4G  11  -0.490   1.933   4.447
   89   HD21  I4G  11          HD21      I4G  11  -1.939   2.866   4.033
   90    HA2  I4G  11           HA2      I4G  11   1.564  -1.058   4.288
   91    HA3  I4G  11           HA3      I4G  11   0.796   0.355   4.571
   92    H    HIS  12           H        HIS  12   2.266  -0.561   1.630
   93    HA   HIS  12           HA       HIS  12   4.265   1.572   2.007
   94    HB2  HIS  12           HB2      HIS  12   5.508   0.176   0.169
   95    HB3  HIS  12           HB3      HIS  12   5.586  -0.324   1.856
   96    HD1  HIS  12           HD1      HIS  12   5.583  -2.797   1.834
   97    HD2  HIS  12           HD2      HIS  12   2.826  -1.223  -0.846
   98    HE1  HIS  12           HE1      HIS  12   4.360  -4.779   0.887
   99    H    VAL  13           H        VAL  13   1.554   0.625   0.294
  100    HA   VAL  13           HA       VAL  13   2.044   1.482  -2.313
  101    HB   VAL  13           HB       VAL  13  -0.552   1.732  -0.791
  102   HG11  VAL  13          HG11      VAL  13   0.137   2.607  -3.357
  103   HG12  VAL  13          HG12      VAL  13  -0.791   1.124  -3.591
  104   HG13  VAL  13          HG13      VAL  13  -1.481   2.463  -2.672
  105   HG21  VAL  13          HG21      VAL  13   0.521  -0.556  -2.438
  106   HG22  VAL  13          HG22      VAL  13   0.322  -0.541  -0.685
  107   HG23  VAL  13          HG23      VAL  13  -1.094  -0.465  -1.734
  108    H    VAL  14           H        VAL  14   0.712   3.324   0.430
  109    HA   VAL  14           HA       VAL  14   0.325   5.760  -0.805
  110    HB   VAL  14           HB       VAL  14   1.289   5.285   2.019
  111   HG11  VAL  14          HG11      VAL  14   0.174   7.715   0.649
  112   HG12  VAL  14          HG12      VAL  14   0.096   7.505   2.399
  113   HG13  VAL  14          HG13      VAL  14   1.660   7.564   1.586
  114   HG21  VAL  14          HG21      VAL  14  -0.956   5.168   2.678
  115   HG22  VAL  14          HG22      VAL  14  -1.535   5.813   1.143
  116   HG23  VAL  14          HG23      VAL  14  -0.876   4.178   1.221
  117    H    GLY  15           H        GLY  15   3.308   4.369   0.457
  118    HA2  GLY  15           HA2      GLY  15   4.931   6.652   0.322
  119    HA3  GLY  15           HA3      GLY  15   5.503   4.994   0.211
  120    H    ALA  16           H        ALA  16   3.762   4.553  -2.189
  121    HA   ALA  16           HA       ALA  16   5.649   5.656  -4.129
  122    HB1  ALA  16           HB1      ALA  16   3.664   3.892  -5.256
  123    HB2  ALA  16           HB2      ALA  16   5.420   3.726  -5.208
  124    HB3  ALA  16           HB3      ALA  16   4.443   3.161  -3.852
  125    H    ILE  17           H        ILE  17   2.131   5.355  -3.669
  126    HA   ILE  17           HA       ILE  17   1.311   6.814  -5.890
  127    HB   ILE  17           HB       ILE  17  -0.029   6.666  -3.188
  128   HG12  ILE  17          HG12      ILE  17  -0.381   4.991  -5.683
  129   HG13  ILE  17          HG13      ILE  17   0.367   4.460  -4.180
  130   HG21  ILE  17          HG21      ILE  17  -0.894   8.511  -4.513
  131   HG22  ILE  17          HG22      ILE  17  -1.143   7.430  -5.883
  132   HG23  ILE  17          HG23      ILE  17  -2.085   7.216  -4.408
  133   HD11  ILE  17          HD11      ILE  17  -2.510   5.265  -4.540
  134   HD12  ILE  17          HD12      ILE  17  -1.896   3.621  -4.368
  135   HD13  ILE  17          HD13      ILE  17  -1.766   4.755  -3.025
  136    H    ALA  18           H        ALA  18   2.377   7.906  -2.723
  137    HA   ALA  18           HA       ALA  18   1.635  10.638  -3.112
  138    HB1  ALA  18           HB1      ALA  18   3.728   9.675  -1.187
  139    HB2  ALA  18           HB2      ALA  18   2.658  11.070  -1.046
  140    HB3  ALA  18           HB3      ALA  18   2.004   9.439  -0.894
  141    H    GLU  19           H        GLU  19   4.134   8.721  -4.327
  142    HA   GLU  19           HA       GLU  19   6.178  10.714  -4.482
  143    HB2  GLU  19           HB2      GLU  19   6.330   8.093  -4.644
  144    HB3  GLU  19           HB3      GLU  19   6.059   8.387  -6.357
  145    HG2  GLU  19           HG2      GLU  19   8.385   8.270  -6.085
  146    HG3  GLU  19           HG3      GLU  19   8.011   9.983  -6.265
  147    H    HIS  20           H        HIS  20   3.914   9.325  -6.850
  148    HA   HIS  20           HA       HIS  20   4.680  11.195  -8.892
  149    HB2  HIS  20           HB2      HIS  20   3.297  10.004 -10.309
  150    HB3  HIS  20           HB3      HIS  20   3.684   8.772  -9.113
  151    HD1  HIS  20           HD1      HIS  20   0.879  10.816 -10.439
  152    HD2  HIS  20           HD2      HIS  20   1.548   8.064  -7.400
  153    HE1  HIS  20           HE1      HIS  20  -1.404  10.141  -9.630
  154    H    PHE  21           H        PHE  21   2.363  11.104  -6.340
  155    HA   PHE  21           HA       PHE  21   1.113  13.557  -7.390
  156    HB2  PHE  21           HB2      PHE  21  -0.175  11.218  -6.787
  157    HB3  PHE  21           HB3      PHE  21  -0.345  12.118  -5.282
  158    HD1  PHE  21           HD2      PHE  21  -0.636  14.863  -6.201
  159    HD2  PHE  21           HD1      PHE  21  -2.243  11.264  -7.807
  160    HE1  PHE  21           HE2      PHE  21  -2.505  16.135  -7.172
  161    HE2  PHE  21           HE1      PHE  21  -4.114  12.531  -8.782
  162    HZ   PHE  21           HZ       PHE  21  -4.248  14.969  -8.464
  163    HN1  NH2  22           HN1      NH2  22   3.704  13.540  -5.960
  164    HN2  NH2  22           HN2      NH2  22   3.461  14.358  -4.385
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  -5.280 -17.828   0.960
    2    H2   GLY   1           H2       GLY   1  -4.163 -19.013   1.080
    3    H3   GLY   1           H3       GLY   1  -4.907 -18.471   2.239
    4    HA2  GLY   1           HA2      GLY   1  -3.358 -16.814   2.606
    5    HA3  GLY   1           HA3      GLY   1  -2.466 -17.575   1.297
    6    H    LEU   2           H        LEU   2  -5.615 -15.991   1.074
    7    HA   LEU   2           HA       LEU   2  -4.888 -14.507  -1.211
    8    HB2  LEU   2           HB2      LEU   2  -7.222 -15.199  -0.228
    9    HB3  LEU   2           HB3      LEU   2  -7.116 -13.630   0.566
   10    HG   LEU   2           HG       LEU   2  -8.430 -13.517  -1.490
   11   HD11  LEU   2          HD11      LEU   2  -5.789 -12.096  -1.787
   12   HD12  LEU   2          HD12      LEU   2  -7.103 -11.574  -0.732
   13   HD13  LEU   2          HD13      LEU   2  -7.337 -11.614  -2.480
   14   HD21  LEU   2          HD21      LEU   2  -7.515 -13.957  -3.637
   15   HD22  LEU   2          HD22      LEU   2  -7.177 -15.371  -2.636
   16   HD23  LEU   2          HD23      LEU   2  -5.900 -14.201  -2.971
   17    H    PHE   3           H        PHE   3  -5.735 -13.267   2.028
   18    HA   PHE   3           HA       PHE   3  -4.836 -10.664   1.611
   19    HB2  PHE   3           HB2      PHE   3  -5.978 -12.090   3.720
   20    HB3  PHE   3           HB3      PHE   3  -4.439 -11.520   4.356
   21    HD1  PHE   3           HD1      PHE   3  -3.969  -9.121   4.505
   22    HD2  PHE   3           HD2      PHE   3  -7.757 -10.579   3.225
   23    HE1  PHE   3           HE1      PHE   3  -4.951  -6.899   4.891
   24    HE2  PHE   3           HE2      PHE   3  -8.745  -8.358   3.608
   25    HZ   PHE   3           HZ       PHE   3  -7.342  -6.515   4.441
   26    H    GLY   4           H        GLY   4  -3.084 -13.565   2.392
   27    HA2  GLY   4           HA2      GLY   4  -0.756 -12.598   3.514
   28    HA3  GLY   4           HA3      GLY   4  -0.826 -13.989   2.444
   29    H    VAL   5           H        VAL   5  -1.801 -12.400   0.178
   30    HA   VAL   5           HA       VAL   5   0.788 -11.293  -0.622
   31    HB   VAL   5           HB       VAL   5  -1.624 -11.993  -2.302
   32   HG11  VAL   5          HG11      VAL   5   1.072 -10.875  -2.988
   33   HG12  VAL   5          HG12      VAL   5   0.137 -11.805  -4.160
   34   HG13  VAL   5          HG13      VAL   5  -0.522 -10.312  -3.490
   35   HG21  VAL   5          HG21      VAL   5  -0.858 -14.073  -1.868
   36   HG22  VAL   5          HG22      VAL   5   0.326 -13.667  -3.111
   37   HG23  VAL   5          HG23      VAL   5   0.745 -13.502  -1.405
   38    H    LEU   6           H        LEU   6  -2.438 -10.344   0.134
   39    HA   LEU   6           HA       LEU   6  -2.750  -7.996  -1.294
   40    HB2  LEU   6           HB2      LEU   6  -3.741  -9.020   1.303
   41    HB3  LEU   6           HB3      LEU   6  -3.918  -7.292   1.004
   42    HG   LEU   6           HG       LEU   6  -5.006  -9.462  -0.788
   43   HD11  LEU   6          HD11      LEU   6  -7.118  -8.075   0.328
   44   HD12  LEU   6          HD12      LEU   6  -6.012  -8.319   1.680
   45   HD13  LEU   6          HD13      LEU   6  -6.592  -9.703   0.755
   46   HD21  LEU   6          HD21      LEU   6  -5.332  -6.466  -0.759
   47   HD22  LEU   6          HD22      LEU   6  -6.325  -7.564  -1.719
   48   HD23  LEU   6          HD23      LEU   6  -4.590  -7.452  -2.020
   49    H    ALA   7           H        ALA   7  -0.676  -8.679   1.405
   50    HA   ALA   7           HA       ALA   7  -0.191  -6.098   2.357
   51    HB1  ALA   7           HB1      ALA   7   0.549  -8.245   3.415
   52    HB2  ALA   7           HB2      ALA   7   1.847  -8.309   2.222
   53    HB3  ALA   7           HB3      ALA   7   1.775  -6.976   3.374
   54    H    LYS   8           H        LYS   8   0.951  -7.730  -0.498
   55    HA   LYS   8           HA       LYS   8   3.193  -6.156  -1.088
   56    HB2  LYS   8           HB2      LYS   8   2.016  -8.309  -2.247
   57    HB3  LYS   8           HB3      LYS   8   1.553  -7.046  -3.379
   58    HG2  LYS   8           HG2      LYS   8   3.957  -6.417  -3.553
   59    HG3  LYS   8           HG3      LYS   8   4.343  -7.828  -2.565
   60    HD2  LYS   8           HD2      LYS   8   4.000  -9.264  -4.266
   61    HD3  LYS   8           HD3      LYS   8   2.597  -8.374  -4.864
   62    HE2  LYS   8           HE2      LYS   8   3.833  -7.128  -6.290
   63    HE3  LYS   8           HE3      LYS   8   5.208  -7.041  -5.191
   64    HZ1  LYS   8           HZ1      LYS   8   6.174  -8.521  -6.512
   65    HZ2  LYS   8           HZ2      LYS   8   4.745  -8.824  -7.366
   66    HZ3  LYS   8           HZ3      LYS   8   5.072  -9.671  -5.939
   67    H    VAL   9           H        VAL   9  -0.147  -5.415  -1.172
   68    HA   VAL   9           HA       VAL   9   0.472  -2.820  -2.407
   69    HB   VAL   9           HB       VAL   9  -0.679  -4.317  -4.054
   70   HG11  VAL   9          HG11      VAL   9  -2.501  -5.469  -3.516
   71   HG12  VAL   9          HG12      VAL   9  -2.320  -4.894  -1.857
   72   HG13  VAL   9          HG13      VAL   9  -3.329  -4.001  -2.996
   73   HG21  VAL   9          HG21      VAL   9  -0.870  -1.716  -3.811
   74   HG22  VAL   9          HG22      VAL   9  -1.884  -2.582  -4.965
   75   HG23  VAL   9          HG23      VAL   9  -2.548  -2.085  -3.409
   76    H    ALA  10           H        ALA  10   0.342  -3.370   0.341
   77    HA   ALA  10           HA       ALA  10  -1.666  -1.470   1.129
   78    HB1  ALA  10           HB1      ALA  10  -1.899  -4.341   2.007
   79    HB2  ALA  10           HB2      ALA  10  -2.693  -2.999   2.833
   80    HB3  ALA  10           HB3      ALA  10  -3.100  -3.368   1.157
   81    HB2  I4G  11           HB2      I4G  11  -0.397  -0.023   0.906
   82    HB3  I4G  11           HB3      I4G  11   0.634   1.006   1.644
   83    HG   I4G  11           HG       I4G  11  -1.910   1.626   1.558
   84   HD13  I4G  11          HD13      I4G  11  -1.739  -0.260   3.976
   85   HD11  I4G  11          HD11      I4G  11  -3.108   0.804   3.604
   86   HD12  I4G  11          HD12      I4G  11  -2.706  -0.532   2.521
   87   HD23  I4G  11          HD23      I4G  11  -0.186   2.981   2.733
   88   HD22  I4G  11          HD22      I4G  11  -0.255   1.886   4.123
   89   HD21  I4G  11          HD21      I4G  11  -1.666   2.871   3.695
   90    HA2  I4G  11           HA2      I4G  11   1.734  -1.133   4.018
   91    HA3  I4G  11           HA3      I4G  11   0.928   0.251   4.340
   92    H    HIS  12           H        HIS  12   2.471  -0.716   1.429
   93    HA   HIS  12           HA       HIS  12   4.408   1.476   1.755
   94    HB2  HIS  12           HB2      HIS  12   5.961   0.264   0.543
   95    HB3  HIS  12           HB3      HIS  12   5.093  -1.030   1.363
   96    HD1  HIS  12           HD1      HIS  12   6.551  -0.637  -1.684
   97    HD2  HIS  12           HD2      HIS  12   2.638  -1.551  -0.625
   98    HE1  HIS  12           HE1      HIS  12   5.559  -1.777  -3.695
   99    H    VAL  13           H        VAL  13   1.676   0.468   0.009
  100    HA   VAL  13           HA       VAL  13   2.015   1.500  -2.524
  101    HB   VAL  13           HB       VAL  13  -0.488   1.624  -0.835
  102   HG11  VAL  13          HG11      VAL  13  -0.665   3.127  -2.719
  103   HG12  VAL  13          HG12      VAL  13  -0.114   1.862  -3.820
  104   HG13  VAL  13          HG13      VAL  13  -1.670   1.706  -3.001
  105   HG21  VAL  13          HG21      VAL  13   0.463  -0.451  -2.808
  106   HG22  VAL  13          HG22      VAL  13   0.394  -0.639  -1.057
  107   HG23  VAL  13          HG23      VAL  13  -1.095  -0.453  -1.983
  108    H    VAL  14           H        VAL  14   0.610   3.244   0.256
  109    HA   VAL  14           HA       VAL  14   0.321   5.728  -0.898
  110    HB   VAL  14           HB       VAL  14   1.114   5.126   1.954
  111   HG11  VAL  14          HG11      VAL  14  -0.150   7.371   2.281
  112   HG12  VAL  14          HG12      VAL  14   1.537   7.392   1.763
  113   HG13  VAL  14          HG13      VAL  14   0.248   7.638   0.584
  114   HG21  VAL  14          HG21      VAL  14  -1.030   4.118   0.953
  115   HG22  VAL  14          HG22      VAL  14  -1.157   4.999   2.476
  116   HG23  VAL  14          HG23      VAL  14  -1.643   5.772   0.969
  117    H    GLY  15           H        GLY  15   3.231   4.174   0.258
  118    HA2  GLY  15           HA2      GLY  15   4.897   6.439   0.425
  119    HA3  GLY  15           HA3      GLY  15   5.440   4.788   0.169
  120    H    ALA  16           H        ALA  16   3.897   4.481  -2.302
  121    HA   ALA  16           HA       ALA  16   5.770   5.864  -4.068
  122    HB1  ALA  16           HB1      ALA  16   5.106   3.295  -4.058
  123    HB2  ALA  16           HB2      ALA  16   3.836   3.884  -5.132
  124    HB3  ALA  16           HB3      ALA  16   5.531   4.148  -5.541
  125    H    ILE  17           H        ILE  17   2.283   5.371  -3.651
  126    HA   ILE  17           HA       ILE  17   1.379   6.829  -5.840
  127    HB   ILE  17           HB       ILE  17   0.066   6.607  -3.129
  128   HG12  ILE  17          HG12      ILE  17   0.539   4.411  -4.064
  129   HG13  ILE  17          HG13      ILE  17  -1.188   4.737  -4.165
  130   HG21  ILE  17          HG21      ILE  17  -0.858   7.625  -5.776
  131   HG22  ILE  17          HG22      ILE  17  -2.009   6.829  -4.703
  132   HG23  ILE  17          HG23      ILE  17  -1.146   8.268  -4.160
  133   HD11  ILE  17          HD11      ILE  17  -0.964   4.022  -6.268
  134   HD12  ILE  17          HD12      ILE  17  -0.333   5.640  -6.575
  135   HD13  ILE  17          HD13      ILE  17   0.777   4.301  -6.284
  136    H    ALA  18           H        ALA  18   2.394   7.914  -2.650
  137    HA   ALA  18           HA       ALA  18   1.557  10.623  -3.016
  138    HB1  ALA  18           HB1      ALA  18   1.835   9.561  -0.795
  139    HB2  ALA  18           HB2      ALA  18   3.579   9.547  -1.057
  140    HB3  ALA  18           HB3      ALA  18   2.715  11.080  -0.957
  141    H    GLU  19           H        GLU  19   4.099   8.823  -4.275
  142    HA   GLU  19           HA       GLU  19   6.085  10.890  -4.361
  143    HB2  GLU  19           HB2      GLU  19   6.338   8.277  -4.545
  144    HB3  GLU  19           HB3      GLU  19   6.081   8.578  -6.258
  145    HG2  GLU  19           HG2      GLU  19   8.035  10.395  -5.167
  146    HG3  GLU  19           HG3      GLU  19   8.480   8.715  -4.868
  147    H    HIS  20           H        HIS  20   3.901   9.436  -6.765
  148    HA   HIS  20           HA       HIS  20   4.621  11.341  -8.790
  149    HB2  HIS  20           HB2      HIS  20   3.282  10.119 -10.223
  150    HB3  HIS  20           HB3      HIS  20   3.696   8.892  -9.029
  151    HD1  HIS  20           HD1      HIS  20   0.841  10.846 -10.375
  152    HD2  HIS  20           HD2      HIS  20   1.571   8.126  -7.321
  153    HE1  HIS  20           HE1      HIS  20  -1.427  10.102  -9.580
  154    H    PHE  21           H        PHE  21   2.284  11.166  -6.257
  155    HA   PHE  21           HA       PHE  21   0.993  13.606  -7.291
  156    HB2  PHE  21           HB2      PHE  21  -0.232  11.194  -6.702
  157    HB3  PHE  21           HB3      PHE  21  -0.528  12.161  -5.262
  158    HD1  PHE  21           HD2      PHE  21  -0.655  12.508  -8.975
  159    HD2  PHE  21           HD1      PHE  21  -2.420  13.453  -5.219
  160    HE1  PHE  21           HE2      PHE  21  -2.495  13.659 -10.132
  161    HE2  PHE  21           HE1      PHE  21  -4.264  14.605  -6.371
  162    HZ   PHE  21           HZ       PHE  21  -4.302  14.711  -8.831
  163    HN1  NH2  22           HN1      NH2  22   3.551  13.555  -5.763
  164    HN2  NH2  22           HN2      NH2  22   3.246  14.346  -4.186
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -3.716 -16.803   3.313
    2    H2   GLY   1           H2       GLY   1  -2.262 -17.477   3.000
    3    H3   GLY   1           H3       GLY   1  -2.563 -16.046   2.776
    4    HA2  GLY   1           HA2      GLY   1  -2.693 -17.875   0.819
    5    HA3  GLY   1           HA3      GLY   1  -4.358 -17.851   1.380
    6    H    LEU   2           H        LEU   2  -5.590 -15.929   1.137
    7    HA   LEU   2           HA       LEU   2  -4.965 -14.499  -1.263
    8    HB2  LEU   2           HB2      LEU   2  -7.266 -15.209  -0.448
    9    HB3  LEU   2           HB3      LEU   2  -7.171 -13.855   0.675
   10    HG   LEU   2           HG       LEU   2  -6.768 -13.309  -2.224
   11   HD11  LEU   2          HD11      LEU   2  -8.699 -14.735  -2.297
   12   HD12  LEU   2          HD12      LEU   2  -9.219 -13.062  -2.497
   13   HD13  LEU   2          HD13      LEU   2  -9.439 -13.873  -0.948
   14   HD21  LEU   2          HD21      LEU   2  -6.967 -11.213  -1.523
   15   HD22  LEU   2          HD22      LEU   2  -7.044 -11.814   0.134
   16   HD23  LEU   2          HD23      LEU   2  -8.530 -11.561  -0.783
   17    H    PHE   3           H        PHE   3  -5.833 -13.245   1.961
   18    HA   PHE   3           HA       PHE   3  -4.901 -10.661   1.565
   19    HB2  PHE   3           HB2      PHE   3  -6.118 -12.015   3.631
   20    HB3  PHE   3           HB3      PHE   3  -4.539 -11.630   4.307
   21    HD1  PHE   3           HD1      PHE   3  -3.819  -9.281   4.508
   22    HD2  PHE   3           HD2      PHE   3  -7.749 -10.332   3.254
   23    HE1  PHE   3           HE1      PHE   3  -4.582  -6.991   4.990
   24    HE2  PHE   3           HE2      PHE   3  -8.517  -8.045   3.732
   25    HZ   PHE   3           HZ       PHE   3  -6.933  -6.371   4.600
   26    H    GLY   4           H        GLY   4  -3.161 -13.572   2.340
   27    HA2  GLY   4           HA2      GLY   4  -0.831 -12.618   3.468
   28    HA3  GLY   4           HA3      GLY   4  -0.906 -14.006   2.393
   29    H    VAL   5           H        VAL   5  -1.872 -12.407   0.131
   30    HA   VAL   5           HA       VAL   5   0.723 -11.309  -0.664
   31    HB   VAL   5           HB       VAL   5  -1.692 -11.993  -2.347
   32   HG11  VAL   5          HG11      VAL   5   0.210 -11.849  -4.153
   33   HG12  VAL   5          HG12      VAL   5  -0.653 -10.400  -3.632
   34   HG13  VAL   5          HG13      VAL   5   0.946 -10.760  -2.979
   35   HG21  VAL   5          HG21      VAL   5   0.029 -13.750  -3.195
   36   HG22  VAL   5          HG22      VAL   5   0.813 -13.468  -1.639
   37   HG23  VAL   5          HG23      VAL   5  -0.852 -14.049  -1.696
   38    H    LEU   6           H        LEU   6  -2.500 -10.347   0.091
   39    HA   LEU   6           HA       LEU   6  -2.801  -7.994  -1.330
   40    HB2  LEU   6           HB2      LEU   6  -3.799  -9.022   1.262
   41    HB3  LEU   6           HB3      LEU   6  -3.967  -7.292   0.970
   42    HG   LEU   6           HG       LEU   6  -5.061  -9.447  -0.836
   43   HD11  LEU   6          HD11      LEU   6  -6.139  -8.142   1.579
   44   HD12  LEU   6          HD12      LEU   6  -6.518  -9.709   0.866
   45   HD13  LEU   6          HD13      LEU   6  -7.228  -8.241   0.196
   46   HD21  LEU   6          HD21      LEU   6  -6.403  -7.003  -1.145
   47   HD22  LEU   6          HD22      LEU   6  -5.321  -7.793  -2.292
   48   HD23  LEU   6          HD23      LEU   6  -4.681  -6.619  -1.141
   49    H    ALA   7           H        ALA   7  -0.732  -8.693   1.369
   50    HA   ALA   7           HA       ALA   7  -0.236  -6.117   2.328
   51    HB1  ALA   7           HB1      ALA   7   1.673  -7.005   3.390
   52    HB2  ALA   7           HB2      ALA   7   0.501  -8.323   3.333
   53    HB3  ALA   7           HB3      ALA   7   1.842  -8.285   2.187
   54    H    LYS   8           H        LYS   8   0.902  -7.747  -0.531
   55    HA   LYS   8           HA       LYS   8   3.150  -6.179  -1.115
   56    HB2  LYS   8           HB2      LYS   8   1.967  -8.325  -2.279
   57    HB3  LYS   8           HB3      LYS   8   1.509  -7.058  -3.410
   58    HG2  LYS   8           HG2      LYS   8   4.079  -6.467  -3.229
   59    HG3  LYS   8           HG3      LYS   8   4.186  -8.172  -2.783
   60    HD2  LYS   8           HD2      LYS   8   2.982  -8.765  -4.848
   61    HD3  LYS   8           HD3      LYS   8   2.936  -7.058  -5.296
   62    HE2  LYS   8           HE2      LYS   8   4.748  -8.231  -6.440
   63    HE3  LYS   8           HE3      LYS   8   5.372  -6.995  -5.350
   64    HZ1  LYS   8           HZ1      LYS   8   6.205  -8.549  -3.916
   65    HZ2  LYS   8           HZ2      LYS   8   6.404  -9.368  -5.382
   66    HZ3  LYS   8           HZ3      LYS   8   5.103  -9.750  -4.371
   67    H    VAL   9           H        VAL   9  -0.188  -5.427  -1.199
   68    HA   VAL   9           HA       VAL   9   0.440  -2.831  -2.426
   69    HB   VAL   9           HB       VAL   9  -0.712  -4.320  -4.081
   70   HG11  VAL   9          HG11      VAL   9  -2.538  -5.468  -3.549
   71   HG12  VAL   9          HG12      VAL   9  -2.359  -4.899  -1.888
   72   HG13  VAL   9          HG13      VAL   9  -3.363  -3.999  -3.025
   73   HG21  VAL   9          HG21      VAL   9  -1.910  -2.581  -4.988
   74   HG22  VAL   9          HG22      VAL   9  -2.577  -2.084  -3.432
   75   HG23  VAL   9          HG23      VAL   9  -0.898  -1.717  -3.828
   76    H    ALA  10           H        ALA  10   0.303  -3.388   0.320
   77    HA   ALA  10           HA       ALA  10  -1.701  -1.485   1.109
   78    HB1  ALA  10           HB1      ALA  10  -1.973  -4.375   1.875
   79    HB2  ALA  10           HB2      ALA  10  -2.662  -3.078   2.854
   80    HB3  ALA  10           HB3      ALA  10  -3.186  -3.296   1.183
   81    HB2  I4G  11           HB2      I4G  11  -0.425  -0.041   0.893
   82    HB3  I4G  11           HB3      I4G  11   0.608   0.983   1.637
   83    HG   I4G  11           HG       I4G  11  -1.934   1.611   1.547
   84   HD13  I4G  11          HD13      I4G  11  -1.775  -0.282   3.960
   85   HD11  I4G  11          HD11      I4G  11  -3.140   0.787   3.588
   86   HD12  I4G  11          HD12      I4G  11  -2.740  -0.548   2.502
   87   HD23  I4G  11          HD23      I4G  11  -0.209   2.957   2.730
   88   HD22  I4G  11          HD22      I4G  11  -0.285   1.859   4.116
   89   HD21  I4G  11          HD21      I4G  11  -1.692   2.850   3.689
   90    HA2  I4G  11           HA2      I4G  11   1.695  -1.167   4.006
   91    HA3  I4G  11           HA3      I4G  11   0.892   0.217   4.331
   92    H    HIS  12           H        HIS  12   2.439  -0.746   1.420
   93    HA   HIS  12           HA       HIS  12   4.382   1.438   1.756
   94    HB2  HIS  12           HB2      HIS  12   5.933   0.224   0.546
   95    HB3  HIS  12           HB3      HIS  12   5.059  -1.070   1.360
   96    HD1  HIS  12           HD1      HIS  12   6.526  -0.675  -1.682
   97    HD2  HIS  12           HD2      HIS  12   2.607  -1.576  -0.637
   98    HE1  HIS  12           HE1      HIS  12   5.535  -1.805  -3.698
   99    H    VAL  13           H        VAL  13   1.652   0.445   0.002
  100    HA   VAL  13           HA       VAL  13   1.999   1.482  -2.527
  101    HB   VAL  13           HB       VAL  13  -0.505   1.612  -0.843
  102   HG11  VAL  13          HG11      VAL  13  -1.088   2.990  -2.563
  103   HG12  VAL  13          HG12      VAL  13   0.058   2.257  -3.687
  104   HG13  VAL  13          HG13      VAL  13  -1.457   1.435  -3.310
  105   HG21  VAL  13          HG21      VAL  13  -1.118  -0.454  -2.042
  106   HG22  VAL  13          HG22      VAL  13   0.475  -0.467  -2.799
  107   HG23  VAL  13          HG23      VAL  13   0.329  -0.654  -1.052
  108    H    VAL  14           H        VAL  14   0.596   3.224   0.255
  109    HA   VAL  14           HA       VAL  14   0.319   5.713  -0.895
  110    HB   VAL  14           HB       VAL  14   1.106   5.101   1.957
  111   HG11  VAL  14          HG11      VAL  14   1.468   7.336   1.970
  112   HG12  VAL  14          HG12      VAL  14   0.457   7.619   0.551
  113   HG13  VAL  14          HG13      VAL  14  -0.288   7.382   2.132
  114   HG21  VAL  14          HG21      VAL  14  -1.026   4.082   0.996
  115   HG22  VAL  14          HG22      VAL  14  -1.183   5.028   2.476
  116   HG23  VAL  14          HG23      VAL  14  -1.644   5.733   0.926
  117    H    GLY  15           H        GLY  15   3.220   4.145   0.263
  118    HA2  GLY  15           HA2      GLY  15   4.896   6.402   0.436
  119    HA3  GLY  15           HA3      GLY  15   5.432   4.750   0.177
  120    H    ALA  16           H        ALA  16   3.892   4.456  -2.298
  121    HA   ALA  16           HA       ALA  16   5.772   5.838  -4.056
  122    HB1  ALA  16           HB1      ALA  16   4.245   3.330  -4.181
  123    HB2  ALA  16           HB2      ALA  16   4.381   4.206  -5.705
  124    HB3  ALA  16           HB3      ALA  16   5.835   3.727  -4.831
  125    H    ILE  17           H        ILE  17   2.283   5.354  -3.646
  126    HA   ILE  17           HA       ILE  17   1.387   6.821  -5.832
  127    HB   ILE  17           HB       ILE  17   0.068   6.596  -3.124
  128   HG12  ILE  17          HG12      ILE  17   0.538   4.401  -4.064
  129   HG13  ILE  17          HG13      ILE  17  -1.188   4.731  -4.168
  130   HG21  ILE  17          HG21      ILE  17  -2.023   6.972  -4.432
  131   HG22  ILE  17          HG22      ILE  17  -0.948   8.367  -4.369
  132   HG23  ILE  17          HG23      ILE  17  -1.019   7.374  -5.824
  133   HD11  ILE  17          HD11      ILE  17  -0.980   4.045  -6.277
  134   HD12  ILE  17          HD12      ILE  17  -0.295   5.642  -6.574
  135   HD13  ILE  17          HD13      ILE  17   0.769   4.268  -6.278
  136    H    ALA  18           H        ALA  18   2.404   7.893  -2.638
  137    HA   ALA  18           HA       ALA  18   1.574  10.605  -2.995
  138    HB1  ALA  18           HB1      ALA  18   3.556   9.462  -1.031
  139    HB2  ALA  18           HB2      ALA  18   2.793  11.049  -0.943
  140    HB3  ALA  18           HB3      ALA  18   1.816   9.591  -0.773
  141    H    GLU  19           H        GLU  19   4.112   8.802  -4.257
  142    HA   GLU  19           HA       GLU  19   6.105  10.863  -4.332
  143    HB2  GLU  19           HB2      GLU  19   6.349   8.252  -4.525
  144    HB3  GLU  19           HB3      GLU  19   6.096   8.557  -6.238
  145    HG2  GLU  19           HG2      GLU  19   8.112   9.535  -6.507
  146    HG3  GLU  19           HG3      GLU  19   8.110  10.240  -4.891
  147    H    HIS  20           H        HIS  20   3.919   9.426  -6.744
  148    HA   HIS  20           HA       HIS  20   4.647  11.335  -8.761
  149    HB2  HIS  20           HB2      HIS  20   3.307  10.121 -10.200
  150    HB3  HIS  20           HB3      HIS  20   3.716   8.889  -9.011
  151    HD1  HIS  20           HD1      HIS  20   0.869  10.855 -10.355
  152    HD2  HIS  20           HD2      HIS  20   1.586   8.125  -7.307
  153    HE1  HIS  20           HE1      HIS  20  -1.402  10.116  -9.566
  154    H    PHE  21           H        PHE  21   2.312  11.163  -6.229
  155    HA   PHE  21           HA       PHE  21   1.027  13.607  -7.259
  156    HB2  PHE  21           HB2      PHE  21  -0.207  11.201  -6.681
  157    HB3  PHE  21           HB3      PHE  21  -0.491  12.155  -5.229
  158    HD1  PHE  21           HD1      PHE  21  -0.635  12.543  -8.938
  159    HD2  PHE  21           HD2      PHE  21  -2.381  13.448  -5.163
  160    HE1  PHE  21           HE1      PHE  21  -2.476  13.713 -10.075
  161    HE2  PHE  21           HE2      PHE  21  -4.227  14.619  -6.293
  162    HZ   PHE  21           HZ       PHE  21  -4.276  14.753  -8.752
  163    HN1  NH2  22           HN1      NH2  22   3.584  13.566  -5.745
  164    HN2  NH2  22           HN2      NH2  22   3.284  14.349  -4.163
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  -4.157 -19.085   1.148
    2    H2   GLY   1           H2       GLY   1  -3.731 -18.308  -0.224
    3    H3   GLY   1           H3       GLY   1  -2.764 -19.007   0.653
    4    HA2  GLY   1           HA2      GLY   1  -4.092 -17.183   2.324
    5    HA3  GLY   1           HA3      GLY   1  -2.393 -17.105   1.883
    6    H    LEU   2           H        LEU   2  -5.599 -15.960   1.182
    7    HA   LEU   2           HA       LEU   2  -4.961 -14.472  -1.147
    8    HB2  LEU   2           HB2      LEU   2  -7.181 -14.124   0.860
    9    HB3  LEU   2           HB3      LEU   2  -7.083 -13.284  -0.685
   10    HG   LEU   2           HG       LEU   2  -7.013 -16.244  -0.770
   11   HD11  LEU   2          HD11      LEU   2  -9.657 -15.943  -0.819
   12   HD12  LEU   2          HD12      LEU   2  -9.266 -14.677   0.345
   13   HD13  LEU   2          HD13      LEU   2  -8.775 -16.343   0.656
   14   HD21  LEU   2          HD21      LEU   2  -8.805 -15.436  -2.597
   15   HD22  LEU   2          HD22      LEU   2  -7.066 -15.478  -2.896
   16   HD23  LEU   2          HD23      LEU   2  -7.849 -13.962  -2.447
   17    H    PHE   3           H        PHE   3  -5.832 -13.194   2.067
   18    HA   PHE   3           HA       PHE   3  -4.890 -10.620   1.662
   19    HB2  PHE   3           HB2      PHE   3  -5.966 -12.099   3.814
   20    HB3  PHE   3           HB3      PHE   3  -4.474 -11.376   4.404
   21    HD1  PHE   3           HD1      PHE   3  -4.210  -8.946   4.464
   22    HD2  PHE   3           HD2      PHE   3  -7.868 -10.761   3.265
   23    HE1  PHE   3           HE1      PHE   3  -5.372  -6.800   4.772
   24    HE2  PHE   3           HE2      PHE   3  -9.036  -8.617   3.571
   25    HZ   PHE   3           HZ       PHE   3  -7.788  -6.633   4.324
   26    H    GLY   4           H        GLY   4  -3.153 -13.530   2.444
   27    HA2  GLY   4           HA2      GLY   4  -0.817 -12.574   3.562
   28    HA3  GLY   4           HA3      GLY   4  -0.897 -13.966   2.492
   29    H    VAL   5           H        VAL   5  -1.865 -12.377   0.225
   30    HA   VAL   5           HA       VAL   5   0.727 -11.283  -0.580
   31    HB   VAL   5           HB       VAL   5  -1.690 -11.976  -2.256
   32   HG11  VAL   5          HG11      VAL   5   0.939 -10.733  -2.892
   33   HG12  VAL   5          HG12      VAL   5   0.222 -11.843  -4.061
   34   HG13  VAL   5          HG13      VAL   5  -0.659 -10.400  -3.559
   35   HG21  VAL   5          HG21      VAL   5   0.825 -13.443  -1.564
   36   HG22  VAL   5          HG22      VAL   5  -0.840 -14.024  -1.575
   37   HG23  VAL   5          HG23      VAL   5   0.005 -13.745  -3.097
   38    H    LEU   6           H        LEU   6  -2.492 -10.318   0.179
   39    HA   LEU   6           HA       LEU   6  -2.798  -7.972  -1.254
   40    HB2  LEU   6           HB2      LEU   6  -3.786  -8.982   1.350
   41    HB3  LEU   6           HB3      LEU   6  -3.960  -7.255   1.041
   42    HG   LEU   6           HG       LEU   6  -5.051  -9.428  -0.745
   43   HD11  LEU   6          HD11      LEU   6  -7.153  -8.030   0.406
   44   HD12  LEU   6          HD12      LEU   6  -6.042  -8.333   1.740
   45   HD13  LEU   6          HD13      LEU   6  -6.651  -9.679   0.777
   46   HD21  LEU   6          HD21      LEU   6  -4.752  -7.509  -2.051
   47   HD22  LEU   6          HD22      LEU   6  -5.232  -6.431  -0.740
   48   HD23  LEU   6          HD23      LEU   6  -6.439  -7.437  -1.541
   49    H    ALA   7           H        ALA   7  -0.721  -8.656   1.442
   50    HA   ALA   7           HA       ALA   7  -0.223  -6.076   2.386
   51    HB1  ALA   7           HB1      ALA   7   1.192  -8.671   2.485
   52    HB2  ALA   7           HB2      ALA   7   2.150  -7.229   2.824
   53    HB3  ALA   7           HB3      ALA   7   0.718  -7.583   3.791
   54    H    LYS   8           H        LYS   8   0.907  -7.721  -0.467
   55    HA   LYS   8           HA       LYS   8   3.154  -6.158  -1.066
   56    HB2  LYS   8           HB2      LYS   8   1.966  -8.310  -2.215
   57    HB3  LYS   8           HB3      LYS   8   1.505  -7.048  -3.352
   58    HG2  LYS   8           HG2      LYS   8   4.213  -6.620  -2.875
   59    HG3  LYS   8           HG3      LYS   8   4.040  -8.373  -2.999
   60    HD2  LYS   8           HD2      LYS   8   2.535  -7.671  -5.083
   61    HD3  LYS   8           HD3      LYS   8   3.598  -6.263  -5.040
   62    HE2  LYS   8           HE2      LYS   8   4.891  -7.585  -6.347
   63    HE3  LYS   8           HE3      LYS   8   5.430  -8.196  -4.784
   64    HZ1  LYS   8           HZ1      LYS   8   4.237 -10.121  -5.020
   65    HZ2  LYS   8           HZ2      LYS   8   4.670  -9.831  -6.630
   66    HZ3  LYS   8           HZ3      LYS   8   3.114  -9.445  -6.090
   67    H    VAL   9           H        VAL   9  -0.184  -5.403  -1.146
   68    HA   VAL   9           HA       VAL   9   0.442  -2.815  -2.389
   69    HB   VAL   9           HB       VAL   9  -0.718  -4.314  -4.030
   70   HG11  VAL   9          HG11      VAL   9  -2.544  -5.454  -3.485
   71   HG12  VAL   9          HG12      VAL   9  -2.357  -4.876  -1.827
   72   HG13  VAL   9          HG13      VAL   9  -3.364  -3.982  -2.966
   73   HG21  VAL   9          HG21      VAL   9  -2.577  -2.072  -3.388
   74   HG22  VAL   9          HG22      VAL   9  -0.900  -1.709  -3.793
   75   HG23  VAL   9          HG23      VAL   9  -1.915  -2.576  -4.944
   76    H    ALA  10           H        ALA  10   0.314  -3.359   0.361
   77    HA   ALA  10           HA       ALA  10  -1.685  -1.448   1.147
   78    HB1  ALA  10           HB1      ALA  10  -2.372  -3.301   2.991
   79    HB2  ALA  10           HB2      ALA  10  -3.277  -2.997   1.508
   80    HB3  ALA  10           HB3      ALA  10  -2.118  -4.325   1.577
   81    HB2  I4G  11           HB2      I4G  11  -0.409  -0.007   0.918
   82    HB3  I4G  11           HB3      I4G  11   0.628   1.019   1.651
   83    HG   I4G  11           HG       I4G  11  -1.913   1.650   1.568
   84   HD13  I4G  11          HD13      I4G  11  -1.747  -0.229   3.991
   85   HD11  I4G  11          HD11      I4G  11  -3.112   0.840   3.618
   86   HD12  I4G  11          HD12      I4G  11  -2.719  -0.501   2.538
   87   HD23  I4G  11          HD23      I4G  11  -0.181   3.001   2.737
   88   HD22  I4G  11          HD22      I4G  11  -0.254   1.910   4.130
   89   HD21  I4G  11          HD21      I4G  11  -1.660   2.901   3.702
   90    HA2  I4G  11           HA2      I4G  11   1.723  -1.117   4.029
   91    HA3  I4G  11           HA3      I4G  11   0.922   0.270   4.349
   92    H    HIS  12           H        HIS  12   2.458  -0.711   1.438
   93    HA   HIS  12           HA       HIS  12   4.404   1.474   1.755
   94    HB2  HIS  12           HB2      HIS  12   5.950   0.254   0.543
   95    HB3  HIS  12           HB3      HIS  12   5.078  -1.036   1.368
   96    HD1  HIS  12           HD1      HIS  12   6.531  -0.653  -1.683
   97    HD2  HIS  12           HD2      HIS  12   2.617  -1.552  -0.615
   98    HE1  HIS  12           HE1      HIS  12   5.530  -1.794  -3.689
   99    H    VAL  13           H        VAL  13   1.665   0.474   0.017
  100    HA   VAL  13           HA       VAL  13   2.004   1.499  -2.519
  101    HB   VAL  13           HB       VAL  13  -0.495   1.636  -0.827
  102   HG11  VAL  13          HG11      VAL  13  -1.443   1.439  -3.300
  103   HG12  VAL  13          HG12      VAL  13  -1.096   2.999  -2.551
  104   HG13  VAL  13          HG13      VAL  13   0.063   2.279  -3.669
  105   HG21  VAL  13          HG21      VAL  13   0.407  -0.442  -2.819
  106   HG22  VAL  13          HG22      VAL  13   0.415  -0.630  -1.066
  107   HG23  VAL  13          HG23      VAL  13  -1.114  -0.446  -1.926
  108    H    VAL  14           H        VAL  14   0.609   3.254   0.259
  109    HA   VAL  14           HA       VAL  14   0.327   5.737  -0.900
  110    HB   VAL  14           HB       VAL  14   1.122   5.137   1.953
  111   HG11  VAL  14          HG11      VAL  14   1.416   7.354   2.078
  112   HG12  VAL  14          HG12      VAL  14   0.611   7.644   0.535
  113   HG13  VAL  14          HG13      VAL  14  -0.343   7.442   2.005
  114   HG21  VAL  14          HG21      VAL  14  -1.633   5.789   0.962
  115   HG22  VAL  14          HG22      VAL  14  -1.027   4.133   0.962
  116   HG23  VAL  14          HG23      VAL  14  -1.152   5.026   2.477
  117    H    GLY  15           H        GLY  15   3.232   4.174   0.256
  118    HA2  GLY  15           HA2      GLY  15   4.907   6.433   0.415
  119    HA3  GLY  15           HA3      GLY  15   5.444   4.780   0.163
  120    H    ALA  16           H        ALA  16   3.897   4.473  -2.306
  121    HA   ALA  16           HA       ALA  16   5.775   5.845  -4.076
  122    HB1  ALA  16           HB1      ALA  16   5.105   4.244  -5.763
  123    HB2  ALA  16           HB2      ALA  16   5.522   3.402  -4.270
  124    HB3  ALA  16           HB3      ALA  16   3.829   3.629  -4.710
  125    H    ILE  17           H        ILE  17   2.285   5.365  -3.655
  126    HA   ILE  17           HA       ILE  17   1.384   6.822  -5.846
  127    HB   ILE  17           HB       ILE  17   0.074   6.613  -3.133
  128   HG12  ILE  17          HG12      ILE  17   0.538   4.413  -4.064
  129   HG13  ILE  17          HG13      ILE  17  -1.188   4.745  -4.161
  130   HG21  ILE  17          HG21      ILE  17  -1.237   8.198  -4.078
  131   HG22  ILE  17          HG22      ILE  17  -0.777   7.756  -5.721
  132   HG23  ILE  17          HG23      ILE  17  -1.969   6.792  -4.850
  133   HD11  ILE  17          HD11      ILE  17  -0.250   5.650  -6.576
  134   HD12  ILE  17          HD12      ILE  17   0.734   4.218  -6.270
  135   HD13  ILE  17          HD13      ILE  17  -1.025   4.094  -6.278
  136    H    ALA  18           H        ALA  18   2.406   7.912  -2.659
  137    HA   ALA  18           HA       ALA  18   1.580  10.623  -3.030
  138    HB1  ALA  18           HB1      ALA  18   1.791   9.707  -0.801
  139    HB2  ALA  18           HB2      ALA  18   3.512   9.416  -1.055
  140    HB3  ALA  18           HB3      ALA  18   2.896  11.067  -0.998
  141    H    GLU  19           H        GLU  19   4.114   8.809  -4.288
  142    HA   GLU  19           HA       GLU  19   6.108  10.868  -4.381
  143    HB2  GLU  19           HB2      GLU  19   6.350   8.255  -4.559
  144    HB3  GLU  19           HB3      GLU  19   6.091   8.551  -6.273
  145    HG2  GLU  19           HG2      GLU  19   8.135  10.178  -4.864
  146    HG3  GLU  19           HG3      GLU  19   8.504   8.491  -5.218
  147    H    HIS  20           H        HIS  20   3.915   9.418  -6.780
  148    HA   HIS  20           HA       HIS  20   4.640  11.315  -8.810
  149    HB2  HIS  20           HB2      HIS  20   3.295  10.095 -10.238
  150    HB3  HIS  20           HB3      HIS  20   3.707   8.869  -9.043
  151    HD1  HIS  20           HD1      HIS  20   0.857  10.829 -10.392
  152    HD2  HIS  20           HD2      HIS  20   1.580   8.116  -7.330
  153    HE1  HIS  20           HE1      HIS  20  -1.411  10.096  -9.593
  154    H    PHE  21           H        PHE  21   2.307  11.156  -6.273
  155    HA   PHE  21           HA       PHE  21   1.025  13.599  -7.311
  156    HB2  PHE  21           HB2      PHE  21  -0.209  11.191  -6.717
  157    HB3  PHE  21           HB3      PHE  21  -0.504  12.164  -5.280
  158    HD1  PHE  21           HD2      PHE  21  -0.803  14.847  -6.377
  159    HD2  PHE  21           HD1      PHE  21  -2.213  11.115  -7.860
  160    HE1  PHE  21           HE2      PHE  21  -2.639  16.005  -7.536
  161    HE2  PHE  21           HE1      PHE  21  -4.050  12.267  -9.022
  162    HZ   PHE  21           HZ       PHE  21  -4.266  14.715  -8.861
  163    HN1  NH2  22           HN1      NH2  22   3.584  13.529  -5.778
  164    HN2  NH2  22           HN2      NH2  22   3.282  14.326  -4.204
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  -3.118 -17.637   3.180
    2    H2   GLY   1           H2       GLY   1  -1.892 -16.956   2.343
    3    H3   GLY   1           H3       GLY   1  -3.068 -16.201   2.827
    4    HA2  GLY   1           HA2      GLY   1  -2.943 -18.119   0.617
    5    HA3  GLY   1           HA3      GLY   1  -4.504 -17.847   1.375
    6    H    LEU   2           H        LEU   2  -5.606 -15.935   1.007
    7    HA   LEU   2           HA       LEU   2  -4.866 -14.555  -1.413
    8    HB2  LEU   2           HB2      LEU   2  -7.246 -15.196  -0.227
    9    HB3  LEU   2           HB3      LEU   2  -7.105 -13.476   0.135
   10    HG   LEU   2           HG       LEU   2  -6.709 -13.176  -2.382
   11   HD11  LEU   2          HD11      LEU   2  -8.291 -15.617  -2.835
   12   HD12  LEU   2          HD12      LEU   2  -6.590 -15.866  -2.443
   13   HD13  LEU   2          HD13      LEU   2  -7.039 -14.870  -3.827
   14   HD21  LEU   2          HD21      LEU   2  -8.886 -12.901  -0.868
   15   HD22  LEU   2          HD22      LEU   2  -9.465 -14.169  -1.949
   16   HD23  LEU   2          HD23      LEU   2  -8.901 -12.635  -2.612
   17    H    PHE   3           H        PHE   3  -5.753 -13.405   1.849
   18    HA   PHE   3           HA       PHE   3  -4.875 -10.783   1.516
   19    HB2  PHE   3           HB2      PHE   3  -5.955 -12.332   3.605
   20    HB3  PHE   3           HB3      PHE   3  -4.456 -11.653   4.233
   21    HD1  PHE   3           HD1      PHE   3  -4.179  -9.252   4.469
   22    HD2  PHE   3           HD2      PHE   3  -7.823 -10.927   3.044
   23    HE1  PHE   3           HE1      PHE   3  -5.317  -7.108   4.868
   24    HE2  PHE   3           HE2      PHE   3  -8.967  -8.785   3.440
   25    HZ   PHE   3           HZ       PHE   3  -7.714  -6.871   4.353
   26    H    GLY   4           H        GLY   4  -3.098 -13.693   2.202
   27    HA2  GLY   4           HA2      GLY   4  -0.779 -12.744   3.357
   28    HA3  GLY   4           HA3      GLY   4  -0.837 -14.099   2.239
   29    H    VAL   5           H        VAL   5  -1.829 -12.437   0.031
   30    HA   VAL   5           HA       VAL   5   0.752 -11.286  -0.734
   31    HB   VAL   5           HB       VAL   5  -1.660 -11.940  -2.433
   32   HG11  VAL   5          HG11      VAL   5   0.474 -11.744  -4.122
   33   HG12  VAL   5          HG12      VAL   5  -0.721 -10.475  -3.847
   34   HG13  VAL   5          HG13      VAL   5   0.806 -10.456  -2.966
   35   HG21  VAL   5          HG21      VAL   5   0.968 -13.365  -2.045
   36   HG22  VAL   5          HG22      VAL   5  -0.637 -13.955  -1.616
   37   HG23  VAL   5          HG23      VAL   5  -0.196 -13.750  -3.311
   38    H    LEU   6           H        LEU   6  -2.481 -10.386   0.054
   39    HA   LEU   6           HA       LEU   6  -2.808  -7.989  -1.286
   40    HB2  LEU   6           HB2      LEU   6  -3.796  -9.119   1.264
   41    HB3  LEU   6           HB3      LEU   6  -3.974  -7.379   1.045
   42    HG   LEU   6           HG       LEU   6  -5.077  -9.488  -0.812
   43   HD11  LEU   6          HD11      LEU   6  -7.240  -8.297   0.184
   44   HD12  LEU   6          HD12      LEU   6  -6.169  -8.119   1.574
   45   HD13  LEU   6          HD13      LEU   6  -6.513  -9.722   0.925
   46   HD21  LEU   6          HD21      LEU   6  -6.427  -7.157  -1.269
   47   HD22  LEU   6          HD22      LEU   6  -5.095  -7.772  -2.249
   48   HD23  LEU   6          HD23      LEU   6  -4.783  -6.584  -0.984
   49    H    ALA   7           H        ALA   7  -0.732  -8.755   1.391
   50    HA   ALA   7           HA       ALA   7  -0.262  -6.196   2.419
   51    HB1  ALA   7           HB1      ALA   7   1.302  -7.186   3.705
   52    HB2  ALA   7           HB2      ALA   7   0.578  -8.668   3.081
   53    HB3  ALA   7           HB3      ALA   7   2.046  -8.026   2.344
   54    H    LYS   8           H        LYS   8   0.838  -7.722  -0.493
   55    HA   LYS   8           HA       LYS   8   3.111  -6.136  -1.007
   56    HB2  LYS   8           HB2      LYS   8   1.926  -8.277  -2.227
   57    HB3  LYS   8           HB3      LYS   8   1.557  -6.983  -3.359
   58    HG2  LYS   8           HG2      LYS   8   4.321  -6.909  -2.496
   59    HG3  LYS   8           HG3      LYS   8   3.892  -8.454  -3.233
   60    HD2  LYS   8           HD2      LYS   8   3.121  -7.357  -5.224
   61    HD3  LYS   8           HD3      LYS   8   3.315  -5.769  -4.479
   62    HE2  LYS   8           HE2      LYS   8   5.784  -7.205  -4.315
   63    HE3  LYS   8           HE3      LYS   8   5.202  -7.237  -5.979
   64    HZ1  LYS   8           HZ1      LYS   8   5.293  -4.723  -4.428
   65    HZ2  LYS   8           HZ2      LYS   8   5.223  -4.926  -6.106
   66    HZ3  LYS   8           HZ3      LYS   8   6.649  -5.287  -5.270
   67    H    VAL   9           H        VAL   9  -0.195  -5.373  -1.009
   68    HA   VAL   9           HA       VAL   9   0.394  -2.774  -2.233
   69    HB   VAL   9           HB       VAL   9  -0.691  -4.183  -3.959
   70   HG11  VAL   9          HG11      VAL   9  -2.348  -5.554  -3.414
   71   HG12  VAL   9          HG12      VAL   9  -2.377  -4.899  -1.775
   72   HG13  VAL   9          HG13      VAL   9  -3.365  -4.163  -3.038
   73   HG21  VAL   9          HG21      VAL   9  -1.077  -1.615  -3.514
   74   HG22  VAL   9          HG22      VAL   9  -1.972  -2.468  -4.773
   75   HG23  VAL   9          HG23      VAL   9  -2.730  -2.147  -3.212
   76    H    ALA  10           H        ALA  10   0.347  -3.078   0.435
   77    HA   ALA  10           HA       ALA  10  -1.712  -1.311   1.245
   78    HB1  ALA  10           HB1      ALA  10  -3.251  -2.608   2.254
   79    HB2  ALA  10           HB2      ALA  10  -2.662  -3.836   1.133
   80    HB3  ALA  10           HB3      ALA  10  -2.058  -3.792   2.789
   81    HB2  I4G  11           HB2      I4G  11  -0.476   0.163   1.129
   82    HB3  I4G  11           HB3      I4G  11   0.494   1.184   1.957
   83    HG   I4G  11           HG       I4G  11  -2.080   1.701   1.812
   84   HD13  I4G  11          HD13      I4G  11  -1.876  -0.255   4.171
   85   HD11  I4G  11          HD11      I4G  11  -3.283   0.761   3.803
   86   HD12  I4G  11          HD12      I4G  11  -2.801  -0.521   2.686
   87   HD23  I4G  11          HD23      I4G  11  -0.444   3.091   3.068
   88   HD22  I4G  11          HD22      I4G  11  -0.493   1.948   4.420
   89   HD21  I4G  11          HD21      I4G  11  -1.936   2.884   3.993
   90    HA2  I4G  11           HA2      I4G  11   1.550  -1.050   4.287
   91    HA3  I4G  11           HA3      I4G  11   0.786   0.369   4.556
   92    H    HIS  12           H        HIS  12   2.268  -0.571   1.628
   93    HA   HIS  12           HA       HIS  12   4.274   1.555   2.002
   94    HB2  HIS  12           HB2      HIS  12   5.522   0.143   0.180
   95    HB3  HIS  12           HB3      HIS  12   5.586  -0.348   1.870
   96    HD1  HIS  12           HD1      HIS  12   5.575  -2.821   1.860
   97    HD2  HIS  12           HD2      HIS  12   2.836  -1.249  -0.839
   98    HE1  HIS  12           HE1      HIS  12   4.349  -4.803   0.917
   99    H    VAL  13           H        VAL  13   1.567   0.612   0.284
  100    HA   VAL  13           HA       VAL  13   2.080   1.455  -2.327
  101    HB   VAL  13           HB       VAL  13  -0.532   1.712  -0.831
  102   HG11  VAL  13          HG11      VAL  13   0.185   2.556  -3.402
  103   HG12  VAL  13          HG12      VAL  13  -0.742   1.072  -3.625
  104   HG13  VAL  13          HG13      VAL  13  -1.439   2.423  -2.731
  105   HG21  VAL  13          HG21      VAL  13   0.576  -0.594  -2.429
  106   HG22  VAL  13          HG22      VAL  13   0.327  -0.557  -0.683
  107   HG23  VAL  13          HG23      VAL  13  -1.059  -0.497  -1.773
  108    H    VAL  14           H        VAL  14   0.721   3.302   0.399
  109    HA   VAL  14           HA       VAL  14   0.343   5.735  -0.849
  110    HB   VAL  14           HB       VAL  14   1.268   5.267   1.989
  111   HG11  VAL  14          HG11      VAL  14  -0.219   7.531   2.058
  112   HG12  VAL  14          HG12      VAL  14   1.542   7.499   1.953
  113   HG13  VAL  14          HG13      VAL  14   0.574   7.699   0.492
  114   HG21  VAL  14          HG21      VAL  14  -0.972   5.120   2.619
  115   HG22  VAL  14          HG22      VAL  14  -1.544   5.818   1.104
  116   HG23  VAL  14          HG23      VAL  14  -0.899   4.177   1.131
  117    H    GLY  15           H        GLY  15   3.314   4.305   0.360
  118    HA2  GLY  15           HA2      GLY  15   4.945   6.595   0.289
  119    HA3  GLY  15           HA3      GLY  15   5.510   4.936   0.152
  120    H    ALA  16           H        ALA  16   3.778   4.539  -2.259
  121    HA   ALA  16           HA       ALA  16   5.668   5.677  -4.175
  122    HB1  ALA  16           HB1      ALA  16   3.561   3.808  -5.078
  123    HB2  ALA  16           HB2      ALA  16   5.269   3.890  -5.510
  124    HB3  ALA  16           HB3      ALA  16   4.781   3.167  -3.976
  125    H    ILE  17           H        ILE  17   2.151   5.361  -3.725
  126    HA   ILE  17           HA       ILE  17   1.327   6.847  -5.925
  127    HB   ILE  17           HB       ILE  17  -0.012   6.674  -3.223
  128   HG12  ILE  17          HG12      ILE  17  -0.404   5.018  -5.724
  129   HG13  ILE  17          HG13      ILE  17   0.419   4.479  -4.264
  130   HG21  ILE  17          HG21      ILE  17  -1.860   6.930  -5.356
  131   HG22  ILE  17          HG22      ILE  17  -1.566   8.040  -4.019
  132   HG23  ILE  17          HG23      ILE  17  -0.658   8.211  -5.521
  133   HD11  ILE  17          HD11      ILE  17  -2.481   5.254  -4.470
  134   HD12  ILE  17          HD12      ILE  17  -1.844   3.612  -4.377
  135   HD13  ILE  17          HD13      ILE  17  -1.657   4.710  -3.009
  136    H    ALA  18           H        ALA  18   2.373   7.905  -2.736
  137    HA   ALA  18           HA       ALA  18   1.634  10.638  -3.093
  138    HB1  ALA  18           HB1      ALA  18   3.670   9.516  -1.176
  139    HB2  ALA  18           HB2      ALA  18   2.819  11.056  -1.051
  140    HB3  ALA  18           HB3      ALA  18   1.931   9.541  -0.879
  141    H    GLU  19           H        GLU  19   4.142   8.742  -4.332
  142    HA   GLU  19           HA       GLU  19   6.178  10.742  -4.471
  143    HB2  GLU  19           HB2      GLU  19   6.335   8.126  -4.673
  144    HB3  GLU  19           HB3      GLU  19   6.052   8.440  -6.380
  145    HG2  GLU  19           HG2      GLU  19   8.378   8.327  -6.130
  146    HG3  GLU  19           HG3      GLU  19   8.000  10.042  -6.279
  147    H    HIS  20           H        HIS  20   3.915   9.378  -6.858
  148    HA   HIS  20           HA       HIS  20   4.665  11.285  -8.871
  149    HB2  HIS  20           HB2      HIS  20   3.282  10.113 -10.303
  150    HB3  HIS  20           HB3      HIS  20   3.679   8.862  -9.128
  151    HD1  HIS  20           HD1      HIS  20   0.859  10.929 -10.395
  152    HD2  HIS  20           HD2      HIS  20   1.553   8.098  -7.434
  153    HE1  HIS  20           HE1      HIS  20  -1.418  10.223  -9.592
  154    H    PHE  21           H        PHE  21   2.355  11.144  -6.313
  155    HA   PHE  21           HA       PHE  21   1.065  13.588  -7.338
  156    HB2  PHE  21           HB2      PHE  21  -0.173  11.236  -6.675
  157    HB3  PHE  21           HB3      PHE  21  -0.315  12.148  -5.177
  158    HD1  PHE  21           HD1      PHE  21  -0.846  12.535  -8.845
  159    HD2  PHE  21           HD2      PHE  21  -2.092  13.586  -4.913
  160    HE1  PHE  21           HE1      PHE  21  -2.758  13.766  -9.783
  161    HE2  PHE  21           HE2      PHE  21  -4.006  14.819  -5.846
  162    HZ   PHE  21           HZ       PHE  21  -4.342  14.910  -8.283
  163    HN1  NH2  22           HN1      NH2  22   3.706  13.537  -5.934
  164    HN2  NH2  22           HN2      NH2  22   3.491  14.393  -4.377
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -2.727 -17.581   2.742
    2    H2   GLY   1           H2       GLY   1  -1.577 -17.588   1.583
    3    H3   GLY   1           H3       GLY   1  -2.259 -16.360   2.049
    4    HA2  GLY   1           HA2      GLY   1  -3.185 -18.332   0.169
    5    HA3  GLY   1           HA3      GLY   1  -4.429 -17.828   1.304
    6    H    LEU   2           H        LEU   2  -5.600 -16.091   0.799
    7    HA   LEU   2           HA       LEU   2  -4.977 -14.641  -1.619
    8    HB2  LEU   2           HB2      LEU   2  -7.302 -15.413  -0.480
    9    HB3  LEU   2           HB3      LEU   2  -7.215 -13.743   0.074
   10    HG   LEU   2           HG       LEU   2  -8.551 -13.926  -1.949
   11   HD11  LEU   2          HD11      LEU   2  -5.916 -12.600  -2.555
   12   HD12  LEU   2          HD12      LEU   2  -7.167 -11.908  -1.524
   13   HD13  LEU   2          HD13      LEU   2  -7.494 -12.200  -3.233
   14   HD21  LEU   2          HD21      LEU   2  -6.454 -15.701  -2.747
   15   HD22  LEU   2          HD22      LEU   2  -6.618 -14.408  -3.935
   16   HD23  LEU   2          HD23      LEU   2  -8.014 -15.401  -3.515
   17    H    PHE   3           H        PHE   3  -5.813 -13.609   1.695
   18    HA   PHE   3           HA       PHE   3  -4.991 -10.953   1.390
   19    HB2  PHE   3           HB2      PHE   3  -6.018 -12.581   3.476
   20    HB3  PHE   3           HB3      PHE   3  -4.579 -11.781   4.099
   21    HD1  PHE   3           HD1      PHE   3  -4.481  -9.355   4.272
   22    HD2  PHE   3           HD2      PHE   3  -7.990 -11.339   2.906
   23    HE1  PHE   3           HE1      PHE   3  -5.780  -7.298   4.632
   24    HE2  PHE   3           HE2      PHE   3  -9.294  -9.284   3.262
   25    HZ   PHE   3           HZ       PHE   3  -8.190  -7.259   4.124
   26    H    GLY   4           H        GLY   4  -3.187 -13.851   2.052
   27    HA2  GLY   4           HA2      GLY   4  -0.887 -12.882   3.238
   28    HA3  GLY   4           HA3      GLY   4  -0.922 -14.233   2.114
   29    H    VAL   5           H        VAL   5  -1.963 -12.472  -0.050
   30    HA   VAL   5           HA       VAL   5   0.633 -11.375  -0.840
   31    HB   VAL   5           HB       VAL   5  -1.840 -11.892  -2.498
   32   HG11  VAL   5          HG11      VAL   5  -0.898 -10.425  -3.901
   33   HG12  VAL   5          HG12      VAL   5   0.643 -10.450  -3.040
   34   HG13  VAL   5          HG13      VAL   5   0.274 -11.703  -4.224
   35   HG21  VAL   5          HG21      VAL   5   0.757 -13.407  -2.256
   36   HG22  VAL   5          HG22      VAL   5  -0.842 -13.961  -1.758
   37   HG23  VAL   5          HG23      VAL   5  -0.484 -13.723  -3.469
   38    H    LEU   6           H        LEU   6  -2.602 -10.415  -0.039
   39    HA   LEU   6           HA       LEU   6  -2.782  -7.928  -1.259
   40    HB2  LEU   6           HB2      LEU   6  -3.944  -9.164   1.174
   41    HB3  LEU   6           HB3      LEU   6  -4.080  -7.415   1.009
   42    HG   LEU   6           HG       LEU   6  -5.049  -9.359  -1.080
   43   HD11  LEU   6          HD11      LEU   6  -6.302  -8.414   1.428
   44   HD12  LEU   6          HD12      LEU   6  -6.540  -9.914   0.532
   45   HD13  LEU   6          HD13      LEU   6  -7.312  -8.426  -0.019
   46   HD21  LEU   6          HD21      LEU   6  -4.582  -7.082  -1.855
   47   HD22  LEU   6          HD22      LEU   6  -5.643  -6.440  -0.599
   48   HD23  LEU   6          HD23      LEU   6  -6.309  -7.442  -1.889
   49    H    ALA   7           H        ALA   7  -0.844  -8.950   1.418
   50    HA   ALA   7           HA       ALA   7  -0.365  -6.455   2.634
   51    HB1  ALA   7           HB1      ALA   7   0.734  -9.144   2.784
   52    HB2  ALA   7           HB2      ALA   7   1.950  -7.890   3.035
   53    HB3  ALA   7           HB3      ALA   7   0.510  -7.938   4.053
   54    H    LYS   8           H        LYS   8   0.784  -7.850  -0.300
   55    HA   LYS   8           HA       LYS   8   3.187  -6.360  -0.560
   56    HB2  LYS   8           HB2      LYS   8   1.997  -8.419  -1.947
   57    HB3  LYS   8           HB3      LYS   8   1.846  -7.071  -3.066
   58    HG2  LYS   8           HG2      LYS   8   4.494  -7.315  -1.850
   59    HG3  LYS   8           HG3      LYS   8   4.019  -8.696  -2.843
   60    HD2  LYS   8           HD2      LYS   8   3.477  -7.138  -4.685
   61    HD3  LYS   8           HD3      LYS   8   4.057  -5.799  -3.690
   62    HE2  LYS   8           HE2      LYS   8   5.989  -6.201  -4.792
   63    HE3  LYS   8           HE3      LYS   8   6.185  -7.424  -3.537
   64    HZ1  LYS   8           HZ1      LYS   8   5.354  -7.784  -6.346
   65    HZ2  LYS   8           HZ2      LYS   8   4.983  -8.949  -5.176
   66    HZ3  LYS   8           HZ3      LYS   8   6.597  -8.560  -5.500
   67    H    VAL   9           H        VAL   9  -0.048  -5.446  -0.691
   68    HA   VAL   9           HA       VAL   9   0.699  -2.869  -1.868
   69    HB   VAL   9           HB       VAL   9  -1.917  -4.165  -2.596
   70   HG11  VAL   9          HG11      VAL   9  -1.907  -2.513  -4.389
   71   HG12  VAL   9          HG12      VAL   9  -1.753  -1.732  -2.813
   72   HG13  VAL   9          HG13      VAL   9  -0.337  -1.921  -3.848
   73   HG21  VAL   9          HG21      VAL   9  -0.498  -5.684  -3.603
   74   HG22  VAL   9          HG22      VAL   9  -0.690  -4.476  -4.874
   75   HG23  VAL   9          HG23      VAL   9   0.764  -4.484  -3.877
   76    H    ALA  10           H        ALA  10   0.567  -3.116   0.768
   77    HA   ALA  10           HA       ALA  10  -1.575  -1.369   1.488
   78    HB1  ALA  10           HB1      ALA  10  -1.619  -4.120   2.722
   79    HB2  ALA  10           HB2      ALA  10  -2.696  -2.775   3.099
   80    HB3  ALA  10           HB3      ALA  10  -2.758  -3.536   1.510
   81    HB2  I4G  11           HB2      I4G  11  -0.370   0.184   1.228
   82    HB3  I4G  11           HB3      I4G  11   0.462   1.333   2.036
   83    HG   I4G  11           HG       I4G  11  -2.164   0.417   3.080
   84   HD13  I4G  11          HD13      I4G  11  -0.685   3.099   3.308
   85   HD11  I4G  11          HD11      I4G  11  -2.255   2.732   4.045
   86   HD12  I4G  11          HD12      I4G  11  -0.806   1.876   4.580
   87   HD23  I4G  11          HD23      I4G  11  -2.562   1.054   0.709
   88   HD22  I4G  11          HD22      I4G  11  -1.787   2.621   0.987
   89   HD21  I4G  11          HD21      I4G  11  -3.306   2.222   1.809
   90    HA2  I4G  11           HA2      I4G  11   1.653  -0.691   4.499
   91    HA3  I4G  11           HA3      I4G  11   0.881   0.746   4.577
   92    H    HIS  12           H        HIS  12   2.202  -0.342   1.672
   93    HA   HIS  12           HA       HIS  12   4.346   1.668   1.902
   94    HB2  HIS  12           HB2      HIS  12   5.270   0.081  -0.070
   95    HB3  HIS  12           HB3      HIS  12   5.648  -0.177   1.630
   96    HD1  HIS  12           HD1      HIS  12   5.451  -2.559   2.214
   97    HD2  HIS  12           HD2      HIS  12   2.634  -1.443  -0.629
   98    HE1  HIS  12           HE1      HIS  12   4.123  -4.640   1.731
   99    H    VAL  13           H        VAL  13   1.520   0.774   0.301
  100    HA   VAL  13           HA       VAL  13   1.967   1.653  -2.318
  101    HB   VAL  13           HB       VAL  13  -0.584   1.740  -0.701
  102   HG11  VAL  13          HG11      VAL  13   0.017   2.779  -3.303
  103   HG12  VAL  13          HG12      VAL  13  -1.135   1.449  -3.441
  104   HG13  VAL  13          HG13      VAL  13  -1.500   2.831  -2.404
  105   HG21  VAL  13          HG21      VAL  13  -1.070  -0.388  -1.501
  106   HG22  VAL  13          HG22      VAL  13   0.110  -0.276  -2.807
  107   HG23  VAL  13          HG23      VAL  13   0.654  -0.484  -1.142
  108    H    VAL  14           H        VAL  14   0.745   3.426   0.512
  109    HA   VAL  14           HA       VAL  14   0.225   5.873  -0.643
  110    HB   VAL  14           HB       VAL  14   1.412   5.370   2.090
  111   HG11  VAL  14          HG11      VAL  14   1.550   7.584   2.256
  112   HG12  VAL  14          HG12      VAL  14   0.747   7.813   0.701
  113   HG13  VAL  14          HG13      VAL  14  -0.210   7.629   2.171
  114   HG21  VAL  14          HG21      VAL  14  -1.469   5.734   1.275
  115   HG22  VAL  14          HG22      VAL  14  -0.711   4.180   1.624
  116   HG23  VAL  14          HG23      VAL  14  -0.862   5.393   2.895
  117    H    GLY  15           H        GLY  15   3.319   4.725   0.694
  118    HA2  GLY  15           HA2      GLY  15   4.829   7.023   0.268
  119    HA3  GLY  15           HA3      GLY  15   5.477   5.391   0.285
  120    H    ALA  16           H        ALA  16   3.641   4.729  -2.032
  121    HA   ALA  16           HA       ALA  16   5.487   5.623  -4.101
  122    HB1  ALA  16           HB1      ALA  16   3.273   3.577  -4.169
  123    HB2  ALA  16           HB2      ALA  16   4.359   3.942  -5.511
  124    HB3  ALA  16           HB3      ALA  16   5.000   3.258  -4.017
  125    H    ILE  17           H        ILE  17   1.964   5.516  -3.572
  126    HA   ILE  17           HA       ILE  17   1.184   6.903  -5.851
  127    HB   ILE  17           HB       ILE  17  -0.131   6.956  -3.132
  128   HG12  ILE  17          HG12      ILE  17  -0.628   5.173  -5.525
  129   HG13  ILE  17          HG13      ILE  17   0.189   4.684  -4.045
  130   HG21  ILE  17          HG21      ILE  17  -0.732   8.378  -5.517
  131   HG22  ILE  17          HG22      ILE  17  -1.989   7.168  -5.261
  132   HG23  ILE  17          HG23      ILE  17  -1.627   8.345  -3.998
  133   HD11  ILE  17          HD11      ILE  17  -1.850   5.061  -2.781
  134   HD12  ILE  17          HD12      ILE  17  -2.672   5.591  -4.249
  135   HD13  ILE  17          HD13      ILE  17  -2.122   3.922  -4.100
  136    H    ALA  18           H        ALA  18   2.313   8.103  -2.743
  137    HA   ALA  18           HA       ALA  18   1.698  10.842  -3.269
  138    HB1  ALA  18           HB1      ALA  18   2.841  11.335  -1.247
  139    HB2  ALA  18           HB2      ALA  18   1.979   9.816  -0.991
  140    HB3  ALA  18           HB3      ALA  18   3.718   9.804  -1.292
  141    H    GLU  19           H        GLU  19   4.112   8.751  -4.380
  142    HA   GLU  19           HA       GLU  19   6.241  10.639  -4.645
  143    HB2  GLU  19           HB2      GLU  19   6.264   8.007  -4.683
  144    HB3  GLU  19           HB3      GLU  19   6.005   8.233  -6.407
  145    HG2  GLU  19           HG2      GLU  19   8.216   8.345  -6.566
  146    HG3  GLU  19           HG3      GLU  19   8.064   9.963  -5.884
  147    H    HIS  20           H        HIS  20   3.894   9.249  -6.931
  148    HA   HIS  20           HA       HIS  20   4.736  10.982  -9.065
  149    HB2  HIS  20           HB2      HIS  20   3.296   9.788 -10.421
  150    HB3  HIS  20           HB3      HIS  20   3.634   8.597  -9.169
  151    HD1  HIS  20           HD1      HIS  20   0.914  10.719 -10.561
  152    HD2  HIS  20           HD2      HIS  20   1.479   8.038  -7.436
  153    HE1  HIS  20           HE1      HIS  20  -1.392  10.174  -9.717
  154    H    PHE  21           H        PHE  21   2.433  11.115  -6.502
  155    HA   PHE  21           HA       PHE  21   1.245  13.538  -7.683
  156    HB2  PHE  21           HB2      PHE  21  -0.087  11.300  -6.845
  157    HB3  PHE  21           HB3      PHE  21  -0.165  12.318  -5.409
  158    HD1  PHE  21           HD1      PHE  21  -0.715  12.506  -9.091
  159    HD2  PHE  21           HD2      PHE  21  -1.892  13.823  -5.219
  160    HE1  PHE  21           HE1      PHE  21  -2.585  13.757 -10.089
  161    HE2  PHE  21           HE2      PHE  21  -3.763  15.076  -6.210
  162    HZ   PHE  21           HZ       PHE  21  -4.112  15.043  -8.647
  163    HN1  NH2  22           HN1      NH2  22   3.901  13.453  -6.294
  164    HN2  NH2  22           HN2      NH2  22   3.745  14.435  -4.806