*HEADER    TOXIN                                   15-OCT-15   2N8H              
*TITLE     STRUCTURAL BASIS FOR THE INHIBITION OF VOLTAGE-GATED SODIUM CHANNELS  
*TITLE    2 WITH CONOTOXIN-MUOXI-GVIIJ                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CONOTOXIN-MUOXI-GVIIJ;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    INHIBITOR CYSTEINE KNOT, TOXIN                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.R.GREEN, S.CHHABRA, R.S.NORTON                                      
*REVDAT   1   03-FEB-16 2N8H    0                                                


! Phi/Psi Angles From 'Strong' TALOS-N Predictions: 
!    error margins are set to conservative default values of double the 
!    standard deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -72.8   21.9 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0   92.7   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0   -7.7   20.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -75.0   24.9 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  132.7   20.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -87.7   24.7 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  129.5   20.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -88.3   43.9 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  131.9   39.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -85.9   23.8 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  111.1   26.1 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -20.7   20.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -89.2   20.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0   -7.6   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  140.0   25.8 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -81.8   32.2 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  129.4   28.0 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -80.4   21.5 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  114.5   22.4 2
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -69.3   20.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  -27.4   20.0 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0  -73.6   20.4 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  -40.0   20.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0   -8.1   20.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  154.4   20.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  151.1   28.4 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -67.9   20.3 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  134.8   24.5 2

! Phi/Psi Angles From 'Generous' TALOS-N Predictions: 
!    error margins are set to default values of triple the standard
!    deviation observed in TALOS-N capped at a minimum of +/-20 degree.
assign (resid    1 and name C    ) (resid    2 and name N   )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -66.1   30.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  137.8   30.9 2
assign (resid    2 and name C    ) (resid    3 and name N   )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -116.3   55.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  140.5   47.2 2
assign (resid   28 and name C    ) (resid   29 and name N   )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0  -79.9   33.5 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  119.7   66.5 2

! From 3Jna
assign (resid  2 and name C    )   (resid    3 and name N   )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0   -120   40 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0   -120   40 2   
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0   -120   40 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0   -120   40 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0   -120   40 2

! CHI1

assign (resid 5  and name N ) (resid 5  and name CA)
       (resid 5  and name CB) (resid 5  and name CG)   1.0  -60 60 2

assign (resid 14  and name N ) (resid 14  and name CA)
       (resid 14  and name CB) (resid 14  and name CG)  1.0  -60 60 2

assign (resid 17  and name N ) (resid 17  and name CA)
       (resid 17  and name CB) (resid 17  and name SG)  1.0  -60 60 2

assign (resid 18  and name N ) (resid 18  and name CA)
       (resid 18  and name CB) (resid 18  and name SG)  1.0  -60 60 2

assign (resid 22  and name N ) (resid 22  and name CA)
       (resid 22  and name CB) (resid 22  and name SG)  1.0  -60 60 2


assign (resid 23  and name N ) (resid 23  and name CA)
       (resid 23  and name CB) (resid 23  and name CG)  1.0  -60 60 2


assign (resid 29  and name N ) (resid 29  and name CA)
       (resid 29  and name CB) (resid 29  and name SG)  1.0  -60 60 2


assign (resid 30  and name N ) (resid 30  and name CA)
       (resid 30  and name CB) (resid 30  and name CG)  1.0  -60 60 2


assign (resid 31  and name N ) (resid 31  and name CA)
       (resid 31  and name CB) (resid 31  and name CG)  1.0  -60 60 2


assign ( resid 23 and name HN ) ( resid 28 and name  O ) 1.60 0 0.40
assign ( resid 23 and name N ) ( resid 28 and name  O ) 2.60 0.2 0.40
assign ( resid 28 and name HN ) ( resid 23 and name  O ) 1.60 0 0.40
assign ( resid 28 and name N ) ( resid 23 and name  O ) 2.60 0.2 0.40
assign ( resid 29 and name HN ) ( resid 8 and name  O ) 1.60 0 0.40
assign ( resid 29 and name N ) ( resid 8 and name  O ) 2.60 0.2 0.40
assign ( resid 10 and name HN ) ( resid 27 and name  O ) 1.60 0 0.40
assign ( resid 10 and name N ) ( resid 27 and name  O ) 2.60 0.2 0.40
assign ( resid 30 and name HN ) ( resid 21 and name  O ) 1.60 0 0.40
assign ( resid 30 and name N ) ( resid 21 and name  O ) 2.60 0.2 0.40
assign (resid 21 and name HD* ) (resid 30 and name H ) 4.74 2.94 0
assign (resid 2 and name H ) (resid 2 and name HD1 ) 5.02 3.22 0
assign (resid 2 and name H ) (resid 3 and name H ) 4.51 2.71 0
assign (resid 17 and name HB1 ) (resid 20 and name H ) 3.62 1.82 0
assign (resid 3 and name HB2 ) (resid 4 and name H ) 4.47 2.67 0
assign (resid 3 and name HB1 ) (resid 4 and name H ) 4.47 2.67 0
assign (resid 7 and name H ) (resid 29 and name H ) 4.29 2.49 0
assign (resid 7 and name H ) (resid 8 and name H ) 3.54 1.74 0
assign (resid 8 and name H ) (resid 8 and name HB* ) 2.77 0.97 0
assign (resid 8 and name HA ) (resid 9 and name H ) 2.71 0.91 0
assign (resid 8 and name HB* ) (resid 9 and name H ) 3.4 1.6 0
assign (resid 9 and name H ) (resid 9 and name HB ) 3.02 1.22 0
assign (resid 9 and name H ) (resid 9 and name HG2* ) 3.87 2.07 0
assign (resid 9 and name HB ) (resid 10 and name H ) 4.09 2.29 0
assign (resid 9 and name HG2* ) (resid 10 and name H ) 3.36 1.56 0
assign (resid 10 and name H ) (resid 10 and name HB2 ) 3.92 2.12 0
assign (resid 10 and name H ) (resid 10 and name HB1 ) 3.92 2.12 0
assign (resid 10 and name HA ) (resid 11 and name H ) 3.29 1.49 0
assign (resid 11 and name H ) (resid 12 and name H ) 3.55 1.75 0
assign (resid 12 and name H ) (resid 12 and name HB1 ) 3.79 1.99 0
assign (resid 12 and name H ) (resid 12 and name HB2 ) 3.79 1.99 0
assign (resid 12 and name HA ) (resid 13 and name H ) 2.96 1.16 0
assign (resid 32 and name H ) (resid 32 and name HB1 ) 3.8 2 0
assign (resid 13 and name H ) (resid 13 and name HB2 ) 3.86 2.06 0
assign (resid 13 and name H ) (resid 13 and name HG ) 4.4 2.6 0
assign (resid 13 and name H ) (resid 14 and name H ) 3.71 1.91 0
assign (resid 14 and name H ) (resid 14 and name HB1 ) 4.05 2.25 0
assign (resid 14 and name H ) (resid 14 and name HB2 ) 4.05 2.25 0
assign (resid 14 and name H ) (resid 14 and name HG1 ) 4.8 3 0
assign (resid 14 and name H ) (resid 14 and name HG2 ) 4.8 3 0
assign (resid 14 and name HA ) (resid 14 and name HE ) 4.93 3.13 0
assign (resid 14 and name HB1 ) (resid 14 and name HE ) 4.81 3.01 0
assign (resid 14 and name HB2 ) (resid 14 and name HE ) 4.81 3.01 0
assign (resid 14 and name HB1 ) (resid 15 and name H ) 3.95 2.15 0
assign (resid 14 and name HB2 ) (resid 15 and name H ) 3.95 2.15 0
assign (resid 15 and name HA ) (resid 16 and name H ) 2.82 1.02 0
assign (resid 16 and name H ) (resid 16 and name HB* ) 3.05 1.25 0
assign (resid 16 and name H ) (resid 16 and name HD* ) 3.95 2.15 0
assign (resid 16 and name HA ) (resid 16 and name HB* ) 2.91 1.11 0
assign (resid 16 and name HA ) (resid 16 and name HD* ) 3.44 1.64 0
assign (resid 16 and name H ) (resid 17 and name H ) 4.62 2.82 0
assign (resid 16 and name HA ) (resid 17 and name H ) 2.85 1.05 0
assign (resid 16 and name HB* ) (resid 17 and name H ) 3.31 1.51 0
assign (resid 16 and name HD* ) (resid 17 and name H ) 4.8 3 0
assign (resid 17 and name H ) (resid 17 and name HB2 ) 3.17 1.37 0
assign (resid 17 and name H ) (resid 17 and name HB1 ) 3.8 2 0
assign (resid 17 and name HA ) (resid 18 and name H ) 2.86 1.06 0
assign (resid 17 and name HB2 ) (resid 18 and name H ) 4.83 3.03 0
assign (resid 17 and name HB1 ) (resid 18 and name H ) 3.89 2.09 0
assign (resid 18 and name H ) (resid 18 and name HB2 ) 3.96 2.16 0
assign (resid 18 and name H ) (resid 18 and name HB1 ) 3.96 2.16 0
assign (resid 18 and name H ) (resid 20 and name H ) 5.2 3.4 0
assign (resid 18 and name HB2 ) (resid 19 and name H ) 4.07 2.27 0
assign (resid 18 and name HB1 ) (resid 19 and name H ) 4.07 2.27 0
assign (resid 19 and name H ) (resid 20 and name H ) 3.64 1.84 0
assign (resid 19 and name H ) (resid 21 and name H ) 4.82 3.02 0
assign (resid 20 and name H ) (resid 21 and name H ) 3.51 1.71 0
assign (resid 21 and name H ) (resid 21 and name HB2 ) 3.63 1.83 0
assign (resid 21 and name H ) (resid 21 and name HB1 ) 3.43 1.63 0
assign (resid 21 and name H ) (resid 21 and name HD* ) 4.81 3.01 0
assign (resid 21 and name HD* ) (resid 30 and name HB1 ) 3.97 2.17 0
assign (resid 21 and name HA ) (resid 21 and name HD* ) 3.29 1.49 0
assign (resid 21 and name HE* ) (resid 30 and name HB1 ) 4.41 2.61 0
assign (resid 22 and name H ) (resid 22 and name HB2 ) 3.65 1.85 0
assign (resid 22 and name H ) (resid 22 and name HB1 ) 3.42 1.62 0
assign (resid 23 and name H ) (resid 23 and name HB2 ) 3.18 1.38 0
assign (resid 23 and name H ) (resid 23 and name HB1 ) 2.94 1.14 0
assign (resid 21 and name HD* ) (resid 31 and name H ) 5.5 3.7 0
assign (resid 24 and name H ) (resid 25 and name H ) 3.46 1.66 0
assign (resid 25 and name HB2 ) (resid 26 and name H ) 3.59 1.79 0
assign (resid 26 and name H ) (resid 26 and name HB ) 4.2 2.4 0
assign (resid 26 and name H ) (resid 26 and name HG2* ) 3.37 1.57 0
assign (resid 26 and name H ) (resid 27 and name H ) 3 1.2 0
assign (resid 24 and name HA ) (resid 27 and name H ) 4.04 2.24 0
assign (resid 27 and name H ) (resid 27 and name HA ) 2.74 0.94 0
assign (resid 27 and name H ) (resid 27 and name HB2 ) 4.08 2.28 0
assign (resid 27 and name H ) (resid 27 and name HB1 ) 4.08 2.28 0
assign (resid 27 and name H ) (resid 27 and name HD1 ) 4.61 2.81 0
assign (resid 27 and name H ) (resid 27 and name HD2 ) 4.61 2.81 0
assign (resid 27 and name H ) (resid 28 and name H ) 3.35 1.55 0
assign (resid 27 and name HA ) (resid 27 and name HE2 ) 5.5 3.7 0
assign (resid 27 and name HA ) (resid 27 and name HE1 ) 5.5 3.7 0
assign (resid 28 and name H ) (resid 28 and name HB ) 4.03 2.23 0
assign (resid 28 and name H ) (resid 29 and name H ) 5.5 3.7 0
assign (resid 28 and name HA ) (resid 29 and name H ) 2.78 0.98 0
assign (resid 29 and name H ) (resid 29 and name HB2 ) 3.79 1.99 0
assign (resid 29 and name H ) (resid 29 and name HB1 ) 3.79 1.99 0
assign (resid 29 and name HA ) (resid 30 and name H ) 2.84 1.04 0
assign (resid 30 and name H ) (resid 30 and name HB2 ) 3.55 1.75 0
assign (resid 30 and name H ) (resid 30 and name HB1 ) 4.05 2.25 0
assign (resid 30 and name H ) (resid 30 and name HG2 ) 4.99 3.19 0
assign (resid 30 and name H ) (resid 30 and name HG1 ) 5.35 3.55 0
assign (resid 30 and name HA ) (resid 31 and name H ) 3.01 1.21 0
assign (resid 31 and name H ) (resid 31 and name HB1 ) 3.8 2 0
assign (resid 31 and name H ) (resid 31 and name HB2 ) 3.8 2 0
assign (resid 30 and name HB1 ) (resid 32 and name H ) 5.02 3.22 0
assign (resid 6 and name HA ) (resid 29 and name HB2 ) 4.16 2.36 0
assign (resid 33 and name H ) (resid 33 and name HB2 ) 3.77 1.97 0
assign (resid 33 and name H ) (resid 33 and name HB1 ) 3.77 1.97 0
assign (resid 30 and name HB1 ) (resid 31 and name H ) 3.35 1.55 0
assign (resid 30 and name HD2 ) (resid 31 and name H ) 5.23 3.43 0
assign (resid 30 and name HD1 ) (resid 31 and name H ) 5.23 3.43 0
assign (resid 30 and name HB2 ) (resid 31 and name H ) 4.15 2.35 0
assign (resid 30 and name HG2 ) (resid 31 and name H ) 4.09 2.29 0
assign (resid 4 and name H ) (resid 8 and name HB* ) 4.98 3.18 0
assign (resid 8 and name HB* ) (resid 29 and name H ) 4.21 2.41 0
assign (resid 23 and name HB2 ) (resid 24 and name H ) 4.69 2.89 0
assign (resid 17 and name HB2 ) (resid 19 and name H ) 5.23 3.43 0
assign (resid 17 and name HB2 ) (resid 21 and name H ) 3.75 1.95 0
assign (resid 23 and name HB2 ) (resid 28 and name H ) 5.09 3.29 0
assign (resid 17 and name HB2 ) (resid 20 and name H ) 3.88 2.08 0
assign (resid 21 and name HE* ) (resid 23 and name HB2 ) 3.96 2.16 0
assign (resid 7 and name H ) (resid 8 and name HB* ) 4.64 2.84 0
assign (resid 7 and name H ) (resid 28 and name HG2* ) 4.83 3.03 0
assign (resid 28 and name HG2* ) (resid 29 and name H ) 3.85 2.05 0
assign (resid 26 and name HG2* ) (resid 27 and name H ) 4.44 2.64 0
assign (resid 9 and name H ) (resid 28 and name HG2* ) 4.67 2.87 0
assign (resid 25 and name HE* ) (resid 26 and name HG2* ) 4.74 2.94 0
assign (resid 25 and name HD* ) (resid 26 and name HG2* ) 3.59 1.79 0
assign (resid 21 and name HE* ) (resid 30 and name HG2 ) 5.21 3.41 0
assign (resid 21 and name HE* ) (resid 30 and name HG1 ) 5.5 3.7 0
assign (resid 21 and name HE* ) (resid 30 and name HB2 ) 4 2.2 0
assign (resid 21 and name HD* ) (resid 30 and name HB2 ) 4.36 2.56 0
assign (resid 10 and name H ) (resid 28 and name HG2* ) 4.38 2.58 0
assign (resid 32 and name HB2 ) (resid 33 and name H ) 3.92 2.12 0
assign (resid 31 and name HB2 ) (resid 32 and name H ) 4.7 2.9 0
assign (resid 21 and name HB2 ) (resid 22 and name H ) 4.35 2.55 0
assign (resid 31 and name HB1 ) (resid 32 and name H ) 4.7 2.9 0
assign (resid 7 and name H ) (resid 29 and name HB2 ) 4.14 2.34 0
assign (resid 23 and name HB1 ) (resid 28 and name H ) 3.43 1.63 0
assign (resid 17 and name HB1 ) (resid 19 and name H ) 3.51 1.71 0
assign (resid 7 and name H ) (resid 29 and name HB1 ) 4.14 2.34 0
assign (resid 21 and name HB1 ) (resid 30 and name H ) 4.24 2.44 0
assign (resid 21 and name HB1 ) (resid 32 and name H ) 4.92 3.12 0
assign (resid 17 and name HB1 ) (resid 21 and name H ) 3.94 2.14 0
assign (resid 28 and name HB ) (resid 29 and name H ) 3.21 1.41 0
assign (resid 7 and name H ) (resid 28 and name HB ) 4.11 2.31 0
assign (resid 23 and name HA ) (resid 24 and name H ) 2.74 0.94 0
assign (resid 23 and name H ) (resid 29 and name HA ) 3.83 2.03 0
assign (resid 10 and name H ) (resid 28 and name HA ) 3.49 1.69 0
assign (resid 23 and name H ) (resid 28 and name H ) 3.89 2.09 0
assign (resid 21 and name HZ ) (resid 24 and name H ) 5.38 3.58 0
assign (resid 24 and name H ) (resid 26 and name H ) 5.17 3.37 0
assign (resid 21 and name HD* ) (resid 32 and name H ) 5.5 3.7 0
assign (resid 17 and name H ) (resid 20 and name H ) 5.13 3.33 0
assign (resid 23 and name H ) (resid 30 and name H ) 4.47 2.67 0
assign (resid 8 and name H ) (resid 29 and name H ) 4.16 2.36 0
assign (resid 10 and name H ) (resid 29 and name H ) 5.21 3.41 0
assign (resid 29 and name H ) (resid 30 and name H ) 4.67 2.87 0
assign (resid 15 and name H ) (resid 15 and name HB1 ) 3.63 1.83 0
assign (resid 15 and name H ) (resid 15 and name HB2 ) 3.63 1.83 0
assign (resid 15 and name HB2 ) (resid 16 and name H ) 4.47 2.67 0
assign (resid 15 and name HB1 ) (resid 16 and name H ) 4.47 2.67 0
assign (resid 18 and name H ) (resid 19 and name H ) 3.63 1.83 0
assign (resid 28 and name H ) (resid 28 and name HG2* ) 3.95 2.15 0
assign (resid 31 and name H ) (resid 32 and name H ) 4.53 2.73 0
assign (resid 32 and name H ) (resid 33 and name H ) 3.6 1.8 0
assign (resid 32 and name HB1 ) (resid 33 and name H ) 3.92 2.12 0
assign (resid 4 and name HA1 ) (resid 8 and name HB* ) 4.01 2.21 0
assign (resid 26 and name HA ) (resid 26 and name HG2* ) 3.06 1.26 0
assign (resid 21 and name HB2 ) (resid 30 and name H ) 5.5 3.7 0
assign (resid 23 and name HB2 ) (resid 30 and name H ) 4.7 2.9 0
assign (resid 5 and name H ) (resid 8 and name HB* ) 3.46 1.66 0
assign (resid 5 and name H ) (resid 5 and name HB1 ) 3.66 1.86 0
assign (resid 5 and name H ) (resid 5 and name HB2 ) 3.66 1.86 0
assign (resid 8 and name H ) (resid 28 and name HG2* ) 4.81 3.01 0
assign (resid 9 and name HA ) (resid 9 and name HG2* ) 3.37 1.57 0
assign (resid 9 and name HA ) (resid 10 and name H ) 2.78 0.98 0
assign (resid 13 and name H ) (resid 13 and name HB1 ) 3.86 2.06 0
assign (resid 13 and name HA ) (resid 13 and name HG ) 3.94 2.14 0
assign (resid 16 and name HA ) (resid 16 and name HE* ) 4.99 3.19 0
assign (resid 21 and name HA ) (resid 21 and name HE* ) 4.96 3.16 0
assign (resid 21 and name HZ ) (resid 23 and name HB2 ) 4.37 2.57 0
assign (resid 21 and name HD* ) (resid 22 and name H ) 4.21 2.41 0
assign (resid 21 and name HA ) (resid 22 and name H ) 2.74 0.94 0
assign (resid 22 and name HA ) (resid 23 and name H ) 2.99 1.19 0
assign (resid 30 and name HA ) (resid 30 and name HD2 ) 5.29 3.49 0
assign (resid 30 and name HA ) (resid 30 and name HD1 ) 5.29 3.49 0
assign (resid 30 and name HA ) (resid 30 and name HG2 ) 3.49 1.69 0
assign (resid 9 and name HA ) (resid 29 and name H ) 4.99 3.19 0
assign (resid 27 and name HB1 ) (resid 28 and name H ) 4.76 2.96 0
assign (resid 28 and name HA ) (resid 28 and name HG2* ) 3.19 1.39 0
assign (resid 23 and name HB2 ) (resid 27 and name H ) 5.5 3.7 0
assign (resid 27 and name H ) (resid 28 and name HG2* ) 5.09 3.29 0
assign (resid 27 and name HA ) (resid 27 and name HD1 ) 5.1 3.3 0
assign (resid 27 and name HA ) (resid 27 and name HD2 ) 5.1 3.3 0
assign (resid 25 and name H ) (resid 26 and name H ) 3.21 1.41 0
assign (resid 25 and name H ) (resid 25 and name HB1 ) 2.98 1.18 0
assign (resid 25 and name H ) (resid 25 and name HB2 ) 2.98 1.18 0
assign (resid 25 and name H ) (resid 25 and name HD* ) 4.28 2.48 0
assign (resid 25 and name HA ) (resid 25 and name HD* ) 3.52 1.72 0
assign (resid 23 and name HB1 ) (resid 24 and name H ) 4.68 2.88 0
assign (resid 32 and name H ) (resid 32 and name HB2 ) 3.8 2 0
assign (resid 23 and name H ) (resid 28 and name HA ) 4.83 3.03 0
assign (resid 15 and name HA ) (resid 15 and name HG ) 3.81 2.01 0
assign (resid 3 and name HB1 ) (resid 18 and name HA ) 4.88 3.08 0
assign (resid 27 and name HA ) (resid 28 and name H ) 3.32 1.52 0
assign (resid 6 and name HA ) (resid 29 and name HB1 ) 4.16 2.36 0
assign (resid 3 and name HB2 ) (resid 18 and name HA ) 4.88 3.08 0
assign (resid 4 and name HA2 ) (resid 8 and name HB* ) 4.01 2.21 0
assign (resid 26 and name HB ) (resid 28 and name HG2* ) 4.14 2.34 0
assign (resid 9 and name HA ) (resid 28 and name HG2* ) 3.47 1.67 0
assign (resid 23 and name HB1 ) (resid 30 and name HG1 ) 4.02 2.22 0
assign (resid 25 and name HB1 ) (resid 26 and name HG2* ) 4.37 2.57 0
assign (resid 25 and name HB2 ) (resid 26 and name HG2* ) 4.37 2.57 0
assign (resid 2 and name HB1 ) (resid 15 and name HD1* ) 3.52 1.72 0
assign (resid 23 and name HB2 ) (resid 30 and name HG1 ) 4 2.2 0
assign (resid 23 and name HB2 ) (resid 30 and name HB2 ) 4.52 2.72 0
assign (resid 9 and name HG2* ) (resid 28 and name HA ) 4.77 2.97 0
assign (resid 4 and name HA2 ) (resid 15 and name HD1* ) 3.51 1.71 0
assign (resid 23 and name HB2 ) (resid 30 and name HE2 ) 5.5 3.7 0
assign (resid 23 and name HB2 ) (resid 30 and name HE1 ) 5.5 3.7 0
assign (resid 8 and name HB* ) (resid 28 and name HB ) 5.42 3.62 0
assign (resid 28 and name HA ) (resid 29 and name HB2 ) 5.5 3.7 0
assign (resid 10 and name HB2 ) (resid 28 and name HA ) 5.5 3.7 0
assign (resid 10 and name HB1 ) (resid 28 and name HA ) 5.5 3.7 0
assign (resid 23 and name HB2 ) (resid 29 and name HA ) 5.39 3.59 0
assign (resid 28 and name HA ) (resid 29 and name HB1 ) 5.5 3.7 0
assign (resid 17 and name H ) (resid 21 and name H ) 5.5 3.7 0
assign (resid 8 and name HB* ) (resid 28 and name HA ) 5.21 3.41 0
assign (resid 27 and name HA ) (resid 28 and name HA ) 4.61 2.81 0
assign (resid 21 and name HD* ) (resid 32 and name HA ) 4.17 2.37 0
assign (resid 21 and name HZ ) (resid 23 and name HA ) 3.84 2.04 0
assign (resid 21 and name HE* ) (resid 23 and name HA ) 3.7 1.9 0
assign (resid 21 and name HE* ) (resid 32 and name HA ) 4.51 2.71 0
assign (resid 25 and name HA ) (resid 25 and name HE* ) 4.98 3.18 0
assign (resid 21 and name HZ ) (resid 30 and name HB2 ) 4.7 2.9 0
assign (resid 21 and name HZ ) (resid 30 and name HB1 ) 5.14 3.34 0
assign (resid 21 and name HZ ) (resid 30 and name HG1 ) 5.5 3.7 0
assign (resid 2 and name HA ) (resid 2 and name HD1 ) 5.01 3.21 0
assign (resid 16 and name H ) (resid 16 and name HE* ) 5.5 3.7 0
assign (resid 9 and name H ) (resid 28 and name HA ) 5.43 3.63 0
assign (resid 8 and name HB* ) (resid 29 and name HA ) 5.5 3.7 0
assign (resid 29 and name HA ) (resid 30 and name HG1 ) 5.5 3.7 0
assign (resid 7 and name H ) (resid 29 and name HA ) 5.5 3.7 0
assign (resid 7 and name H ) (resid 28 and name HA ) 5.5 3.7 0
assign (resid 23 and name H ) (resid 30 and name HB1 ) 5.5 3.7 0
assign (resid 22 and name H ) (resid 29 and name HA ) 5.5 3.7 0
assign (resid 27 and name H ) (resid 28 and name HA ) 5.41 3.61 0
assign (resid 17 and name HA ) (resid 21 and name H ) 5.5 3.7 0
assign (resid 17 and name HB2 ) (resid 22 and name H ) 5.5 3.7 0
assign (resid 21 and name HB1 ) (resid 22 and name H ) 4.49 2.69 0
assign (resid 17 and name H ) (resid 18 and name H ) 4.71 2.91 0
assign (resid 12 and name HB1 ) (resid 12 and name QZ ) 5.5 3.7 0
assign (resid 12 and name HB2 ) (resid 12 and name QZ ) 5.5 3.7 0
assign (resid 15 and name HG ) (resid 16 and name H ) 4.72 2.92 0
assign (resid 25 and name H ) (resid 26 and name HG2* ) 5.02 3.22 0
assign (resid 24 and name HA ) (resid 25 and name H ) 3.54 1.74 0
assign (resid 25 and name HB1 ) (resid 26 and name H ) 3.59 1.79 0
assign (resid 23 and name HB2 ) (resid 26 and name H ) 4.83 3.03 0
assign (resid 26 and name H ) (resid 27 and name HA ) 4.4 2.6 0
assign (resid 25 and name HA ) (resid 26 and name HG2* ) 4.98 3.18 0
assign (resid 9 and name HG2* ) (resid 10 and name HA ) 4.51 2.71 0
assign (resid 26 and name H ) (resid 28 and name H ) 4.96 3.16 0
assign (resid 24 and name HA ) (resid 26 and name H ) 4.94 3.14 0
assign (resid 27 and name HB2 ) (resid 28 and name H ) 4.76 2.96 0
assign (resid 27 and name HG2 ) (resid 27 and name QZ ) 5.5 3.7 0
assign (resid 27 and name HG1 ) (resid 27 and name QZ ) 5.5 3.7 0
assign (resid 27 and name HB2 ) (resid 27 and name QZ ) 5.5 3.7 0
assign (resid 27 and name HB1 ) (resid 27 and name QZ ) 5.5 3.7 0
assign (resid 21 and name HE* ) (resid 23 and name HB1 ) 5.24 3.44 0
assign (resid 23 and name HB2 ) (resid 30 and name HB1 ) 5.39 3.59 0
assign (resid 21 and name HZ ) (resid 32 and name HA ) 5.5 3.7 0
assign (resid 21 and name HZ ) (resid 23 and name HB1 ) 5.34 3.54 0
assign (resid 21 and name HE* ) (resid 24 and name H ) 5.49 3.69 0
assign (resid 21 and name HE* ) (resid 31 and name H ) 5.5 3.7 0
assign (resid 21 and name HZ ) (resid 23 and name H ) 5.5 3.7 0
assign (resid 21 and name HE* ) (resid 23 and name H ) 5.5 3.7 0
assign (resid 21 and name HE* ) (resid 21 and name HZ ) 2.4 0.6 0
assign (resid 21 and name HD* ) (resid 21 and name HZ ) 3.91 2.11 0
assign (resid 22 and name HA ) (resid 30 and name H ) 4.68 2.88 0
assign (resid 9 and name HA ) (resid 28 and name HA ) 3.24 1.44 0
assign (resid 22 and name HA ) (resid 29 and name HA ) 4.34 2.54 0
assign (resid 30 and name HA ) (resid 30 and name HE2 ) 5.5 3.7 0
assign (resid 30 and name HA ) (resid 30 and name HE1 ) 5.5 3.7 0
assign (resid 30 and name HB2 ) (resid 30 and name HG1 ) 2.46 0.66 0
assign (resid 30 and name HE2 ) (resid 31 and name H ) 5.5 3.7 0
assign (resid 30 and name HE1 ) (resid 31 and name H ) 5.5 3.7 0
assign (resid 31 and name H ) (resid 31 and name HA ) 2.92 1.12 0
assign (resid 32 and name HB2 ) (resid 32 and name QZ ) 5.5 3.7 0
assign (resid 32 and name HB1 ) (resid 32 and name QZ ) 5.5 3.7 0
assign (resid 12 and name H ) (resid 13 and name H ) 4.51 2.71 0
assign (resid 1 and name QA ) (resid 2 and name H ) 3.09 1.29 0
assign (resid 2 and name H ) (resid 2 and name HB* ) 3.64 1.84 0
assign (resid 2 and name H ) (resid 15 and name QQD ) 5.31 3.51 0
assign (resid 2 and name HB* ) (resid 2 and name HE3 ) 3.41 1.61 0
assign (resid 2 and name HB* ) (resid 2 and name HZ3 ) 4.99 3.19 0
assign (resid 2 and name HB* ) (resid 4 and name H ) 5.34 3.54 0
assign (resid 2 and name HB2 ) (resid 15 and name HD1* ) 3.52 1.72 0
assign (resid 2 and name HB2 ) (resid 15 and name HD2* ) 3.52 1.72 0
assign (resid 2 and name HB1 ) (resid 15 and name HD2* ) 3.52 1.72 0
assign (resid 2 and name HD1 ) (resid 15 and name QQD ) 5.44 3.64 0
assign (resid 2 and name HE3 ) (resid 15 and name QQD ) 5.44 3.64 0
assign (resid 2 and name HE1 ) (resid 15 and name QQD ) 5.44 3.64 0
assign (resid 2 and name HZ3 ) (resid 15 and name QQD ) 5.44 3.64 0
assign (resid 2 and name HH2 ) (resid 15 and name QQD ) 5.44 3.64 0
assign (resid 3 and name H ) (resid 15 and name QQD ) 5.44 3.64 0
assign (resid 3 and name HA ) (resid 15 and name QQD ) 3.96 2.16 0
assign (resid 3 and name HB* ) (resid 4 and name H ) 3.64 1.84 0
assign (resid 3 and name HB* ) (resid 18 and name H ) 3.47 1.67 0
assign (resid 3 and name HB* ) (resid 18 and name HA ) 4.05 2.25 0
assign (resid 4 and name H ) (resid 15 and name QQD ) 5.17 3.37 0
assign (resid 4 and name QA ) (resid 5 and name H ) 3.07 1.27 0
assign (resid 4 and name QA ) (resid 8 and name HB* ) 3.39 1.59 0
assign (resid 4 and name HA2 ) (resid 15 and name HD2* ) 3.51 1.71 0
assign (resid 4 and name HA1 ) (resid 15 and name HD1* ) 3.51 1.71 0
assign (resid 4 and name HA1 ) (resid 15 and name HD2* ) 3.51 1.71 0
assign (resid 5 and name H ) (resid 5 and name HB* ) 3.1 1.3 0
assign (resid 5 and name H ) (resid 15 and name QQD ) 5.44 3.64 0
assign (resid 5 and name HB* ) (resid 8 and name H ) 3.91 2.11 0
assign (resid 5 and name HB* ) (resid 8 and name HB* ) 4.21 2.41 0
assign (resid 7 and name H ) (resid 29 and name HB* ) 3.41 1.61 0
assign (resid 7 and name QA ) (resid 28 and name HA ) 5.34 3.54 0
assign (resid 7 and name QA ) (resid 28 and name HG2* ) 3.86 2.06 0
assign (resid 7 and name QA ) (resid 29 and name H ) 5.02 3.22 0
assign (resid 8 and name H ) (resid 29 and name HB* ) 3.61 1.81 0
assign (resid 10 and name H ) (resid 10 and name HB* ) 3.43 1.63 0
assign (resid 10 and name H ) (resid 27 and name HB* ) 4.3 2.5 0
assign (resid 10 and name HB* ) (resid 11 and name H ) 3.46 1.66 0
assign (resid 10 and name HB* ) (resid 28 and name HA ) 4.67 2.87 0
assign (resid 10 and name HB* ) (resid 29 and name H ) 5.34 3.54 0
assign (resid 11 and name QA ) (resid 12 and name H ) 3.01 1.21 0
assign (resid 12 and name H ) (resid 12 and name HB* ) 3.13 1.33 0
assign (resid 12 and name H ) (resid 12 and name HG* ) 4.33 2.53 0
assign (resid 12 and name H ) (resid 12 and name HD* ) 4.64 2.84 0
assign (resid 12 and name H ) (resid 13 and name QQD ) 5.44 3.64 0
assign (resid 12 and name HA ) (resid 12 and name HG* ) 3.72 1.92 0
assign (resid 12 and name HA ) (resid 12 and name HD* ) 4.55 2.75 0
assign (resid 12 and name HA ) (resid 12 and name HE* ) 4.66 2.86 0
assign (resid 12 and name HG* ) (resid 12 and name QZ ) 5.34 3.54 0
assign (resid 13 and name H ) (resid 13 and name HB* ) 3.29 1.49 0
assign (resid 13 and name H ) (resid 13 and name QQD ) 4.15 2.35 0
assign (resid 13 and name HA ) (resid 13 and name QQD ) 3.17 1.37 0
assign (resid 13 and name HB* ) (resid 14 and name H ) 4.37 2.57 0
assign (resid 13 and name QQD ) (resid 14 and name H ) 4.82 3.02 0
assign (resid 14 and name H ) (resid 14 and name HB* ) 3.23 1.43 0
assign (resid 14 and name H ) (resid 14 and name HG* ) 4.09 2.29 0
assign (resid 14 and name H ) (resid 14 and name HD* ) 5.06 3.26 0
assign (resid 14 and name HA ) (resid 14 and name HG* ) 3.45 1.65 0
assign (resid 14 and name HA ) (resid 14 and name HD* ) 4.52 2.72 0
assign (resid 14 and name HB* ) (resid 14 and name HE ) 4.17 2.37 0
assign (resid 14 and name HB* ) (resid 15 and name H ) 3.4 1.6 0
assign (resid 14 and name HG* ) (resid 15 and name H ) 3.57 1.77 0
assign (resid 14 and name HD* ) (resid 15 and name H ) 4.74 2.94 0
assign (resid 15 and name H ) (resid 15 and name HB* ) 2.95 1.15 0
assign (resid 15 and name H ) (resid 15 and name QQD ) 4.47 2.67 0
assign (resid 15 and name HA ) (resid 15 and name QQD ) 3.07 1.27 0
assign (resid 15 and name HB* ) (resid 16 and name H ) 3.78 1.98 0
assign (resid 15 and name HB* ) (resid 16 and name HA ) 4.88 3.08 0
assign (resid 15 and name QQD ) (resid 16 and name H ) 3.94 2.14 0
assign (resid 15 and name QQD ) (resid 16 and name HD* ) 4.82 3.02 0
assign (resid 15 and name QQD ) (resid 16 and name HE* ) 5.44 3.64 0
assign (resid 17 and name H ) (resid 20 and name QA ) 4.65 2.85 0
assign (resid 17 and name HB2 ) (resid 20 and name QA ) 5.28 3.48 0
assign (resid 18 and name H ) (resid 18 and name HB* ) 3.25 1.45 0
assign (resid 18 and name H ) (resid 19 and name HB* ) 5.24 3.44 0
assign (resid 18 and name HB* ) (resid 19 and name H ) 3.38 1.58 0
assign (resid 19 and name H ) (resid 19 and name HB* ) 3.14 1.34 0
assign (resid 19 and name HA ) (resid 19 and name HB* ) 2.59 0.79 0
assign (resid 21 and name HD* ) (resid 30 and name HD* ) 5.34 3.54 0
assign (resid 21 and name HD* ) (resid 32 and name HB* ) 4.53 2.73 0
assign (resid 21 and name HD* ) (resid 32 and name HG* ) 4.51 2.71 0
assign (resid 21 and name HE* ) (resid 30 and name HD* ) 4.05 2.25 0
assign (resid 21 and name HE* ) (resid 32 and name HG* ) 5.2 3.4 0
assign (resid 21 and name HZ ) (resid 30 and name HD* ) 4.51 2.71 0
assign (resid 22 and name H ) (resid 22 and name HB* ) 2.94 1.14 0
assign (resid 23 and name HB2 ) (resid 30 and name HD* ) 3.87 2.07 0
assign (resid 23 and name HB1 ) (resid 30 and name HD* ) 4.63 2.83 0
assign (resid 24 and name H ) (resid 24 and name HB* ) 3.01 1.21 0
assign (resid 24 and name H ) (resid 25 and name HB* ) 4.96 3.16 0
assign (resid 24 and name HA ) (resid 24 and name HB* ) 2.37 0.57 0
assign (resid 25 and name HB* ) (resid 26 and name H ) 3.09 1.29 0
assign (resid 25 and name HB* ) (resid 26 and name HG2* ) 3.63 1.83 0
assign (resid 27 and name H ) (resid 27 and name HG* ) 3.41 1.61 0
assign (resid 27 and name H ) (resid 27 and name HD* ) 3.75 1.95 0
assign (resid 27 and name H ) (resid 27 and name HE* ) 4.7 2.9 0
assign (resid 27 and name HA ) (resid 27 and name HG* ) 3.51 1.71 0
assign (resid 27 and name HG* ) (resid 28 and name H ) 4.83 3.03 0
assign (resid 28 and name HA ) (resid 29 and name HB* ) 4.76 2.96 0
assign (resid 29 and name H ) (resid 29 and name HB* ) 3.04 1.24 0
assign (resid 29 and name HB* ) (resid 30 and name H ) 3.82 2.02 0
assign (resid 30 and name H ) (resid 30 and name HD* ) 5.34 3.54 0
assign (resid 30 and name H ) (resid 30 and name HE* ) 5.34 3.54 0
assign (resid 30 and name HA ) (resid 30 and name HD* ) 4.54 2.74 0
assign (resid 30 and name HA ) (resid 30 and name HE* ) 4.75 2.95 0
assign (resid 30 and name HB1 ) (resid 30 and name HD* ) 2.73 0.93 0
assign (resid 30 and name HB1 ) (resid 30 and name HE* ) 4.23 2.43 0
assign (resid 30 and name HG2 ) (resid 30 and name HE* ) 3.71 1.91 0
assign (resid 30 and name HD* ) (resid 31 and name H ) 4.47 2.67 0
assign (resid 30 and name HE* ) (resid 31 and name H ) 4.83 3.03 0
assign (resid 31 and name H ) (resid 31 and name HB* ) 3.01 1.21 0
assign (resid 31 and name HB* ) (resid 32 and name H ) 3.96 2.16 0
assign (resid 31 and name HB* ) (resid 32 and name HA ) 5.34 3.54 0
assign (resid 32 and name H ) (resid 32 and name HB* ) 3.19 1.39 0
assign (resid 32 and name H ) (resid 32 and name HG* ) 3.84 2.04 0
assign (resid 32 and name H ) (resid 32 and name HD* ) 4.73 2.93 0
assign (resid 32 and name HA ) (resid 32 and name HD* ) 4.64 2.84 0
assign (resid 32 and name HA ) (resid 32 and name HE* ) 5.34 3.54 0
assign (resid 32 and name HG* ) (resid 33 and name H ) 4.88 3.08 0
assign (resid 33 and name H ) (resid 33 and name HB* ) 3.28 1.48 0
assign (resid 34 and name H ) (resid 34 and name HB* ) 3.68 1.88 0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           1HT      GLY   1 -15.396   5.841  -2.232
    2    H2   GLY   1           2HT      GLY   1 -15.698   6.411  -3.796
    3    H3   GLY   1           3HT      GLY   1 -15.091   7.460  -2.618
    4    HA2  GLY   1           1HA      GLY   1 -13.667   5.118  -3.759
    5    HA3  GLY   1           2HA      GLY   1 -13.349   6.800  -4.158
    6    H    TRP   2           H        TRP   2 -12.759   4.231  -1.981
    7    HA   TRP   2           HA       TRP   2 -11.422   5.953  -0.028
    8    HB2  TRP   2           2HB      TRP   2 -12.012   2.982  -0.001
    9    HB3  TRP   2           1HB      TRP   2 -11.140   3.828   1.272
   10    HD1  TRP   2           HD       TRP   2 -12.553   5.443   2.873
   11    HE1  TRP   2           1HE      TRP   2 -15.068   5.573   3.396
   12    HE3  TRP   2           3HE      TRP   2 -14.357   2.687  -1.050
   13    HZ2  TRP   2           2HZ      TRP   2 -17.491   4.639   2.300
   14    HZ3  TRP   2           3HZ      TRP   2 -16.787   2.356  -1.234
   15    HH2  TRP   2           HH       TRP   2 -18.320   3.312   0.408
   16    H    CYS   3           H        CYS   3  -9.246   5.488   0.667
   17    HA   CYS   3           HA       CYS   3  -7.582   4.150  -1.362
   18    HB2  CYS   3           2HB      CYS   3  -7.391   6.591  -1.608
   19    HB3  CYS   3           1HB      CYS   3  -6.940   6.733   0.085
   20    H    GLY   4           H        GLY   4  -5.574   3.281  -0.593
   21    HA2  GLY   4           2HA      GLY   4  -5.794   2.218   2.107
   22    HA3  GLY   4           1HA      GLY   4  -4.650   1.714   0.873
   23    H    ASP   5           H        ASP   5  -4.701   2.862   3.819
   24    HA   ASP   5           HA       ASP   5  -2.774   5.029   3.584
   25    HB2  ASP   5           2HB      ASP   5  -4.208   3.742   5.902
   26    HB3  ASP   5           1HB      ASP   5  -2.905   4.896   6.152
   27    HA   HYP   6           HA       HYP   6   1.015   2.719   4.052
   28    HB2  HYP   6           2HB      HYP   6   2.221   4.127   6.159
   29    HB3  HYP   6           1HB      HYP   6   2.355   4.525   4.435
   30    HG   HYP   6           2HG      HYP   6   0.611   5.737   6.523
   31   HD22  HYP   6          1HD       HYP   6  -0.233   5.802   3.639
   32   HD23  HYP   6          2HD       HYP   6  -1.222   5.955   5.105
   33    HD1  HYP   6           1HG      HYP   6   2.193   7.038   5.583
   34    H    GLY   7           H        GLY   7   1.469   0.858   5.007
   35    HA2  GLY   7           2HA      GLY   7   2.022  -0.371   7.045
   36    HA3  GLY   7           1HA      GLY   7   0.682   0.454   7.826
   37    H    ALA   8           H        ALA   8  -0.420  -0.206   4.828
   38    HA   ALA   8           HA       ALA   8  -1.837  -2.605   5.718
   39    HB1  ALA   8           1HB      ALA   8  -2.352  -0.815   3.341
   40    HB2  ALA   8           2HB      ALA   8  -3.170  -0.719   4.900
   41    HB3  ALA   8           3HB      ALA   8  -3.378  -2.144   3.882
   42    H    THR   9           H        THR   9  -2.057  -4.454   4.359
   43    HA   THR   9           HA       THR   9   0.364  -5.118   2.944
   44    HB   THR   9           HB       THR   9  -0.529  -6.818   4.388
   45    HG1  THR   9           1HG      THR   9  -0.757  -8.543   2.802
   46   HG21  THR   9          3HG2      THR   9  -2.678  -7.961   3.918
   47   HG22  THR   9          1HG2      THR   9  -3.032  -6.737   2.698
   48   HG23  THR   9          2HG2      THR   9  -2.890  -6.277   4.394
   49    H    CYS  10           H        CYS  10   0.718  -4.920   0.849
   50    HA   CYS  10           HA       CYS  10  -1.579  -4.597  -0.970
   51    HB2  CYS  10           2HB      CYS  10  -0.080  -2.627  -0.782
   52    HB3  CYS  10           1HB      CYS  10   1.262  -3.619  -1.339
   53    H    GLY  11           H        GLY  11  -1.840  -5.954  -2.639
   54    HA2  GLY  11           2HA      GLY  11  -0.368  -7.226  -4.361
   55    HA3  GLY  11           1HA      GLY  11   0.112  -8.132  -2.935
   56    H    LYS  12           H        LYS  12  -1.748  -9.068  -1.654
   57    HA   LYS  12           HA       LYS  12  -3.583 -10.377  -3.523
   58    HB2  LYS  12           2HB      LYS  12  -2.659 -11.067  -0.740
   59    HB3  LYS  12           1HB      LYS  12  -3.993 -11.905  -1.517
   60    HG2  LYS  12           2HG      LYS  12  -2.512 -12.617  -3.318
   61    HG3  LYS  12           1HG      LYS  12  -1.170 -11.758  -2.559
   62    HD2  LYS  12           2HD      LYS  12  -1.380 -13.191  -0.580
   63    HD3  LYS  12           1HD      LYS  12  -2.715 -14.053  -1.350
   64    HE2  LYS  12           2HE      LYS  12  -1.216 -14.766  -3.146
   65    HE3  LYS  12           1HE      LYS  12   0.116 -13.897  -2.385
   66    HZ1  LYS  12           3HZ      LYS  12  -1.367 -16.177  -1.190
   67    HZ2  LYS  12           1HZ      LYS  12  -0.085 -15.346  -0.462
   68    HZ3  LYS  12           2HZ      LYS  12   0.182 -16.254  -1.864
   69    H    LEU  13           H        LEU  13  -3.595  -7.944  -1.145
   70    HA   LEU  13           HA       LEU  13  -6.420  -8.274  -0.478
   71    HB2  LEU  13           2HB      LEU  13  -4.506  -7.630   1.158
   72    HB3  LEU  13           1HB      LEU  13  -4.663  -6.028   0.468
   73    HG   LEU  13           HG       LEU  13  -7.215  -6.378   1.112
   74   HD11  LEU  13          1HD1      LEU  13  -6.953  -8.666   1.902
   75   HD12  LEU  13          2HD1      LEU  13  -7.440  -7.597   3.218
   76   HD13  LEU  13          3HD1      LEU  13  -5.764  -8.129   3.091
   77   HD21  LEU  13          3HD2      LEU  13  -5.059  -5.660   3.093
   78   HD22  LEU  13          1HD2      LEU  13  -6.765  -5.232   3.223
   79   HD23  LEU  13          2HD2      LEU  13  -5.788  -4.574   1.910
   80    H    ARG  14           H        ARG  14  -7.817  -6.299  -0.537
   81    HA   ARG  14           HA       ARG  14  -7.797  -5.157  -3.178
   82    HB2  ARG  14           2HB      ARG  14  -9.677  -4.958  -0.828
   83    HB3  ARG  14           1HB      ARG  14  -9.915  -4.007  -2.286
   84    HG2  ARG  14           2HG      ARG  14 -10.054  -6.069  -3.603
   85    HG3  ARG  14           1HG      ARG  14  -9.838  -7.014  -2.127
   86    HD2  ARG  14           2HD      ARG  14 -11.892  -6.059  -1.212
   87    HD3  ARG  14           1HD      ARG  14 -12.104  -5.099  -2.676
   88    HE   ARG  14           HE       ARG  14 -11.895  -7.832  -3.345
   89   HH11  ARG  14          1HH1      ARG  14 -14.171  -5.589  -1.887
   90   HH12  ARG  14          2HH1      ARG  14 -15.558  -6.511  -2.361
   91   HH21  ARG  14          1HH2      ARG  14 -13.726  -9.020  -3.957
   92   HH22  ARG  14          2HH2      ARG  14 -15.305  -8.450  -3.532
   93    H    LEU  15           H        LEU  15  -8.705  -2.665  -3.089
   94    HA   LEU  15           HA       LEU  15  -8.235  -0.465  -2.865
   95    HB2  LEU  15           2HB      LEU  15  -7.266  -1.473  -0.243
   96    HB3  LEU  15           1HB      LEU  15  -6.720   0.117  -0.737
   97    HG   LEU  15           HG       LEU  15  -9.648  -0.549  -0.754
   98   HD11  LEU  15          1HD1      LEU  15  -8.932  -1.152   1.462
   99   HD12  LEU  15          2HD1      LEU  15  -9.769   0.401   1.530
  100   HD13  LEU  15          3HD1      LEU  15  -8.007   0.343   1.610
  101   HD21  LEU  15          3HD2      LEU  15  -8.958   1.513  -1.842
  102   HD22  LEU  15          1HD2      LEU  15  -8.086   2.008  -0.390
  103   HD23  LEU  15          2HD2      LEU  15  -9.844   1.870  -0.360
  104    H    TYR  16           H        TYR  16  -6.724   1.015  -3.499
  105    HA   TYR  16           HA       TYR  16  -4.109  -0.100  -4.262
  106    HB2  TYR  16           2HB      TYR  16  -5.800   2.071  -5.513
  107    HB3  TYR  16           1HB      TYR  16  -4.125   1.782  -5.970
  108    HD1  TYR  16           2HD      TYR  16  -3.504  -0.206  -7.229
  109    HD2  TYR  16           1HD      TYR  16  -7.551   0.502  -6.124
  110    HE1  TYR  16           2HE      TYR  16  -4.235  -1.921  -8.832
  111    HE2  TYR  16           1HE      TYR  16  -8.293  -1.213  -7.724
  112    HH   TYR  16           HH       TYR  16  -6.163  -3.406  -9.188
  113    H    CYS  17           H        CYS  17  -2.361   1.626  -4.491
  114    HA   CYS  17           HA       CYS  17  -2.096   3.002  -1.965
  115    HB2  CYS  17           2HB      CYS  17  -0.334   1.870  -3.874
  116    HB3  CYS  17           1HB      CYS  17   0.063   3.579  -3.755
  117    H    CYS  18           H        CYS  18  -2.059   5.158  -1.592
  118    HA   CYS  18           HA       CYS  18  -3.405   6.922  -3.340
  119    HB2  CYS  18           2HB      CYS  18  -2.043   7.140  -0.714
  120    HB3  CYS  18           1HB      CYS  18  -2.267   8.635  -1.614
  121    H    SER  19           H        SER  19   0.017   6.367  -2.727
  122    HA   SER  19           HA       SER  19   0.811   8.574  -4.467
  123    HB2  SER  19           2HB      SER  19   2.484   6.618  -2.870
  124    HB3  SER  19           1HB      SER  19   3.113   7.991  -3.780
  125    HG   SER  19           HG       SER  19   2.388   9.332  -2.293
  126    H    GLY  20           H        GLY  20   0.554   5.099  -4.477
  127    HA2  GLY  20           2HA      GLY  20   0.363   3.820  -6.460
  128    HA3  GLY  20           1HA      GLY  20   1.253   5.065  -7.322
  129    H    PHE  21           H        PHE  21   2.201   3.511  -4.276
  130    HA   PHE  21           HA       PHE  21   4.276   1.997  -5.671
  131    HB2  PHE  21           2HB      PHE  21   5.479   3.990  -5.129
  132    HB3  PHE  21           1HB      PHE  21   4.802   4.048  -3.510
  133    HD1  PHE  21           2HD      PHE  21   6.818   1.657  -5.597
  134    HD2  PHE  21           1HD      PHE  21   6.225   3.498  -1.800
  135    HE1  PHE  21           2HE      PHE  21   8.782   0.466  -4.709
  136    HE2  PHE  21           1HE      PHE  21   8.187   2.309  -0.918
  137    HZ   PHE  21           HZ       PHE  21   9.464   0.797  -2.368
  138    H    CYS  22           H        CYS  22   4.037  -0.013  -5.099
  139    HA   CYS  22           HA       CYS  22   3.334  -0.668  -2.316
  140    HB2  CYS  22           2HB      CYS  22   2.612  -2.002  -4.913
  141    HB3  CYS  22           1HB      CYS  22   2.618  -2.918  -3.409
  142    H    ASP  23           H        ASP  23   4.925  -1.540  -1.176
  143    HA   ASP  23           HA       ASP  23   7.360  -2.426  -2.443
  144    HB2  ASP  23           2HB      ASP  23   6.636  -1.415   0.101
  145    HB3  ASP  23           1HB      ASP  23   7.316  -3.020   0.366
  146    H    SER  24           H        SER  24   7.801  -4.407  -3.067
  147    HA   SER  24           HA       SER  24   6.055  -6.619  -2.362
  148    HB2  SER  24           2HB      SER  24   6.773  -6.179  -4.721
  149    HB3  SER  24           1HB      SER  24   8.417  -6.610  -4.252
  150    HG   SER  24           HG       SER  24   7.301  -8.390  -5.145
  151    H    TYR  25           H        TYR  25   8.897  -5.333  -1.126
  152    HA   TYR  25           HA       TYR  25  10.263  -7.761  -0.420
  153    HB2  TYR  25           2HB      TYR  25  11.174  -5.303  -0.655
  154    HB3  TYR  25           1HB      TYR  25  10.697  -5.175   1.033
  155    HD1  TYR  25           2HD      TYR  25  13.015  -6.746  -1.329
  156    HD2  TYR  25           1HD      TYR  25  11.875  -6.418   2.757
  157    HE1  TYR  25           2HE      TYR  25  15.134  -7.799  -0.660
  158    HE2  TYR  25           1HE      TYR  25  13.992  -7.469   3.437
  159    HH   TYR  25           HH       TYR  25  16.600  -7.897   1.309
  160    H    THR  26           H        THR  26   7.649  -5.972   0.884
  161    HA   THR  26           HA       THR  26   7.537  -7.749   3.215
  162    HB   THR  26           HB       THR  26   6.678  -5.795   4.585
  163    HG1  THR  26           1HG      THR  26   7.443  -3.716   3.812
  164   HG21  THR  26          3HG2      THR  26   9.555  -5.686   3.666
  165   HG22  THR  26          1HG2      THR  26   8.911  -6.721   4.942
  166   HG23  THR  26          2HG2      THR  26   8.922  -4.970   5.149
  167    H    LYS  27           H        LYS  27   6.072  -6.602   0.500
  168    HA   LYS  27           HA       LYS  27   3.994  -6.605  -0.398
  169    HB2  LYS  27           2HB      LYS  27   3.561  -8.608   1.822
  170    HB3  LYS  27           1HB      LYS  27   2.318  -8.231   0.639
  171    HG2  LYS  27           2HG      LYS  27   3.802  -8.967  -1.158
  172    HG3  LYS  27           1HG      LYS  27   5.051  -9.345   0.030
  173    HD2  LYS  27           2HD      LYS  27   3.562 -10.988   1.069
  174    HD3  LYS  27           1HD      LYS  27   2.313 -10.608  -0.117
  175    HE2  LYS  27           2HE      LYS  27   3.799 -11.356  -1.914
  176    HE3  LYS  27           1HE      LYS  27   5.043 -11.739  -0.725
  177    HZ1  LYS  27           3HZ      LYS  27   3.556 -13.373   0.252
  178    HZ2  LYS  27           1HZ      LYS  27   3.813 -13.708  -1.386
  179    HZ3  LYS  27           2HZ      LYS  27   2.359 -13.003  -0.885
  180    H    THR  28           H        THR  28   4.373  -4.358   0.868
  181    HA   THR  28           HA       THR  28   1.760  -3.736   2.055
  182    HB   THR  28           HB       THR  28   2.943  -2.169   3.680
  183    HG1  THR  28           1HG      THR  28   5.060  -2.845   2.424
  184   HG21  THR  28          3HG2      THR  28   3.258  -5.152   4.030
  185   HG22  THR  28          1HG2      THR  28   1.855  -4.180   4.474
  186   HG23  THR  28          2HG2      THR  28   3.382  -3.966   5.329
  187    H    CYS  29           H        CYS  29   1.289  -1.408   2.094
  188    HA   CYS  29           HA       CYS  29   2.163  -0.143  -0.365
  189    HB2  CYS  29           2HB      CYS  29  -0.192  -0.108   1.240
  190    HB3  CYS  29           1HB      CYS  29   0.414   1.541   1.135
  191    H    LYS  30           H        LYS  30   3.653   1.397  -0.517
  192    HA   LYS  30           HA       LYS  30   4.361   2.967   1.871
  193    HB2  LYS  30           2HB      LYS  30   6.264   1.548   0.005
  194    HB3  LYS  30           1HB      LYS  30   6.773   2.823   1.102
  195    HG2  LYS  30           2HG      LYS  30   5.779   1.372   2.959
  196    HG3  LYS  30           1HG      LYS  30   5.753   0.082   1.754
  197    HD2  LYS  30           2HD      LYS  30   8.160   0.346   1.416
  198    HD3  LYS  30           1HD      LYS  30   8.190   1.643   2.612
  199    HE2  LYS  30           2HE      LYS  30   7.429   0.074   4.329
  200    HE3  LYS  30           1HE      LYS  30   7.396  -1.221   3.132
  201    HZ1  LYS  30           3HZ      LYS  30   9.413  -1.294   4.451
  202    HZ2  LYS  30           1HZ      LYS  30   9.810   0.284   3.986
  203    HZ3  LYS  30           2HZ      LYS  30   9.781  -0.955   2.835
  204    H    ASP  31           H        ASP  31   5.457   4.987   1.413
  205    HA   ASP  31           HA       ASP  31   4.454   6.241  -1.015
  206    HB2  ASP  31           2HB      ASP  31   5.745   7.347   1.483
  207    HB3  ASP  31           1HB      ASP  31   5.339   8.349   0.093
  208    H    LYS  32           H        LYS  32   5.707   7.201  -2.587
  209    HA   LYS  32           HA       LYS  32   8.468   6.262  -2.747
  210    HB2  LYS  32           2HB      LYS  32   6.360   6.795  -4.642
  211    HB3  LYS  32           1HB      LYS  32   7.814   7.675  -5.088
  212    HG2  LYS  32           2HG      LYS  32   9.094   5.594  -5.029
  213    HG3  LYS  32           1HG      LYS  32   7.631   4.711  -4.584
  214    HD2  LYS  32           2HD      LYS  32   6.586   5.345  -6.690
  215    HD3  LYS  32           1HD      LYS  32   8.008   6.293  -7.129
  216    HE2  LYS  32           2HE      LYS  32   8.127   3.341  -6.555
  217    HE3  LYS  32           1HE      LYS  32   7.819   3.986  -8.166
  218    HZ1  LYS  32           3HZ      LYS  32  10.234   4.522  -6.521
  219    HZ2  LYS  32           1HZ      LYS  32   9.940   5.144  -8.067
  220    HZ3  LYS  32           2HZ      LYS  32  10.158   3.481  -7.852
  221    H    SER  33           H        SER  33  10.231   7.600  -3.110
  222    HA   SER  33           HA       SER  33   9.872  10.375  -2.233
  223    HB2  SER  33           2HB      SER  33  12.358  10.302  -1.864
  224    HB3  SER  33           1HB      SER  33  11.450   9.146  -0.892
  225    HG   SER  33           HG       SER  33  12.123   8.027  -3.235
  226    H    SER  34           H        SER  34  10.668  12.114  -3.371
  227    HA   SER  34           HA       SER  34  11.199  11.619  -6.213
  228    HB2  SER  34           2HB      SER  34  10.654  14.058  -6.472
  229    HB3  SER  34           1HB      SER  34   9.326  13.086  -5.840
  230    HG   SER  34           HG       SER  34  11.113  14.478  -4.148
  231    H    ALA  35           H        ALA  35  13.046  12.211  -7.193
  232    HA   ALA  35           HA       ALA  35  15.204  13.235  -5.492
  233    HB1  ALA  35           1HB      ALA  35  15.601  11.091  -6.608
  234    HB2  ALA  35           2HB      ALA  35  16.733  12.327  -7.159
  235    HB3  ALA  35           3HB      ALA  35  15.367  11.864  -8.176
  Start of MODEL    2
    1    H1   GLY   1           1HT      GLY   1 -15.589   3.685  -4.110
    2    H2   GLY   1           2HT      GLY   1 -15.502   4.846  -2.883
    3    H3   GLY   1           3HT      GLY   1 -15.086   3.239  -2.557
    4    HA2  GLY   1           1HA      GLY   1 -13.201   3.388  -4.062
    5    HA3  GLY   1           2HA      GLY   1 -13.631   5.057  -4.399
    6    H    TRP   2           H        TRP   2 -12.243   2.847  -2.108
    7    HA   TRP   2           HA       TRP   2 -11.637   4.997  -0.215
    8    HB2  TRP   2           2HB      TRP   2 -11.239   2.000  -0.030
    9    HB3  TRP   2           1HB      TRP   2 -10.758   3.140   1.219
   10    HD1  TRP   2           HD       TRP   2 -13.839   1.486  -0.300
   11    HE1  TRP   2           1HE      TRP   2 -15.852   1.881   1.252
   12    HE3  TRP   2           3HE      TRP   2 -11.718   4.802   2.980
   13    HZ2  TRP   2           2HZ      TRP   2 -16.465   3.390   3.553
   14    HZ3  TRP   2           3HZ      TRP   2 -13.093   5.670   4.826
   15    HH2  TRP   2           HH       TRP   2 -15.417   4.979   5.105
   16    H    CYS   3           H        CYS   3  -9.468   5.296   0.583
   17    HA   CYS   3           HA       CYS   3  -7.427   4.762  -1.469
   18    HB2  CYS   3           2HB      CYS   3  -8.056   7.169  -0.799
   19    HB3  CYS   3           1HB      CYS   3  -7.203   6.837   0.703
   20    H    GLY   4           H        GLY   4  -5.378   4.015  -0.862
   21    HA2  GLY   4           2HA      GLY   4  -5.378   2.455   1.608
   22    HA3  GLY   4           1HA      GLY   4  -4.260   2.276   0.267
   23    H    ASP   5           H        ASP   5  -4.492   3.167   3.391
   24    HA   ASP   5           HA       ASP   5  -2.570   5.358   3.346
   25    HB2  ASP   5           2HB      ASP   5  -4.143   4.001   5.532
   26    HB3  ASP   5           1HB      ASP   5  -2.861   5.150   5.894
   27    HA   HYP   6           HA       HYP   6   1.162   2.995   3.968
   28    HB2  HYP   6           2HB      HYP   6   2.296   4.360   6.133
   29    HB3  HYP   6           1HB      HYP   6   2.489   4.795   4.424
   30    HG   HYP   6           2HG      HYP   6   0.677   5.966   6.477
   31   HD22  HYP   6          1HD       HYP   6  -0.055   6.117   3.567
   32   HD23  HYP   6          2HD       HYP   6  -1.101   6.227   4.998
   33    HD1  HYP   6           1HG      HYP   6   2.463   7.122   5.466
   34    H    GLY   7           H        GLY   7   1.459   1.088   4.880
   35    HA2  GLY   7           2HA      GLY   7   1.934  -0.199   6.900
   36    HA3  GLY   7           1HA      GLY   7   0.632   0.680   7.687
   37    H    ALA   8           H        ALA   8  -0.215  -0.075   4.528
   38    HA   ALA   8           HA       ALA   8  -1.913  -2.286   5.437
   39    HB1  ALA   8           1HB      ALA   8  -2.110  -0.599   2.942
   40    HB2  ALA   8           2HB      ALA   8  -3.042  -0.366   4.420
   41    HB3  ALA   8           3HB      ALA   8  -3.266  -1.827   3.458
   42    H    THR   9           H        THR   9  -2.159  -4.184   4.162
   43    HA   THR   9           HA       THR   9   0.313  -5.063   2.920
   44    HB   THR   9           HB       THR   9  -2.105  -6.825   3.013
   45    HG1  THR   9           1HG      THR   9  -1.174  -7.272   5.293
   46   HG21  THR   9          3HG2      THR   9   0.821  -7.288   3.621
   47   HG22  THR   9          1HG2      THR   9   0.003  -7.688   2.110
   48   HG23  THR   9          2HG2      THR   9  -0.434  -8.527   3.598
   49    H    CYS  10           H        CYS  10   0.693  -5.012   0.813
   50    HA   CYS  10           HA       CYS  10  -1.565  -4.694  -1.051
   51    HB2  CYS  10           2HB      CYS  10   0.085  -2.847  -1.021
   52    HB3  CYS  10           1HB      CYS  10   1.352  -3.988  -1.456
   53    H    GLY  11           H        GLY  11  -1.998  -6.232  -2.494
   54    HA2  GLY  11           2HA      GLY  11  -0.676  -7.742  -4.149
   55    HA3  GLY  11           1HA      GLY  11  -0.177  -8.532  -2.663
   56    H    LYS  12           H        LYS  12  -2.379  -8.727  -1.175
   57    HA   LYS  12           HA       LYS  12  -4.071 -10.520  -2.755
   58    HB2  LYS  12           2HB      LYS  12  -3.563 -10.253   0.201
   59    HB3  LYS  12           1HB      LYS  12  -4.881 -11.230  -0.431
   60    HG2  LYS  12           2HG      LYS  12  -3.269 -12.588  -1.679
   61    HG3  LYS  12           1HG      LYS  12  -1.952 -11.614  -1.025
   62    HD2  LYS  12           2HD      LYS  12  -2.566 -12.304   1.241
   63    HD3  LYS  12           1HD      LYS  12  -3.892 -13.270   0.589
   64    HE2  LYS  12           2HE      LYS  12  -2.280 -14.641  -0.643
   65    HE3  LYS  12           1HE      LYS  12  -0.959 -13.677   0.013
   66    HZ1  LYS  12           3HZ      LYS  12  -1.584 -14.402   2.233
   67    HZ2  LYS  12           1HZ      LYS  12  -1.247 -15.731   1.244
   68    HZ3  LYS  12           2HZ      LYS  12  -2.850 -15.328   1.602
   69    H    LEU  13           H        LEU  13  -4.193  -7.455  -1.193
   70    HA   LEU  13           HA       LEU  13  -7.104  -7.435  -1.008
   71    HB2  LEU  13           2HB      LEU  13  -4.990  -5.434  -0.224
   72    HB3  LEU  13           1HB      LEU  13  -6.706  -5.089  -0.130
   73    HG   LEU  13           HG       LEU  13  -6.734  -7.291   1.335
   74   HD11  LEU  13          1HD1      LEU  13  -4.711  -7.454   2.722
   75   HD12  LEU  13          2HD1      LEU  13  -3.910  -6.289   1.668
   76   HD13  LEU  13          3HD1      LEU  13  -4.399  -7.860   1.034
   77   HD21  LEU  13          3HD2      LEU  13  -6.473  -5.886   3.327
   78   HD22  LEU  13          1HD2      LEU  13  -7.452  -5.100   2.090
   79   HD23  LEU  13          2HD2      LEU  13  -5.775  -4.612   2.328
   80    H    ARG  14           H        ARG  14  -8.388  -5.775  -1.994
   81    HA   ARG  14           HA       ARG  14  -7.540  -5.190  -4.714
   82    HB2  ARG  14           2HB      ARG  14 -10.180  -4.982  -3.274
   83    HB3  ARG  14           1HB      ARG  14  -9.951  -4.348  -4.897
   84    HG2  ARG  14           2HG      ARG  14  -9.387  -6.565  -5.711
   85    HG3  ARG  14           1HG      ARG  14  -9.532  -7.218  -4.080
   86    HD2  ARG  14           2HD      ARG  14 -11.561  -7.746  -5.156
   87    HD3  ARG  14           1HD      ARG  14 -11.923  -6.377  -4.106
   88    HE   ARG  14           HE       ARG  14 -11.259  -5.375  -6.627
   89   HH11  ARG  14          1HH1      ARG  14 -13.831  -7.279  -5.178
   90   HH12  ARG  14          2HH1      ARG  14 -15.022  -6.747  -6.316
   91   HH21  ARG  14          1HH2      ARG  14 -12.836  -4.693  -8.107
   92   HH22  ARG  14          2HH2      ARG  14 -14.458  -5.285  -7.973
   93    H    LEU  15           H        LEU  15  -7.265  -3.619  -1.816
   94    HA   LEU  15           HA       LEU  15  -7.783  -0.929  -2.799
   95    HB2  LEU  15           2HB      LEU  15  -8.449  -1.554  -0.511
   96    HB3  LEU  15           1HB      LEU  15  -6.784  -1.903  -0.114
   97    HG   LEU  15           HG       LEU  15  -6.247   0.519  -0.437
   98   HD11  LEU  15          1HD1      LEU  15  -9.241   0.809  -0.671
   99   HD12  LEU  15          2HD1      LEU  15  -8.047   1.182  -1.916
  100   HD13  LEU  15          3HD1      LEU  15  -8.100   2.134  -0.433
  101   HD21  LEU  15          3HD2      LEU  15  -6.611  -0.333   1.779
  102   HD22  LEU  15          1HD2      LEU  15  -8.359  -0.187   1.590
  103   HD23  LEU  15          2HD2      LEU  15  -7.354   1.261   1.649
  104    H    TYR  16           H        TYR  16  -6.297   0.412  -3.564
  105    HA   TYR  16           HA       TYR  16  -3.519  -0.487  -3.710
  106    HB2  TYR  16           2HB      TYR  16  -5.144   0.492  -5.639
  107    HB3  TYR  16           1HB      TYR  16  -4.359   1.981  -5.120
  108    HD1  TYR  16           2HD      TYR  16  -1.966   2.312  -5.467
  109    HD2  TYR  16           1HD      TYR  16  -3.889  -1.263  -6.740
  110    HE1  TYR  16           2HE      TYR  16  -0.009   1.757  -6.850
  111    HE2  TYR  16           1HE      TYR  16  -1.938  -1.827  -8.125
  112    HH   TYR  16           HH       TYR  16   1.042  -0.235  -7.840
  113    H    CYS  17           H        CYS  17  -1.849   1.353  -3.680
  114    HA   CYS  17           HA       CYS  17  -1.986   2.647  -1.113
  115    HB2  CYS  17           2HB      CYS  17   0.184   2.933  -3.191
  116    HB3  CYS  17           1HB      CYS  17   0.314   3.210  -1.458
  117    H    CYS  18           H        CYS  18  -2.153   4.783  -0.644
  118    HA   CYS  18           HA       CYS  18  -3.551   6.524  -2.317
  119    HB2  CYS  18           2HB      CYS  18  -1.972   6.925   0.203
  120    HB3  CYS  18           1HB      CYS  18  -2.687   8.299  -0.632
  121    H    SER  19           H        SER  19  -0.098   6.063  -1.961
  122    HA   SER  19           HA       SER  19   0.539   8.430  -3.539
  123    HB2  SER  19           2HB      SER  19   2.915   7.721  -3.131
  124    HB3  SER  19           1HB      SER  19   1.991   8.028  -1.661
  125    HG   SER  19           HG       SER  19   2.470   6.073  -1.102
  126    H    GLY  20           H        GLY  20   0.302   4.969  -3.886
  127    HA2  GLY  20           2HA      GLY  20  -0.044   3.910  -5.976
  128    HA3  GLY  20           1HA      GLY  20   0.786   5.241  -6.763
  129    H    PHE  21           H        PHE  21   1.969   3.423  -3.965
  130    HA   PHE  21           HA       PHE  21   3.907   2.017  -5.641
  131    HB2  PHE  21           2HB      PHE  21   5.175   3.961  -5.090
  132    HB3  PHE  21           1HB      PHE  21   4.629   3.940  -3.422
  133    HD1  PHE  21           2HD      PHE  21   6.418   1.586  -5.748
  134    HD2  PHE  21           1HD      PHE  21   6.228   3.380  -1.889
  135    HE1  PHE  21           2HE      PHE  21   8.444   0.361  -5.076
  136    HE2  PHE  21           1HE      PHE  21   8.255   2.161  -1.222
  137    HZ   PHE  21           HZ       PHE  21   9.359   0.652  -2.809
  138    H    CYS  22           H        CYS  22   3.953  -0.026  -5.125
  139    HA   CYS  22           HA       CYS  22   3.259  -0.867  -2.388
  140    HB2  CYS  22           2HB      CYS  22   2.747  -2.158  -5.061
  141    HB3  CYS  22           1HB      CYS  22   2.754  -3.110  -3.583
  142    H    ASP  23           H        ASP  23   4.849  -1.749  -1.244
  143    HA   ASP  23           HA       ASP  23   7.354  -2.455  -2.543
  144    HB2  ASP  23           2HB      ASP  23   6.637  -1.405  -0.010
  145    HB3  ASP  23           1HB      ASP  23   7.394  -2.969   0.282
  146    H    SER  24           H        SER  24   7.827  -4.430  -3.153
  147    HA   SER  24           HA       SER  24   6.181  -6.682  -2.376
  148    HB2  SER  24           2HB      SER  24   7.555  -7.909  -4.078
  149    HB3  SER  24           1HB      SER  24   6.723  -6.489  -4.711
  150    HG   SER  24           HG       SER  24   9.337  -7.026  -4.712
  151    H    TYR  25           H        TYR  25   8.958  -5.290  -1.127
  152    HA   TYR  25           HA       TYR  25  10.434  -7.636  -0.402
  153    HB2  TYR  25           2HB      TYR  25  11.193  -5.124  -0.569
  154    HB3  TYR  25           1HB      TYR  25  10.661  -5.056   1.107
  155    HD1  TYR  25           2HD      TYR  25  11.857  -6.271   2.844
  156    HD2  TYR  25           1HD      TYR  25  13.149  -6.415  -1.207
  157    HE1  TYR  25           2HE      TYR  25  14.016  -7.197   3.572
  158    HE2  TYR  25           1HE      TYR  25  15.311  -7.343  -0.491
  159    HH   TYR  25           HH       TYR  25  15.855  -8.537   2.637
  160    H    THR  26           H        THR  26   7.761  -5.906   0.949
  161    HA   THR  26           HA       THR  26   7.600  -7.825   3.159
  162    HB   THR  26           HB       THR  26   6.794  -5.944   4.662
  163    HG1  THR  26           1HG      THR  26   8.193  -3.973   3.570
  164   HG21  THR  26          3HG2      THR  26   9.059  -5.226   5.283
  165   HG22  THR  26          1HG2      THR  26   9.677  -5.855   3.754
  166   HG23  THR  26          2HG2      THR  26   9.000  -6.958   4.953
  167    H    LYS  27           H        LYS  27   6.176  -6.531   0.514
  168    HA   LYS  27           HA       LYS  27   4.097  -6.420  -0.383
  169    HB2  LYS  27           2HB      LYS  27   3.584  -8.474   1.773
  170    HB3  LYS  27           1HB      LYS  27   2.357  -8.010   0.603
  171    HG2  LYS  27           2HG      LYS  27   3.818  -8.745  -1.217
  172    HG3  LYS  27           1HG      LYS  27   5.042  -9.218  -0.038
  173    HD2  LYS  27           2HD      LYS  27   3.480 -10.829   0.937
  174    HD3  LYS  27           1HD      LYS  27   2.251 -10.351  -0.236
  175    HE2  LYS  27           2HE      LYS  27   3.703 -11.102  -2.058
  176    HE3  LYS  27           1HE      LYS  27   4.929 -11.579  -0.886
  177    HZ1  LYS  27           3HZ      LYS  27   2.196 -12.722  -1.091
  178    HZ2  LYS  27           1HZ      LYS  27   3.370 -13.178   0.038
  179    HZ3  LYS  27           2HZ      LYS  27   3.620 -13.472  -1.608
  180    H    THR  28           H        THR  28   4.541  -4.222   0.904
  181    HA   THR  28           HA       THR  28   1.993  -3.575   2.224
  182    HB   THR  28           HB       THR  28   3.282  -2.019   3.770
  183    HG1  THR  28           1HG      THR  28   5.330  -1.976   3.073
  184   HG21  THR  28          3HG2      THR  28   2.236  -4.072   4.580
  185   HG22  THR  28          1HG2      THR  28   3.773  -3.790   5.398
  186   HG23  THR  28          2HG2      THR  28   3.665  -4.996   4.115
  187    H    CYS  29           H        CYS  29   1.535  -1.269   2.319
  188    HA   CYS  29           HA       CYS  29   2.170   0.016  -0.192
  189    HB2  CYS  29           2HB      CYS  29   0.151   0.340   1.949
  190    HB3  CYS  29           1HB      CYS  29   0.599   1.801   1.084
  191    H    LYS  30           H        LYS  30   3.653   1.532  -0.496
  192    HA   LYS  30           HA       LYS  30   4.578   3.154   1.777
  193    HB2  LYS  30           2HB      LYS  30   6.332   1.636  -0.160
  194    HB3  LYS  30           1HB      LYS  30   6.929   2.936   0.862
  195    HG2  LYS  30           2HG      LYS  30   5.975   1.528   2.808
  196    HG3  LYS  30           1HG      LYS  30   5.980   0.210   1.633
  197    HD2  LYS  30           2HD      LYS  30   8.369   0.558   1.247
  198    HD3  LYS  30           1HD      LYS  30   8.367   1.881   2.415
  199    HE2  LYS  30           2HE      LYS  30   7.693   0.321   4.177
  200    HE3  LYS  30           1HE      LYS  30   7.697  -1.000   3.009
  201    HZ1  LYS  30           3HZ      LYS  30   9.734  -0.955   4.303
  202    HZ2  LYS  30           1HZ      LYS  30  10.060   0.624   3.786
  203    HZ3  LYS  30           2HZ      LYS  30  10.063  -0.650   2.673
  204    H    ASP  31           H        ASP  31   5.718   5.122   1.127
  205    HA   ASP  31           HA       ASP  31   4.516   6.303  -1.244
  206    HB2  ASP  31           2HB      ASP  31   6.095   7.469   1.052
  207    HB3  ASP  31           1HB      ASP  31   5.579   8.423  -0.335
  208    H    LYS  32           H        LYS  32   5.629   7.152  -2.977
  209    HA   LYS  32           HA       LYS  32   8.316   6.086  -3.392
  210    HB2  LYS  32           2HB      LYS  32   6.222   6.046  -5.035
  211    HB3  LYS  32           1HB      LYS  32   6.864   7.612  -5.507
  212    HG2  LYS  32           2HG      LYS  32   9.010   6.570  -6.049
  213    HG3  LYS  32           1HG      LYS  32   8.364   4.998  -5.574
  214    HD2  LYS  32           2HD      LYS  32   6.661   5.174  -7.331
  215    HD3  LYS  32           1HD      LYS  32   7.315   6.742  -7.805
  216    HE2  LYS  32           2HE      LYS  32   8.215   5.183  -9.329
  217    HE3  LYS  32           1HE      LYS  32   9.516   5.555  -8.199
  218    HZ1  LYS  32           3HZ      LYS  32   7.775   3.148  -8.101
  219    HZ2  LYS  32           1HZ      LYS  32   9.023   3.505  -7.014
  220    HZ3  LYS  32           2HZ      LYS  32   9.379   3.186  -8.637
  221    H    SER  33           H        SER  33  10.115   7.306  -3.718
  222    HA   SER  33           HA       SER  33   9.907  10.164  -3.095
  223    HB2  SER  33           2HB      SER  33  12.309   8.321  -3.051
  224    HB3  SER  33           1HB      SER  33  12.322  10.022  -2.591
  225    HG   SER  33           HG       SER  33  11.945   8.135  -0.962
  226    H    SER  34           H        SER  34  10.745  11.741  -4.398
  227    HA   SER  34           HA       SER  34  11.810  10.917  -7.017
  228    HB2  SER  34           2HB      SER  34   9.407  11.645  -7.141
  229    HB3  SER  34           1HB      SER  34   9.914  13.235  -6.574
  230    HG   SER  34           HG       SER  34  10.085  13.531  -8.675
  231    H    ALA  35           H        ALA  35  13.391  12.209  -7.912
  232    HA   ALA  35           HA       ALA  35  14.665  14.095  -6.063
  233    HB1  ALA  35           1HB      ALA  35  16.691  13.763  -7.375
  234    HB2  ALA  35           2HB      ALA  35  15.806  12.744  -8.510
  235    HB3  ALA  35           3HB      ALA  35  16.031  12.217  -6.842
  Start of MODEL    3
    1    H1   GLY   1           1HT      GLY   1 -12.893   5.581  -5.370
    2    H2   GLY   1           2HT      GLY   1 -14.091   6.574  -4.705
    3    H3   GLY   1           3HT      GLY   1 -14.522   5.302  -5.733
    4    HA2  GLY   1           1HA      GLY   1 -14.980   4.713  -3.443
    5    HA3  GLY   1           2HA      GLY   1 -13.735   3.682  -4.134
    6    H    TRP   2           H        TRP   2 -12.972   3.177  -2.051
    7    HA   TRP   2           HA       TRP   2 -11.784   5.346  -0.482
    8    HB2  TRP   2           2HB      TRP   2 -12.223   2.419   0.142
    9    HB3  TRP   2           1HB      TRP   2 -11.389   3.534   1.217
   10    HD1  TRP   2           HD       TRP   2 -12.847   5.085   2.723
   11    HE1  TRP   2           1HE      TRP   2 -15.376   5.327   3.128
   12    HE3  TRP   2           3HE      TRP   2 -14.582   2.230  -1.161
   13    HZ2  TRP   2           2HZ      TRP   2 -17.783   4.432   1.965
   14    HZ3  TRP   2           3HZ      TRP   2 -17.013   1.977  -1.439
   15    HH2  TRP   2           HH       TRP   2 -18.579   3.056   0.092
   16    H    CYS   3           H        CYS   3  -9.610   5.373   0.124
   17    HA   CYS   3           HA       CYS   3  -7.827   3.819  -1.630
   18    HB2  CYS   3           2HB      CYS   3  -7.821   6.318  -1.900
   19    HB3  CYS   3           1HB      CYS   3  -7.210   6.441  -0.254
   20    H    GLY   4           H        GLY   4  -5.754   3.154  -0.753
   21    HA2  GLY   4           2HA      GLY   4  -6.027   2.168   1.972
   22    HA3  GLY   4           1HA      GLY   4  -4.798   1.699   0.810
   23    H    ASP   5           H        ASP   5  -4.843   2.718   3.700
   24    HA   ASP   5           HA       ASP   5  -3.217   5.127   3.523
   25    HB2  ASP   5           2HB      ASP   5  -4.365   3.563   5.836
   26    HB3  ASP   5           1HB      ASP   5  -3.251   4.906   6.070
   27    HA   HYP   6           HA       HYP   6   0.827   3.241   3.859
   28    HB2  HYP   6           2HB      HYP   6   1.446   4.870   6.264
   29    HB3  HYP   6           1HB      HYP   6   2.289   4.796   4.704
   30    HG   HYP   6           2HG      HYP   6   0.837   6.927   5.349
   31   HD22  HYP   6          1HD       HYP   6  -1.385   6.248   3.962
   32   HD23  HYP   6          2HD       HYP   6  -1.274   6.023   5.721
   33    HD1  HYP   6           1HG      HYP   6   1.225   7.272   3.286
   34    H    GLY   7           H        GLY   7   1.540   1.389   4.684
   35    HA2  GLY   7           2HA      GLY   7   2.211  -0.033   6.488
   36    HA3  GLY   7           1HA      GLY   7   0.993   0.728   7.498
   37    H    ALA   8           H        ALA   8  -0.160   0.052   4.394
   38    HA   ALA   8           HA       ALA   8  -1.690  -2.238   5.399
   39    HB1  ALA   8           1HB      ALA   8  -2.970  -0.332   4.543
   40    HB2  ALA   8           2HB      ALA   8  -3.242  -1.780   3.574
   41    HB3  ALA   8           3HB      ALA   8  -2.180  -0.506   2.976
   42    H    THR   9           H        THR   9  -1.999  -4.109   4.095
   43    HA   THR   9           HA       THR   9   0.380  -4.952   2.701
   44    HB   THR   9           HB       THR   9  -2.095  -6.635   2.708
   45    HG1  THR   9           1HG      THR   9  -1.043  -5.528   4.942
   46   HG21  THR   9          3HG2      THR   9   0.820  -7.234   3.244
   47   HG22  THR   9          1HG2      THR   9  -0.029  -7.508   1.723
   48   HG23  THR   9          2HG2      THR   9  -0.476  -8.427   3.160
   49    H    CYS  10           H        CYS  10   0.706  -5.119   0.561
   50    HA   CYS  10           HA       CYS  10  -1.417  -4.202  -1.238
   51    HB2  CYS  10           2HB      CYS  10   0.784  -3.055  -1.313
   52    HB3  CYS  10           1HB      CYS  10   1.538  -4.574  -1.783
   53    H    GLY  11           H        GLY  11  -2.475  -5.550  -2.525
   54    HA2  GLY  11           2HA      GLY  11  -1.244  -7.900  -3.655
   55    HA3  GLY  11           1HA      GLY  11  -2.457  -8.265  -2.440
   56    H    LYS  12           H        LYS  12  -4.311  -8.820  -3.332
   57    HA   LYS  12           HA       LYS  12  -5.253  -7.345  -5.704
   58    HB2  LYS  12           2HB      LYS  12  -5.424 -10.294  -5.107
   59    HB3  LYS  12           1HB      LYS  12  -6.468  -9.518  -6.290
   60    HG2  LYS  12           2HG      LYS  12  -4.507  -8.817  -7.566
   61    HG3  LYS  12           1HG      LYS  12  -3.457  -9.586  -6.375
   62    HD2  LYS  12           2HD      LYS  12  -4.472 -11.755  -6.887
   63    HD3  LYS  12           1HD      LYS  12  -5.520 -10.984  -8.078
   64    HE2  LYS  12           2HE      LYS  12  -3.553 -10.292  -9.357
   65    HE3  LYS  12           1HE      LYS  12  -2.506 -11.061  -8.166
   66    HZ1  LYS  12           3HZ      LYS  12  -2.834 -12.475 -10.092
   67    HZ2  LYS  12           1HZ      LYS  12  -4.510 -12.452  -9.859
   68    HZ3  LYS  12           2HZ      LYS  12  -3.507 -13.191  -8.716
   69    H    LEU  13           H        LEU  13  -6.171  -9.096  -2.769
   70    HA   LEU  13           HA       LEU  13  -8.932  -8.186  -2.954
   71    HB2  LEU  13           2HB      LEU  13  -7.498  -9.937  -0.960
   72    HB3  LEU  13           1HB      LEU  13  -9.182  -9.478  -0.804
   73    HG   LEU  13           HG       LEU  13  -9.336 -10.528  -3.236
   74   HD11  LEU  13          1HD1      LEU  13  -7.013 -12.001  -2.000
   75   HD12  LEU  13          2HD1      LEU  13  -6.954 -10.993  -3.446
   76   HD13  LEU  13          3HD1      LEU  13  -7.891 -12.487  -3.450
   77   HD21  LEU  13          3HD2      LEU  13 -10.621 -11.257  -1.309
   78   HD22  LEU  13          1HD2      LEU  13  -9.224 -12.133  -0.685
   79   HD23  LEU  13          2HD2      LEU  13  -9.988 -12.649  -2.189
   80    H    ARG  14           H        ARG  14  -6.027  -7.058  -1.648
   81    HA   ARG  14           HA       ARG  14  -7.271  -5.560   0.528
   82    HB2  ARG  14           2HB      ARG  14  -4.406  -5.949  -0.342
   83    HB3  ARG  14           1HB      ARG  14  -4.858  -4.783   0.893
   84    HG2  ARG  14           2HG      ARG  14  -5.725  -7.623   1.186
   85    HG3  ARG  14           1HG      ARG  14  -4.058  -7.182   1.553
   86    HD2  ARG  14           2HD      ARG  14  -4.857  -5.505   3.151
   87    HD3  ARG  14           1HD      ARG  14  -6.524  -5.945   2.781
   88    HE   ARG  14           HE       ARG  14  -5.108  -8.239   3.592
   89   HH11  ARG  14          1HH1      ARG  14  -6.412  -5.281   4.965
   90   HH12  ARG  14          2HH1      ARG  14  -6.626  -5.971   6.540
   91   HH21  ARG  14          2HH2      ARG  14  -5.398  -9.120   5.660
   92   HH22  ARG  14          1HH2      ARG  14  -6.051  -8.143   6.931
   93    H    LEU  15           H        LEU  15  -6.458  -3.197   0.740
   94    HA   LEU  15           HA       LEU  15  -7.389  -1.747  -1.548
   95    HB2  LEU  15           2HB      LEU  15  -6.574  -1.098   1.228
   96    HB3  LEU  15           1HB      LEU  15  -6.457   0.199   0.055
   97    HG   LEU  15           HG       LEU  15  -9.018  -1.334   0.255
   98   HD11  LEU  15          1HD1      LEU  15  -9.786   0.279   1.973
   99   HD12  LEU  15          2HD1      LEU  15  -8.119   0.830   2.152
  100   HD13  LEU  15          3HD1      LEU  15  -8.547  -0.832   2.560
  101   HD21  LEU  15          3HD2      LEU  15  -9.955   0.855  -0.355
  102   HD22  LEU  15          1HD2      LEU  15  -8.758   0.302  -1.527
  103   HD23  LEU  15          2HD2      LEU  15  -8.331   1.543  -0.348
  104    H    TYR  16           H        TYR  16  -6.270  -0.051  -2.647
  105    HA   TYR  16           HA       TYR  16  -3.505  -0.734  -3.239
  106    HB2  TYR  16           2HB      TYR  16  -5.502   1.106  -4.564
  107    HB3  TYR  16           1HB      TYR  16  -3.827   0.984  -5.087
  108    HD1  TYR  16           1HD      TYR  16  -3.019  -1.015  -6.216
  109    HD2  TYR  16           2HD      TYR  16  -7.070  -0.707  -4.955
  110    HE1  TYR  16           1HE      TYR  16  -3.600  -2.935  -7.637
  111    HE2  TYR  16           2HE      TYR  16  -7.663  -2.628  -6.373
  112    HH   TYR  16           HH       TYR  16  -6.803  -3.780  -8.367
  113    H    CYS  17           H        CYS  17  -1.950   1.100  -3.650
  114    HA   CYS  17           HA       CYS  17  -1.777   2.746  -1.280
  115    HB2  CYS  17           2HB      CYS  17   0.132   2.811  -3.608
  116    HB3  CYS  17           1HB      CYS  17   0.455   3.182  -1.920
  117    H    CYS  18           H        CYS  18  -1.962   4.926  -1.128
  118    HA   CYS  18           HA       CYS  18  -3.429   6.324  -3.145
  119    HB2  CYS  18           2HB      CYS  18  -2.160   7.331  -0.593
  120    HB3  CYS  18           1HB      CYS  18  -3.273   8.250  -1.599
  121    H    SER  19           H        SER  19  -0.093   5.871  -2.577
  122    HA   SER  19           HA       SER  19   0.680   8.264  -4.081
  123    HB2  SER  19           2HB      SER  19   2.380   6.233  -2.614
  124    HB3  SER  19           1HB      SER  19   2.989   7.679  -3.417
  125    HG   SER  19           HG       SER  19   1.183   8.626  -1.893
  126    H    GLY  20           H        GLY  20   0.494   4.790  -4.333
  127    HA2  GLY  20           2HA      GLY  20   0.350   3.636  -6.389
  128    HA3  GLY  20           1HA      GLY  20   1.181   4.967  -7.173
  129    H    PHE  21           H        PHE  21   2.245   3.290  -4.238
  130    HA   PHE  21           HA       PHE  21   4.334   1.908  -5.743
  131    HB2  PHE  21           2HB      PHE  21   5.469   3.937  -5.157
  132    HB3  PHE  21           1HB      PHE  21   4.856   3.888  -3.514
  133    HD1  PHE  21           1HD      PHE  21   6.774   1.514  -5.717
  134    HD2  PHE  21           2HD      PHE  21   6.491   3.506  -1.962
  135    HE1  PHE  21           1HE      PHE  21   8.827   0.385  -4.960
  136    HE2  PHE  21           2HE      PHE  21   8.542   2.383  -1.210
  137    HZ   PHE  21           HZ       PHE  21   9.709   0.827  -2.704
  138    H    CYS  22           H        CYS  22   4.350  -0.119  -5.192
  139    HA   CYS  22           HA       CYS  22   3.567  -0.915  -2.465
  140    HB2  CYS  22           2HB      CYS  22   3.173  -2.265  -5.130
  141    HB3  CYS  22           1HB      CYS  22   3.138  -3.189  -3.633
  142    H    ASP  23           H        ASP  23   5.167  -1.669  -1.251
  143    HA   ASP  23           HA       ASP  23   7.701  -2.422  -2.460
  144    HB2  ASP  23           2HB      ASP  23   6.927  -1.245  -0.003
  145    HB3  ASP  23           1HB      ASP  23   7.686  -2.787   0.389
  146    H    SER  24           H        SER  24   8.241  -4.418  -2.924
  147    HA   SER  24           HA       SER  24   6.581  -6.650  -2.128
  148    HB2  SER  24           2HB      SER  24   9.023  -6.532  -3.910
  149    HB3  SER  24           1HB      SER  24   7.996  -7.948  -3.687
  150    HG   SER  24           HG       SER  24   7.665  -6.101  -5.458
  151    H    TYR  25           H        TYR  25   9.257  -5.156  -0.771
  152    HA   TYR  25           HA       TYR  25  10.706  -7.436   0.175
  153    HB2  TYR  25           2HB      TYR  25  11.430  -4.914  -0.054
  154    HB3  TYR  25           1HB      TYR  25  10.784  -4.789   1.577
  155    HD1  TYR  25           1HD      TYR  25  13.443  -6.199  -0.507
  156    HD2  TYR  25           2HD      TYR  25  11.887  -5.898   3.441
  157    HE1  TYR  25           1HE      TYR  25  15.569  -7.052   0.389
  158    HE2  TYR  25           2HE      TYR  25  14.009  -6.749   4.348
  159    HH   TYR  25           HH       TYR  25  16.838  -6.989   2.491
  160    H    THR  26           H        THR  26   7.909  -5.709   1.232
  161    HA   THR  26           HA       THR  26   7.612  -7.520   3.518
  162    HB   THR  26           HB       THR  26   6.661  -5.587   4.859
  163    HG1  THR  26           1HG      THR  26   8.115  -3.646   3.775
  164   HG21  THR  26          3HG2      THR  26   8.858  -4.796   5.619
  165   HG22  THR  26          1HG2      THR  26   9.603  -5.482   4.175
  166   HG23  THR  26          2HG2      THR  26   8.854  -6.541   5.370
  167    H    LYS  27           H        LYS  27   6.377  -6.364   0.713
  168    HA   LYS  27           HA       LYS  27   4.374  -6.329  -0.346
  169    HB2  LYS  27           2HB      LYS  27   3.734  -8.315   1.839
  170    HB3  LYS  27           1HB      LYS  27   2.593  -7.921   0.562
  171    HG2  LYS  27           2HG      LYS  27   4.205  -8.688  -1.112
  172    HG3  LYS  27           1HG      LYS  27   5.343  -9.089   0.175
  173    HD2  LYS  27           2HD      LYS  27   3.743 -10.700   1.088
  174    HD3  LYS  27           1HD      LYS  27   2.599 -10.293  -0.193
  175    HE2  LYS  27           2HE      LYS  27   4.203 -11.077  -1.868
  176    HE3  LYS  27           1HE      LYS  27   5.344 -11.482  -0.586
  177    HZ1  LYS  27           3HZ      LYS  27   4.133 -13.429  -1.336
  178    HZ2  LYS  27           1HZ      LYS  27   2.657 -12.694  -0.955
  179    HZ3  LYS  27           2HZ      LYS  27   3.751 -13.084   0.275
  180    H    THR  28           H        THR  28   4.697  -4.084   0.937
  181    HA   THR  28           HA       THR  28   2.019  -3.418   1.954
  182    HB   THR  28           HB       THR  28   3.119  -1.866   3.646
  183    HG1  THR  28           1HG      THR  28   5.224  -1.863   3.673
  184   HG21  THR  28          3HG2      THR  28   3.382  -3.634   5.330
  185   HG22  THR  28          1HG2      THR  28   3.426  -4.845   4.048
  186   HG23  THR  28          2HG2      THR  28   1.958  -3.907   4.324
  187    H    CYS  29           H        CYS  29   1.587  -1.101   2.009
  188    HA   CYS  29           HA       CYS  29   2.472   0.166  -0.425
  189    HB2  CYS  29           2HB      CYS  29   0.388   0.725   1.650
  190    HB3  CYS  29           1HB      CYS  29   0.865   2.000   0.541
  191    H    LYS  30           H        LYS  30   3.965   1.703  -0.632
  192    HA   LYS  30           HA       LYS  30   4.807   3.241   1.728
  193    HB2  LYS  30           2HB      LYS  30   6.624   1.741  -0.161
  194    HB3  LYS  30           1HB      LYS  30   7.197   3.016   0.905
  195    HG2  LYS  30           2HG      LYS  30   6.138   1.595   2.788
  196    HG3  LYS  30           1HG      LYS  30   6.171   0.294   1.595
  197    HD2  LYS  30           2HD      LYS  30   8.580   0.609   1.314
  198    HD3  LYS  30           1HD      LYS  30   8.550   1.913   2.504
  199    HE2  LYS  30           2HE      LYS  30   7.778   0.337   4.209
  200    HE3  LYS  30           1HE      LYS  30   7.805  -0.964   3.020
  201    HZ1  LYS  30           3HZ      LYS  30  10.190  -0.649   2.785
  202    HZ2  LYS  30           1HZ      LYS  30   9.788  -0.984   4.393
  203    HZ3  LYS  30           2HZ      LYS  30  10.163   0.598   3.927
  204    H    ASP  31           H        ASP  31   5.997   5.208   1.204
  205    HA   ASP  31           HA       ASP  31   4.950   6.481  -1.195
  206    HB2  ASP  31           2HB      ASP  31   6.392   7.554   1.234
  207    HB3  ASP  31           1HB      ASP  31   5.973   8.557  -0.150
  208    H    LYS  32           H        LYS  32   6.217   7.507  -2.761
  209    HA   LYS  32           HA       LYS  32   8.860   6.334  -3.133
  210    HB2  LYS  32           2HB      LYS  32   6.862   7.670  -4.899
  211    HB3  LYS  32           1HB      LYS  32   8.551   7.731  -5.379
  212    HG2  LYS  32           2HG      LYS  32   7.419   5.093  -4.617
  213    HG3  LYS  32           1HG      LYS  32   6.942   5.788  -6.168
  214    HD2  LYS  32           2HD      LYS  32   9.326   6.026  -6.763
  215    HD3  LYS  32           1HD      LYS  32   9.766   5.263  -5.233
  216    HE2  LYS  32           2HE      LYS  32   8.568   3.237  -5.903
  217    HE3  LYS  32           1HE      LYS  32   8.128   4.001  -7.430
  218    HZ1  LYS  32           3HZ      LYS  32  10.896   3.418  -6.523
  219    HZ2  LYS  32           1HZ      LYS  32  10.475   4.151  -7.989
  220    HZ3  LYS  32           2HZ      LYS  32  10.035   2.546  -7.689
  221    H    SER  33           H        SER  33   7.363   9.543  -2.878
  222    HA   SER  33           HA       SER  33  10.042  10.747  -2.666
  223    HB2  SER  33           2HB      SER  33   7.405  12.049  -3.385
  224    HB3  SER  33           1HB      SER  33   8.952  12.884  -3.262
  225    HG   SER  33           HG       SER  33   9.701  11.419  -4.927
  226    H    SER  34           H        SER  34  10.571  12.010  -0.935
  227    HA   SER  34           HA       SER  34   8.585  12.252   1.227
  228    HB2  SER  34           2HB      SER  34  11.509  11.522   1.535
  229    HB3  SER  34           1HB      SER  34  10.388  11.820   2.864
  230    HG   SER  34           HG       SER  34   9.290  10.035   1.227
  231    H    ALA  35           H        ALA  35  11.596  13.508  -0.168
  232    HA   ALA  35           HA       ALA  35  11.233  16.033   1.277
  233    HB1  ALA  35           1HB      ALA  35  13.599  15.068  -0.329
  234    HB2  ALA  35           2HB      ALA  35  13.439  14.982   1.426
  235    HB3  ALA  35           3HB      ALA  35  13.523  16.550   0.624
  Start of MODEL    4
    1    H1   GLY   1           1HT      GLY   1 -13.525   7.123  -5.012
    2    H2   GLY   1           2HT      GLY   1 -14.036   5.910  -6.072
    3    H3   GLY   1           3HT      GLY   1 -12.399   6.041  -5.665
    4    HA2  GLY   1           1HA      GLY   1 -14.601   5.328  -3.804
    5    HA3  GLY   1           2HA      GLY   1 -13.435   4.203  -4.483
    6    H    TRP   2           H        TRP   2 -12.778   3.604  -2.387
    7    HA   TRP   2           HA       TRP   2 -11.441   5.631  -0.754
    8    HB2  TRP   2           2HB      TRP   2 -12.148   2.741  -0.191
    9    HB3  TRP   2           1HB      TRP   2 -11.250   3.764   0.924
   10    HD1  TRP   2           HD       TRP   2 -12.602   5.770   2.114
   11    HE1  TRP   2           1HE      TRP   2 -15.111   6.084   2.583
   12    HE3  TRP   2           3HE      TRP   2 -14.491   2.278  -1.124
   13    HZ2  TRP   2           2HZ      TRP   2 -17.562   5.003   1.705
   14    HZ3  TRP   2           3HZ      TRP   2 -16.930   1.985  -1.243
   15    HH2  TRP   2           HH       TRP   2 -18.433   3.319   0.143
   16    H    CYS   3           H        CYS   3  -9.300   5.349   0.012
   17    HA   CYS   3           HA       CYS   3  -7.637   3.453  -1.495
   18    HB2  CYS   3           2HB      CYS   3  -5.911   5.128  -1.819
   19    HB3  CYS   3           1HB      CYS   3  -7.422   5.690  -2.521
   20    H    GLY   4           H        GLY   4  -5.751   2.737  -0.436
   21    HA2  GLY   4           2HA      GLY   4  -6.027   2.569   2.430
   22    HA3  GLY   4           1HA      GLY   4  -4.827   1.757   1.444
   23    H    ASP   5           H        ASP   5  -4.574   3.168   4.002
   24    HA   ASP   5           HA       ASP   5  -2.984   5.534   3.395
   25    HB2  ASP   5           2HB      ASP   5  -3.952   4.255   5.947
   26    HB3  ASP   5           1HB      ASP   5  -2.766   5.553   5.964
   27    HA   HYP   6           HA       HYP   6   1.090   3.709   3.469
   28    HB2  HYP   6           2HB      HYP   6   2.348   5.317   5.403
   29    HB3  HYP   6           1HB      HYP   6   2.259   5.658   3.665
   30    HG   HYP   6           2HG      HYP   6   0.612   6.753   5.890
   31   HD22  HYP   6          1HD       HYP   6  -0.525   6.592   3.111
   32   HD23  HYP   6          2HD       HYP   6  -1.372   6.714   4.667
   33    HD1  HYP   6           1HG      HYP   6   1.973   7.624   3.658
   34    H    GLY   7           H        GLY   7   1.620   1.846   4.342
   35    HA2  GLY   7           2HA      GLY   7   2.585   0.667   6.251
   36    HA3  GLY   7           1HA      GLY   7   1.416   1.495   7.269
   37    H    ALA   8           H        ALA   8   0.105   0.509   4.307
   38    HA   ALA   8           HA       ALA   8  -1.357  -1.668   5.610
   39    HB1  ALA   8           1HB      ALA   8  -2.957  -1.445   3.783
   40    HB2  ALA   8           2HB      ALA   8  -1.918  -0.253   3.003
   41    HB3  ALA   8           3HB      ALA   8  -2.671   0.116   4.554
   42    H    THR   9           H        THR   9  -1.679  -3.691   4.551
   43    HA   THR   9           HA       THR   9   0.677  -4.699   3.244
   44    HB   THR   9           HB       THR   9  -1.808  -6.356   3.410
   45    HG1  THR   9           1HG      THR   9  -1.970  -5.672   5.447
   46   HG21  THR   9          3HG2      THR   9  -0.205  -8.092   4.078
   47   HG22  THR   9          1HG2      THR   9   1.096  -6.901   4.055
   48   HG23  THR   9          2HG2      THR   9   0.271  -7.335   2.558
   49    H    CYS  10           H        CYS  10   1.054  -4.738   1.136
   50    HA   CYS  10           HA       CYS  10  -1.167  -4.306  -0.735
   51    HB2  CYS  10           2HB      CYS  10   0.783  -2.739  -0.779
   52    HB3  CYS  10           1HB      CYS  10   1.804  -4.089  -1.262
   53    H    GLY  11           H        GLY  11  -1.490  -5.602  -2.529
   54    HA2  GLY  11           2HA      GLY  11  -0.017  -7.618  -3.601
   55    HA3  GLY  11           1HA      GLY  11  -0.758  -8.372  -2.197
   56    H    LYS  12           H        LYS  12  -2.528  -9.470  -2.666
   57    HA   LYS  12           HA       LYS  12  -4.127  -8.683  -4.995
   58    HB2  LYS  12           2HB      LYS  12  -3.892 -11.282  -3.479
   59    HB3  LYS  12           1HB      LYS  12  -5.175 -10.994  -4.645
   60    HG2  LYS  12           2HG      LYS  12  -3.507 -10.644  -6.398
   61    HG3  LYS  12           1HG      LYS  12  -2.219 -10.930  -5.226
   62    HD2  LYS  12           2HD      LYS  12  -3.067 -13.196  -4.849
   63    HD3  LYS  12           1HD      LYS  12  -4.355 -12.909  -6.021
   64    HE2  LYS  12           2HE      LYS  12  -2.681 -12.573  -7.774
   65    HE3  LYS  12           1HE      LYS  12  -1.395 -12.857  -6.603
   66    HZ1  LYS  12           3HZ      LYS  12  -3.473 -14.825  -7.399
   67    HZ2  LYS  12           1HZ      LYS  12  -2.237 -15.098  -6.276
   68    HZ3  LYS  12           2HZ      LYS  12  -1.858 -14.836  -7.903
   69    H    LEU  13           H        LEU  13  -5.189  -6.955  -4.001
   70    HA   LEU  13           HA       LEU  13  -7.437  -7.748  -2.291
   71    HB2  LEU  13           2HB      LEU  13  -5.586  -5.416  -1.766
   72    HB3  LEU  13           1HB      LEU  13  -7.148  -5.606  -0.997
   73    HG   LEU  13           HG       LEU  13  -6.065  -7.971  -0.331
   74   HD11  LEU  13          1HD1      LEU  13  -3.722  -7.657   0.286
   75   HD12  LEU  13          2HD1      LEU  13  -3.726  -6.074  -0.493
   76   HD13  LEU  13          3HD1      LEU  13  -3.950  -7.534  -1.459
   77   HD21  LEU  13          3HD2      LEU  13  -5.616  -5.353   1.096
   78   HD22  LEU  13          1HD2      LEU  13  -5.499  -6.952   1.828
   79   HD23  LEU  13          2HD2      LEU  13  -7.048  -6.376   1.213
   80    H    ARG  14           H        ARG  14  -9.164  -6.062  -2.236
   81    HA   ARG  14           HA       ARG  14  -9.633  -5.039  -4.907
   82    HB2  ARG  14           2HB      ARG  14 -11.326  -5.190  -2.419
   83    HB3  ARG  14           1HB      ARG  14 -11.864  -4.346  -3.863
   84    HG2  ARG  14           2HG      ARG  14 -11.680  -6.418  -5.147
   85    HG3  ARG  14           1HG      ARG  14 -11.140  -7.266  -3.696
   86    HD2  ARG  14           2HD      ARG  14 -13.266  -6.747  -2.603
   87    HD3  ARG  14           1HD      ARG  14 -13.804  -5.895  -4.049
   88    HE   ARG  14           HE       ARG  14 -13.088  -8.494  -4.786
   89   HH11  ARG  14          1HH1      ARG  14 -15.574  -6.914  -2.873
   90   HH12  ARG  14          2HH1      ARG  14 -16.745  -8.158  -3.158
   91   HH21  ARG  14          1HH2      ARG  14 -14.637 -10.110  -5.145
   92   HH22  ARG  14          2HH2      ARG  14 -16.214  -9.965  -4.442
   93    H    LEU  15           H        LEU  15  -8.777  -3.782  -1.774
   94    HA   LEU  15           HA       LEU  15  -9.196  -1.017  -2.627
   95    HB2  LEU  15           2HB      LEU  15 -10.038  -1.419  -0.452
   96    HB3  LEU  15           1HB      LEU  15  -8.622  -2.322   0.025
   97    HG   LEU  15           HG       LEU  15  -7.319  -0.263   0.198
   98   HD11  LEU  15          1HD1      LEU  15  -8.315   1.083  -1.543
   99   HD12  LEU  15          2HD1      LEU  15  -8.407   1.934  -0.001
  100   HD13  LEU  15          3HD1      LEU  15  -9.841   1.147  -0.661
  101   HD21  LEU  15          3HD2      LEU  15  -8.246   0.531   2.175
  102   HD22  LEU  15          1HD2      LEU  15  -8.884  -1.108   2.043
  103   HD23  LEU  15          2HD2      LEU  15  -9.900   0.273   1.617
  104    H    TYR  16           H        TYR  16  -7.620   0.152  -3.447
  105    HA   TYR  16           HA       TYR  16  -4.867  -0.825  -3.330
  106    HB2  TYR  16           2HB      TYR  16  -6.226   1.239  -5.069
  107    HB3  TYR  16           1HB      TYR  16  -4.488   0.962  -5.091
  108    HD1  TYR  16           2HD      TYR  16  -3.564  -1.072  -6.055
  109    HD2  TYR  16           1HD      TYR  16  -7.765  -0.397  -6.000
  110    HE1  TYR  16           2HE      TYR  16  -3.871  -2.882  -7.692
  111    HE2  TYR  16           1HE      TYR  16  -8.083  -2.204  -7.636
  112    HH   TYR  16           HH       TYR  16  -6.782  -3.378  -9.361
  113    H    CYS  17           H        CYS  17  -3.107   0.600  -2.857
  114    HA   CYS  17           HA       CYS  17  -3.667   2.352  -0.634
  115    HB2  CYS  17           2HB      CYS  17  -1.105   1.408  -1.908
  116    HB3  CYS  17           1HB      CYS  17  -1.141   2.545  -0.564
  117    H    CYS  18           H        CYS  18  -3.418   4.502  -0.486
  118    HA   CYS  18           HA       CYS  18  -3.661   6.102  -2.825
  119    HB2  CYS  18           2HB      CYS  18  -4.085   6.392  -0.038
  120    HB3  CYS  18           1HB      CYS  18  -3.000   7.687  -0.531
  121    H    SER  19           H        SER  19  -0.902   4.791  -1.466
  122    HA   SER  19           HA       SER  19   0.874   7.038  -1.926
  123    HB2  SER  19           2HB      SER  19   1.472   4.170  -1.171
  124    HB3  SER  19           1HB      SER  19   2.657   5.476  -1.224
  125    HG   SER  19           HG       SER  19   0.322   5.529   0.383
  126    H    GLY  20           H        GLY  20  -0.145   4.149  -3.620
  127    HA2  GLY  20           2HA      GLY  20   0.029   3.776  -5.922
  128    HA3  GLY  20           1HA      GLY  20   1.208   5.070  -6.024
  129    H    PHE  21           H        PHE  21   3.063   4.162  -4.117
  130    HA   PHE  21           HA       PHE  21   4.324   2.032  -5.642
  131    HB2  PHE  21           2HB      PHE  21   5.778   3.853  -5.247
  132    HB3  PHE  21           1HB      PHE  21   5.305   3.981  -3.562
  133    HD1  PHE  21           2HD      PHE  21   6.844   1.389  -5.812
  134    HD2  PHE  21           1HD      PHE  21   6.899   3.369  -2.040
  135    HE1  PHE  21           2HE      PHE  21   8.809   0.066  -5.144
  136    HE2  PHE  21           1HE      PHE  21   8.866   2.052  -1.376
  137    HZ   PHE  21           HZ       PHE  21   9.817   0.401  -2.921
  138    H    CYS  22           H        CYS  22   4.404  -0.001  -5.064
  139    HA   CYS  22           HA       CYS  22   3.741  -0.751  -2.297
  140    HB2  CYS  22           2HB      CYS  22   3.080  -2.030  -4.927
  141    HB3  CYS  22           1HB      CYS  22   3.179  -3.018  -3.475
  142    H    ASP  23           H        ASP  23   5.248  -1.756  -1.154
  143    HA   ASP  23           HA       ASP  23   7.722  -2.582  -2.465
  144    HB2  ASP  23           2HB      ASP  23   7.100  -1.377   0.027
  145    HB3  ASP  23           1HB      ASP  23   7.802  -2.954   0.378
  146    H    SER  24           H        SER  24   8.032  -4.603  -3.027
  147    HA   SER  24           HA       SER  24   6.333  -6.732  -2.031
  148    HB2  SER  24           2HB      SER  24   6.898  -6.463  -4.459
  149    HB3  SER  24           1HB      SER  24   8.559  -6.907  -4.071
  150    HG   SER  24           HG       SER  24   7.974  -8.926  -3.930
  151    H    TYR  25           H        TYR  25   9.269  -5.413  -1.083
  152    HA   TYR  25           HA       TYR  25  10.643  -7.814  -0.299
  153    HB2  TYR  25           2HB      TYR  25  11.580  -5.405  -0.784
  154    HB3  TYR  25           1HB      TYR  25  11.224  -5.137   0.918
  155    HD1  TYR  25           1HD      TYR  25  13.344  -6.939  -1.466
  156    HD2  TYR  25           2HD      TYR  25  12.498  -6.270   2.650
  157    HE1  TYR  25           1HE      TYR  25  15.487  -7.984  -0.862
  158    HE2  TYR  25           2HE      TYR  25  14.637  -7.313   3.265
  159    HH   TYR  25           HH       TYR  25  17.084  -7.964   1.006
  160    H    THR  26           H        THR  26   8.159  -5.874   1.043
  161    HA   THR  26           HA       THR  26   8.183  -7.468   3.505
  162    HB   THR  26           HB       THR  26   7.463  -5.391   4.778
  163    HG1  THR  26           1HG      THR  26   8.827  -3.725   3.085
  164   HG21  THR  26          3HG2      THR  26   9.762  -4.595   5.124
  165   HG22  THR  26          1HG2      THR  26  10.272  -5.442   3.662
  166   HG23  THR  26          2HG2      THR  26   9.692  -6.356   5.054
  167    H    LYS  27           H        LYS  27   6.549  -6.582   0.818
  168    HA   LYS  27           HA       LYS  27   4.409  -6.631   0.071
  169    HB2  LYS  27           2HB      LYS  27   4.096  -8.323   2.553
  170    HB3  LYS  27           1HB      LYS  27   2.774  -8.055   1.426
  171    HG2  LYS  27           2HG      LYS  27   4.098  -9.060  -0.367
  172    HG3  LYS  27           1HG      LYS  27   5.424  -9.327   0.766
  173    HD2  LYS  27           2HD      LYS  27   3.979 -10.776   2.112
  174    HD3  LYS  27           1HD      LYS  27   2.654 -10.507   0.977
  175    HE2  LYS  27           2HE      LYS  27   3.982 -11.526  -0.809
  176    HE3  LYS  27           1HE      LYS  27   5.304 -11.793   0.325
  177    HZ1  LYS  27           3HZ      LYS  27   2.590 -12.985   0.521
  178    HZ2  LYS  27           1HZ      LYS  27   3.857 -13.241   1.612
  179    HZ3  LYS  27           2HZ      LYS  27   3.988 -13.792   0.019
  180    H    THR  28           H        THR  28   5.105  -4.295   1.349
  181    HA   THR  28           HA       THR  28   2.523  -3.428   2.480
  182    HB   THR  28           HB       THR  28   3.838  -1.805   3.931
  183    HG1  THR  28           1HG      THR  28   5.994  -3.353   4.240
  184   HG21  THR  28          3HG2      THR  28   4.093  -4.756   4.532
  185   HG22  THR  28          1HG2      THR  28   2.690  -3.744   4.877
  186   HG23  THR  28          2HG2      THR  28   4.214  -3.451   5.714
  187    H    CYS  29           H        CYS  29   2.083  -1.161   2.275
  188    HA   CYS  29           HA       CYS  29   2.994  -0.130  -0.273
  189    HB2  CYS  29           2HB      CYS  29   0.891   0.885   1.643
  190    HB3  CYS  29           1HB      CYS  29   1.203   1.536   0.040
  191    H    LYS  30           H        LYS  30   4.444   1.405  -0.559
  192    HA   LYS  30           HA       LYS  30   5.156   3.180   1.682
  193    HB2  LYS  30           2HB      LYS  30   7.045   1.681  -0.140
  194    HB3  LYS  30           1HB      LYS  30   7.551   3.012   0.889
  195    HG2  LYS  30           2HG      LYS  30   6.596   1.621   2.822
  196    HG3  LYS  30           1HG      LYS  30   6.607   0.280   1.672
  197    HD2  LYS  30           2HD      LYS  30   9.001   0.600   1.313
  198    HD3  LYS  30           1HD      LYS  30   8.997   1.954   2.445
  199    HE2  LYS  30           2HE      LYS  30   8.292   0.446   4.239
  200    HE3  LYS  30           1HE      LYS  30   8.297  -0.906   3.106
  201    HZ1  LYS  30           3HZ      LYS  30  10.670  -0.579   2.787
  202    HZ2  LYS  30           1HZ      LYS  30  10.321  -0.845   4.420
  203    HZ3  LYS  30           2HZ      LYS  30  10.664   0.718   3.872
  204    H    ASP  31           H        ASP  31   6.486   5.092   0.910
  205    HA   ASP  31           HA       ASP  31   5.201   6.255  -1.427
  206    HB2  ASP  31           2HB      ASP  31   6.984   7.407   0.724
  207    HB3  ASP  31           1HB      ASP  31   6.436   8.342  -0.664
  208    H    LYS  32           H        LYS  32   6.292   7.107  -3.210
  209    HA   LYS  32           HA       LYS  32   8.826   5.793  -3.815
  210    HB2  LYS  32           2HB      LYS  32   6.635   6.018  -5.319
  211    HB3  LYS  32           1HB      LYS  32   7.428   7.507  -5.813
  212    HG2  LYS  32           2HG      LYS  32   9.396   6.241  -6.504
  213    HG3  LYS  32           1HG      LYS  32   8.615   4.743  -5.991
  214    HD2  LYS  32           2HD      LYS  32   6.830   5.121  -7.630
  215    HD3  LYS  32           1HD      LYS  32   7.625   6.610  -8.146
  216    HE2  LYS  32           2HE      LYS  32   9.585   5.325  -8.841
  217    HE3  LYS  32           1HE      LYS  32   8.800   3.837  -8.313
  218    HZ1  LYS  32           3HZ      LYS  32   7.067   4.213  -9.959
  219    HZ2  LYS  32           1HZ      LYS  32   8.588   4.143 -10.695
  220    HZ3  LYS  32           2HZ      LYS  32   7.827   5.635 -10.469
  221    H    SER  33           H        SER  33   7.461   9.054  -3.579
  222    HA   SER  33           HA       SER  33  10.062  10.260  -4.155
  223    HB2  SER  33           2HB      SER  33   7.353  11.537  -3.705
  224    HB3  SER  33           1HB      SER  33   8.824  12.402  -4.151
  225    HG   SER  33           HG       SER  33   8.626  11.720  -6.143
  226    H    SER  34           H        SER  34  11.376  11.025  -2.646
  227    HA   SER  34           HA       SER  34  10.339  11.515   0.066
  228    HB2  SER  34           2HB      SER  34  11.554   9.317  -0.089
  229    HB3  SER  34           1HB      SER  34  13.005  10.212  -0.538
  230    HG   SER  34           HG       SER  34  13.274  10.238   1.560
  231    H    ALA  35           H        ALA  35  11.347  13.151   1.237
  232    HA   ALA  35           HA       ALA  35  12.868  15.057  -0.392
  233    HB1  ALA  35           1HB      ALA  35  12.185  16.742   1.230
  234    HB2  ALA  35           2HB      ALA  35  11.408  15.500   2.212
  235    HB3  ALA  35           3HB      ALA  35  10.784  15.872   0.604
  Start of MODEL    5
    1    H1   GLY   1           1HT      GLY   1 -10.668   2.989  -5.195
    2    H2   GLY   1           2HT      GLY   1 -10.267   4.495  -5.852
    3    H3   GLY   1           3HT      GLY   1 -11.518   3.582  -6.533
    4    HA2  GLY   1           1HA      GLY   1 -12.425   5.383  -5.217
    5    HA3  GLY   1           2HA      GLY   1 -12.839   3.818  -4.533
    6    H    TRP   2           H        TRP   2 -11.546   3.038  -2.729
    7    HA   TRP   2           HA       TRP   2 -10.778   5.240  -0.961
    8    HB2  TRP   2           2HB      TRP   2 -11.385   2.330  -0.398
    9    HB3  TRP   2           1HB      TRP   2 -10.863   3.478   0.828
   10    HD1  TRP   2           HD       TRP   2 -13.858   2.685  -1.438
   11    HE1  TRP   2           1HE      TRP   2 -15.949   3.827  -0.468
   12    HE3  TRP   2           3HE      TRP   2 -11.654   5.403   2.305
   13    HZ2  TRP   2           2HZ      TRP   2 -16.585   5.634   1.600
   14    HZ3  TRP   2           3HZ      TRP   2 -13.081   6.811   3.730
   15    HH2  TRP   2           HH       TRP   2 -15.494   6.923   3.383
   16    H    CYS   3           H        CYS   3  -8.820   5.315   0.135
   17    HA   CYS   3           HA       CYS   3  -6.704   3.557  -0.922
   18    HB2  CYS   3           2HB      CYS   3  -6.582   6.484  -0.197
   19    HB3  CYS   3           1HB      CYS   3  -5.151   5.498  -0.473
   20    H    GLY   4           H        GLY   4  -5.077   2.873   0.466
   21    HA2  GLY   4           2HA      GLY   4  -5.869   2.758   3.278
   22    HA3  GLY   4           1HA      GLY   4  -4.665   1.749   2.493
   23    H    ASP   5           H        ASP   5  -4.371   3.081   4.992
   24    HA   ASP   5           HA       ASP   5  -2.672   5.388   4.584
   25    HB2  ASP   5           2HB      ASP   5  -3.526   3.840   7.031
   26    HB3  ASP   5           1HB      ASP   5  -2.366   5.161   7.113
   27    HA   HYP   6           HA       HYP   6   1.349   3.441   4.343
   28    HB2  HYP   6           2HB      HYP   6   2.283   5.006   6.698
   29    HB3  HYP   6           1HB      HYP   6   2.949   4.935   5.054
   30    HG   HYP   6           2HG      HYP   6   1.629   7.089   5.877
   31   HD22  HYP   6          1HD       HYP   6  -0.748   6.468   4.729
   32   HD23  HYP   6          2HD       HYP   6  -0.453   6.250   6.466
   33    HD1  HYP   6           1HG      HYP   6   2.370   6.393   3.622
   34    H    GLY   7           H        GLY   7   1.790   1.450   4.945
   35    HA2  GLY   7           2HA      GLY   7   2.735  -0.021   6.650
   36    HA3  GLY   7           1HA      GLY   7   1.642   0.724   7.806
   37    H    ALA   8           H        ALA   8   0.184   0.229   4.795
   38    HA   ALA   8           HA       ALA   8  -1.404  -1.986   5.842
   39    HB1  ALA   8           1HB      ALA   8  -2.574  -0.030   4.931
   40    HB2  ALA   8           2HB      ALA   8  -2.944  -1.491   4.015
   41    HB3  ALA   8           3HB      ALA   8  -1.811  -0.306   3.366
   42    H    THR   9           H        THR   9  -1.825  -3.888   4.598
   43    HA   THR   9           HA       THR   9   0.508  -4.886   3.230
   44    HB   THR   9           HB       THR   9  -2.015  -6.482   3.280
   45    HG1  THR   9           1HG      THR   9  -2.126  -5.758   5.355
   46   HG21  THR   9          3HG2      THR   9  -0.458  -8.292   3.851
   47   HG22  THR   9          1HG2      THR   9   0.869  -7.133   3.918
   48   HG23  THR   9          2HG2      THR   9   0.052  -7.450   2.388
   49    H    CYS  10           H        CYS  10   0.870  -4.947   1.126
   50    HA   CYS  10           HA       CYS  10  -1.377  -4.525  -0.736
   51    HB2  CYS  10           2HB      CYS  10   0.201  -2.611  -0.643
   52    HB3  CYS  10           1HB      CYS  10   1.510  -3.691  -1.108
   53    H    GLY  11           H        GLY  11  -1.759  -6.090  -2.151
   54    HA2  GLY  11           2HA      GLY  11   0.112  -7.581  -3.578
   55    HA3  GLY  11           1HA      GLY  11  -0.296  -8.519  -2.149
   56    H    LYS  12           H        LYS  12  -2.947  -8.085  -1.830
   57    HA   LYS  12           HA       LYS  12  -4.081  -9.474  -4.134
   58    HB2  LYS  12           2HB      LYS  12  -5.015  -9.058  -1.298
   59    HB3  LYS  12           1HB      LYS  12  -6.076  -9.717  -2.536
   60    HG2  LYS  12           2HG      LYS  12  -4.499 -11.562  -2.892
   61    HG3  LYS  12           1HG      LYS  12  -3.464 -10.906  -1.621
   62    HD2  LYS  12           2HD      LYS  12  -5.264 -11.197   0.005
   63    HD3  LYS  12           1HD      LYS  12  -6.317 -11.825  -1.263
   64    HE2  LYS  12           2HE      LYS  12  -5.486 -13.717  -0.129
   65    HE3  LYS  12           1HE      LYS  12  -4.571 -13.622  -1.633
   66    HZ1  LYS  12           3HZ      LYS  12  -2.751 -12.593  -0.419
   67    HZ2  LYS  12           1HZ      LYS  12  -3.134 -14.102   0.245
   68    HZ3  LYS  12           2HZ      LYS  12  -3.629 -12.685   1.024
   69    H    LEU  13           H        LEU  13  -6.197  -8.871  -4.975
   70    HA   LEU  13           HA       LEU  13  -6.426  -5.989  -5.261
   71    HB2  LEU  13           2HB      LEU  13  -7.784  -8.280  -6.681
   72    HB3  LEU  13           1HB      LEU  13  -8.148  -6.597  -7.004
   73    HG   LEU  13           HG       LEU  13  -5.532  -6.469  -7.428
   74   HD11  LEU  13          1HD1      LEU  13  -6.187  -9.347  -8.052
   75   HD12  LEU  13          2HD1      LEU  13  -5.073  -8.780  -6.808
   76   HD13  LEU  13          3HD1      LEU  13  -4.708  -8.502  -8.510
   77   HD21  LEU  13          3HD2      LEU  13  -5.979  -6.854  -9.807
   78   HD22  LEU  13          1HD2      LEU  13  -7.246  -5.890  -9.047
   79   HD23  LEU  13          2HD2      LEU  13  -7.523  -7.598  -9.391
   80    H    ARG  14           H        ARG  14  -7.300  -5.236  -3.396
   81    HA   ARG  14           HA       ARG  14 -10.154  -5.725  -3.006
   82    HB2  ARG  14           2HB      ARG  14  -8.063  -6.024  -0.848
   83    HB3  ARG  14           1HB      ARG  14  -9.753  -5.709  -0.479
   84    HG2  ARG  14           2HG      ARG  14 -10.371  -7.782  -1.659
   85    HG3  ARG  14           1HG      ARG  14  -8.662  -8.104  -1.946
   86    HD2  ARG  14           2HD      ARG  14  -9.231  -9.381  -0.052
   87    HD3  ARG  14           1HD      ARG  14  -8.363  -7.979   0.571
   88    HE   ARG  14           HE       ARG  14 -11.039  -7.306   0.630
   89   HH11  ARG  14          2HH1      ARG  14  -9.038  -9.775   2.124
   90   HH12  ARG  14          1HH1      ARG  14 -10.041  -9.899   3.531
   91   HH21  ARG  14          1HH2      ARG  14 -12.337  -7.485   2.480
   92   HH22  ARG  14          2HH2      ARG  14 -11.907  -8.602   3.731
   93    H    LEU  15           H        LEU  15  -7.307  -3.849  -2.007
   94    HA   LEU  15           HA       LEU  15  -8.926  -1.400  -2.128
   95    HB2  LEU  15           2HB      LEU  15  -8.311  -2.363   0.259
   96    HB3  LEU  15           1HB      LEU  15  -6.753  -1.639  -0.082
   97    HG   LEU  15           HG       LEU  15  -9.243   0.023  -0.311
   98   HD11  LEU  15          1HD1      LEU  15  -7.730  -0.496   2.244
   99   HD12  LEU  15          2HD1      LEU  15  -9.354  -1.081   1.880
  100   HD13  LEU  15          3HD1      LEU  15  -9.051   0.650   2.021
  101   HD21  LEU  15          3HD2      LEU  15  -6.398   0.669   0.468
  102   HD22  LEU  15          1HD2      LEU  15  -7.717   1.827   0.289
  103   HD23  LEU  15          2HD2      LEU  15  -7.120   0.946  -1.118
  104    H    TYR  16           H        TYR  16  -7.894   0.383  -2.953
  105    HA   TYR  16           HA       TYR  16  -5.251  -0.100  -4.152
  106    HB2  TYR  16           2HB      TYR  16  -7.481   1.792  -4.920
  107    HB3  TYR  16           1HB      TYR  16  -5.880   1.843  -5.647
  108    HD1  TYR  16           2HD      TYR  16  -9.021  -0.022  -5.412
  109    HD2  TYR  16           1HD      TYR  16  -5.153   0.095  -7.177
  110    HE1  TYR  16           2HE      TYR  16  -9.721  -1.726  -7.041
  111    HE2  TYR  16           1HE      TYR  16  -5.841  -1.608  -8.812
  112    HH   TYR  16           HH       TYR  16  -7.522  -3.388  -9.020
  113    H    CYS  17           H        CYS  17  -3.540   1.115  -3.614
  114    HA   CYS  17           HA       CYS  17  -3.829   3.043  -1.461
  115    HB2  CYS  17           2HB      CYS  17  -1.452   1.731  -2.767
  116    HB3  CYS  17           1HB      CYS  17  -1.268   3.051  -1.617
  117    H    CYS  18           H        CYS  18  -3.451   5.192  -1.568
  118    HA   CYS  18           HA       CYS  18  -3.593   6.469  -4.130
  119    HB2  CYS  18           2HB      CYS  18  -3.659   7.361  -1.290
  120    HB3  CYS  18           1HB      CYS  18  -3.269   8.558  -2.519
  121    H    SER  19           H        SER  19  -0.981   5.224  -2.523
  122    HA   SER  19           HA       SER  19   0.910   7.334  -3.202
  123    HB2  SER  19           2HB      SER  19   1.084   6.020  -1.063
  124    HB3  SER  19           1HB      SER  19   1.495   4.606  -2.032
  125    HG   SER  19           HG       SER  19   3.383   5.534  -2.612
  126    H    GLY  20           H        GLY  20  -0.155   4.222  -4.399
  127    HA2  GLY  20           2HA      GLY  20   0.099   3.376  -6.551
  128    HA3  GLY  20           1HA      GLY  20   1.245   4.657  -6.897
  129    H    PHE  21           H        PHE  21   2.948   4.015  -4.583
  130    HA   PHE  21           HA       PHE  21   4.404   1.814  -5.815
  131    HB2  PHE  21           2HB      PHE  21   5.759   3.726  -5.470
  132    HB3  PHE  21           1HB      PHE  21   5.165   3.959  -3.835
  133    HD1  PHE  21           1HD      PHE  21   7.000   1.354  -5.821
  134    HD2  PHE  21           2HD      PHE  21   6.586   3.422  -2.119
  135    HE1  PHE  21           1HE      PHE  21   8.947   0.143  -4.924
  136    HE2  PHE  21           2HE      PHE  21   8.534   2.217  -1.228
  137    HZ   PHE  21           HZ       PHE  21   9.711   0.579  -2.624
  138    H    CYS  22           H        CYS  22   4.283  -0.160  -5.105
  139    HA   CYS  22           HA       CYS  22   3.610  -0.672  -2.285
  140    HB2  CYS  22           2HB      CYS  22   2.871  -2.130  -4.804
  141    HB3  CYS  22           1HB      CYS  22   2.928  -2.992  -3.270
  142    H    ASP  23           H        ASP  23   5.149  -1.568  -1.094
  143    HA   ASP  23           HA       ASP  23   7.601  -2.489  -2.333
  144    HB2  ASP  23           2HB      ASP  23   6.906  -1.307   0.146
  145    HB3  ASP  23           1HB      ASP  23   7.592  -2.889   0.508
  146    H    SER  24           H        SER  24   8.025  -4.510  -2.827
  147    HA   SER  24           HA       SER  24   6.286  -6.662  -1.942
  148    HB2  SER  24           2HB      SER  24   8.577  -6.651  -3.919
  149    HB3  SER  24           1HB      SER  24   7.501  -8.015  -3.617
  150    HG   SER  24           HG       SER  24   7.073  -5.711  -5.061
  151    H    TYR  25           H        TYR  25   9.187  -5.309  -0.887
  152    HA   TYR  25           HA       TYR  25  10.526  -7.691   0.000
  153    HB2  TYR  25           2HB      TYR  25  11.483  -5.294  -0.482
  154    HB3  TYR  25           1HB      TYR  25  11.041  -4.988   1.193
  155    HD1  TYR  25           1HD      TYR  25  13.283  -6.836  -1.039
  156    HD2  TYR  25           2HD      TYR  25  12.228  -6.077   3.012
  157    HE1  TYR  25           1HE      TYR  25  15.394  -7.860  -0.304
  158    HE2  TYR  25           2HE      TYR  25  14.337  -7.098   3.758
  159    HH   TYR  25           HH       TYR  25  16.004  -8.699   2.928
  160    H    THR  26           H        THR  26   7.981  -5.744   1.206
  161    HA   THR  26           HA       THR  26   7.913  -7.296   3.694
  162    HB   THR  26           HB       THR  26   7.113  -5.211   4.898
  163    HG1  THR  26           1HG      THR  26   7.426  -3.262   3.952
  164   HG21  THR  26          3HG2      THR  26   9.380  -4.363   5.317
  165   HG22  THR  26          1HG2      THR  26   9.963  -5.224   3.891
  166   HG23  THR  26          2HG2      THR  26   9.347  -6.126   5.277
  167    H    LYS  27           H        LYS  27   6.382  -6.396   0.924
  168    HA   LYS  27           HA       LYS  27   4.276  -6.456   0.089
  169    HB2  LYS  27           2HB      LYS  27   3.884  -8.233   2.501
  170    HB3  LYS  27           1HB      LYS  27   2.619  -7.961   1.312
  171    HG2  LYS  27           2HG      LYS  27   4.041  -8.894  -0.433
  172    HG3  LYS  27           1HG      LYS  27   5.333  -9.140   0.743
  173    HD2  LYS  27           2HD      LYS  27   3.880 -10.661   2.006
  174    HD3  LYS  27           1HD      LYS  27   2.602 -10.423   0.813
  175    HE2  LYS  27           2HE      LYS  27   4.050 -11.361  -0.922
  176    HE3  LYS  27           1HE      LYS  27   5.328 -11.596   0.270
  177    HZ1  LYS  27           3HZ      LYS  27   4.102 -13.637  -0.137
  178    HZ2  LYS  27           1HZ      LYS  27   2.656 -12.891   0.329
  179    HZ3  LYS  27           2HZ      LYS  27   3.890 -13.125   1.462
  180    H    THR  28           H        THR  28   4.754  -4.113   1.210
  181    HA   THR  28           HA       THR  28   2.162  -3.343   2.357
  182    HB   THR  28           HB       THR  28   3.390  -1.696   3.860
  183    HG1  THR  28           1HG      THR  28   5.555  -2.664   4.447
  184   HG21  THR  28          3HG2      THR  28   2.253  -3.666   4.752
  185   HG22  THR  28          1HG2      THR  28   3.742  -3.347   5.642
  186   HG23  THR  28          2HG2      THR  28   3.689  -4.644   4.448
  187    H    CYS  29           H        CYS  29   1.652  -1.096   2.156
  188    HA   CYS  29           HA       CYS  29   2.547   0.002  -0.358
  189    HB2  CYS  29           2HB      CYS  29   0.350   0.573   1.574
  190    HB3  CYS  29           1HB      CYS  29   0.831   1.846   0.463
  191    H    LYS  30           H        LYS  30   4.054   1.490  -0.636
  192    HA   LYS  30           HA       LYS  30   4.792   3.254   1.605
  193    HB2  LYS  30           2HB      LYS  30   6.649   1.663  -0.165
  194    HB3  LYS  30           1HB      LYS  30   7.194   3.026   0.801
  195    HG2  LYS  30           2HG      LYS  30   6.214   1.755   2.798
  196    HG3  LYS  30           1HG      LYS  30   6.176   0.363   1.713
  197    HD2  LYS  30           2HD      LYS  30   8.577   0.592   1.325
  198    HD3  LYS  30           1HD      LYS  30   8.621   1.993   2.397
  199    HE2  LYS  30           2HE      LYS  30   7.887   0.591   4.260
  200    HE3  LYS  30           1HE      LYS  30   7.831  -0.809   3.189
  201    HZ1  LYS  30           3HZ      LYS  30  10.260   0.758   3.875
  202    HZ2  LYS  30           1HZ      LYS  30  10.214  -0.571   2.828
  203    HZ3  LYS  30           2HZ      LYS  30   9.869  -0.777   4.470
  204    H    ASP  31           H        ASP  31   6.002   5.192   0.927
  205    HA   ASP  31           HA       ASP  31   4.888   6.300  -1.522
  206    HB2  ASP  31           2HB      ASP  31   6.408   7.527   0.782
  207    HB3  ASP  31           1HB      ASP  31   5.949   8.439  -0.652
  208    H    LYS  32           H        LYS  32   6.059   7.063  -3.252
  209    HA   LYS  32           HA       LYS  32   8.761   5.982  -3.527
  210    HB2  LYS  32           2HB      LYS  32   6.710   5.834  -5.227
  211    HB3  LYS  32           1HB      LYS  32   7.375   7.364  -5.776
  212    HG2  LYS  32           2HG      LYS  32   9.529   6.289  -6.186
  213    HG3  LYS  32           1HG      LYS  32   8.869   4.752  -5.623
  214    HD2  LYS  32           2HD      LYS  32   7.225   4.795  -7.436
  215    HD3  LYS  32           1HD      LYS  32   7.879   6.337  -7.994
  216    HE2  LYS  32           2HE      LYS  32  10.036   5.265  -8.420
  217    HE3  LYS  32           1HE      LYS  32   9.387   3.727  -7.853
  218    HZ1  LYS  32           3HZ      LYS  32   9.364   3.846 -10.258
  219    HZ2  LYS  32           1HZ      LYS  32   8.427   5.254 -10.213
  220    HZ3  LYS  32           2HZ      LYS  32   7.781   3.790  -9.667
  221    H    SER  33           H        SER  33  10.546   7.207  -4.077
  222    HA   SER  33           HA       SER  33  10.250  10.134  -3.962
  223    HB2  SER  33           2HB      SER  33  11.113   9.187  -1.804
  224    HB3  SER  33           1HB      SER  33  12.514   8.582  -2.686
  225    HG   SER  33           HG       SER  33  12.361  11.081  -3.349
  226    H    SER  34           H        SER  34  12.293   7.412  -4.974
  227    HA   SER  34           HA       SER  34  13.631   9.134  -6.940
  228    HB2  SER  34           2HB      SER  34  15.022   7.736  -5.380
  229    HB3  SER  34           1HB      SER  34  14.348   6.301  -6.151
  230    HG   SER  34           HG       SER  34  15.830   6.544  -7.603
  231    H    ALA  35           H        ALA  35  13.515   8.767  -9.106
  232    HA   ALA  35           HA       ALA  35  11.455   6.881 -10.003
  233    HB1  ALA  35           1HB      ALA  35  11.322   8.233 -12.027
  234    HB2  ALA  35           2HB      ALA  35  12.650   9.242 -11.454
  235    HB3  ALA  35           3HB      ALA  35  11.113   9.234 -10.590
  Start of MODEL    6
    1    H1   GLY   1           1HT      GLY   1 -12.718   3.656  -7.003
    2    H2   GLY   1           2HT      GLY   1 -11.293   3.877  -6.120
    3    H3   GLY   1           3HT      GLY   1 -12.525   5.032  -6.038
    4    HA2  GLY   1           1HA      GLY   1 -13.996   3.434  -4.974
    5    HA3  GLY   1           2HA      GLY   1 -12.714   2.236  -5.058
    6    H    TRP   2           H        TRP   2 -11.948   1.891  -3.093
    7    HA   TRP   2           HA       TRP   2 -11.773   4.092  -1.171
    8    HB2  TRP   2           2HB      TRP   2 -11.534   1.096  -0.852
    9    HB3  TRP   2           1HB      TRP   2 -11.236   2.234   0.458
   10    HD1  TRP   2           HD       TRP   2 -14.062   0.766  -1.654
   11    HE1  TRP   2           1HE      TRP   2 -16.310   1.283  -0.514
   12    HE3  TRP   2           3HE      TRP   2 -12.412   3.914   2.037
   13    HZ2  TRP   2           2HZ      TRP   2 -17.261   2.815   1.653
   14    HZ3  TRP   2           3HZ      TRP   2 -14.061   4.859   3.598
   15    HH2  TRP   2           HH       TRP   2 -16.434   4.321   3.408
   16    H    CYS   3           H        CYS   3  -9.907   4.921  -0.440
   17    HA   CYS   3           HA       CYS   3  -7.416   3.937  -1.644
   18    HB2  CYS   3           2HB      CYS   3  -8.251   6.384  -1.850
   19    HB3  CYS   3           1HB      CYS   3  -7.705   6.551  -0.186
   20    H    GLY   4           H        GLY   4  -5.725   3.237  -0.443
   21    HA2  GLY   4           2HA      GLY   4  -6.221   2.810   2.415
   22    HA3  GLY   4           1HA      GLY   4  -5.042   1.956   1.432
   23    H    ASP   5           H        ASP   5  -4.879   3.436   4.032
   24    HA   ASP   5           HA       ASP   5  -3.182   5.717   3.523
   25    HB2  ASP   5           2HB      ASP   5  -4.070   4.294   6.032
   26    HB3  ASP   5           1HB      ASP   5  -2.918   5.623   6.070
   27    HA   HYP   6           HA       HYP   6   0.887   3.849   3.473
   28    HB2  HYP   6           2HB      HYP   6   1.709   5.516   5.800
   29    HB3  HYP   6           1HB      HYP   6   2.440   5.389   4.187
   30    HG   HYP   6           2HG      HYP   6   1.058   7.552   4.861
   31   HD22  HYP   6          1HD       HYP   6  -1.270   6.837   3.666
   32   HD23  HYP   6          2HD       HYP   6  -1.028   6.706   5.421
   33    HD1  HYP   6           1HG      HYP   6   0.121   7.118   2.464
   34    H    GLY   7           H        GLY   7   1.543   1.948   4.192
   35    HA2  GLY   7           2HA      GLY   7   2.428   0.549   5.950
   36    HA3  GLY   7           1HA      GLY   7   1.297   1.306   7.060
   37    H    ALA   8           H        ALA   8  -0.081   0.622   4.040
   38    HA   ALA   8           HA       ALA   8  -1.610  -1.597   5.174
   39    HB1  ALA   8           1HB      ALA   8  -2.846   0.292   4.222
   40    HB2  ALA   8           2HB      ALA   8  -3.178  -1.205   3.351
   41    HB3  ALA   8           3HB      ALA   8  -2.089  -0.003   2.657
   42    H    THR   9           H        THR   9  -1.998  -3.530   3.997
   43    HA   THR   9           HA       THR   9   0.326  -4.516   2.592
   44    HB   THR   9           HB       THR   9  -2.202  -6.109   2.935
   45    HG1  THR   9           1HG      THR   9  -1.103  -6.669   5.063
   46   HG21  THR   9          3HG2      THR   9  -0.622  -7.958   3.281
   47   HG22  THR   9          1HG2      THR   9   0.729  -6.835   3.127
   48   HG23  THR   9          2HG2      THR   9  -0.322  -7.146   1.744
   49    H    CYS  10           H        CYS  10   0.509  -5.028   0.464
   50    HA   CYS  10           HA       CYS  10  -1.586  -4.055  -1.333
   51    HB2  CYS  10           2HB      CYS  10   1.274  -4.859  -1.907
   52    HB3  CYS  10           1HB      CYS  10   0.154  -4.177  -3.080
   53    H    GLY  11           H        GLY  11  -2.307  -5.269  -3.143
   54    HA2  GLY  11           2HA      GLY  11  -1.641  -7.841  -3.878
   55    HA3  GLY  11           1HA      GLY  11  -2.799  -8.027  -2.570
   56    H    LYS  12           H        LYS  12  -4.135  -9.091  -4.168
   57    HA   LYS  12           HA       LYS  12  -5.354  -7.344  -6.179
   58    HB2  LYS  12           2HB      LYS  12  -5.392 -10.327  -5.758
   59    HB3  LYS  12           1HB      LYS  12  -6.503  -9.535  -6.868
   60    HG2  LYS  12           2HG      LYS  12  -4.600  -8.648  -8.129
   61    HG3  LYS  12           1HG      LYS  12  -3.496  -9.468  -7.024
   62    HD2  LYS  12           2HD      LYS  12  -4.427 -11.628  -7.682
   63    HD3  LYS  12           1HD      LYS  12  -5.560 -10.817  -8.765
   64    HE2  LYS  12           2HE      LYS  12  -3.799 -11.576 -10.135
   65    HE3  LYS  12           1HE      LYS  12  -3.536  -9.847  -9.935
   66    HZ1  LYS  12           3HZ      LYS  12  -1.886 -10.332  -8.235
   67    HZ2  LYS  12           1HZ      LYS  12  -1.479 -11.085  -9.694
   68    HZ3  LYS  12           2HZ      LYS  12  -2.139 -11.992  -8.429
   69    H    LEU  13           H        LEU  13  -6.255  -9.409  -3.431
   70    HA   LEU  13           HA       LEU  13  -8.997  -8.406  -3.485
   71    HB2  LEU  13           2HB      LEU  13  -7.631 -10.508  -1.803
   72    HB3  LEU  13           1HB      LEU  13  -9.297 -10.020  -1.565
   73    HG   LEU  13           HG       LEU  13  -9.488 -10.660  -4.133
   74   HD11  LEU  13          1HD1      LEU  13  -7.124 -11.173  -4.426
   75   HD12  LEU  13          2HD1      LEU  13  -8.115 -12.611  -4.664
   76   HD13  LEU  13          3HD1      LEU  13  -7.223 -12.397  -3.159
   77   HD21  LEU  13          3HD2      LEU  13  -9.438 -12.655  -1.873
   78   HD22  LEU  13          1HD2      LEU  13 -10.219 -12.896  -3.435
   79   HD23  LEU  13          2HD2      LEU  13 -10.801 -11.640  -2.342
   80    H    ARG  14           H        ARG  14  -6.124  -7.387  -2.249
   81    HA   ARG  14           HA       ARG  14  -7.134  -6.372   0.293
   82    HB2  ARG  14           2HB      ARG  14  -4.415  -6.416  -1.011
   83    HB3  ARG  14           1HB      ARG  14  -4.730  -5.466   0.435
   84    HG2  ARG  14           2HG      ARG  14  -5.063  -7.349   1.754
   85    HG3  ARG  14           1HG      ARG  14  -5.383  -8.385   0.362
   86    HD2  ARG  14           2HD      ARG  14  -3.070  -8.316  -0.287
   87    HD3  ARG  14           1HD      ARG  14  -2.710  -7.129   0.964
   88    HE   ARG  14           HE       ARG  14  -3.715  -9.252   2.339
   89   HH11  ARG  14          1HH1      ARG  14  -1.067  -8.905   0.058
   90   HH12  ARG  14          2HH1      ARG  14  -0.145 -10.194   0.755
   91   HH21  ARG  14          1HH2      ARG  14  -2.490 -10.936   3.236
   92   HH22  ARG  14          2HH2      ARG  14  -0.952 -11.342   2.553
   93    H    LEU  15           H        LEU  15  -6.406  -4.010   0.796
   94    HA   LEU  15           HA       LEU  15  -7.758  -2.287  -1.058
   95    HB2  LEU  15           2HB      LEU  15  -7.282  -2.260   1.656
   96    HB3  LEU  15           1HB      LEU  15  -6.226  -0.990   1.075
   97    HG   LEU  15           HG       LEU  15  -9.126  -1.025   0.291
   98   HD11  LEU  15          1HD1      LEU  15  -9.082  -1.214   2.720
   99   HD12  LEU  15          2HD1      LEU  15  -9.618   0.389   2.217
  100   HD13  LEU  15          3HD1      LEU  15  -7.974   0.156   2.813
  101   HD21  LEU  15          3HD2      LEU  15  -7.056   1.150   0.604
  102   HD22  LEU  15          1HD2      LEU  15  -8.754   1.426   0.214
  103   HD23  LEU  15          2HD2      LEU  15  -7.726   0.534  -0.906
  104    H    TYR  16           H        TYR  16  -6.912  -0.408  -2.065
  105    HA   TYR  16           HA       TYR  16  -4.253  -0.765  -3.141
  106    HB2  TYR  16           2HB      TYR  16  -6.458   1.217  -3.721
  107    HB3  TYR  16           1HB      TYR  16  -4.889   1.269  -4.519
  108    HD1  TYR  16           2HD      TYR  16  -4.264  -0.424  -6.149
  109    HD2  TYR  16           1HD      TYR  16  -8.055  -0.544  -4.223
  110    HE1  TYR  16           2HE      TYR  16  -5.058  -2.040  -7.825
  111    HE2  TYR  16           1HE      TYR  16  -8.859  -2.161  -5.892
  112    HH   TYR  16           HH       TYR  16  -8.331  -2.850  -8.192
  113    H    CYS  17           H        CYS  17  -2.705   1.013  -3.298
  114    HA   CYS  17           HA       CYS  17  -2.437   2.401  -0.745
  115    HB2  CYS  17           2HB      CYS  17  -0.451   2.143  -3.008
  116    HB3  CYS  17           1HB      CYS  17  -0.120   2.760  -1.395
  117    H    CYS  18           H        CYS  18  -2.382   4.578  -0.491
  118    HA   CYS  18           HA       CYS  18  -3.553   6.227  -2.515
  119    HB2  CYS  18           2HB      CYS  18  -2.465   6.784   0.236
  120    HB3  CYS  18           1HB      CYS  18  -3.054   8.073  -0.807
  121    H    SER  19           H        SER  19  -0.340   5.332  -1.834
  122    HA   SER  19           HA       SER  19   0.832   7.728  -3.030
  123    HB2  SER  19           2HB      SER  19   2.147   5.284  -1.820
  124    HB3  SER  19           1HB      SER  19   2.998   6.712  -2.411
  125    HG   SER  19           HG       SER  19   0.974   6.928  -0.460
  126    H    GLY  20           H        GLY  20   0.151   4.384  -3.778
  127    HA2  GLY  20           2HA      GLY  20  -0.069   3.576  -5.991
  128    HA3  GLY  20           1HA      GLY  20   0.996   4.857  -6.542
  129    H    PHE  21           H        PHE  21   2.881   4.103  -4.244
  130    HA   PHE  21           HA       PHE  21   4.274   2.013  -5.736
  131    HB2  PHE  21           2HB      PHE  21   5.644   3.919  -5.358
  132    HB3  PHE  21           1HB      PHE  21   5.182   4.017  -3.669
  133    HD1  PHE  21           1HD      PHE  21   6.774   1.476  -5.944
  134    HD2  PHE  21           2HD      PHE  21   6.817   3.457  -2.173
  135    HE1  PHE  21           1HE      PHE  21   8.778   0.204  -5.294
  136    HE2  PHE  21           2HE      PHE  21   8.821   2.191  -1.529
  137    HZ   PHE  21           HZ       PHE  21   9.799   0.566  -3.082
  138    H    CYS  22           H        CYS  22   4.294   0.005  -5.122
  139    HA   CYS  22           HA       CYS  22   3.698  -0.689  -2.321
  140    HB2  CYS  22           2HB      CYS  22   2.958  -1.997  -4.917
  141    HB3  CYS  22           1HB      CYS  22   3.129  -2.985  -3.471
  142    H    ASP  23           H        ASP  23   5.290  -1.610  -1.207
  143    HA   ASP  23           HA       ASP  23   7.704  -2.475  -2.588
  144    HB2  ASP  23           2HB      ASP  23   7.165  -1.272  -0.080
  145    HB3  ASP  23           1HB      ASP  23   7.861  -2.855   0.254
  146    H    SER  24           H        SER  24   8.179  -4.507  -3.005
  147    HA   SER  24           HA       SER  24   6.400  -6.637  -2.199
  148    HB2  SER  24           2HB      SER  24   7.309  -6.406  -4.521
  149    HB3  SER  24           1HB      SER  24   8.903  -6.815  -3.889
  150    HG   SER  24           HG       SER  24   7.457  -8.561  -4.792
  151    H    TYR  25           H        TYR  25   9.139  -5.283  -0.821
  152    HA   TYR  25           HA       TYR  25  10.485  -7.609   0.140
  153    HB2  TYR  25           2HB      TYR  25  11.274  -5.102  -0.026
  154    HB3  TYR  25           1HB      TYR  25  10.594  -4.991   1.592
  155    HD1  TYR  25           1HD      TYR  25  13.262  -6.443  -0.457
  156    HD2  TYR  25           2HD      TYR  25  11.631  -6.143   3.461
  157    HE1  TYR  25           1HE      TYR  25  15.345  -7.362   0.474
  158    HE2  TYR  25           2HE      TYR  25  13.709  -7.061   4.403
  159    HH   TYR  25           HH       TYR  25  15.606  -8.447   3.676
  160    H    THR  26           H        THR  26   7.754  -5.760   1.216
  161    HA   THR  26           HA       THR  26   7.303  -7.649   3.410
  162    HB   THR  26           HB       THR  26   6.479  -5.721   4.840
  163    HG1  THR  26           1HG      THR  26   6.407  -4.097   3.262
  164   HG21  THR  26          3HG2      THR  26   9.429  -5.789   4.183
  165   HG22  THR  26          1HG2      THR  26   8.595  -6.855   5.314
  166   HG23  THR  26          2HG2      THR  26   8.716  -5.130   5.657
  167    H    LYS  27           H        LYS  27   6.187  -6.313   0.648
  168    HA   LYS  27           HA       LYS  27   4.203  -6.082  -0.422
  169    HB2  LYS  27           2HB      LYS  27   3.385  -8.080   1.692
  170    HB3  LYS  27           1HB      LYS  27   2.294  -7.557   0.416
  171    HG2  LYS  27           2HG      LYS  27   3.858  -8.398  -1.266
  172    HG3  LYS  27           1HG      LYS  27   4.948  -8.927   0.017
  173    HD2  LYS  27           2HD      LYS  27   3.216 -10.433   0.867
  174    HD3  LYS  27           1HD      LYS  27   2.124  -9.901  -0.413
  175    HE2  LYS  27           2HE      LYS  27   3.684 -10.757  -2.094
  176    HE3  LYS  27           1HE      LYS  27   4.773 -11.289  -0.814
  177    HZ1  LYS  27           3HZ      LYS  27   3.049 -12.785  -0.019
  178    HZ2  LYS  27           1HZ      LYS  27   3.424 -13.111  -1.637
  179    HZ3  LYS  27           2HZ      LYS  27   2.006 -12.275  -1.249
  180    H    THR  28           H        THR  28   4.675  -3.903   0.898
  181    HA   THR  28           HA       THR  28   2.061  -3.079   1.967
  182    HB   THR  28           HB       THR  28   3.287  -1.647   3.680
  183    HG1  THR  28           1HG      THR  28   5.374  -2.059   4.079
  184   HG21  THR  28          3HG2      THR  28   3.443  -3.471   5.317
  185   HG22  THR  28          1HG2      THR  28   3.387  -4.649   4.007
  186   HG23  THR  28          2HG2      THR  28   1.993  -3.617   4.324
  187    H    CYS  29           H        CYS  29   1.865  -0.699   2.169
  188    HA   CYS  29           HA       CYS  29   2.674   0.558  -0.291
  189    HB2  CYS  29           2HB      CYS  29   1.164   1.772   2.026
  190    HB3  CYS  29           1HB      CYS  29   1.212   2.348   0.370
  191    H    LYS  30           H        LYS  30   4.273   1.989  -0.605
  192    HA   LYS  30           HA       LYS  30   5.482   3.355   1.693
  193    HB2  LYS  30           2HB      LYS  30   6.970   1.663  -0.315
  194    HB3  LYS  30           1HB      LYS  30   7.768   2.883   0.666
  195    HG2  LYS  30           2HG      LYS  30   6.703   1.607   2.661
  196    HG3  LYS  30           1HG      LYS  30   6.543   0.291   1.494
  197    HD2  LYS  30           2HD      LYS  30   8.946   0.388   1.052
  198    HD3  LYS  30           1HD      LYS  30   9.109   1.707   2.213
  199    HE2  LYS  30           2HE      LYS  30   8.319   0.232   3.998
  200    HE3  LYS  30           1HE      LYS  30   8.153  -1.085   2.837
  201    HZ1  LYS  30           3HZ      LYS  30  10.693   0.280   3.556
  202    HZ2  LYS  30           1HZ      LYS  30  10.536  -0.984   2.441
  203    HZ3  LYS  30           2HZ      LYS  30  10.215  -1.257   4.079
  204    H    ASP  31           H        ASP  31   6.781   5.208   1.124
  205    HA   ASP  31           HA       ASP  31   5.766   6.586  -1.233
  206    HB2  ASP  31           2HB      ASP  31   7.369   7.513   1.154
  207    HB3  ASP  31           1HB      ASP  31   6.996   8.559  -0.213
  208    H    LYS  32           H        LYS  32   7.069   7.498  -2.844
  209    HA   LYS  32           HA       LYS  32   9.621   6.132  -3.245
  210    HB2  LYS  32           2HB      LYS  32   7.670   7.514  -5.028
  211    HB3  LYS  32           1HB      LYS  32   9.350   7.437  -5.539
  212    HG2  LYS  32           2HG      LYS  32   9.283   4.990  -5.326
  213    HG3  LYS  32           1HG      LYS  32   7.582   5.093  -4.874
  214    HD2  LYS  32           2HD      LYS  32   6.993   5.977  -7.015
  215    HD3  LYS  32           1HD      LYS  32   8.690   6.167  -7.463
  216    HE2  LYS  32           2HE      LYS  32   8.979   3.743  -7.405
  217    HE3  LYS  32           1HE      LYS  32   7.291   3.546  -6.938
  218    HZ1  LYS  32           3HZ      LYS  32   6.631   4.537  -9.042
  219    HZ2  LYS  32           1HZ      LYS  32   7.602   3.175  -9.302
  220    HZ3  LYS  32           2HZ      LYS  32   8.251   4.725  -9.489
  221    H    SER  33           H        SER  33   8.310   9.427  -3.088
  222    HA   SER  33           HA       SER  33  11.031  10.522  -3.125
  223    HB2  SER  33           2HB      SER  33   9.863  12.728  -3.410
  224    HB3  SER  33           1HB      SER  33   9.572  11.584  -4.719
  225    HG   SER  33           HG       SER  33   7.836  12.484  -2.711
  226    H    SER  34           H        SER  34  11.881  11.654  -1.446
  227    HA   SER  34           HA       SER  34  10.249  11.927   0.991
  228    HB2  SER  34           2HB      SER  34  11.842   9.990   1.118
  229    HB3  SER  34           1HB      SER  34  13.171  11.135   0.950
  230    HG   SER  34           HG       SER  34  11.396  10.760   3.091
  231    H    ALA  35           H        ALA  35  13.109  13.051  -0.787
  232    HA   ALA  35           HA       ALA  35  12.812  15.678   0.519
  233    HB1  ALA  35           1HB      ALA  35  15.221  15.991   0.345
  234    HB2  ALA  35           2HB      ALA  35  15.389  14.399  -0.393
  235    HB3  ALA  35           3HB      ALA  35  14.846  14.543   1.279
  Start of MODEL    7
    1    H1   GLY   1           1HT      GLY   1 -16.380   5.357  -4.388
    2    H2   GLY   1           2HT      GLY   1 -15.935   6.575  -3.301
    3    H3   GLY   1           3HT      GLY   1 -16.059   4.974  -2.772
    4    HA2  GLY   1           1HA      GLY   1 -14.214   4.325  -4.191
    5    HA3  GLY   1           2HA      GLY   1 -14.084   5.989  -4.741
    6    H    TRP   2           H        TRP   2 -13.284   3.721  -2.301
    7    HA   TRP   2           HA       TRP   2 -12.197   5.766  -0.510
    8    HB2  TRP   2           2HB      TRP   2 -12.456   2.765  -0.189
    9    HB3  TRP   2           1HB      TRP   2 -11.733   3.832   1.008
   10    HD1  TRP   2           HD       TRP   2 -13.347   5.239   2.538
   11    HE1  TRP   2           1HE      TRP   2 -15.890   5.196   2.931
   12    HE3  TRP   2           3HE      TRP   2 -14.753   2.351  -1.454
   13    HZ2  TRP   2           2HZ      TRP   2 -18.183   4.092   1.718
   14    HZ3  TRP   2           3HZ      TRP   2 -17.141   1.852  -1.759
   15    HH2  TRP   2           HH       TRP   2 -18.819   2.705  -0.205
   16    H    CYS   3           H        CYS   3 -10.018   5.753   0.167
   17    HA   CYS   3           HA       CYS   3  -8.169   4.448  -1.721
   18    HB2  CYS   3           2HB      CYS   3  -8.233   6.944  -1.858
   19    HB3  CYS   3           1HB      CYS   3  -7.688   7.012  -0.186
   20    H    GLY   4           H        GLY   4  -6.182   3.659  -0.910
   21    HA2  GLY   4           2HA      GLY   4  -6.387   2.591   1.788
   22    HA3  GLY   4           1HA      GLY   4  -5.206   2.143   0.571
   23    H    ASP   5           H        ASP   5  -5.157   3.070   3.499
   24    HA   ASP   5           HA       ASP   5  -3.514   5.463   3.380
   25    HB2  ASP   5           2HB      ASP   5  -4.545   3.760   5.650
   26    HB3  ASP   5           1HB      ASP   5  -3.428   5.094   5.907
   27    HA   HYP   6           HA       HYP   6   0.533   3.555   3.423
   28    HB2  HYP   6           2HB      HYP   6   1.298   5.080   5.852
   29    HB3  HYP   6           1HB      HYP   6   2.037   5.085   4.238
   30    HG   HYP   6           2HG      HYP   6   0.624   7.175   5.087
   31   HD22  HYP   6          1HD       HYP   6  -1.674   6.562   3.800
   32   HD23  HYP   6          2HD       HYP   6  -1.458   6.239   5.534
   33    HD1  HYP   6           1HG      HYP   6   0.682   7.677   3.002
   34    H    GLY   7           H        GLY   7   1.122   1.610   4.080
   35    HA2  GLY   7           2HA      GLY   7   1.943   0.175   5.869
   36    HA3  GLY   7           1HA      GLY   7   0.684   0.839   6.898
   37    H    ALA   8           H        ALA   8  -0.377   0.261   3.729
   38    HA   ALA   8           HA       ALA   8  -1.969  -2.018   4.609
   39    HB1  ALA   8           1HB      ALA   8  -3.283  -1.639   2.599
   40    HB2  ALA   8           2HB      ALA   8  -2.119  -0.437   2.042
   41    HB3  ALA   8           3HB      ALA   8  -3.080  -0.129   3.488
   42    H    THR   9           H        THR   9  -2.144  -3.959   3.387
   43    HA   THR   9           HA       THR   9   0.386  -4.845   2.275
   44    HB   THR   9           HB       THR   9  -1.990  -6.653   2.303
   45    HG1  THR   9           1HG      THR   9  -0.969  -6.856   4.702
   46   HG21  THR   9          3HG2      THR   9   0.897  -7.000   3.129
   47   HG22  THR   9          1HG2      THR   9   0.191  -7.498   1.591
   48   HG23  THR   9          2HG2      THR   9  -0.319  -8.276   3.090
   49    H    CYS  10           H        CYS  10   0.823  -5.282   0.188
   50    HA   CYS  10           HA       CYS  10  -1.255  -4.666  -1.798
   51    HB2  CYS  10           2HB      CYS  10   1.748  -4.818  -2.151
   52    HB3  CYS  10           1HB      CYS  10   0.587  -4.304  -3.371
   53    H    GLY  11           H        GLY  11  -2.090  -6.207  -3.043
   54    HA2  GLY  11           2HA      GLY  11  -1.757  -8.109  -4.519
   55    HA3  GLY  11           1HA      GLY  11  -0.611  -8.745  -3.351
   56    H    LYS  12           H        LYS  12  -2.301  -8.182  -1.039
   57    HA   LYS  12           HA       LYS  12  -4.044 -10.509  -1.255
   58    HB2  LYS  12           2HB      LYS  12  -3.024  -8.904   1.080
   59    HB3  LYS  12           1HB      LYS  12  -4.281 -10.117   1.267
   60    HG2  LYS  12           2HG      LYS  12  -2.757 -11.823   0.387
   61    HG3  LYS  12           1HG      LYS  12  -1.494 -10.601   0.228
   62    HD2  LYS  12           2HD      LYS  12  -1.563 -10.214   2.642
   63    HD3  LYS  12           1HD      LYS  12  -2.836 -11.426   2.803
   64    HE2  LYS  12           2HE      LYS  12  -1.306 -13.136   1.944
   65    HE3  LYS  12           1HE      LYS  12  -0.036 -11.923   1.794
   66    HZ1  LYS  12           3HZ      LYS  12  -1.340 -12.752   4.330
   67    HZ2  LYS  12           1HZ      LYS  12  -0.117 -11.591   4.185
   68    HZ3  LYS  12           2HZ      LYS  12   0.206 -13.212   3.820
   69    H    LEU  13           H        LEU  13  -4.272  -7.050  -0.542
   70    HA   LEU  13           HA       LEU  13  -7.174  -7.233  -0.253
   71    HB2  LEU  13           2HB      LEU  13  -5.160  -5.063   0.269
   72    HB3  LEU  13           1HB      LEU  13  -6.860  -4.678   0.144
   73    HG   LEU  13           HG       LEU  13  -6.213  -4.827   2.466
   74   HD11  LEU  13          1HD1      LEU  13  -8.465  -5.695   1.719
   75   HD12  LEU  13          2HD1      LEU  13  -7.904  -6.208   3.310
   76   HD13  LEU  13          3HD1      LEU  13  -7.804  -7.315   1.941
   77   HD21  LEU  13          3HD2      LEU  13  -5.321  -7.647   1.887
   78   HD22  LEU  13          1HD2      LEU  13  -5.426  -6.912   3.488
   79   HD23  LEU  13          2HD2      LEU  13  -4.286  -6.280   2.300
   80    H    ARG  14           H        ARG  14  -8.605  -5.894  -1.462
   81    HA   ARG  14           HA       ARG  14  -7.807  -5.618  -4.248
   82    HB2  ARG  14           2HB      ARG  14 -10.467  -5.491  -2.834
   83    HB3  ARG  14           1HB      ARG  14 -10.292  -5.073  -4.532
   84    HG2  ARG  14           2HG      ARG  14  -9.463  -7.316  -5.011
   85    HG3  ARG  14           1HG      ARG  14  -9.609  -7.738  -3.304
   86    HD2  ARG  14           2HD      ARG  14 -12.023  -7.333  -3.416
   87    HD3  ARG  14           1HD      ARG  14 -11.871  -6.921  -5.125
   88    HE   ARG  14           HE       ARG  14 -10.785  -9.456  -4.794
   89   HH11  ARG  14          1HH1      ARG  14 -13.945  -7.960  -4.462
   90   HH12  ARG  14          2HH1      ARG  14 -14.802  -9.418  -4.833
   91   HH21  ARG  14          1HH2      ARG  14 -11.927 -11.353  -5.278
   92   HH22  ARG  14          2HH2      ARG  14 -13.659 -11.337  -5.296
   93    H    LEU  15           H        LEU  15  -7.903  -3.632  -1.552
   94    HA   LEU  15           HA       LEU  15  -8.568  -1.181  -2.975
   95    HB2  LEU  15           2HB      LEU  15  -9.469  -1.384  -0.759
   96    HB3  LEU  15           1HB      LEU  15  -7.906  -1.787  -0.092
   97    HG   LEU  15           HG       LEU  15  -7.147   0.541  -0.500
   98   HD11  LEU  15          1HD1      LEU  15  -8.640   1.084  -2.380
   99   HD12  LEU  15          2HD1      LEU  15  -8.721   2.277  -1.084
  100   HD13  LEU  15          3HD1      LEU  15 -10.012   1.088  -1.269
  101   HD21  LEU  15          3HD2      LEU  15  -8.419   1.555   1.290
  102   HD22  LEU  15          1HD2      LEU  15  -8.104  -0.141   1.657
  103   HD23  LEU  15          2HD2      LEU  15  -9.699   0.361   1.092
  104    H    TYR  16           H        TYR  16  -7.156   0.344  -3.607
  105    HA   TYR  16           HA       TYR  16  -4.320  -0.337  -3.577
  106    HB2  TYR  16           2HB      TYR  16  -5.894   1.745  -5.104
  107    HB3  TYR  16           1HB      TYR  16  -4.145   1.580  -5.208
  108    HD1  TYR  16           2HD      TYR  16  -7.367   0.090  -6.108
  109    HD2  TYR  16           1HD      TYR  16  -3.139  -0.296  -6.379
  110    HE1  TYR  16           2HE      TYR  16  -7.641  -1.593  -7.880
  111    HE2  TYR  16           1HE      TYR  16  -3.401  -1.979  -8.153
  112    HH   TYR  16           HH       TYR  16  -6.343  -2.526  -9.748
  113    H    CYS  17           H        CYS  17  -2.693   1.193  -3.007
  114    HA   CYS  17           HA       CYS  17  -3.451   2.835  -0.732
  115    HB2  CYS  17           2HB      CYS  17  -0.823   1.826  -1.780
  116    HB3  CYS  17           1HB      CYS  17  -0.896   3.069  -0.535
  117    H    CYS  18           H        CYS  18  -3.216   4.986  -0.541
  118    HA   CYS  18           HA       CYS  18  -3.531   6.653  -2.739
  119    HB2  CYS  18           2HB      CYS  18  -2.523   7.417   0.002
  120    HB3  CYS  18           1HB      CYS  18  -3.242   8.504  -1.180
  121    H    SER  19           H        SER  19  -0.569   5.418  -1.440
  122    HA   SER  19           HA       SER  19   1.115   7.522  -2.495
  123    HB2  SER  19           2HB      SER  19   1.827   4.828  -1.312
  124    HB3  SER  19           1HB      SER  19   2.981   6.099  -1.717
  125    HG   SER  19           HG       SER  19   1.910   7.437  -0.194
  126    H    GLY  20           H        GLY  20  -0.022   4.375  -3.533
  127    HA2  GLY  20           2HA      GLY  20  -0.070   3.553  -5.712
  128    HA3  GLY  20           1HA      GLY  20   0.988   4.862  -6.206
  129    H    PHE  21           H        PHE  21   2.951   4.143  -4.042
  130    HA   PHE  21           HA       PHE  21   4.356   2.112  -5.575
  131    HB2  PHE  21           2HB      PHE  21   5.678   4.028  -5.077
  132    HB3  PHE  21           1HB      PHE  21   5.206   4.011  -3.387
  133    HD1  PHE  21           1HD      PHE  21   6.840   1.620  -5.787
  134    HD2  PHE  21           2HD      PHE  21   6.876   3.438  -1.934
  135    HE1  PHE  21           1HE      PHE  21   8.877   0.363  -5.211
  136    HE2  PHE  21           2HE      PHE  21   8.914   2.187  -1.364
  137    HZ   PHE  21           HZ       PHE  21   9.912   0.651  -2.996
  138    H    CYS  22           H        CYS  22   4.360   0.067  -5.086
  139    HA   CYS  22           HA       CYS  22   3.810  -0.788  -2.323
  140    HB2  CYS  22           2HB      CYS  22   3.059  -1.993  -4.970
  141    HB3  CYS  22           1HB      CYS  22   3.181  -3.006  -3.536
  142    H    ASP  23           H        ASP  23   5.429  -1.728  -1.288
  143    HA   ASP  23           HA       ASP  23   7.831  -2.502  -2.735
  144    HB2  ASP  23           2HB      ASP  23   7.300  -1.425  -0.169
  145    HB3  ASP  23           1HB      ASP  23   8.028  -3.009   0.083
  146    H    SER  24           H        SER  24   8.322  -4.499  -3.267
  147    HA   SER  24           HA       SER  24   6.621  -6.707  -2.487
  148    HB2  SER  24           2HB      SER  24   8.992  -6.600  -4.363
  149    HB3  SER  24           1HB      SER  24   7.926  -7.989  -4.149
  150    HG   SER  24           HG       SER  24   6.554  -5.695  -4.665
  151    H    TYR  25           H        TYR  25   9.446  -5.351  -1.252
  152    HA   TYR  25           HA       TYR  25  10.820  -7.718  -0.410
  153    HB2  TYR  25           2HB      TYR  25  11.685  -5.255  -0.663
  154    HB3  TYR  25           1HB      TYR  25  11.108  -5.079   0.988
  155    HD1  TYR  25           2HD      TYR  25  12.209  -6.246   2.822
  156    HD2  TYR  25           1HD      TYR  25  13.609  -6.648  -1.175
  157    HE1  TYR  25           2HE      TYR  25  14.309  -7.211   3.661
  158    HE2  TYR  25           1HE      TYR  25  15.713  -7.614  -0.347
  159    HH   TYR  25           HH       TYR  25  17.056  -7.611   1.714
  160    H    THR  26           H        THR  26   8.141  -5.926   0.772
  161    HA   THR  26           HA       THR  26   7.923  -7.695   3.099
  162    HB   THR  26           HB       THR  26   7.045  -5.727   4.440
  163    HG1  THR  26           1HG      THR  26   6.918  -3.899   3.399
  164   HG21  THR  26          3HG2      THR  26   9.249  -6.690   4.875
  165   HG22  THR  26          1HG2      THR  26   9.279  -4.939   5.089
  166   HG23  THR  26          2HG2      THR  26   9.956  -5.662   3.628
  167    H    LYS  27           H        LYS  27   6.584  -6.571   0.325
  168    HA   LYS  27           HA       LYS  27   4.538  -6.545  -0.653
  169    HB2  LYS  27           2HB      LYS  27   3.981  -8.491   1.590
  170    HB3  LYS  27           1HB      LYS  27   2.794  -8.119   0.346
  171    HG2  LYS  27           2HG      LYS  27   4.331  -8.929  -1.370
  172    HG3  LYS  27           1HG      LYS  27   5.531  -9.288  -0.128
  173    HD2  LYS  27           2HD      LYS  27   3.982 -10.883   0.903
  174    HD3  LYS  27           1HD      LYS  27   2.786 -10.525  -0.346
  175    HE2  LYS  27           2HE      LYS  27   4.330 -11.346  -2.057
  176    HE3  LYS  27           1HE      LYS  27   5.528 -11.697  -0.811
  177    HZ1  LYS  27           3HZ      LYS  27   3.990 -13.286   0.166
  178    HZ2  LYS  27           1HZ      LYS  27   4.315 -13.681  -1.448
  179    HZ3  LYS  27           2HZ      LYS  27   2.845 -12.952  -1.034
  180    H    THR  28           H        THR  28   5.040  -4.346   0.892
  181    HA   THR  28           HA       THR  28   2.341  -3.606   1.809
  182    HB   THR  28           HB       THR  28   3.434  -2.214   3.636
  183    HG1  THR  28           1HG      THR  28   5.500  -2.969   4.313
  184   HG21  THR  28          3HG2      THR  28   2.171  -4.243   4.142
  185   HG22  THR  28          1HG2      THR  28   3.563  -4.090   5.214
  186   HG23  THR  28          2HG2      THR  28   3.612  -5.221   3.861
  187    H    CYS  29           H        CYS  29   2.016  -1.270   1.976
  188    HA   CYS  29           HA       CYS  29   3.049   0.053  -0.364
  189    HB2  CYS  29           2HB      CYS  29   1.156   1.109   1.736
  190    HB3  CYS  29           1HB      CYS  29   1.414   1.760   0.124
  191    H    LYS  30           H        LYS  30   4.540   1.593  -0.488
  192    HA   LYS  30           HA       LYS  30   5.474   2.919   1.966
  193    HB2  LYS  30           2HB      LYS  30   7.172   1.542  -0.113
  194    HB3  LYS  30           1HB      LYS  30   7.828   2.736   0.997
  195    HG2  LYS  30           2HG      LYS  30   6.878   1.231   2.851
  196    HG3  LYS  30           1HG      LYS  30   6.751   0.006   1.586
  197    HD2  LYS  30           2HD      LYS  30   9.141   0.223   1.127
  198    HD3  LYS  30           1HD      LYS  30   9.272   1.460   2.381
  199    HE2  LYS  30           2HE      LYS  30   8.562  -0.172   4.061
  200    HE3  LYS  30           1HE      LYS  30   8.430  -1.406   2.808
  201    HZ1  LYS  30           3HZ      LYS  30  10.803  -1.174   2.390
  202    HZ2  LYS  30           1HZ      LYS  30  10.513  -1.596   4.003
  203    HZ3  LYS  30           2HZ      LYS  30  10.925  -0.005   3.606
  204    H    ASP  31           H        ASP  31   6.725   4.902   1.542
  205    HA   ASP  31           HA       ASP  31   5.551   6.411  -0.652
  206    HB2  ASP  31           2HB      ASP  31   7.203   7.222   1.744
  207    HB3  ASP  31           1HB      ASP  31   6.717   8.357   0.488
  208    H    LYS  32           H        LYS  32   6.578   7.009  -2.453
  209    HA   LYS  32           HA       LYS  32   9.350   6.167  -2.830
  210    HB2  LYS  32           2HB      LYS  32   7.278   5.779  -4.437
  211    HB3  LYS  32           1HB      LYS  32   7.714   7.379  -5.019
  212    HG2  LYS  32           2HG      LYS  32   9.971   6.573  -5.531
  213    HG3  LYS  32           1HG      LYS  32   9.519   4.966  -4.960
  214    HD2  LYS  32           2HD      LYS  32   7.799   4.834  -6.697
  215    HD3  LYS  32           1HD      LYS  32   8.244   6.445  -7.263
  216    HE2  LYS  32           2HE      LYS  32  10.493   5.634  -7.792
  217    HE3  LYS  32           1HE      LYS  32  10.043   4.024  -7.230
  218    HZ1  LYS  32           3HZ      LYS  32   8.374   3.923  -8.976
  219    HZ2  LYS  32           1HZ      LYS  32   9.910   4.193  -9.634
  220    HZ3  LYS  32           2HZ      LYS  32   8.806   5.468  -9.513
  221    H    SER  33           H        SER  33  11.002   7.535  -2.811
  222    HA   SER  33           HA       SER  33  10.519  10.401  -3.272
  223    HB2  SER  33           2HB      SER  33  12.250  10.872  -1.509
  224    HB3  SER  33           1HB      SER  33  10.759  10.166  -0.887
  225    HG   SER  33           HG       SER  33  12.279   8.134  -1.443
  226    H    SER  34           H        SER  34  12.176  11.553  -4.256
  227    HA   SER  34           HA       SER  34  14.224   9.898  -5.569
  228    HB2  SER  34           2HB      SER  34  14.295  11.748  -7.270
  229    HB3  SER  34           1HB      SER  34  12.747  10.909  -7.180
  230    HG   SER  34           HG       SER  34  12.069  12.921  -7.046
  231    H    ALA  35           H        ALA  35  16.337  10.357  -5.365
  232    HA   ALA  35           HA       ALA  35  17.078  12.514  -3.522
  233    HB1  ALA  35           1HB      ALA  35  17.782  10.248  -2.912
  234    HB2  ALA  35           2HB      ALA  35  19.166  11.302  -3.196
  235    HB3  ALA  35           3HB      ALA  35  18.688  10.125  -4.419
  Start of MODEL    8
    1    H1   GLY   1           1HT      GLY   1  -9.400   4.111  -6.497
    2    H2   GLY   1           2HT      GLY   1 -10.725   5.158  -6.568
    3    H3   GLY   1           3HT      GLY   1 -10.655   3.814  -7.591
    4    HA2  GLY   1           1HA      GLY   1 -12.195   3.408  -5.783
    5    HA3  GLY   1           2HA      GLY   1 -10.819   2.316  -5.714
    6    H    TRP   2           H        TRP   2 -10.820   1.911  -3.556
    7    HA   TRP   2           HA       TRP   2 -10.735   4.153  -1.675
    8    HB2  TRP   2           2HB      TRP   2 -10.988   1.171  -1.226
    9    HB3  TRP   2           1HB      TRP   2 -10.902   2.360   0.068
   10    HD1  TRP   2           HD       TRP   2 -13.256   1.034  -2.630
   11    HE1  TRP   2           1HE      TRP   2 -15.640   1.867  -2.142
   12    HE3  TRP   2           3HE      TRP   2 -12.229   4.285   1.194
   13    HZ2  TRP   2           2HZ      TRP   2 -16.918   3.658  -0.381
   14    HZ3  TRP   2           3HZ      TRP   2 -14.094   5.517   2.222
   15    HH2  TRP   2           HH       TRP   2 -16.389   5.209   1.449
   16    H    CYS   3           H        CYS   3  -8.935   4.799  -0.678
   17    HA   CYS   3           HA       CYS   3  -6.478   3.239  -1.108
   18    HB2  CYS   3           2HB      CYS   3  -6.834   6.192  -0.563
   19    HB3  CYS   3           1HB      CYS   3  -5.280   5.381  -0.719
   20    H    GLY   4           H        GLY   4  -5.030   2.900   0.571
   21    HA2  GLY   4           2HA      GLY   4  -6.247   2.974   3.241
   22    HA3  GLY   4           1HA      GLY   4  -4.923   1.938   2.742
   23    H    ASP   5           H        ASP   5  -4.268   2.871   4.946
   24    HA   ASP   5           HA       ASP   5  -3.008   5.504   4.757
   25    HB2  ASP   5           2HB      ASP   5  -3.516   3.594   7.036
   26    HB3  ASP   5           1HB      ASP   5  -2.463   4.991   7.219
   27    HA   HYP   6           HA       HYP   6   1.157   4.102   3.948
   28    HB2  HYP   6           2HB      HYP   6   2.562   5.401   6.006
   29    HB3  HYP   6           1HB      HYP   6   2.194   6.084   4.411
   30    HG   HYP   6           2HG      HYP   6   0.819   6.521   7.016
   31   HD22  HYP   6          1HD       HYP   6  -0.702   6.841   4.442
   32   HD23  HYP   6          2HD       HYP   6  -1.314   6.535   6.082
   33    HD1  HYP   6           1HG      HYP   6   1.970   8.007   5.159
   34    H    GLY   7           H        GLY   7   1.664   2.070   4.323
   35    HA2  GLY   7           2HA      GLY   7   2.941   0.528   5.704
   36    HA3  GLY   7           1HA      GLY   7   2.102   1.178   7.105
   37    H    ALA   8           H        ALA   8   0.079   0.795   4.415
   38    HA   ALA   8           HA       ALA   8  -1.350  -1.393   5.672
   39    HB1  ALA   8           1HB      ALA   8  -2.005   0.188   3.185
   40    HB2  ALA   8           2HB      ALA   8  -2.576   0.549   4.815
   41    HB3  ALA   8           3HB      ALA   8  -3.080  -0.938   4.014
   42    H    THR   9           H        THR   9  -1.968  -3.325   4.581
   43    HA   THR   9           HA       THR   9   0.144  -4.503   3.031
   44    HB   THR   9           HB       THR   9  -2.480  -5.901   3.363
   45    HG1  THR   9           1HG      THR   9  -2.323  -6.006   5.492
   46   HG21  THR   9          3HG2      THR   9  -1.022  -7.823   3.813
   47   HG22  THR   9          1HG2      THR   9   0.394  -6.776   3.716
   48   HG23  THR   9          2HG2      THR   9  -0.601  -7.049   2.285
   49    H    CYS  10           H        CYS  10   0.342  -4.496   0.904
   50    HA   CYS  10           HA       CYS  10  -2.023  -3.951  -0.770
   51    HB2  CYS  10           2HB      CYS  10  -0.237  -2.229  -0.854
   52    HB3  CYS  10           1HB      CYS  10   0.893  -3.455  -1.416
   53    H    GLY  11           H        GLY  11  -2.414  -5.190  -2.590
   54    HA2  GLY  11           2HA      GLY  11  -0.708  -7.116  -3.702
   55    HA3  GLY  11           1HA      GLY  11  -1.695  -7.911  -2.486
   56    H    LYS  12           H        LYS  12  -2.960  -9.151  -3.760
   57    HA   LYS  12           HA       LYS  12  -4.409  -7.915  -5.978
   58    HB2  LYS  12           2HB      LYS  12  -5.116 -10.282  -6.499
   59    HB3  LYS  12           1HB      LYS  12  -3.399  -9.956  -6.637
   60    HG2  LYS  12           2HG      LYS  12  -3.009 -11.043  -4.480
   61    HG3  LYS  12           1HG      LYS  12  -4.737 -11.350  -4.317
   62    HD2  LYS  12           2HD      LYS  12  -3.396 -12.314  -6.788
   63    HD3  LYS  12           1HD      LYS  12  -3.052 -13.175  -5.287
   64    HE2  LYS  12           2HE      LYS  12  -5.448 -13.532  -4.942
   65    HE3  LYS  12           1HE      LYS  12  -5.797 -12.656  -6.432
   66    HZ1  LYS  12           3HZ      LYS  12  -4.242 -15.181  -6.240
   67    HZ2  LYS  12           1HZ      LYS  12  -4.599 -14.347  -7.669
   68    HZ3  LYS  12           2HZ      LYS  12  -5.844 -15.052  -6.767
   69    H    LEU  13           H        LEU  13  -5.016  -9.602  -2.930
   70    HA   LEU  13           HA       LEU  13  -7.896  -9.289  -3.175
   71    HB2  LEU  13           2HB      LEU  13  -6.142 -10.484  -1.031
   72    HB3  LEU  13           1HB      LEU  13  -7.885 -10.360  -0.882
   73    HG   LEU  13           HG       LEU  13  -6.783 -11.747  -3.283
   74   HD11  LEU  13          1HD1      LEU  13  -6.925 -12.983  -0.536
   75   HD12  LEU  13          2HD1      LEU  13  -5.458 -12.676  -1.466
   76   HD13  LEU  13          3HD1      LEU  13  -6.639 -13.853  -2.043
   77   HD21  LEU  13          3HD2      LEU  13  -9.170 -12.230  -1.500
   78   HD22  LEU  13          1HD2      LEU  13  -8.789 -13.115  -2.977
   79   HD23  LEU  13          2HD2      LEU  13  -9.189 -11.399  -3.055
   80    H    ARG  14           H        ARG  14  -5.343  -7.396  -2.103
   81    HA   ARG  14           HA       ARG  14  -6.869  -5.986  -0.046
   82    HB2  ARG  14           2HB      ARG  14  -3.999  -5.855  -0.964
   83    HB3  ARG  14           1HB      ARG  14  -4.679  -4.652   0.123
   84    HG2  ARG  14           2HG      ARG  14  -4.525  -6.016   1.890
   85    HG3  ARG  14           1HG      ARG  14  -5.207  -7.377   1.000
   86    HD2  ARG  14           2HD      ARG  14  -2.368  -6.453   0.629
   87    HD3  ARG  14           1HD      ARG  14  -2.828  -7.642   1.846
   88    HE   ARG  14           HE       ARG  14  -3.710  -8.273  -0.827
   89   HH11  ARG  14          1HH1      ARG  14  -1.093  -8.646   1.486
   90   HH12  ARG  14          2HH1      ARG  14  -0.456 -10.057   0.709
   91   HH21  ARG  14          2HH2      ARG  14  -2.862 -10.122  -1.823
   92   HH22  ARG  14          1HH2      ARG  14  -1.458 -10.891  -1.162
   93    H    LEU  15           H        LEU  15  -6.784  -3.543  -0.109
   94    HA   LEU  15           HA       LEU  15  -7.842  -2.638  -2.628
   95    HB2  LEU  15           2HB      LEU  15  -8.340  -0.552  -1.443
   96    HB3  LEU  15           1HB      LEU  15  -8.921  -1.951  -0.569
   97    HG   LEU  15           HG       LEU  15  -6.539  -1.606   0.665
   98   HD11  LEU  15          1HD1      LEU  15  -7.456   1.159  -0.112
   99   HD12  LEU  15          2HD1      LEU  15  -5.968   0.371  -0.638
  100   HD13  LEU  15          3HD1      LEU  15  -6.195   0.778   1.062
  101   HD21  LEU  15          3HD2      LEU  15  -8.582  -1.837   1.867
  102   HD22  LEU  15          1HD2      LEU  15  -9.180  -0.290   1.266
  103   HD23  LEU  15          2HD2      LEU  15  -7.827  -0.331   2.398
  104    H    TYR  16           H        TYR  16  -7.172  -0.406  -3.468
  105    HA   TYR  16           HA       TYR  16  -4.300  -0.454  -3.949
  106    HB2  TYR  16           2HB      TYR  16  -6.195  -0.178  -5.729
  107    HB3  TYR  16           1HB      TYR  16  -6.195   1.504  -5.214
  108    HD1  TYR  16           1HD      TYR  16  -4.309  -1.114  -6.946
  109    HD2  TYR  16           2HD      TYR  16  -4.305   2.956  -5.707
  110    HE1  TYR  16           1HE      TYR  16  -2.428  -0.660  -8.463
  111    HE2  TYR  16           2HE      TYR  16  -2.424   3.421  -7.221
  112    HH   TYR  16           HH       TYR  16  -1.427   1.256  -9.634
  113    H    CYS  17           H        CYS  17  -2.911   1.256  -3.572
  114    HA   CYS  17           HA       CYS  17  -3.778   3.135  -1.499
  115    HB2  CYS  17           2HB      CYS  17  -1.042   2.205  -2.373
  116    HB3  CYS  17           1HB      CYS  17  -1.294   3.496  -1.203
  117    H    CYS  18           H        CYS  18  -3.660   5.313  -1.701
  118    HA   CYS  18           HA       CYS  18  -3.670   6.440  -4.322
  119    HB2  CYS  18           2HB      CYS  18  -4.007   7.502  -1.550
  120    HB3  CYS  18           1HB      CYS  18  -3.729   8.635  -2.868
  121    H    SER  19           H        SER  19  -1.072   5.572  -2.460
  122    HA   SER  19           HA       SER  19   0.641   7.843  -3.018
  123    HB2  SER  19           2HB      SER  19   1.269   5.130  -1.828
  124    HB3  SER  19           1HB      SER  19   2.400   6.478  -1.930
  125    HG   SER  19           HG       SER  19   0.019   7.168  -0.785
  126    H    GLY  20           H        GLY  20  -0.051   4.712  -4.404
  127    HA2  GLY  20           2HA      GLY  20   0.400   3.986  -6.563
  128    HA3  GLY  20           1HA      GLY  20   1.425   5.390  -6.796
  129    H    PHE  21           H        PHE  21   2.141   3.555  -3.974
  130    HA   PHE  21           HA       PHE  21   4.199   2.014  -5.390
  131    HB2  PHE  21           2HB      PHE  21   5.302   4.049  -4.586
  132    HB3  PHE  21           1HB      PHE  21   4.712   3.753  -2.958
  133    HD1  PHE  21           2HD      PHE  21   5.585   1.777  -1.687
  134    HD2  PHE  21           1HD      PHE  21   7.305   3.052  -5.366
  135    HE1  PHE  21           2HE      PHE  21   7.616   0.492  -1.178
  136    HE2  PHE  21           1HE      PHE  21   9.345   1.771  -4.851
  137    HZ   PHE  21           HZ       PHE  21   9.489   0.493  -2.744
  138    H    CYS  22           H        CYS  22   3.830  -0.016  -4.986
  139    HA   CYS  22           HA       CYS  22   3.050  -0.853  -2.274
  140    HB2  CYS  22           2HB      CYS  22   2.358  -2.031  -4.965
  141    HB3  CYS  22           1HB      CYS  22   2.177  -2.941  -3.470
  142    H    ASP  23           H        ASP  23   4.806  -1.556  -1.239
  143    HA   ASP  23           HA       ASP  23   7.088  -2.665  -2.586
  144    HB2  ASP  23           2HB      ASP  23   6.569  -1.538  -0.043
  145    HB3  ASP  23           1HB      ASP  23   7.149  -3.174   0.245
  146    H    SER  24           H        SER  24   7.346  -4.685  -3.197
  147    HA   SER  24           HA       SER  24   5.520  -6.764  -2.333
  148    HB2  SER  24           2HB      SER  24   7.766  -6.815  -4.360
  149    HB3  SER  24           1HB      SER  24   6.614  -8.122  -4.088
  150    HG   SER  24           HG       SER  24   5.598  -5.574  -4.604
  151    H    TYR  25           H        TYR  25   8.465  -5.627  -1.218
  152    HA   TYR  25           HA       TYR  25   9.699  -8.122  -0.493
  153    HB2  TYR  25           2HB      TYR  25  10.766  -5.745  -0.849
  154    HB3  TYR  25           1HB      TYR  25  10.363  -5.526   0.848
  155    HD1  TYR  25           2HD      TYR  25  11.510  -6.805   2.576
  156    HD2  TYR  25           1HD      TYR  25  12.490  -7.315  -1.533
  157    HE1  TYR  25           2HE      TYR  25  13.576  -7.973   3.219
  158    HE2  TYR  25           1HE      TYR  25  14.559  -8.486  -0.901
  159    HH   TYR  25           HH       TYR  25  16.079  -8.627   1.023
  160    H    THR  26           H        THR  26   7.338  -6.027   0.899
  161    HA   THR  26           HA       THR  26   7.129  -7.772   3.246
  162    HB   THR  26           HB       THR  26   6.606  -5.724   4.650
  163    HG1  THR  26           1HG      THR  26   7.639  -3.769   3.806
  164   HG21  THR  26          3HG2      THR  26   8.717  -6.937   4.886
  165   HG22  THR  26          1HG2      THR  26   8.965  -5.203   5.091
  166   HG23  THR  26          2HG2      THR  26   9.420  -5.986   3.578
  167    H    LYS  27           H        LYS  27   5.664  -6.551   0.599
  168    HA   LYS  27           HA       LYS  27   3.550  -6.305  -0.183
  169    HB2  LYS  27           2HB      LYS  27   2.998  -8.117   2.169
  170    HB3  LYS  27           1HB      LYS  27   1.735  -7.621   1.052
  171    HG2  LYS  27           2HG      LYS  27   2.983  -8.634  -0.798
  172    HG3  LYS  27           1HG      LYS  27   4.233  -9.147   0.337
  173    HD2  LYS  27           2HD      LYS  27   2.585 -10.507   1.534
  174    HD3  LYS  27           1HD      LYS  27   1.333  -9.986   0.404
  175    HE2  LYS  27           2HE      LYS  27   2.579 -11.018  -1.438
  176    HE3  LYS  27           1HE      LYS  27   3.819 -11.544  -0.301
  177    HZ1  LYS  27           3HZ      LYS  27   0.969 -12.382  -0.254
  178    HZ2  LYS  27           1HZ      LYS  27   2.166 -12.897   0.825
  179    HZ3  LYS  27           2HZ      LYS  27   2.261 -13.321  -0.810
  180    H    THR  28           H        THR  28   4.382  -4.095   1.053
  181    HA   THR  28           HA       THR  28   1.925  -3.028   2.259
  182    HB   THR  28           HB       THR  28   3.367  -1.654   3.841
  183    HG1  THR  28           1HG      THR  28   5.327  -3.378   4.186
  184   HG21  THR  28          3HG2      THR  28   3.487  -3.434   5.529
  185   HG22  THR  28          1HG2      THR  28   3.252  -4.643   4.267
  186   HG23  THR  28          2HG2      THR  28   1.968  -3.491   4.635
  187    H    CYS  29           H        CYS  29   1.659  -0.778   2.097
  188    HA   CYS  29           HA       CYS  29   2.802   0.339  -0.311
  189    HB2  CYS  29           2HB      CYS  29   0.656   1.280   1.587
  190    HB3  CYS  29           1HB      CYS  29   1.181   2.212   0.194
  191    H    LYS  30           H        LYS  30   4.268   1.933  -0.469
  192    HA   LYS  30           HA       LYS  30   5.044   3.427   1.946
  193    HB2  LYS  30           2HB      LYS  30   6.960   1.956   0.130
  194    HB3  LYS  30           1HB      LYS  30   7.463   3.130   1.325
  195    HG2  LYS  30           2HG      LYS  30   6.340   1.651   3.050
  196    HG3  LYS  30           1HG      LYS  30   6.224   0.434   1.775
  197    HD2  LYS  30           2HD      LYS  30   8.650   0.492   1.491
  198    HD3  LYS  30           1HD      LYS  30   8.773   1.719   2.755
  199    HE2  LYS  30           2HE      LYS  30   7.834   0.138   4.372
  200    HE3  LYS  30           1HE      LYS  30   7.717  -1.085   3.108
  201    HZ1  LYS  30           3HZ      LYS  30   9.690  -1.399   4.463
  202    HZ2  LYS  30           1HZ      LYS  30  10.233   0.157   4.083
  203    HZ3  LYS  30           2HZ      LYS  30  10.121  -1.018   2.873
  204    H    ASP  31           H        ASP  31   6.643   5.233   1.351
  205    HA   ASP  31           HA       ASP  31   5.562   6.687  -0.927
  206    HB2  ASP  31           2HB      ASP  31   7.381   7.487   1.350
  207    HB3  ASP  31           1HB      ASP  31   6.987   8.569   0.018
  208    H    LYS  32           H        LYS  32   6.911   7.715  -2.514
  209    HA   LYS  32           HA       LYS  32   9.190   6.060  -3.273
  210    HB2  LYS  32           2HB      LYS  32   7.593   8.169  -4.724
  211    HB3  LYS  32           1HB      LYS  32   9.073   7.496  -5.389
  212    HG2  LYS  32           2HG      LYS  32   8.065   5.253  -5.304
  213    HG3  LYS  32           1HG      LYS  32   6.568   5.972  -4.707
  214    HD2  LYS  32           2HD      LYS  32   6.379   7.290  -6.755
  215    HD3  LYS  32           1HD      LYS  32   7.887   6.592  -7.350
  216    HE2  LYS  32           2HE      LYS  32   6.868   4.368  -7.315
  217    HE3  LYS  32           1HE      LYS  32   5.362   5.067  -6.722
  218    HZ1  LYS  32           3HZ      LYS  32   6.639   5.668  -9.336
  219    HZ2  LYS  32           1HZ      LYS  32   5.197   6.347  -8.767
  220    HZ3  LYS  32           2HZ      LYS  32   5.279   4.690  -9.102
  221    H    SER  33           H        SER  33  11.241   6.872  -3.773
  222    HA   SER  33           HA       SER  33  11.859   9.565  -2.754
  223    HB2  SER  33           2HB      SER  33  12.531   7.754  -1.147
  224    HB3  SER  33           1HB      SER  33  13.619   7.129  -2.385
  225    HG   SER  33           HG       SER  33  15.000   8.566  -1.759
  226    H    SER  34           H        SER  34  12.995  10.808  -4.090
  227    HA   SER  34           HA       SER  34  14.167   9.578  -6.495
  228    HB2  SER  34           2HB      SER  34  13.195  12.413  -6.055
  229    HB3  SER  34           1HB      SER  34  13.899  11.798  -7.551
  230    HG   SER  34           HG       SER  34  11.408  11.245  -6.389
  231    H    ALA  35           H        ALA  35  16.212  10.167  -7.191
  232    HA   ALA  35           HA       ALA  35  17.938  11.316  -5.117
  233    HB1  ALA  35           1HB      ALA  35  18.685   9.688  -7.545
  234    HB2  ALA  35           2HB      ALA  35  18.512   9.070  -5.902
  235    HB3  ALA  35           3HB      ALA  35  19.785  10.230  -6.277
  Start of MODEL    9
    1    H1   GLY   1           1HT      GLY   1 -12.843   5.419  -4.527
    2    H2   GLY   1           2HT      GLY   1 -13.389   4.005  -5.279
    3    H3   GLY   1           3HT      GLY   1 -11.812   4.085  -4.675
    4    HA2  GLY   1           1HA      GLY   1 -14.299   4.170  -3.056
    5    HA3  GLY   1           2HA      GLY   1 -13.228   2.786  -3.208
    6    H    TRP   2           H        TRP   2 -11.986   2.505  -1.503
    7    HA   TRP   2           HA       TRP   2 -11.306   4.781   0.207
    8    HB2  TRP   2           2HB      TRP   2 -11.135   1.796   0.648
    9    HB3  TRP   2           1HB      TRP   2 -10.525   2.980   1.798
   10    HD1  TRP   2           HD       TRP   2 -13.756   1.462   0.489
   11    HE1  TRP   2           1HE      TRP   2 -15.706   2.191   2.001
   12    HE3  TRP   2           3HE      TRP   2 -11.320   4.934   3.362
   13    HZ2  TRP   2           2HZ      TRP   2 -16.156   3.992   4.122
   14    HZ3  TRP   2           3HZ      TRP   2 -12.589   6.111   5.109
   15    HH2  TRP   2           HH       TRP   2 -14.957   5.649   5.480
   16    H    CYS   3           H        CYS   3  -9.201   5.273   0.822
   17    HA   CYS   3           HA       CYS   3  -7.136   4.372  -1.056
   18    HB2  CYS   3           2HB      CYS   3  -7.761   6.872  -0.565
   19    HB3  CYS   3           1HB      CYS   3  -6.760   6.643   0.863
   20    H    GLY   4           H        GLY   4  -5.123   3.632  -0.360
   21    HA2  GLY   4           2HA      GLY   4  -5.147   2.454   2.327
   22    HA3  GLY   4           1HA      GLY   4  -4.120   1.957   0.992
   23    H    ASP   5           H        ASP   5  -3.993   3.224   3.930
   24    HA   ASP   5           HA       ASP   5  -2.023   5.314   3.451
   25    HB2  ASP   5           2HB      ASP   5  -3.337   4.244   5.952
   26    HB3  ASP   5           1HB      ASP   5  -2.040   5.432   6.000
   27    HA   HYP   6           HA       HYP   6   1.665   2.848   4.021
   28    HB2  HYP   6           2HB      HYP   6   2.645   4.676   6.142
   29    HB3  HYP   6           1HB      HYP   6   3.384   4.260   4.582
   30    HG   HYP   6           2HG      HYP   6   2.314   6.665   4.968
   31   HD22  HYP   6          1HD       HYP   6  -0.052   6.184   3.762
   32   HD23  HYP   6          2HD       HYP   6   0.114   6.151   5.530
   33    HD1  HYP   6           1HG      HYP   6   2.441   6.739   2.827
   34    H    GLY   7           H        GLY   7   2.076   1.037   5.099
   35    HA2  GLY   7           2HA      GLY   7   2.644  -0.062   7.205
   36    HA3  GLY   7           1HA      GLY   7   1.376   0.885   7.966
   37    H    ALA   8           H        ALA   8   0.101   0.062   5.081
   38    HA   ALA   8           HA       ALA   8  -1.342  -2.217   6.218
   39    HB1  ALA   8           1HB      ALA   8  -2.667  -0.332   5.390
   40    HB2  ALA   8           2HB      ALA   8  -2.998  -1.804   4.477
   41    HB3  ALA   8           3HB      ALA   8  -1.972  -0.549   3.784
   42    H    THR   9           H        THR   9  -1.709  -4.131   5.025
   43    HA   THR   9           HA       THR   9   0.547  -4.931   3.377
   44    HB   THR   9           HB       THR   9  -1.716  -6.800   3.955
   45    HG1  THR   9           1HG      THR   9  -0.809  -5.391   5.896
   46   HG21  THR   9          3HG2      THR   9   0.122  -8.403   4.260
   47   HG22  THR   9          1HG2      THR   9   1.292  -7.106   4.016
   48   HG23  THR   9          2HG2      THR   9   0.229  -7.594   2.697
   49    H    CYS  10           H        CYS  10   0.524  -4.955   1.226
   50    HA   CYS  10           HA       CYS  10  -2.071  -5.069  -0.164
   51    HB2  CYS  10           2HB      CYS  10  -1.167  -3.619  -1.909
   52    HB3  CYS  10           1HB      CYS  10  -1.085  -2.825  -0.342
   53    H    GLY  11           H        GLY  11  -2.336  -6.760  -1.412
   54    HA2  GLY  11           2HA      GLY  11  -0.159  -7.860  -2.989
   55    HA3  GLY  11           1HA      GLY  11  -0.788  -8.929  -1.743
   56    H    LYS  12           H        LYS  12  -3.457  -8.464  -1.808
   57    HA   LYS  12           HA       LYS  12  -4.218  -9.589  -4.397
   58    HB2  LYS  12           2HB      LYS  12  -5.569  -9.495  -1.702
   59    HB3  LYS  12           1HB      LYS  12  -6.427  -9.999  -3.151
   60    HG2  LYS  12           2HG      LYS  12  -4.798 -11.804  -3.475
   61    HG3  LYS  12           1HG      LYS  12  -3.970 -11.307  -1.998
   62    HD2  LYS  12           2HD      LYS  12  -5.990 -11.767  -0.703
   63    HD3  LYS  12           1HD      LYS  12  -6.836 -12.237  -2.177
   64    HE2  LYS  12           2HE      LYS  12  -6.167 -14.254  -1.159
   65    HE3  LYS  12           1HE      LYS  12  -5.038 -13.994  -2.486
   66    HZ1  LYS  12           3HZ      LYS  12  -4.516 -13.375   0.372
   67    HZ2  LYS  12           1HZ      LYS  12  -3.430 -13.131  -0.903
   68    HZ3  LYS  12           2HZ      LYS  12  -3.897 -14.700  -0.479
   69    H    LEU  13           H        LEU  13  -6.393  -8.905  -5.291
   70    HA   LEU  13           HA       LEU  13  -6.421  -6.030  -5.555
   71    HB2  LEU  13           2HB      LEU  13  -8.057  -8.201  -6.866
   72    HB3  LEU  13           1HB      LEU  13  -8.268  -6.496  -7.211
   73    HG   LEU  13           HG       LEU  13  -5.674  -6.635  -7.747
   74   HD11  LEU  13          1HD1      LEU  13  -6.632  -9.446  -8.280
   75   HD12  LEU  13          2HD1      LEU  13  -5.419  -8.969  -7.092
   76   HD13  LEU  13          3HD1      LEU  13  -5.098  -8.759  -8.813
   77   HD21  LEU  13          3HD2      LEU  13  -6.261  -7.022 -10.097
   78   HD22  LEU  13          1HD2      LEU  13  -7.390  -5.920  -9.306
   79   HD23  LEU  13          2HD2      LEU  13  -7.851  -7.598  -9.596
   80    H    ARG  14           H        ARG  14  -7.095  -5.249  -3.589
   81    HA   ARG  14           HA       ARG  14  -9.975  -5.367  -3.110
   82    HB2  ARG  14           2HB      ARG  14  -7.872  -6.015  -1.043
   83    HB3  ARG  14           1HB      ARG  14  -9.485  -5.480  -0.598
   84    HG2  ARG  14           2HG      ARG  14 -10.445  -7.405  -1.768
   85    HG3  ARG  14           1HG      ARG  14  -8.820  -7.945  -2.199
   86    HD2  ARG  14           2HD      ARG  14  -8.263  -8.163   0.172
   87    HD3  ARG  14           1HD      ARG  14  -9.883  -7.616   0.605
   88    HE   ARG  14           HE       ARG  14 -10.087  -9.841  -1.100
   89   HH11  ARG  14          2HH1      ARG  14  -9.111  -9.099   2.191
   90   HH12  ARG  14          1HH1      ARG  14  -9.515 -10.674   2.788
   91   HH21  ARG  14          2HH2      ARG  14 -10.610 -11.895  -0.296
   92   HH22  ARG  14          1HH2      ARG  14 -10.362 -12.255   1.380
   93    H    LEU  15           H        LEU  15  -6.873  -3.905  -2.165
   94    HA   LEU  15           HA       LEU  15  -8.184  -1.272  -2.124
   95    HB2  LEU  15           2HB      LEU  15  -7.303  -2.549   0.150
   96    HB3  LEU  15           1HB      LEU  15  -5.926  -1.553  -0.272
   97    HG   LEU  15           HG       LEU  15  -8.693  -0.387  -0.027
   98   HD11  LEU  15          1HD1      LEU  15  -6.631  -0.620   2.159
   99   HD12  LEU  15          2HD1      LEU  15  -8.137  -1.535   2.074
  100   HD13  LEU  15          3HD1      LEU  15  -8.180   0.218   2.259
  101   HD21  LEU  15          3HD2      LEU  15  -5.907   0.763   0.087
  102   HD22  LEU  15          1HD2      LEU  15  -7.366   1.665   0.496
  103   HD23  LEU  15          2HD2      LEU  15  -7.138   1.055  -1.142
  104    H    TYR  16           H        TYR  16  -6.889   0.476  -2.761
  105    HA   TYR  16           HA       TYR  16  -4.474  -0.288  -4.262
  106    HB2  TYR  16           2HB      TYR  16  -6.599   0.757  -5.378
  107    HB3  TYR  16           1HB      TYR  16  -5.982   2.269  -4.722
  108    HD1  TYR  16           2HD      TYR  16  -5.363  -0.440  -7.130
  109    HD2  TYR  16           1HD      TYR  16  -4.016   3.315  -5.651
  110    HE1  TYR  16           2HE      TYR  16  -3.880  -0.212  -9.078
  111    HE2  TYR  16           1HE      TYR  16  -2.530   3.555  -7.595
  112    HH   TYR  16           HH       TYR  16  -1.420   2.115  -9.253
  113    H    CYS  17           H        CYS  17  -2.746   1.307  -4.402
  114    HA   CYS  17           HA       CYS  17  -2.074   2.411  -1.824
  115    HB2  CYS  17           2HB      CYS  17  -0.655   1.468  -4.083
  116    HB3  CYS  17           1HB      CYS  17  -0.210   3.155  -3.878
  117    H    CYS  18           H        CYS  18  -1.923   4.520  -1.232
  118    HA   CYS  18           HA       CYS  18  -3.468   6.467  -2.594
  119    HB2  CYS  18           2HB      CYS  18  -1.609   6.596  -0.232
  120    HB3  CYS  18           1HB      CYS  18  -2.405   8.035  -0.861
  121    H    SER  19           H        SER  19   0.005   5.873  -2.428
  122    HA   SER  19           HA       SER  19   0.569   8.218  -4.088
  123    HB2  SER  19           2HB      SER  19   1.965   7.720  -2.057
  124    HB3  SER  19           1HB      SER  19   2.536   6.266  -2.872
  125    HG   SER  19           HG       SER  19   2.949   8.080  -4.620
  126    H    GLY  20           H        GLY  20   0.430   4.741  -4.231
  127    HA2  GLY  20           2HA      GLY  20   0.095   3.561  -6.265
  128    HA3  GLY  20           1HA      GLY  20   0.926   4.850  -7.121
  129    H    PHE  21           H        PHE  21   2.148   3.334  -4.188
  130    HA   PHE  21           HA       PHE  21   4.072   1.753  -5.715
  131    HB2  PHE  21           2HB      PHE  21   5.370   3.709  -5.446
  132    HB3  PHE  21           1HB      PHE  21   4.781   3.987  -3.816
  133    HD1  PHE  21           1HD      PHE  21   6.787   1.494  -5.766
  134    HD2  PHE  21           2HD      PHE  21   6.155   3.469  -2.044
  135    HE1  PHE  21           1HE      PHE  21   8.788   0.396  -4.843
  136    HE2  PHE  21           2HE      PHE  21   8.158   2.376  -1.125
  137    HZ   PHE  21           HZ       PHE  21   9.471   0.842  -2.520
  138    H    CYS  22           H        CYS  22   4.066  -0.224  -4.961
  139    HA   CYS  22           HA       CYS  22   3.522  -0.688  -2.103
  140    HB2  CYS  22           2HB      CYS  22   2.546  -2.030  -4.544
  141    HB3  CYS  22           1HB      CYS  22   3.055  -3.114  -3.254
  142    H    ASP  23           H        ASP  23   5.128  -1.517  -0.947
  143    HA   ASP  23           HA       ASP  23   7.593  -2.313  -2.225
  144    HB2  ASP  23           2HB      ASP  23   6.859  -1.245   0.297
  145    HB3  ASP  23           1HB      ASP  23   7.627  -2.801   0.602
  146    H    SER  24           H        SER  24   8.159  -4.298  -2.736
  147    HA   SER  24           HA       SER  24   6.496  -6.554  -2.001
  148    HB2  SER  24           2HB      SER  24   7.322  -6.184  -4.335
  149    HB3  SER  24           1HB      SER  24   8.954  -6.521  -3.762
  150    HG   SER  24           HG       SER  24   8.202  -8.597  -3.126
  151    H    TYR  25           H        TYR  25   9.193  -5.090  -0.658
  152    HA   TYR  25           HA       TYR  25  10.636  -7.413   0.219
  153    HB2  TYR  25           2HB      TYR  25  11.427  -4.918  -0.043
  154    HB3  TYR  25           1HB      TYR  25  10.832  -4.764   1.604
  155    HD1  TYR  25           1HD      TYR  25  13.388  -6.267  -0.544
  156    HD2  TYR  25           2HD      TYR  25  11.956  -5.888   3.445
  157    HE1  TYR  25           1HE      TYR  25  15.512  -7.175   0.299
  158    HE2  TYR  25           2HE      TYR  25  14.077  -6.794   4.299
  159    HH   TYR  25           HH       TYR  25  16.844  -7.129   2.366
  160    H    THR  26           H        THR  26   7.891  -5.665   1.331
  161    HA   THR  26           HA       THR  26   7.668  -7.423   3.666
  162    HB   THR  26           HB       THR  26   6.726  -5.467   4.980
  163    HG1  THR  26           1HG      THR  26   7.094  -3.432   4.247
  164   HG21  THR  26          3HG2      THR  26   8.943  -6.380   5.460
  165   HG22  THR  26          1HG2      THR  26   8.932  -4.628   5.662
  166   HG23  THR  26          2HG2      THR  26   9.649  -5.345   4.218
  167    H    LYS  27           H        LYS  27   6.345  -6.309   0.869
  168    HA   LYS  27           HA       LYS  27   4.315  -6.323  -0.137
  169    HB2  LYS  27           2HB      LYS  27   3.763  -8.299   2.081
  170    HB3  LYS  27           1HB      LYS  27   2.590  -7.940   0.821
  171    HG2  LYS  27           2HG      LYS  27   4.170  -8.704  -0.876
  172    HG3  LYS  27           1HG      LYS  27   5.357  -9.051   0.383
  173    HD2  LYS  27           2HD      LYS  27   3.823 -10.684   1.373
  174    HD3  LYS  27           1HD      LYS  27   2.641 -10.338   0.110
  175    HE2  LYS  27           2HE      LYS  27   4.227 -11.113  -1.584
  176    HE3  LYS  27           1HE      LYS  27   5.410 -11.455  -0.323
  177    HZ1  LYS  27           3HZ      LYS  27   2.753 -12.754  -0.597
  178    HZ2  LYS  27           1HZ      LYS  27   3.890 -13.084   0.611
  179    HZ3  LYS  27           2HZ      LYS  27   4.238 -13.452  -1.004
  180    H    THR  28           H        THR  28   4.629  -4.061   1.127
  181    HA   THR  28           HA       THR  28   1.982  -3.475   2.277
  182    HB   THR  28           HB       THR  28   3.132  -1.783   3.794
  183    HG1  THR  28           1HG      THR  28   5.220  -2.141   2.609
  184   HG21  THR  28          3HG2      THR  28   3.612  -4.725   4.291
  185   HG22  THR  28          1HG2      THR  28   2.147  -3.824   4.683
  186   HG23  THR  28          2HG2      THR  28   3.655  -3.462   5.522
  187    H    CYS  29           H        CYS  29   1.386  -1.194   2.207
  188    HA   CYS  29           HA       CYS  29   2.130  -0.001  -0.326
  189    HB2  CYS  29           2HB      CYS  29  -0.140   0.086   1.455
  190    HB3  CYS  29           1HB      CYS  29   0.374   1.718   1.047
  191    H    LYS  30           H        LYS  30   3.643   1.488  -0.575
  192    HA   LYS  30           HA       LYS  30   4.340   3.252   1.680
  193    HB2  LYS  30           2HB      LYS  30   6.221   1.756  -0.147
  194    HB3  LYS  30           1HB      LYS  30   6.736   3.117   0.839
  195    HG2  LYS  30           2HG      LYS  30   5.813   1.766   2.820
  196    HG3  LYS  30           1HG      LYS  30   5.828   0.398   1.706
  197    HD2  LYS  30           2HD      LYS  30   8.216   0.738   1.312
  198    HD3  LYS  30           1HD      LYS  30   8.205   2.117   2.413
  199    HE2  LYS  30           2HE      LYS  30   7.534   0.642   4.248
  200    HE3  LYS  30           1HE      LYS  30   7.548  -0.734   3.146
  201    HZ1  LYS  30           3HZ      LYS  30   9.897   0.936   3.867
  202    HZ2  LYS  30           1HZ      LYS  30   9.916  -0.372   2.793
  203    HZ3  LYS  30           2HZ      LYS  30   9.583  -0.628   4.431
  204    H    ASP  31           H        ASP  31   5.601   5.202   0.966
  205    HA   ASP  31           HA       ASP  31   4.334   6.371  -1.378
  206    HB2  ASP  31           2HB      ASP  31   6.038   7.539   0.826
  207    HB3  ASP  31           1HB      ASP  31   5.481   8.479  -0.555
  208    H    LYS  32           H        LYS  32   5.402   7.203  -3.154
  209    HA   LYS  32           HA       LYS  32   8.067   6.092  -3.637
  210    HB2  LYS  32           2HB      LYS  32   5.902   5.959  -5.192
  211    HB3  LYS  32           1HB      LYS  32   6.537   7.488  -5.780
  212    HG2  LYS  32           2HG      LYS  32   8.651   6.406  -6.342
  213    HG3  LYS  32           1HG      LYS  32   8.031   4.870  -5.731
  214    HD2  LYS  32           2HD      LYS  32   6.257   4.921  -7.423
  215    HD3  LYS  32           1HD      LYS  32   6.888   6.451  -8.035
  216    HE2  LYS  32           2HE      LYS  32   9.001   5.353  -8.597
  217    HE3  LYS  32           1HE      LYS  32   8.373   3.826  -7.980
  218    HZ1  LYS  32           3HZ      LYS  32   6.661   3.882  -9.682
  219    HZ2  LYS  32           1HZ      LYS  32   8.198   3.951 -10.385
  220    HZ3  LYS  32           2HZ      LYS  32   7.257   5.351 -10.272
  221    H    SER  33           H        SER  33   6.318   9.182  -3.787
  222    HA   SER  33           HA       SER  33   8.913  10.582  -3.840
  223    HB2  SER  33           2HB      SER  33   6.293  11.480  -5.066
  224    HB3  SER  33           1HB      SER  33   7.782  12.424  -5.039
  225    HG   SER  33           HG       SER  33   7.795   9.832  -6.121
  226    H    SER  34           H        SER  34   9.208  12.295  -2.472
  227    HA   SER  34           HA       SER  34   7.032  12.908  -0.584
  228    HB2  SER  34           2HB      SER  34   9.957  12.520   0.100
  229    HB3  SER  34           1HB      SER  34   8.710  13.051   1.228
  230    HG   SER  34           HG       SER  34   9.366  10.566   0.536
  231    H    ALA  35           H        ALA  35  10.066  14.013  -2.052
  232    HA   ALA  35           HA       ALA  35   9.430  16.783  -1.330
  233    HB1  ALA  35           1HB      ALA  35  11.678  15.983  -0.778
  234    HB2  ALA  35           2HB      ALA  35  11.729  17.302  -1.947
  235    HB3  ALA  35           3HB      ALA  35  11.973  15.639  -2.482
  Start of MODEL   10
    1    H1   GLY   1           1HT      GLY   1 -12.128   3.230  -4.408
    2    H2   GLY   1           2HT      GLY   1 -13.423   2.164  -4.619
    3    H3   GLY   1           3HT      GLY   1 -12.248   1.846  -3.443
    4    HA2  GLY   1           1HA      GLY   1 -14.148   4.128  -3.429
    5    HA3  GLY   1           2HA      GLY   1 -14.272   2.690  -2.426
    6    H    TRP   2           H        TRP   2 -12.005   2.235  -1.299
    7    HA   TRP   2           HA       TRP   2 -11.422   4.654   0.245
    8    HB2  TRP   2           2HB      TRP   2 -10.806   1.739   0.794
    9    HB3  TRP   2           1HB      TRP   2 -10.333   3.067   1.846
   10    HD1  TRP   2           HD       TRP   2 -12.236   4.228   3.305
   11    HE1  TRP   2           1HE      TRP   2 -14.607   3.484   3.967
   12    HE3  TRP   2           3HE      TRP   2 -12.885   0.436  -0.079
   13    HZ2  TRP   2           2HZ      TRP   2 -16.501   1.554   3.168
   14    HZ3  TRP   2           3HZ      TRP   2 -15.008  -0.806  -0.057
   15    HH2  TRP   2           HH       TRP   2 -16.777  -0.258   1.532
   16    H    CYS   3           H        CYS   3  -9.286   5.302   0.730
   17    HA   CYS   3           HA       CYS   3  -7.329   4.543  -1.324
   18    HB2  CYS   3           2HB      CYS   3  -8.126   7.021  -0.727
   19    HB3  CYS   3           1HB      CYS   3  -6.855   6.867   0.481
   20    H    GLY   4           H        GLY   4  -5.513   3.494  -0.802
   21    HA2  GLY   4           2HA      GLY   4  -5.188   2.509   1.888
   22    HA3  GLY   4           1HA      GLY   4  -4.207   2.088   0.496
   23    H    ASP   5           H        ASP   5  -4.119   3.452   3.440
   24    HA   ASP   5           HA       ASP   5  -2.163   5.544   2.869
   25    HB2  ASP   5           2HB      ASP   5  -3.630   4.669   5.352
   26    HB3  ASP   5           1HB      ASP   5  -2.280   5.793   5.433
   27    HA   HYP   6           HA       HYP   6   1.543   3.190   3.682
   28    HB2  HYP   6           2HB      HYP   6   2.825   4.836   5.550
   29    HB3  HYP   6           1HB      HYP   6   2.937   4.997   3.787
   30    HG   HYP   6           2HG      HYP   6   1.250   6.518   5.719
   31   HD22  HYP   6          1HD       HYP   6   0.414   6.239   2.843
   32   HD23  HYP   6          2HD       HYP   6  -0.572   6.626   4.268
   33    HD1  HYP   6           1HG      HYP   6   2.971   7.534   4.549
   34    H    GLY   7           H        GLY   7   1.921   1.467   4.897
   35    HA2  GLY   7           2HA      GLY   7   2.442   0.495   7.063
   36    HA3  GLY   7           1HA      GLY   7   1.202   1.525   7.761
   37    H    ALA   8           H        ALA   8   0.071   0.394   4.852
   38    HA   ALA   8           HA       ALA   8  -1.553  -1.658   6.170
   39    HB1  ALA   8           1HB      ALA   8  -3.073  -1.415   4.277
   40    HB2  ALA   8           2HB      ALA   8  -1.952  -0.290   3.509
   41    HB3  ALA   8           3HB      ALA   8  -2.743   0.148   5.024
   42    H    THR   9           H        THR   9  -1.939  -3.693   5.164
   43    HA   THR   9           HA       THR   9   0.406  -4.789   3.862
   44    HB   THR   9           HB       THR   9  -2.044  -6.450   4.295
   45    HG1  THR   9           1HG      THR   9  -0.379  -6.142   6.507
   46   HG21  THR   9          3HG2      THR   9  -0.381  -8.122   4.983
   47   HG22  THR   9          1HG2      THR   9   0.901  -6.925   4.794
   48   HG23  THR   9          2HG2      THR   9  -0.010  -7.470   3.386
   49    H    CYS  10           H        CYS  10   0.651  -4.791   1.740
   50    HA   CYS  10           HA       CYS  10  -1.717  -4.723  -0.001
   51    HB2  CYS  10           2HB      CYS  10  -0.095  -2.858  -0.236
   52    HB3  CYS  10           1HB      CYS  10   1.153  -4.021  -0.666
   53    H    GLY  11           H        GLY  11  -2.270  -6.499  -1.040
   54    HA2  GLY  11           2HA      GLY  11  -0.284  -8.656  -1.348
   55    HA3  GLY  11           1HA      GLY  11  -2.024  -8.887  -1.280
   56    H    LYS  12           H        LYS  12  -3.209  -8.813  -3.119
   57    HA   LYS  12           HA       LYS  12  -1.801  -8.128  -5.613
   58    HB2  LYS  12           2HB      LYS  12  -2.310 -10.661  -5.016
   59    HB3  LYS  12           1HB      LYS  12  -3.909 -10.249  -5.618
   60    HG2  LYS  12           2HG      LYS  12  -2.932  -9.559  -7.750
   61    HG3  LYS  12           1HG      LYS  12  -1.325  -9.968  -7.145
   62    HD2  LYS  12           2HD      LYS  12  -2.034 -12.302  -6.869
   63    HD3  LYS  12           1HD      LYS  12  -3.632 -11.886  -7.491
   64    HE2  LYS  12           2HE      LYS  12  -1.099 -11.442  -9.055
   65    HE3  LYS  12           1HE      LYS  12  -2.023 -12.941  -9.139
   66    HZ1  LYS  12           3HZ      LYS  12  -3.938 -11.675  -9.901
   67    HZ2  LYS  12           1HZ      LYS  12  -2.616 -11.437 -10.932
   68    HZ3  LYS  12           2HZ      LYS  12  -3.051 -10.237  -9.821
   69    H    LEU  13           H        LEU  13  -5.063  -8.714  -4.251
   70    HA   LEU  13           HA       LEU  13  -6.002  -6.242  -5.481
   71    HB2  LEU  13           2HB      LEU  13  -7.280  -8.937  -5.973
   72    HB3  LEU  13           1HB      LEU  13  -8.081  -7.412  -6.298
   73    HG   LEU  13           HG       LEU  13  -5.430  -7.939  -7.576
   74   HD11  LEU  13          1HD1      LEU  13  -8.058  -9.062  -8.539
   75   HD12  LEU  13          2HD1      LEU  13  -6.668  -9.991  -7.975
   76   HD13  LEU  13          3HD1      LEU  13  -6.551  -9.041  -9.456
   77   HD21  LEU  13          3HD2      LEU  13  -6.479  -5.746  -7.823
   78   HD22  LEU  13          1HD2      LEU  13  -7.932  -6.506  -8.473
   79   HD23  LEU  13          2HD2      LEU  13  -6.415  -6.593  -9.369
   80    H    ARG  14           H        ARG  14  -6.175  -5.365  -3.441
   81    HA   ARG  14           HA       ARG  14  -8.534  -6.183  -1.930
   82    HB2  ARG  14           2HB      ARG  14  -5.762  -5.982  -0.748
   83    HB3  ARG  14           1HB      ARG  14  -7.206  -5.813   0.238
   84    HG2  ARG  14           2HG      ARG  14  -7.917  -8.060  -0.431
   85    HG3  ARG  14           1HG      ARG  14  -6.453  -8.227  -1.401
   86    HD2  ARG  14           2HD      ARG  14  -5.090  -7.967   0.614
   87    HD3  ARG  14           1HD      ARG  14  -6.553  -7.793   1.583
   88    HE   ARG  14           HE       ARG  14  -6.650 -10.214   0.141
   89   HH11  ARG  14          2HH1      ARG  14  -4.976  -8.792   2.881
   90   HH12  ARG  14          1HH1      ARG  14  -4.709 -10.317   3.656
   91   HH21  ARG  14          2HH2      ARG  14  -6.289 -12.200   1.174
   92   HH22  ARG  14          1HH2      ARG  14  -5.452 -12.244   2.690
   93    H    LEU  15           H        LEU  15  -5.803  -3.874  -1.783
   94    HA   LEU  15           HA       LEU  15  -7.639  -1.634  -2.028
   95    HB2  LEU  15           2HB      LEU  15  -7.515  -2.045   0.408
   96    HB3  LEU  15           1HB      LEU  15  -5.772  -1.916   0.344
   97    HG   LEU  15           HG       LEU  15  -5.971   0.475  -0.250
   98   HD11  LEU  15          1HD1      LEU  15  -8.933   0.031   0.094
   99   HD12  LEU  15          2HD1      LEU  15  -8.100   0.522  -1.381
  100   HD13  LEU  15          3HD1      LEU  15  -8.146   1.608   0.007
  101   HD21  LEU  15          3HD2      LEU  15  -7.105   1.170   1.961
  102   HD22  LEU  15          1HD2      LEU  15  -5.655   0.166   2.023
  103   HD23  LEU  15          2HD2      LEU  15  -7.244  -0.565   2.246
  104    H    TYR  16           H        TYR  16  -6.705   0.190  -2.888
  105    HA   TYR  16           HA       TYR  16  -4.059  -0.192  -4.068
  106    HB2  TYR  16           2HB      TYR  16  -6.291   1.761  -4.653
  107    HB3  TYR  16           1HB      TYR  16  -4.716   1.837  -5.434
  108    HD1  TYR  16           2HD      TYR  16  -7.865  -0.016  -5.178
  109    HD2  TYR  16           1HD      TYR  16  -4.065   0.170  -7.081
  110    HE1  TYR  16           2HE      TYR  16  -8.640  -1.624  -6.868
  111    HE2  TYR  16           1HE      TYR  16  -4.829  -1.437  -8.778
  112    HH   TYR  16           HH       TYR  16  -6.534  -3.193  -9.015
  113    H    CYS  17           H        CYS  17  -2.528   1.574  -4.139
  114    HA   CYS  17           HA       CYS  17  -2.274   2.894  -1.571
  115    HB2  CYS  17           2HB      CYS  17  -0.479   1.868  -3.494
  116    HB3  CYS  17           1HB      CYS  17  -0.186   3.600  -3.410
  117    H    CYS  18           H        CYS  18  -2.342   5.038  -1.166
  118    HA   CYS  18           HA       CYS  18  -3.804   6.753  -2.872
  119    HB2  CYS  18           2HB      CYS  18  -2.877   6.777  -0.194
  120    HB3  CYS  18           1HB      CYS  18  -2.325   8.269  -0.945
  121    H    SER  19           H        SER  19  -0.386   6.206  -2.470
  122    HA   SER  19           HA       SER  19   0.296   8.507  -4.154
  123    HB2  SER  19           2HB      SER  19   2.661   7.915  -3.544
  124    HB3  SER  19           1HB      SER  19   1.645   8.332  -2.165
  125    HG   SER  19           HG       SER  19   2.327   6.486  -1.420
  126    H    GLY  20           H        GLY  20   0.165   5.029  -4.156
  127    HA2  GLY  20           2HA      GLY  20  -0.060   3.770  -6.159
  128    HA3  GLY  20           1HA      GLY  20   0.832   5.016  -7.013
  129    H    PHE  21           H        PHE  21   1.635   3.216  -4.032
  130    HA   PHE  21           HA       PHE  21   3.777   1.813  -5.425
  131    HB2  PHE  21           2HB      PHE  21   4.887   3.866  -4.714
  132    HB3  PHE  21           1HB      PHE  21   4.303   3.655  -3.071
  133    HD1  PHE  21           2HD      PHE  21   5.175   1.715  -1.721
  134    HD2  PHE  21           1HD      PHE  21   6.917   2.886  -5.423
  135    HE1  PHE  21           2HE      PHE  21   7.219   0.475  -1.147
  136    HE2  PHE  21           1HE      PHE  21   8.968   1.651  -4.843
  137    HZ   PHE  21           HZ       PHE  21   9.106   0.449  -2.690
  138    H    CYS  22           H        CYS  22   3.465  -0.223  -4.950
  139    HA   CYS  22           HA       CYS  22   2.770  -0.986  -2.192
  140    HB2  CYS  22           2HB      CYS  22   1.816  -1.975  -4.819
  141    HB3  CYS  22           1HB      CYS  22   2.132  -3.207  -3.602
  142    H    ASP  23           H        ASP  23   4.477  -1.753  -1.138
  143    HA   ASP  23           HA       ASP  23   6.802  -2.771  -2.502
  144    HB2  ASP  23           2HB      ASP  23   6.265  -1.656   0.040
  145    HB3  ASP  23           1HB      ASP  23   6.892  -3.277   0.326
  146    H    SER  24           H        SER  24   7.063  -4.772  -3.157
  147    HA   SER  24           HA       SER  24   5.357  -6.914  -2.178
  148    HB2  SER  24           2HB      SER  24   5.761  -6.551  -4.622
  149    HB3  SER  24           1HB      SER  24   7.443  -7.015  -4.366
  150    HG   SER  24           HG       SER  24   6.706  -8.958  -4.700
  151    H    TYR  25           H        TYR  25   8.393  -5.687  -1.405
  152    HA   TYR  25           HA       TYR  25   9.730  -8.160  -0.775
  153    HB2  TYR  25           2HB      TYR  25  10.740  -5.800  -1.336
  154    HB3  TYR  25           1HB      TYR  25  10.535  -5.516   0.387
  155    HD1  TYR  25           1HD      TYR  25  12.373  -7.411  -2.152
  156    HD2  TYR  25           2HD      TYR  25  11.888  -6.711   2.016
  157    HE1  TYR  25           1HE      TYR  25  14.506  -8.556  -1.717
  158    HE2  TYR  25           2HE      TYR  25  14.019  -7.853   2.463
  159    HH   TYR  25           HH       TYR  25  15.477  -9.516   1.387
  160    H    THR  26           H        THR  26   7.617  -5.951   0.857
  161    HA   THR  26           HA       THR  26   7.772  -7.585   3.302
  162    HB   THR  26           HB       THR  26   7.174  -5.479   4.583
  163    HG1  THR  26           1HG      THR  26   7.430  -3.534   3.585
  164   HG21  THR  26          3HG2      THR  26   9.424  -6.427   4.669
  165   HG22  THR  26          1HG2      THR  26   9.491  -4.665   4.683
  166   HG23  THR  26          2HG2      THR  26   9.862  -5.549   3.203
  167    H    LYS  27           H        LYS  27   5.902  -6.674   0.753
  168    HA   LYS  27           HA       LYS  27   3.704  -6.709   0.205
  169    HB2  LYS  27           2HB      LYS  27   3.614  -8.459   2.665
  170    HB3  LYS  27           1HB      LYS  27   2.200  -8.173   1.661
  171    HG2  LYS  27           2HG      LYS  27   3.364  -9.134  -0.260
  172    HG3  LYS  27           1HG      LYS  27   4.788  -9.416   0.744
  173    HD2  LYS  27           2HD      LYS  27   3.474 -10.901   2.183
  174    HD3  LYS  27           1HD      LYS  27   2.054 -10.619   1.175
  175    HE2  LYS  27           2HE      LYS  27   3.221 -11.595  -0.741
  176    HE3  LYS  27           1HE      LYS  27   4.644 -11.870   0.264
  177    HZ1  LYS  27           3HZ      LYS  27   3.322 -13.876   0.039
  178    HZ2  LYS  27           1HZ      LYS  27   1.968 -13.092   0.682
  179    HZ3  LYS  27           2HZ      LYS  27   3.330 -13.356   1.648
  180    H    THR  28           H        THR  28   4.383  -4.366   1.255
  181    HA   THR  28           HA       THR  28   1.954  -3.530   2.671
  182    HB   THR  28           HB       THR  28   3.379  -1.934   4.060
  183    HG1  THR  28           1HG      THR  28   5.503  -3.656   4.065
  184   HG21  THR  28          3HG2      THR  28   3.835  -3.611   5.793
  185   HG22  THR  28          1HG2      THR  28   3.619  -4.896   4.604
  186   HG23  THR  28          2HG2      THR  28   2.258  -3.866   5.047
  187    H    CYS  29           H        CYS  29   1.496  -1.254   2.512
  188    HA   CYS  29           HA       CYS  29   2.309  -0.147  -0.049
  189    HB2  CYS  29           2HB      CYS  29  -0.028  -0.051   1.571
  190    HB3  CYS  29           1HB      CYS  29   0.558   1.599   1.387
  191    H    LYS  30           H        LYS  30   3.686   1.510  -0.341
  192    HA   LYS  30           HA       LYS  30   4.416   3.203   1.953
  193    HB2  LYS  30           2HB      LYS  30   6.391   1.780   0.163
  194    HB3  LYS  30           1HB      LYS  30   6.830   3.050   1.281
  195    HG2  LYS  30           2HG      LYS  30   5.829   1.557   3.096
  196    HG3  LYS  30           1HG      LYS  30   5.862   0.278   1.878
  197    HD2  LYS  30           2HD      LYS  30   8.270   0.604   1.599
  198    HD3  LYS  30           1HD      LYS  30   8.239   1.882   2.816
  199    HE2  LYS  30           2HE      LYS  30   7.475   0.270   4.489
  200    HE3  LYS  30           1HE      LYS  30   7.499  -1.007   3.272
  201    HZ1  LYS  30           3HZ      LYS  30   9.486  -1.053   4.640
  202    HZ2  LYS  30           1HZ      LYS  30   9.860   0.538   4.201
  203    HZ3  LYS  30           2HZ      LYS  30   9.882  -0.690   3.037
  204    H    ASP  31           H        ASP  31   5.821   5.096   1.215
  205    HA   ASP  31           HA       ASP  31   4.586   6.307  -1.126
  206    HB2  ASP  31           2HB      ASP  31   6.359   7.405   1.062
  207    HB3  ASP  31           1HB      ASP  31   5.836   8.365  -0.317
  208    H    LYS  32           H        LYS  32   5.899   7.492  -2.713
  209    HA   LYS  32           HA       LYS  32   8.189   5.908  -3.550
  210    HB2  LYS  32           2HB      LYS  32   6.660   8.147  -4.883
  211    HB3  LYS  32           1HB      LYS  32   8.088   7.408  -5.593
  212    HG2  LYS  32           2HG      LYS  32   6.909   5.217  -5.519
  213    HG3  LYS  32           1HG      LYS  32   5.463   6.073  -4.980
  214    HD2  LYS  32           2HD      LYS  32   5.469   7.396  -7.029
  215    HD3  LYS  32           1HD      LYS  32   6.937   6.576  -7.564
  216    HE2  LYS  32           2HE      LYS  32   5.731   4.442  -7.574
  217    HE3  LYS  32           1HE      LYS  32   4.265   5.271  -7.053
  218    HZ1  LYS  32           3HZ      LYS  32   5.712   5.754  -9.601
  219    HZ2  LYS  32           1HZ      LYS  32   4.306   6.552  -9.102
  220    HZ3  LYS  32           2HZ      LYS  32   4.266   4.894  -9.436
  221    H    SER  33           H        SER  33   7.503   9.268  -2.632
  222    HA   SER  33           HA       SER  33  10.403   9.784  -2.503
  223    HB2  SER  33           2HB      SER  33   8.135  11.755  -2.881
  224    HB3  SER  33           1HB      SER  33   9.841  12.179  -2.757
  225    HG   SER  33           HG       SER  33   9.457  10.272  -4.629
  226    H    SER  34           H        SER  34  11.229  10.934  -0.727
  227    HA   SER  34           HA       SER  34   9.650  10.621   1.719
  228    HB2  SER  34           2HB      SER  34  12.616  11.106   1.346
  229    HB3  SER  34           1HB      SER  34  11.812  10.859   2.897
  230    HG   SER  34           HG       SER  34  11.060   8.805   1.840
  231    H    ALA  35           H        ALA  35  11.539  13.051  -0.044
  232    HA   ALA  35           HA       ALA  35  10.303  15.141   1.628
  233    HB1  ALA  35           1HB      ALA  35  12.721  14.986   1.994
  234    HB2  ALA  35           2HB      ALA  35  12.275  16.522   1.249
  235    HB3  ALA  35           3HB      ALA  35  12.998  15.243   0.272
  Start of MODEL   11
    1    H1   GLY   1           1HT      GLY   1 -13.598   7.299  -5.093
    2    H2   GLY   1           2HT      GLY   1 -12.013   7.232  -4.507
    3    H3   GLY   1           3HT      GLY   1 -13.194   8.088  -3.651
    4    HA2  GLY   1           1HA      GLY   1 -14.399   6.041  -3.202
    5    HA3  GLY   1           2HA      GLY   1 -13.170   5.151  -4.090
    6    H    TRP   2           H        TRP   2 -12.672   3.882  -2.289
    7    HA   TRP   2           HA       TRP   2 -11.559   5.219   0.065
    8    HB2  TRP   2           2HB      TRP   2 -12.253   2.325  -0.473
    9    HB3  TRP   2           1HB      TRP   2 -11.479   2.882   1.006
   10    HD1  TRP   2           HD       TRP   2 -14.822   3.067  -0.871
   11    HE1  TRP   2           1HE      TRP   2 -16.665   3.737   0.794
   12    HE3  TRP   2           3HE      TRP   2 -11.911   4.068   3.226
   13    HZ2  TRP   2           2HZ      TRP   2 -16.866   4.575   3.478
   14    HZ3  TRP   2           3HZ      TRP   2 -13.015   4.797   5.300
   15    HH2  TRP   2           HH       TRP   2 -15.440   5.046   5.421
   16    H    CYS   3           H        CYS   3  -9.448   5.313   0.498
   17    HA   CYS   3           HA       CYS   3  -7.603   3.759  -1.197
   18    HB2  CYS   3           2HB      CYS   3  -7.708   6.299  -1.558
   19    HB3  CYS   3           1HB      CYS   3  -6.932   6.436   0.017
   20    H    GLY   4           H        GLY   4  -5.567   3.156  -0.236
   21    HA2  GLY   4           2HA      GLY   4  -5.872   2.448   2.578
   22    HA3  GLY   4           1HA      GLY   4  -4.676   1.805   1.465
   23    H    ASP   5           H        ASP   5  -4.475   2.939   4.207
   24    HA   ASP   5           HA       ASP   5  -2.836   5.324   3.816
   25    HB2  ASP   5           2HB      ASP   5  -3.900   3.921   6.269
   26    HB3  ASP   5           1HB      ASP   5  -2.739   5.239   6.372
   27    HA   HYP   6           HA       HYP   6   1.170   3.339   4.041
   28    HB2  HYP   6           2HB      HYP   6   1.948   5.049   6.345
   29    HB3  HYP   6           1HB      HYP   6   2.718   4.878   4.754
   30    HG   HYP   6           2HG      HYP   6   1.363   7.082   5.360
   31   HD22  HYP   6          1HD       HYP   6  -0.941   6.410   4.111
   32   HD23  HYP   6          2HD       HYP   6  -0.753   6.266   5.871
   33    HD1  HYP   6           1HG      HYP   6   1.769   7.269   3.278
   34    H    GLY   7           H        GLY   7   1.812   1.476   4.884
   35    HA2  GLY   7           2HA      GLY   7   2.544   0.101   6.707
   36    HA3  GLY   7           1HA      GLY   7   1.417   0.949   7.754
   37    H    ALA   8           H        ALA   8   0.031   0.231   4.767
   38    HA   ALA   8           HA       ALA   8  -1.503  -1.977   5.936
   39    HB1  ALA   8           1HB      ALA   8  -2.106  -0.279   3.516
   40    HB2  ALA   8           2HB      ALA   8  -2.771  -0.042   5.131
   41    HB3  ALA   8           3HB      ALA   8  -3.167  -1.499   4.220
   42    H    THR   9           H        THR   9  -1.981  -3.860   4.699
   43    HA   THR   9           HA       THR   9   0.256  -4.834   3.169
   44    HB   THR   9           HB       THR   9  -2.269  -6.417   3.312
   45    HG1  THR   9           1HG      THR   9  -0.603  -5.900   5.572
   46   HG21  THR   9          3HG2      THR   9  -0.710  -8.248   3.759
   47   HG22  THR   9          1HG2      THR   9   0.629  -7.103   3.835
   48   HG23  THR   9          2HG2      THR   9  -0.227  -7.357   2.316
   49    H    CYS  10           H        CYS  10   0.501  -4.716   1.042
   50    HA   CYS  10           HA       CYS  10  -1.811  -4.031  -0.639
   51    HB2  CYS  10           2HB      CYS  10   0.159  -2.507  -0.674
   52    HB3  CYS  10           1HB      CYS  10   1.136  -3.832  -1.294
   53    H    GLY  11           H        GLY  11  -2.244  -5.130  -2.562
   54    HA2  GLY  11           2HA      GLY  11  -0.732  -7.273  -3.599
   55    HA3  GLY  11           1HA      GLY  11  -1.959  -7.917  -2.520
   56    H    LYS  12           H        LYS  12  -3.223  -8.922  -4.012
   57    HA   LYS  12           HA       LYS  12  -4.251  -7.374  -6.277
   58    HB2  LYS  12           2HB      LYS  12  -4.264 -10.319  -5.634
   59    HB3  LYS  12           1HB      LYS  12  -5.242  -9.646  -6.931
   60    HG2  LYS  12           2HG      LYS  12  -3.227  -8.812  -8.027
   61    HG3  LYS  12           1HG      LYS  12  -2.242  -9.472  -6.719
   62    HD2  LYS  12           2HD      LYS  12  -3.027 -11.727  -7.272
   63    HD3  LYS  12           1HD      LYS  12  -4.006 -11.062  -8.582
   64    HE2  LYS  12           2HE      LYS  12  -1.979 -10.236  -9.676
   65    HE3  LYS  12           1HE      LYS  12  -1.002 -10.897  -8.365
   66    HZ1  LYS  12           3HZ      LYS  12  -1.764 -13.110  -8.959
   67    HZ2  LYS  12           1HZ      LYS  12  -1.024 -12.364 -10.285
   68    HZ3  LYS  12           2HZ      LYS  12  -2.709 -12.479 -10.210
   69    H    LEU  13           H        LEU  13  -5.401  -9.256  -3.490
   70    HA   LEU  13           HA       LEU  13  -8.149  -8.372  -3.941
   71    HB2  LEU  13           2HB      LEU  13  -6.929 -10.296  -1.961
   72    HB3  LEU  13           1HB      LEU  13  -8.624  -9.851  -1.948
   73    HG   LEU  13           HG       LEU  13  -8.503 -10.677  -4.469
   74   HD11  LEU  13          1HD1      LEU  13  -7.027 -12.610  -4.699
   75   HD12  LEU  13          2HD1      LEU  13  -6.321 -12.263  -3.119
   76   HD13  LEU  13          3HD1      LEU  13  -6.107 -11.125  -4.450
   77   HD21  LEU  13          3HD2      LEU  13  -8.660 -12.505  -2.075
   78   HD22  LEU  13          1HD2      LEU  13  -9.252 -12.881  -3.695
   79   HD23  LEU  13          2HD2      LEU  13  -9.986 -11.572  -2.768
   80    H    ARG  14           H        ARG  14  -5.470  -7.167  -2.435
   81    HA   ARG  14           HA       ARG  14  -6.823  -6.014  -0.125
   82    HB2  ARG  14           2HB      ARG  14  -3.964  -6.065  -1.075
   83    HB3  ARG  14           1HB      ARG  14  -4.474  -4.999   0.227
   84    HG2  ARG  14           2HG      ARG  14  -4.915  -6.756   1.672
   85    HG3  ARG  14           1HG      ARG  14  -5.079  -7.924   0.360
   86    HD2  ARG  14           2HD      ARG  14  -2.468  -6.570   0.978
   87    HD3  ARG  14           1HD      ARG  14  -2.969  -8.052   1.792
   88    HE   ARG  14           HE       ARG  14  -3.027  -8.144  -1.102
   89   HH11  ARG  14          2HH1      ARG  14  -1.136  -8.822   1.779
   90   HH12  ARG  14          1HH1      ARG  14  -0.107  -9.960   0.974
   91   HH21  ARG  14          2HH2      ARG  14  -1.670  -9.641  -2.133
   92   HH22  ARG  14          1HH2      ARG  14  -0.409 -10.422  -1.238
   93    H    LEU  15           H        LEU  15  -6.156  -3.582   0.277
   94    HA   LEU  15           HA       LEU  15  -7.429  -2.038  -1.758
   95    HB2  LEU  15           2HB      LEU  15  -6.933  -1.762   0.967
   96    HB3  LEU  15           1HB      LEU  15  -5.985  -0.484   0.235
   97    HG   LEU  15           HG       LEU  15  -8.867  -0.790  -0.530
   98   HD11  LEU  15          1HD1      LEU  15  -9.497   0.697   1.305
   99   HD12  LEU  15          2HD1      LEU  15  -7.857   0.595   1.948
  100   HD13  LEU  15          3HD1      LEU  15  -8.877  -0.843   1.900
  101   HD21  LEU  15          3HD2      LEU  15  -6.990   1.562  -0.289
  102   HD22  LEU  15          1HD2      LEU  15  -8.686   1.661  -0.764
  103   HD23  LEU  15          2HD2      LEU  15  -7.535   0.798  -1.782
  104    H    TYR  16           H        TYR  16  -6.575  -0.177  -2.842
  105    HA   TYR  16           HA       TYR  16  -3.930  -0.632  -3.916
  106    HB2  TYR  16           2HB      TYR  16  -6.120   1.331  -4.602
  107    HB3  TYR  16           1HB      TYR  16  -4.559   1.317  -5.414
  108    HD1  TYR  16           2HD      TYR  16  -7.738  -0.444  -4.976
  109    HD2  TYR  16           1HD      TYR  16  -3.966  -0.479  -6.943
  110    HE1  TYR  16           2HE      TYR  16  -8.572  -2.155  -6.531
  111    HE2  TYR  16           1HE      TYR  16  -4.789  -2.190  -8.505
  112    HH   TYR  16           HH       TYR  16  -8.074  -2.991  -8.789
  113    H    CYS  17           H        CYS  17  -2.415   1.179  -4.261
  114    HA   CYS  17           HA       CYS  17  -1.952   2.605  -1.776
  115    HB2  CYS  17           2HB      CYS  17  -0.325   1.488  -3.814
  116    HB3  CYS  17           1HB      CYS  17   0.000   3.217  -3.779
  117    H    CYS  18           H        CYS  18  -1.976   4.775  -1.478
  118    HA   CYS  18           HA       CYS  18  -3.499   6.396  -3.272
  119    HB2  CYS  18           2HB      CYS  18  -1.931   7.201  -0.815
  120    HB3  CYS  18           1HB      CYS  18  -3.135   8.187  -1.635
  121    H    SER  19           H        SER  19  -0.080   5.982  -2.650
  122    HA   SER  19           HA       SER  19   0.648   8.286  -4.290
  123    HB2  SER  19           2HB      SER  19   2.377   6.310  -2.784
  124    HB3  SER  19           1HB      SER  19   2.967   7.739  -3.633
  125    HG   SER  19           HG       SER  19   1.580   8.971  -2.208
  126    H    GLY  20           H        GLY  20   0.489   4.808  -4.460
  127    HA2  GLY  20           2HA      GLY  20   0.311   3.650  -6.528
  128    HA3  GLY  20           1HA      GLY  20   1.228   4.935  -7.296
  129    H    PHE  21           H        PHE  21   2.241   3.432  -4.281
  130    HA   PHE  21           HA       PHE  21   4.220   1.807  -5.693
  131    HB2  PHE  21           2HB      PHE  21   5.485   3.796  -5.303
  132    HB3  PHE  21           1HB      PHE  21   4.879   3.950  -3.662
  133    HD1  PHE  21           1HD      PHE  21   6.762   1.425  -5.712
  134    HD2  PHE  21           2HD      PHE  21   6.357   3.446  -1.983
  135    HE1  PHE  21           1HE      PHE  21   8.737   0.234  -4.850
  136    HE2  PHE  21           2HE      PHE  21   8.334   2.260  -1.127
  137    HZ   PHE  21           HZ       PHE  21   9.521   0.657  -2.555
  138    H    CYS  22           H        CYS  22   3.984  -0.167  -5.012
  139    HA   CYS  22           HA       CYS  22   3.369  -0.679  -2.178
  140    HB2  CYS  22           2HB      CYS  22   2.604  -2.195  -4.671
  141    HB3  CYS  22           1HB      CYS  22   2.544  -2.939  -3.078
  142    H    ASP  23           H        ASP  23   4.980  -1.527  -1.047
  143    HA   ASP  23           HA       ASP  23   7.360  -2.511  -2.352
  144    HB2  ASP  23           2HB      ASP  23   6.746  -1.358   0.161
  145    HB3  ASP  23           1HB      ASP  23   7.407  -2.959   0.485
  146    H    SER  24           H        SER  24   7.706  -4.522  -2.923
  147    HA   SER  24           HA       SER  24   5.956  -6.664  -2.064
  148    HB2  SER  24           2HB      SER  24   8.243  -6.647  -4.045
  149    HB3  SER  24           1HB      SER  24   7.145  -7.999  -3.773
  150    HG   SER  24           HG       SER  24   6.800  -5.831  -5.315
  151    H    TYR  25           H        TYR  25   8.883  -5.403  -0.969
  152    HA   TYR  25           HA       TYR  25  10.191  -7.825  -0.167
  153    HB2  TYR  25           2HB      TYR  25  11.146  -5.395  -0.510
  154    HB3  TYR  25           1HB      TYR  25  10.701  -5.197   1.180
  155    HD1  TYR  25           2HD      TYR  25  11.874  -6.421   2.928
  156    HD2  TYR  25           1HD      TYR  25  12.958  -6.877  -1.161
  157    HE1  TYR  25           2HE      TYR  25  13.981  -7.490   3.611
  158    HE2  TYR  25           1HE      TYR  25  15.067  -7.948  -0.489
  159    HH   TYR  25           HH       TYR  25  15.656  -9.026   2.672
  160    H    THR  26           H        THR  26   7.646  -5.918   1.105
  161    HA   THR  26           HA       THR  26   7.502  -7.611   3.492
  162    HB   THR  26           HB       THR  26   6.746  -5.582   4.816
  163    HG1  THR  26           1HG      THR  26   8.024  -3.663   3.703
  164   HG21  THR  26          3HG2      THR  26   8.941  -6.596   5.172
  165   HG22  THR  26          1HG2      THR  26   9.032  -4.841   5.328
  166   HG23  THR  26          2HG2      THR  26   9.613  -5.627   3.860
  167    H    LYS  27           H        LYS  27   6.048  -6.501   0.763
  168    HA   LYS  27           HA       LYS  27   3.956  -6.443  -0.108
  169    HB2  LYS  27           2HB      LYS  27   3.474  -8.335   2.197
  170    HB3  LYS  27           1HB      LYS  27   2.226  -7.948   1.022
  171    HG2  LYS  27           2HG      LYS  27   3.645  -8.818  -0.771
  172    HG3  LYS  27           1HG      LYS  27   4.892  -9.212   0.414
  173    HD2  LYS  27           2HD      LYS  27   3.344 -10.741   1.534
  174    HD3  LYS  27           1HD      LYS  27   2.095 -10.344   0.352
  175    HE2  LYS  27           2HE      LYS  27   3.509 -11.230  -1.437
  176    HE3  LYS  27           1HE      LYS  27   4.757 -11.626  -0.256
  177    HZ1  LYS  27           3HZ      LYS  27   3.430 -13.561  -0.816
  178    HZ2  LYS  27           1HZ      LYS  27   2.016 -12.769  -0.326
  179    HZ3  LYS  27           2HZ      LYS  27   3.211 -13.150   0.809
  180    H    THR  28           H        THR  28   4.554  -4.207   1.265
  181    HA   THR  28           HA       THR  28   1.970  -3.436   2.457
  182    HB   THR  28           HB       THR  28   3.281  -1.831   3.936
  183    HG1  THR  28           1HG      THR  28   5.468  -3.458   4.014
  184   HG21  THR  28          3HG2      THR  28   3.731  -3.530   5.650
  185   HG22  THR  28          1HG2      THR  28   3.610  -4.794   4.426
  186   HG23  THR  28          2HG2      THR  28   2.194  -3.825   4.837
  187    H    CYS  29           H        CYS  29   1.538  -1.115   2.401
  188    HA   CYS  29           HA       CYS  29   2.286   0.018  -0.159
  189    HB2  CYS  29           2HB      CYS  29   0.061   0.227   1.653
  190    HB3  CYS  29           1HB      CYS  29   0.670   1.833   1.277
  191    H    LYS  30           H        LYS  30   3.790   1.516  -0.477
  192    HA   LYS  30           HA       LYS  30   4.661   3.201   1.771
  193    HB2  LYS  30           2HB      LYS  30   6.430   1.621  -0.095
  194    HB3  LYS  30           1HB      LYS  30   7.027   2.956   0.879
  195    HG2  LYS  30           2HG      LYS  30   6.104   1.659   2.885
  196    HG3  LYS  30           1HG      LYS  30   6.000   0.290   1.775
  197    HD2  LYS  30           2HD      LYS  30   8.389   0.487   1.299
  198    HD3  LYS  30           1HD      LYS  30   8.497   1.864   2.398
  199    HE2  LYS  30           2HE      LYS  30   7.806   0.431   4.257
  200    HE3  LYS  30           1HE      LYS  30   7.694  -0.943   3.157
  201    HZ1  LYS  30           3HZ      LYS  30   9.776  -0.960   4.372
  202    HZ2  LYS  30           1HZ      LYS  30  10.168   0.577   3.783
  203    HZ3  LYS  30           2HZ      LYS  30  10.064  -0.735   2.721
  204    H    ASP  31           H        ASP  31   5.841   5.145   1.099
  205    HA   ASP  31           HA       ASP  31   4.664   6.306  -1.295
  206    HB2  ASP  31           2HB      ASP  31   6.257   7.487   0.985
  207    HB3  ASP  31           1HB      ASP  31   5.742   8.424  -0.413
  208    H    LYS  32           H        LYS  32   5.792   7.124  -3.031
  209    HA   LYS  32           HA       LYS  32   8.482   6.044  -3.406
  210    HB2  LYS  32           2HB      LYS  32   6.392   5.924  -5.054
  211    HB3  LYS  32           1HB      LYS  32   7.034   7.470  -5.589
  212    HG2  LYS  32           2HG      LYS  32   9.179   6.418  -6.084
  213    HG3  LYS  32           1HG      LYS  32   8.549   4.866  -5.528
  214    HD2  LYS  32           2HD      LYS  32   6.845   4.933  -7.289
  215    HD3  LYS  32           1HD      LYS  32   7.485   6.481  -7.846
  216    HE2  LYS  32           2HE      LYS  32   9.628   5.414  -8.343
  217    HE3  LYS  32           1HE      LYS  32   8.992   3.869  -7.782
  218    HZ1  LYS  32           3HZ      LYS  32   8.910   4.035 -10.188
  219    HZ2  LYS  32           1HZ      LYS  32   7.957   5.430 -10.087
  220    HZ3  LYS  32           2HZ      LYS  32   7.345   3.947  -9.550
  221    H    SER  33           H        SER  33   6.742   9.138  -3.595
  222    HA   SER  33           HA       SER  33   9.309  10.557  -3.786
  223    HB2  SER  33           2HB      SER  33   7.894  12.525  -4.451
  224    HB3  SER  33           1HB      SER  33   7.809  11.165  -5.569
  225    HG   SER  33           HG       SER  33   5.807  12.364  -4.389
  226    H    SER  34           H        SER  34   9.840  12.196  -2.365
  227    HA   SER  34           HA       SER  34   8.131  12.492   0.014
  228    HB2  SER  34           2HB      SER  34  11.147  12.225  -0.017
  229    HB3  SER  34           1HB      SER  34  10.171  12.566   1.411
  230    HG   SER  34           HG       SER  34   9.445  10.340  -0.077
  231    H    ALA  35           H        ALA  35  10.718  13.910  -1.959
  232    HA   ALA  35           HA       ALA  35  11.347  16.026  -2.457
  233    HB1  ALA  35           1HB      ALA  35   9.011  16.256  -3.187
  234    HB2  ALA  35           2HB      ALA  35   9.672  17.773  -2.577
  235    HB3  ALA  35           3HB      ALA  35   8.573  16.825  -1.575
  Start of MODEL   12
    1    H1   GLY   1           1HT      GLY   1 -13.673   2.439  -4.333
    2    H2   GLY   1           2HT      GLY   1 -14.026   3.047  -5.871
    3    H3   GLY   1           3HT      GLY   1 -14.408   3.955  -4.496
    4    HA2  GLY   1           1HA      GLY   1 -11.671   3.259  -5.413
    5    HA3  GLY   1           2HA      GLY   1 -12.436   4.832  -5.582
    6    H    TRP   2           H        TRP   2 -11.310   2.452  -3.229
    7    HA   TRP   2           HA       TRP   2 -11.268   4.482  -1.121
    8    HB2  TRP   2           2HB      TRP   2 -10.858   1.489  -1.067
    9    HB3  TRP   2           1HB      TRP   2 -10.611   2.518   0.338
   10    HD1  TRP   2           HD       TRP   2 -13.362   1.051  -1.857
   11    HE1  TRP   2           1HE      TRP   2 -15.628   1.362  -0.681
   12    HE3  TRP   2           3HE      TRP   2 -11.876   4.051   2.021
   13    HZ2  TRP   2           2HZ      TRP   2 -16.654   2.694   1.581
   14    HZ3  TRP   2           3HZ      TRP   2 -13.568   4.797   3.644
   15    HH2  TRP   2           HH       TRP   2 -15.907   4.132   3.426
   16    H    CYS   3           H        CYS   3  -9.433   5.211  -0.147
   17    HA   CYS   3           HA       CYS   3  -6.907   4.634  -1.529
   18    HB2  CYS   3           2HB      CYS   3  -7.998   7.027  -1.084
   19    HB3  CYS   3           1HB      CYS   3  -7.142   6.855   0.443
   20    H    GLY   4           H        GLY   4  -5.207   3.726  -0.516
   21    HA2  GLY   4           2HA      GLY   4  -5.625   2.743   2.209
   22    HA3  GLY   4           1HA      GLY   4  -4.412   2.173   1.076
   23    H    ASP   5           H        ASP   5  -4.461   3.280   3.943
   24    HA   ASP   5           HA       ASP   5  -2.647   5.548   3.735
   25    HB2  ASP   5           2HB      ASP   5  -3.967   4.158   6.068
   26    HB3  ASP   5           1HB      ASP   5  -2.763   5.424   6.284
   27    HA   HYP   6           HA       HYP   6   1.213   3.342   4.238
   28    HB2  HYP   6           2HB      HYP   6   1.938   5.014   6.581
   29    HB3  HYP   6           1HB      HYP   6   2.784   4.812   5.034
   30    HG   HYP   6           2HG      HYP   6   1.502   7.077   5.588
   31   HD22  HYP   6          1HD       HYP   6  -0.748   6.532   4.190
   32   HD23  HYP   6          2HD       HYP   6  -0.677   6.357   5.957
   33    HD1  HYP   6           1HG      HYP   6   0.753   6.548   3.085
   34    H    GLY   7           H        GLY   7   1.742   1.472   5.152
   35    HA2  GLY   7           2HA      GLY   7   2.276   0.106   7.056
   36    HA3  GLY   7           1HA      GLY   7   1.069   0.987   7.979
   37    H    ALA   8           H        ALA   8  -0.056   0.281   4.888
   38    HA   ALA   8           HA       ALA   8  -1.721  -1.900   5.920
   39    HB1  ALA   8           1HB      ALA   8  -3.221  -1.401   4.063
   40    HB2  ALA   8           2HB      ALA   8  -2.084  -0.198   3.453
   41    HB3  ALA   8           3HB      ALA   8  -2.884   0.052   5.004
   42    H    THR   9           H        THR   9  -2.110  -3.783   4.656
   43    HA   THR   9           HA       THR   9   0.235  -4.719   3.234
   44    HB   THR   9           HB       THR   9  -2.229  -6.401   3.459
   45    HG1  THR   9           1HG      THR   9  -2.232  -6.313   5.567
   46   HG21  THR   9          3HG2      THR   9  -0.209  -7.314   2.413
   47   HG22  THR   9          1HG2      THR   9  -0.580  -8.163   3.914
   48   HG23  THR   9          2HG2      THR   9   0.713  -6.964   3.876
   49    H    CYS  10           H        CYS  10   0.486  -4.652   1.106
   50    HA   CYS  10           HA       CYS  10  -1.835  -4.085  -0.601
   51    HB2  CYS  10           2HB      CYS  10   0.112  -2.530  -0.665
   52    HB3  CYS  10           1HB      CYS  10   1.108  -3.853  -1.261
   53    H    GLY  11           H        GLY  11  -2.195  -5.213  -2.538
   54    HA2  GLY  11           2HA      GLY  11  -0.647  -7.383  -3.467
   55    HA3  GLY  11           1HA      GLY  11  -1.929  -7.995  -2.435
   56    H    LYS  12           H        LYS  12  -3.316  -8.926  -3.810
   57    HA   LYS  12           HA       LYS  12  -4.145  -7.458  -6.217
   58    HB2  LYS  12           2HB      LYS  12  -4.313 -10.373  -5.465
   59    HB3  LYS  12           1HB      LYS  12  -5.204  -9.708  -6.827
   60    HG2  LYS  12           2HG      LYS  12  -3.096  -8.994  -7.849
   61    HG3  LYS  12           1HG      LYS  12  -2.211  -9.684  -6.488
   62    HD2  LYS  12           2HD      LYS  12  -3.092 -11.899  -7.036
   63    HD3  LYS  12           1HD      LYS  12  -3.993 -11.211  -8.387
   64    HE2  LYS  12           2HE      LYS  12  -2.049 -12.146  -9.334
   65    HE3  LYS  12           1HE      LYS  12  -1.761 -10.408  -9.283
   66    HZ1  LYS  12           3HZ      LYS  12  -0.449 -10.722  -7.276
   67    HZ2  LYS  12           1HZ      LYS  12   0.175 -11.650  -8.547
   68    HZ3  LYS  12           2HZ      LYS  12  -0.728 -12.389  -7.324
   69    H    LEU  13           H        LEU  13  -5.491  -9.241  -3.448
   70    HA   LEU  13           HA       LEU  13  -8.147  -8.132  -3.991
   71    HB2  LEU  13           2HB      LEU  13  -7.203 -10.282  -2.093
   72    HB3  LEU  13           1HB      LEU  13  -8.855  -9.698  -2.144
   73    HG   LEU  13           HG       LEU  13  -7.634 -10.741  -4.665
   74   HD11  LEU  13          1HD1      LEU  13  -8.334 -13.014  -4.074
   75   HD12  LEU  13          2HD1      LEU  13  -8.713 -12.467  -2.440
   76   HD13  LEU  13          3HD1      LEU  13  -7.048 -12.429  -3.019
   77   HD21  LEU  13          3HD2      LEU  13  -9.941 -11.456  -5.073
   78   HD22  LEU  13          1HD2      LEU  13  -9.856  -9.729  -4.721
   79   HD23  LEU  13          2HD2      LEU  13 -10.410 -10.856  -3.482
   80    H    ARG  14           H        ARG  14  -5.508  -7.073  -2.473
   81    HA   ARG  14           HA       ARG  14  -6.747  -6.109  -0.017
   82    HB2  ARG  14           2HB      ARG  14  -3.941  -6.034  -1.114
   83    HB3  ARG  14           1HB      ARG  14  -4.402  -5.101   0.305
   84    HG2  ARG  14           2HG      ARG  14  -4.817  -7.020   1.575
   85    HG3  ARG  14           1HG      ARG  14  -4.887  -8.055   0.149
   86    HD2  ARG  14           2HD      ARG  14  -2.500  -7.719  -0.220
   87    HD3  ARG  14           1HD      ARG  14  -2.424  -6.659   1.186
   88    HE   ARG  14           HE       ARG  14  -3.319  -8.811   2.361
   89   HH11  ARG  14          1HH1      ARG  14  -0.891  -8.690  -0.174
   90   HH12  ARG  14          2HH1      ARG  14  -0.088 -10.126   0.367
   91   HH21  ARG  14          1HH2      ARG  14  -2.250 -10.687   3.054
   92   HH22  ARG  14          2HH2      ARG  14  -0.859 -11.255   2.193
   93    H    LEU  15           H        LEU  15  -6.006  -3.697   0.515
   94    HA   LEU  15           HA       LEU  15  -7.451  -2.007  -1.267
   95    HB2  LEU  15           2HB      LEU  15  -6.791  -1.928   1.388
   96    HB3  LEU  15           1HB      LEU  15  -5.728  -0.704   0.726
   97    HG   LEU  15           HG       LEU  15  -8.665  -0.633   0.102
   98   HD11  LEU  15          1HD1      LEU  15  -7.353   0.486   2.575
   99   HD12  LEU  15          2HD1      LEU  15  -8.517  -0.839   2.525
  100   HD13  LEU  15          3HD1      LEU  15  -9.011   0.789   2.057
  101   HD21  LEU  15          3HD2      LEU  15  -6.511   1.469   0.336
  102   HD22  LEU  15          1HD2      LEU  15  -8.213   1.799   0.011
  103   HD23  LEU  15          2HD2      LEU  15  -7.254   0.880  -1.148
  104    H    TYR  16           H        TYR  16  -6.709  -0.142  -2.376
  105    HA   TYR  16           HA       TYR  16  -4.171  -0.508  -3.701
  106    HB2  TYR  16           2HB      TYR  16  -6.461   0.267  -4.702
  107    HB3  TYR  16           1HB      TYR  16  -5.968   1.858  -4.138
  108    HD1  TYR  16           2HD      TYR  16  -5.211  -0.869  -6.488
  109    HD2  TYR  16           1HD      TYR  16  -4.197   3.069  -5.237
  110    HE1  TYR  16           2HE      TYR  16  -3.888  -0.565  -8.538
  111    HE2  TYR  16           1HE      TYR  16  -2.871   3.384  -7.284
  112    HH   TYR  16           HH       TYR  16  -3.056   1.277  -9.937
  113    H    CYS  17           H        CYS  17  -2.647   1.273  -4.023
  114    HA   CYS  17           HA       CYS  17  -2.005   2.571  -1.509
  115    HB2  CYS  17           2HB      CYS  17  -0.525   1.510  -3.678
  116    HB3  CYS  17           1HB      CYS  17  -0.158   3.228  -3.596
  117    H    CYS  18           H        CYS  18  -1.954   4.717  -1.107
  118    HA   CYS  18           HA       CYS  18  -3.560   6.472  -2.665
  119    HB2  CYS  18           2HB      CYS  18  -1.859   6.797  -0.215
  120    HB3  CYS  18           1HB      CYS  18  -2.555   8.208  -1.007
  121    H    SER  19           H        SER  19  -0.081   6.020  -2.342
  122    HA   SER  19           HA       SER  19   0.502   8.316  -4.048
  123    HB2  SER  19           2HB      SER  19   1.879   7.813  -2.007
  124    HB3  SER  19           1HB      SER  19   2.445   6.351  -2.813
  125    HG   SER  19           HG       SER  19   2.676   8.691  -4.272
  126    H    GLY  20           H        GLY  20   0.349   4.836  -4.193
  127    HA2  GLY  20           2HA      GLY  20   0.014   3.673  -6.241
  128    HA3  GLY  20           1HA      GLY  20   0.871   4.955  -7.079
  129    H    PHE  21           H        PHE  21   2.081   3.437  -4.143
  130    HA   PHE  21           HA       PHE  21   3.982   1.843  -5.696
  131    HB2  PHE  21           2HB      PHE  21   5.269   3.815  -5.325
  132    HB3  PHE  21           1HB      PHE  21   4.727   3.952  -3.661
  133    HD1  PHE  21           2HD      PHE  21   6.539   1.458  -5.811
  134    HD2  PHE  21           1HD      PHE  21   6.263   3.425  -2.042
  135    HE1  PHE  21           2HE      PHE  21   8.548   0.263  -5.037
  136    HE2  PHE  21           1HE      PHE  21   8.271   2.234  -1.273
  137    HZ   PHE  21           HZ       PHE  21   9.411   0.656  -2.766
  138    H    CYS  22           H        CYS  22   3.835  -0.151  -5.041
  139    HA   CYS  22           HA       CYS  22   3.308  -0.727  -2.202
  140    HB2  CYS  22           2HB      CYS  22   2.527  -2.236  -4.698
  141    HB3  CYS  22           1HB      CYS  22   2.493  -2.979  -3.104
  142    H    ASP  23           H        ASP  23   4.941  -1.596  -1.121
  143    HA   ASP  23           HA       ASP  23   7.310  -2.511  -2.503
  144    HB2  ASP  23           2HB      ASP  23   6.746  -1.395   0.039
  145    HB3  ASP  23           1HB      ASP  23   7.441  -2.990   0.326
  146    H    SER  24           H        SER  24   7.676  -4.511  -3.099
  147    HA   SER  24           HA       SER  24   5.968  -6.685  -2.242
  148    HB2  SER  24           2HB      SER  24   8.239  -6.616  -4.241
  149    HB3  SER  24           1HB      SER  24   7.163  -7.987  -3.974
  150    HG   SER  24           HG       SER  24   6.677  -6.375  -5.737
  151    H    TYR  25           H        TYR  25   8.834  -5.386  -1.089
  152    HA   TYR  25           HA       TYR  25  10.245  -7.770  -0.371
  153    HB2  TYR  25           2HB      TYR  25  11.076  -5.283  -0.565
  154    HB3  TYR  25           1HB      TYR  25  10.575  -5.189   1.118
  155    HD1  TYR  25           1HD      TYR  25  11.764  -6.434   2.842
  156    HD2  TYR  25           2HD      TYR  25  12.986  -6.628  -1.228
  157    HE1  TYR  25           1HE      TYR  25  13.907  -7.418   3.540
  158    HE2  TYR  25           2HE      TYR  25  15.132  -7.613  -0.542
  159    HH   TYR  25           HH       TYR  25  15.692  -8.809   2.582
  160    H    THR  26           H        THR  26   7.647  -5.964   1.013
  161    HA   THR  26           HA       THR  26   7.468  -7.862   3.239
  162    HB   THR  26           HB       THR  26   6.736  -5.952   4.740
  163    HG1  THR  26           1HG      THR  26   8.248  -4.187   3.207
  164   HG21  THR  26          3HG2      THR  26   8.919  -7.022   5.004
  165   HG22  THR  26          1HG2      THR  26   9.027  -5.291   5.325
  166   HG23  THR  26          2HG2      THR  26   9.606  -5.941   3.790
  167    H    LYS  27           H        LYS  27   6.045  -6.578   0.599
  168    HA   LYS  27           HA       LYS  27   3.960  -6.430  -0.275
  169    HB2  LYS  27           2HB      LYS  27   3.420  -8.413   1.937
  170    HB3  LYS  27           1HB      LYS  27   2.186  -7.940   0.779
  171    HG2  LYS  27           2HG      LYS  27   3.595  -8.757  -1.050
  172    HG3  LYS  27           1HG      LYS  27   4.820  -9.246   0.122
  173    HD2  LYS  27           2HD      LYS  27   3.221 -10.784   1.155
  174    HD3  LYS  27           1HD      LYS  27   1.991 -10.291  -0.012
  175    HE2  LYS  27           2HE      LYS  27   3.396 -11.125  -1.837
  176    HE3  LYS  27           1HE      LYS  27   4.618 -11.623  -0.667
  177    HZ1  LYS  27           3HZ      LYS  27   3.227 -13.478  -1.346
  178    HZ2  LYS  27           1HZ      LYS  27   1.841 -12.668  -0.811
  179    HZ3  LYS  27           2HZ      LYS  27   3.019 -13.152   0.301
  180    H    THR  28           H        THR  28   4.592  -4.264   1.151
  181    HA   THR  28           HA       THR  28   2.053  -3.506   2.452
  182    HB   THR  28           HB       THR  28   3.436  -1.918   3.883
  183    HG1  THR  28           1HG      THR  28   5.650  -2.942   4.193
  184   HG21  THR  28          3HG2      THR  28   2.398  -3.927   4.809
  185   HG22  THR  28          1HG2      THR  28   3.974  -3.641   5.549
  186   HG23  THR  28          2HG2      THR  28   3.791  -4.888   4.315
  187    H    CYS  29           H        CYS  29   1.625  -1.179   2.456
  188    HA   CYS  29           HA       CYS  29   2.252  -0.013  -0.125
  189    HB2  CYS  29           2HB      CYS  29   0.098   0.158   1.777
  190    HB3  CYS  29           1HB      CYS  29   0.680   1.773   1.392
  191    H    LYS  30           H        LYS  30   3.747   1.479  -0.479
  192    HA   LYS  30           HA       LYS  30   4.681   3.163   1.747
  193    HB2  LYS  30           2HB      LYS  30   6.398   1.602  -0.185
  194    HB3  LYS  30           1HB      LYS  30   7.018   2.932   0.782
  195    HG2  LYS  30           2HG      LYS  30   6.158   1.606   2.801
  196    HG3  LYS  30           1HG      LYS  30   6.036   0.249   1.680
  197    HD2  LYS  30           2HD      LYS  30   8.411   0.478   1.142
  198    HD3  LYS  30           1HD      LYS  30   8.535   1.840   2.257
  199    HE2  LYS  30           2HE      LYS  30   7.904   0.374   4.113
  200    HE3  LYS  30           1HE      LYS  30   7.780  -0.985   2.997
  201    HZ1  LYS  30           3HZ      LYS  30   9.892  -0.990   4.164
  202    HZ2  LYS  30           1HZ      LYS  30  10.252   0.555   3.576
  203    HZ3  LYS  30           2HZ      LYS  30  10.135  -0.751   2.507
  204    H    ASP  31           H        ASP  31   5.807   5.123   1.052
  205    HA   ASP  31           HA       ASP  31   4.562   6.269  -1.315
  206    HB2  ASP  31           2HB      ASP  31   6.180   7.469   0.937
  207    HB3  ASP  31           1HB      ASP  31   5.635   8.402  -0.453
  208    H    LYS  32           H        LYS  32   5.641   7.108  -3.072
  209    HA   LYS  32           HA       LYS  32   8.326   6.049  -3.523
  210    HB2  LYS  32           2HB      LYS  32   6.206   5.946  -5.123
  211    HB3  LYS  32           1HB      LYS  32   6.811   7.512  -5.639
  212    HG2  LYS  32           2HG      LYS  32   8.960   6.501  -6.210
  213    HG3  LYS  32           1HG      LYS  32   8.360   4.927  -5.683
  214    HD2  LYS  32           2HD      LYS  32   6.616   5.022  -7.401
  215    HD3  LYS  32           1HD      LYS  32   7.222   6.594  -7.928
  216    HE2  LYS  32           2HE      LYS  32   9.370   5.569  -8.503
  217    HE3  LYS  32           1HE      LYS  32   8.760   4.000  -7.979
  218    HZ1  LYS  32           3HZ      LYS  32   7.660   5.624 -10.210
  219    HZ2  LYS  32           1HZ      LYS  32   7.076   4.117  -9.708
  220    HZ3  LYS  32           2HZ      LYS  32   8.625   4.245 -10.376
  221    H    SER  33           H        SER  33   6.586   9.146  -3.585
  222    HA   SER  33           HA       SER  33   9.115  10.587  -3.939
  223    HB2  SER  33           2HB      SER  33   7.625  12.582  -4.280
  224    HB3  SER  33           1HB      SER  33   7.389  11.295  -5.462
  225    HG   SER  33           HG       SER  33   5.610  12.374  -3.775
  226    H    SER  34           H        SER  34   9.897  12.038  -2.467
  227    HA   SER  34           HA       SER  34   8.482  12.251   0.107
  228    HB2  SER  34           2HB      SER  34  11.457  11.841  -0.288
  229    HB3  SER  34           1HB      SER  34  10.665  12.128   1.262
  230    HG   SER  34           HG       SER  34  11.076   9.873   0.717
  231    H    ALA  35           H        ALA  35  10.908  13.675  -2.056
  232    HA   ALA  35           HA       ALA  35  11.594  15.788  -2.489
  233    HB1  ALA  35           1HB      ALA  35  10.017  17.620  -2.299
  234    HB2  ALA  35           2HB      ALA  35   8.988  16.659  -1.238
  235    HB3  ALA  35           3HB      ALA  35   9.206  16.183  -2.923
  Start of MODEL   13
    1    H1   GLY   1           1HT      GLY   1 -10.494   2.163  -5.405
    2    H2   GLY   1           2HT      GLY   1 -11.109   3.605  -6.039
    3    H3   GLY   1           3HT      GLY   1 -11.672   2.119  -6.618
    4    HA2  GLY   1           1HA      GLY   1 -13.296   3.106  -5.140
    5    HA3  GLY   1           2HA      GLY   1 -12.657   1.608  -4.481
    6    H    TRP   2           H        TRP   2 -11.388   1.641  -2.648
    7    HA   TRP   2           HA       TRP   2 -11.543   4.107  -1.080
    8    HB2  TRP   2           2HB      TRP   2 -11.015   1.236  -0.304
    9    HB3  TRP   2           1HB      TRP   2 -10.889   2.577   0.830
   10    HD1  TRP   2           HD       TRP   2 -13.136   3.652   1.718
   11    HE1  TRP   2           1HE      TRP   2 -15.594   2.904   1.622
   12    HE3  TRP   2           3HE      TRP   2 -12.745  -0.009  -1.844
   13    HZ2  TRP   2           2HZ      TRP   2 -17.162   1.020   0.230
   14    HZ3  TRP   2           3HZ      TRP   2 -14.777  -1.234  -2.497
   15    HH2  TRP   2           HH       TRP   2 -16.938  -0.730  -1.479
   16    H    CYS   3           H        CYS   3  -9.768   4.994  -0.006
   17    HA   CYS   3           HA       CYS   3  -7.182   4.406  -1.260
   18    HB2  CYS   3           2HB      CYS   3  -8.329   6.764  -1.156
   19    HB3  CYS   3           1HB      CYS   3  -7.678   6.797   0.477
   20    H    GLY   4           H        GLY   4  -5.580   3.488  -0.158
   21    HA2  GLY   4           2HA      GLY   4  -5.962   2.935   2.697
   22    HA3  GLY   4           1HA      GLY   4  -4.855   2.101   1.622
   23    H    ASP   5           H        ASP   5  -4.589   3.522   4.280
   24    HA   ASP   5           HA       ASP   5  -2.836   5.756   3.785
   25    HB2  ASP   5           2HB      ASP   5  -3.664   4.268   6.278
   26    HB3  ASP   5           1HB      ASP   5  -2.489   5.578   6.312
   27    HA   HYP   6           HA       HYP   6   1.154   3.737   3.554
   28    HB2  HYP   6           2HB      HYP   6   2.176   5.389   5.805
   29    HB3  HYP   6           1HB      HYP   6   2.775   5.257   4.140
   30    HG   HYP   6           2HG      HYP   6   1.503   7.449   4.943
   31   HD22  HYP   6          1HD       HYP   6  -0.916   6.820   3.903
   32   HD23  HYP   6          2HD       HYP   6  -0.561   6.632   5.632
   33    HD1  HYP   6           1HG      HYP   6   0.845   7.696   2.763
   34    H    GLY   7           H        GLY   7   1.688   1.802   4.259
   35    HA2  GLY   7           2HA      GLY   7   2.644   0.437   6.045
   36    HA3  GLY   7           1HA      GLY   7   1.515   1.208   7.149
   37    H    ALA   8           H        ALA   8   0.135   0.520   4.131
   38    HA   ALA   8           HA       ALA   8  -1.488  -1.609   5.266
   39    HB1  ALA   8           1HB      ALA   8  -1.711  -0.229   2.590
   40    HB2  ALA   8           2HB      ALA   8  -2.562   0.250   4.060
   41    HB3  ALA   8           3HB      ALA   8  -2.902  -1.311   3.312
   42    H    THR   9           H        THR   9  -1.836  -3.632   4.210
   43    HA   THR   9           HA       THR   9   0.586  -4.763   3.108
   44    HB   THR   9           HB       THR   9  -1.925  -6.373   3.259
   45    HG1  THR   9           1HG      THR   9  -2.099  -5.361   5.217
   46   HG21  THR   9          3HG2      THR   9   0.938  -6.907   4.075
   47   HG22  THR   9          1HG2      THR   9   0.177  -7.424   2.570
   48   HG23  THR   9          2HG2      THR   9  -0.378  -8.081   4.110
   49    H    CYS  10           H        CYS  10   1.014  -5.255   1.058
   50    HA   CYS  10           HA       CYS  10  -1.079  -4.812  -0.968
   51    HB2  CYS  10           2HB      CYS  10   1.935  -4.684  -1.211
   52    HB3  CYS  10           1HB      CYS  10   0.817  -4.491  -2.556
   53    H    GLY  11           H        GLY  11  -1.281  -6.259  -2.720
   54    HA2  GLY  11           2HA      GLY  11   0.059  -8.395  -3.555
   55    HA3  GLY  11           1HA      GLY  11  -0.580  -9.008  -2.038
   56    H    LYS  12           H        LYS  12  -3.067  -8.252  -1.849
   57    HA   LYS  12           HA       LYS  12  -4.374  -9.493  -4.157
   58    HB2  LYS  12           2HB      LYS  12  -5.270  -8.994  -1.317
   59    HB3  LYS  12           1HB      LYS  12  -6.373  -9.549  -2.567
   60    HG2  LYS  12           2HG      LYS  12  -3.857 -11.074  -2.075
   61    HG3  LYS  12           1HG      LYS  12  -5.209 -11.250  -0.955
   62    HD2  LYS  12           2HD      LYS  12  -6.667 -11.886  -2.824
   63    HD3  LYS  12           1HD      LYS  12  -5.310 -11.714  -3.938
   64    HE2  LYS  12           2HE      LYS  12  -4.108 -13.481  -2.745
   65    HE3  LYS  12           1HE      LYS  12  -5.464 -13.650  -1.629
   66    HZ1  LYS  12           3HZ      LYS  12  -5.563 -14.144  -4.557
   67    HZ2  LYS  12           1HZ      LYS  12  -6.863 -14.308  -3.486
   68    HZ3  LYS  12           2HZ      LYS  12  -5.526 -15.334  -3.356
   69    H    LEU  13           H        LEU  13  -6.293  -8.605  -5.078
   70    HA   LEU  13           HA       LEU  13  -6.265  -5.688  -5.125
   71    HB2  LEU  13           2HB      LEU  13  -6.250  -7.267  -7.194
   72    HB3  LEU  13           1HB      LEU  13  -7.968  -7.424  -6.892
   73    HG   LEU  13           HG       LEU  13  -6.855  -4.668  -7.122
   74   HD11  LEU  13          1HD1      LEU  13  -5.775  -5.814  -8.969
   75   HD12  LEU  13          2HD1      LEU  13  -7.048  -4.749  -9.563
   76   HD13  LEU  13          3HD1      LEU  13  -7.322  -6.490  -9.477
   77   HD21  LEU  13          3HD2      LEU  13  -9.402  -5.982  -8.073
   78   HD22  LEU  13          1HD2      LEU  13  -9.019  -4.264  -8.189
   79   HD23  LEU  13          2HD2      LEU  13  -9.218  -5.017  -6.608
   80    H    ARG  14           H        ARG  14  -7.315  -5.039  -3.314
   81    HA   ARG  14           HA       ARG  14 -10.212  -5.434  -3.255
   82    HB2  ARG  14           2HB      ARG  14  -8.357  -5.997  -0.940
   83    HB3  ARG  14           1HB      ARG  14 -10.062  -5.638  -0.709
   84    HG2  ARG  14           2HG      ARG  14 -10.659  -7.579  -2.070
   85    HG3  ARG  14           1HG      ARG  14  -8.946  -7.939  -2.301
   86    HD2  ARG  14           2HD      ARG  14  -8.684  -8.232   0.114
   87    HD3  ARG  14           1HD      ARG  14 -10.394  -7.867   0.345
   88    HE   ARG  14           HE       ARG  14 -10.183  -9.997  -1.458
   89   HH11  ARG  14          1HH1      ARG  14  -9.587  -9.377   1.947
   90   HH12  ARG  14          2HH1      ARG  14  -9.874 -11.020   2.414
   91   HH21  ARG  14          1HH2      ARG  14 -10.553 -12.141  -0.824
   92   HH22  ARG  14          2HH2      ARG  14 -10.420 -12.583   0.846
   93    H    LEU  15           H        LEU  15  -7.396  -3.721  -1.964
   94    HA   LEU  15           HA       LEU  15  -9.030  -1.276  -1.764
   95    HB2  LEU  15           2HB      LEU  15  -8.078  -2.515   0.404
   96    HB3  LEU  15           1HB      LEU  15  -6.639  -1.611  -0.019
   97    HG   LEU  15           HG       LEU  15  -9.283  -0.212   0.295
   98   HD11  LEU  15          1HD1      LEU  15  -8.905  -1.530   2.334
   99   HD12  LEU  15          2HD1      LEU  15  -8.759   0.203   2.625
  100   HD13  LEU  15          3HD1      LEU  15  -7.310  -0.793   2.498
  101   HD21  LEU  15          3HD2      LEU  15  -6.416   0.667   0.643
  102   HD22  LEU  15          1HD2      LEU  15  -7.836   1.682   0.892
  103   HD23  LEU  15          2HD2      LEU  15  -7.469   1.058  -0.717
  104    H    TYR  16           H        TYR  16  -8.091   0.626  -2.459
  105    HA   TYR  16           HA       TYR  16  -5.724   0.327  -4.151
  106    HB2  TYR  16           2HB      TYR  16  -7.996   1.418  -4.855
  107    HB3  TYR  16           1HB      TYR  16  -7.388   2.824  -3.989
  108    HD1  TYR  16           1HD      TYR  16  -5.489   4.087  -4.846
  109    HD2  TYR  16           2HD      TYR  16  -6.977   0.695  -6.938
  110    HE1  TYR  16           1HE      TYR  16  -4.218   4.765  -6.839
  111    HE2  TYR  16           2HE      TYR  16  -5.709   1.363  -8.936
  112    HH   TYR  16           HH       TYR  16  -3.287   3.736  -8.869
  113    H    CYS  17           H        CYS  17  -3.812   1.276  -3.730
  114    HA   CYS  17           HA       CYS  17  -3.371   2.438  -1.134
  115    HB2  CYS  17           2HB      CYS  17  -1.743   1.282  -3.257
  116    HB3  CYS  17           1HB      CYS  17  -0.999   2.703  -2.532
  117    H    CYS  18           H        CYS  18  -2.872   4.487  -0.595
  118    HA   CYS  18           HA       CYS  18  -3.712   6.611  -2.293
  119    HB2  CYS  18           2HB      CYS  18  -2.339   6.588   0.394
  120    HB3  CYS  18           1HB      CYS  18  -2.858   8.063  -0.412
  121    H    SER  19           H        SER  19  -0.584   5.222  -1.552
  122    HA   SER  19           HA       SER  19   0.865   7.434  -2.782
  123    HB2  SER  19           2HB      SER  19   1.698   6.305  -0.697
  124    HB3  SER  19           1HB      SER  19   1.983   4.857  -1.660
  125    HG   SER  19           HG       SER  19   3.480   7.108  -1.446
  126    H    GLY  20           H        GLY  20  -0.166   4.175  -3.526
  127    HA2  GLY  20           2HA      GLY  20  -0.394   3.286  -5.684
  128    HA3  GLY  20           1HA      GLY  20   0.661   4.547  -6.296
  129    H    PHE  21           H        PHE  21   2.709   3.924  -4.197
  130    HA   PHE  21           HA       PHE  21   4.002   1.760  -5.651
  131    HB2  PHE  21           2HB      PHE  21   5.386   3.673  -5.378
  132    HB3  PHE  21           1HB      PHE  21   4.996   3.813  -3.673
  133    HD1  PHE  21           2HD      PHE  21   6.442   1.151  -5.905
  134    HD2  PHE  21           1HD      PHE  21   6.753   3.367  -2.279
  135    HE1  PHE  21           2HE      PHE  21   8.484  -0.093  -5.318
  136    HE2  PHE  21           1HE      PHE  21   8.795   2.127  -1.699
  137    HZ   PHE  21           HZ       PHE  21   9.659   0.401  -3.211
  138    H    CYS  22           H        CYS  22   3.969  -0.242  -5.005
  139    HA   CYS  22           HA       CYS  22   3.534  -0.859  -2.164
  140    HB2  CYS  22           2HB      CYS  22   2.596  -2.193  -4.671
  141    HB3  CYS  22           1HB      CYS  22   2.845  -3.167  -3.226
  142    H    ASP  23           H        ASP  23   5.176  -1.720  -1.116
  143    HA   ASP  23           HA       ASP  23   7.491  -2.704  -2.578
  144    HB2  ASP  23           2HB      ASP  23   7.105  -1.341  -0.123
  145    HB3  ASP  23           1HB      ASP  23   7.811  -2.907   0.268
  146    H    SER  24           H        SER  24   7.798  -4.760  -2.997
  147    HA   SER  24           HA       SER  24   6.142  -6.809  -1.792
  148    HB2  SER  24           2HB      SER  24   7.267  -8.302  -3.466
  149    HB3  SER  24           1HB      SER  24   6.436  -6.919  -4.177
  150    HG   SER  24           HG       SER  24   8.352  -5.967  -4.600
  151    H    TYR  25           H        TYR  25   9.139  -5.460  -1.075
  152    HA   TYR  25           HA       TYR  25  10.513  -7.812  -0.161
  153    HB2  TYR  25           2HB      TYR  25  11.450  -5.452  -0.861
  154    HB3  TYR  25           1HB      TYR  25  11.175  -5.064   0.833
  155    HD1  TYR  25           2HD      TYR  25  12.509  -6.104   2.581
  156    HD2  TYR  25           1HD      TYR  25  13.169  -7.042  -1.515
  157    HE1  TYR  25           2HE      TYR  25  14.663  -7.134   3.171
  158    HE2  TYR  25           1HE      TYR  25  15.325  -8.075  -0.938
  159    HH   TYR  25           HH       TYR  25  16.219  -8.803   2.251
  160    H    THR  26           H        THR  26   8.107  -5.746   1.126
  161    HA   THR  26           HA       THR  26   8.243  -7.126   3.714
  162    HB   THR  26           HB       THR  26   7.504  -4.961   4.812
  163    HG1  THR  26           1HG      THR  26   7.908  -3.055   3.685
  164   HG21  THR  26          3HG2      THR  26   9.783  -4.061   4.987
  165   HG22  THR  26          1HG2      THR  26  10.267  -5.026   3.591
  166   HG23  THR  26          2HG2      THR  26   9.774  -5.822   5.087
  167    H    LYS  27           H        LYS  27   6.492  -6.501   1.013
  168    HA   LYS  27           HA       LYS  27   4.330  -6.672   0.350
  169    HB2  LYS  27           2HB      LYS  27   4.157  -8.185   2.958
  170    HB3  LYS  27           1HB      LYS  27   2.792  -8.043   1.861
  171    HG2  LYS  27           2HG      LYS  27   4.091  -9.136   0.102
  172    HG3  LYS  27           1HG      LYS  27   5.462  -9.275   1.203
  173    HD2  LYS  27           2HD      LYS  27   4.116 -10.667   2.702
  174    HD3  LYS  27           1HD      LYS  27   2.743 -10.525   1.600
  175    HE2  LYS  27           2HE      LYS  27   4.040 -11.632  -0.155
  176    HE3  LYS  27           1HE      LYS  27   5.412 -11.769   0.943
  177    HZ1  LYS  27           3HZ      LYS  27   2.752 -13.032   1.333
  178    HZ2  LYS  27           1HZ      LYS  27   4.068 -13.164   2.389
  179    HZ3  LYS  27           2HZ      LYS  27   4.159 -13.828   0.836
  180    H    THR  28           H        THR  28   5.014  -4.233   1.477
  181    HA   THR  28           HA       THR  28   2.410  -3.326   2.492
  182    HB   THR  28           HB       THR  28   3.647  -1.716   4.032
  183    HG1  THR  28           1HG      THR  28   5.745  -1.970   4.316
  184   HG21  THR  28          3HG2      THR  28   3.844  -3.358   5.847
  185   HG22  THR  28          1HG2      THR  28   3.782  -4.667   4.667
  186   HG23  THR  28          2HG2      THR  28   2.381  -3.619   4.895
  187    H    CYS  29           H        CYS  29   2.090  -0.981   2.280
  188    HA   CYS  29           HA       CYS  29   3.183  -0.036  -0.228
  189    HB2  CYS  29           2HB      CYS  29   0.741   0.317   1.157
  190    HB3  CYS  29           1HB      CYS  29   1.478   1.907   0.992
  191    H    LYS  30           H        LYS  30   4.561   1.580  -0.553
  192    HA   LYS  30           HA       LYS  30   5.447   3.195   1.745
  193    HB2  LYS  30           2HB      LYS  30   7.200   1.713  -0.219
  194    HB3  LYS  30           1HB      LYS  30   7.801   2.990   0.827
  195    HG2  LYS  30           2HG      LYS  30   6.926   1.581   2.764
  196    HG3  LYS  30           1HG      LYS  30   6.769   0.279   1.581
  197    HD2  LYS  30           2HD      LYS  30   9.147   0.465   1.052
  198    HD3  LYS  30           1HD      LYS  30   9.309   1.775   2.224
  199    HE2  LYS  30           2HE      LYS  30   8.640   0.250   4.017
  200    HE3  LYS  30           1HE      LYS  30   8.478  -1.058   2.845
  201    HZ1  LYS  30           3HZ      LYS  30  10.839  -0.864   2.360
  202    HZ2  LYS  30           1HZ      LYS  30  10.590  -1.170   4.006
  203    HZ3  LYS  30           2HZ      LYS  30  10.992   0.389   3.486
  204    H    ASP  31           H        ASP  31   6.697   5.142   1.073
  205    HA   ASP  31           HA       ASP  31   5.423   6.404  -1.219
  206    HB2  ASP  31           2HB      ASP  31   7.158   7.475   1.010
  207    HB3  ASP  31           1HB      ASP  31   6.609   8.468  -0.336
  208    H    LYS  32           H        LYS  32   6.363   6.746  -3.123
  209    HA   LYS  32           HA       LYS  32   9.144   5.929  -3.497
  210    HB2  LYS  32           2HB      LYS  32   7.014   5.291  -4.951
  211    HB3  LYS  32           1HB      LYS  32   7.407   6.797  -5.767
  212    HG2  LYS  32           2HG      LYS  32   9.651   5.954  -6.249
  213    HG3  LYS  32           1HG      LYS  32   9.256   4.443  -5.428
  214    HD2  LYS  32           2HD      LYS  32   7.472   4.028  -7.055
  215    HD3  LYS  32           1HD      LYS  32   7.867   5.540  -7.873
  216    HE2  LYS  32           2HE      LYS  32   8.913   3.838  -9.127
  217    HE3  LYS  32           1HE      LYS  32  10.197   4.603  -8.192
  218    HZ1  LYS  32           3HZ      LYS  32   8.831   2.057  -7.497
  219    HZ2  LYS  32           1HZ      LYS  32  10.064   2.790  -6.598
  220    HZ3  LYS  32           2HZ      LYS  32  10.386   2.197  -8.149
  221    H    SER  33           H        SER  33  10.743   7.247  -4.278
  222    HA   SER  33           HA       SER  33  10.111  10.102  -4.629
  223    HB2  SER  33           2HB      SER  33  12.496   8.944  -3.163
  224    HB3  SER  33           1HB      SER  33  12.235  10.658  -3.492
  225    HG   SER  33           HG       SER  33  11.262   9.157  -1.492
  226    H    SER  34           H        SER  34  10.988  11.072  -6.355
  227    HA   SER  34           HA       SER  34  13.074   9.646  -7.869
  228    HB2  SER  34           2HB      SER  34  10.663  11.075  -9.017
  229    HB3  SER  34           1HB      SER  34  11.976  10.371  -9.961
  230    HG   SER  34           HG       SER  34  10.608   8.769  -8.111
  231    H    ALA  35           H        ALA  35  14.650  10.876  -8.806
  232    HA   ALA  35           HA       ALA  35  14.539  13.785  -8.352
  233    HB1  ALA  35           1HB      ALA  35  16.914  13.771  -7.804
  234    HB2  ALA  35           2HB      ALA  35  16.963  12.020  -8.009
  235    HB3  ALA  35           3HB      ALA  35  16.012  12.728  -6.704
  Start of MODEL   14
    1    H1   GLY   1           1HT      GLY   1 -15.341   4.770  -4.645
    2    H2   GLY   1           2HT      GLY   1 -15.669   3.366  -3.761
    3    H3   GLY   1           3HT      GLY   1 -15.696   3.325  -5.452
    4    HA2  GLY   1           1HA      GLY   1 -13.673   2.313  -4.630
    5    HA3  GLY   1           2HA      GLY   1 -13.331   3.774  -5.544
    6    H    TRP   2           H        TRP   2 -12.981   2.152  -2.583
    7    HA   TRP   2           HA       TRP   2 -12.147   4.553  -1.131
    8    HB2  TRP   2           2HB      TRP   2 -12.541   1.691  -0.233
    9    HB3  TRP   2           1HB      TRP   2 -11.923   2.965   0.812
   10    HD1  TRP   2           HD       TRP   2 -15.133   1.689  -0.780
   11    HE1  TRP   2           1HE      TRP   2 -17.138   2.925   0.254
   12    HE3  TRP   2           3HE      TRP   2 -12.613   5.249   1.908
   13    HZ2  TRP   2           2HZ      TRP   2 -17.596   5.110   1.974
   14    HZ3  TRP   2           3HZ      TRP   2 -13.916   6.872   3.219
   15    HH2  TRP   2           HH       TRP   2 -16.356   6.803   3.250
   16    H    CYS   3           H        CYS   3 -10.100   4.663  -0.073
   17    HA   CYS   3           HA       CYS   3  -8.004   2.973  -1.267
   18    HB2  CYS   3           2HB      CYS   3  -7.961   5.189  -2.311
   19    HB3  CYS   3           1HB      CYS   3  -7.863   5.949  -0.727
   20    H    GLY   4           H        GLY   4  -6.080   2.705   0.007
   21    HA2  GLY   4           2HA      GLY   4  -6.668   2.621   2.869
   22    HA3  GLY   4           1HA      GLY   4  -5.367   1.777   2.051
   23    H    ASP   5           H        ASP   5  -4.791   2.980   4.367
   24    HA   ASP   5           HA       ASP   5  -3.661   5.619   3.845
   25    HB2  ASP   5           2HB      ASP   5  -3.972   3.942   6.335
   26    HB3  ASP   5           1HB      ASP   5  -3.021   5.422   6.321
   27    HA   HYP   6           HA       HYP   6   0.586   4.393   3.120
   28    HB2  HYP   6           2HB      HYP   6   1.485   6.032   5.438
   29    HB3  HYP   6           1HB      HYP   6   1.991   6.108   3.738
   30    HG   HYP   6           2HG      HYP   6   0.427   7.998   4.751
   31   HD22  HYP   6          1HD       HYP   6  -1.923   7.010   3.824
   32   HD23  HYP   6          2HD       HYP   6  -1.419   6.817   5.515
   33    HD1  HYP   6           1HG      HYP   6   0.342   6.701   2.231
   34    H    GLY   7           H        GLY   7   1.567   2.554   3.605
   35    HA2  GLY   7           2HA      GLY   7   2.813   1.117   5.047
   36    HA3  GLY   7           1HA      GLY   7   1.926   1.770   6.416
   37    H    ALA   8           H        ALA   8  -0.043   1.101   3.743
   38    HA   ALA   8           HA       ALA   8  -1.328  -1.105   5.114
   39    HB1  ALA   8           1HB      ALA   8  -2.674   0.698   4.146
   40    HB2  ALA   8           2HB      ALA   8  -3.073  -0.862   3.429
   41    HB3  ALA   8           3HB      ALA   8  -2.071   0.285   2.540
   42    H    THR   9           H        THR   9  -1.825  -3.120   4.136
   43    HA   THR   9           HA       THR   9   0.350  -4.269   2.648
   44    HB   THR   9           HB       THR   9  -2.212  -5.750   3.163
   45    HG1  THR   9           1HG      THR   9  -2.030  -5.384   5.232
   46   HG21  THR   9          3HG2      THR   9  -0.672  -7.610   3.613
   47   HG22  THR   9          1HG2      THR   9   0.702  -6.534   3.363
   48   HG23  THR   9          2HG2      THR   9  -0.378  -6.911   2.022
   49    H    CYS  10           H        CYS  10   0.509  -4.498   0.516
   50    HA   CYS  10           HA       CYS  10  -1.788  -3.843  -1.180
   51    HB2  CYS  10           2HB      CYS  10   1.127  -4.163  -1.927
   52    HB3  CYS  10           1HB      CYS  10  -0.152  -3.561  -2.975
   53    H    GLY  11           H        GLY  11  -2.364  -5.120  -2.994
   54    HA2  GLY  11           2HA      GLY  11  -1.256  -7.576  -3.727
   55    HA3  GLY  11           1HA      GLY  11  -2.475  -7.903  -2.507
   56    H    LYS  12           H        LYS  12  -3.735  -9.055  -4.002
   57    HA   LYS  12           HA       LYS  12  -4.912  -7.511  -6.206
   58    HB2  LYS  12           2HB      LYS  12  -4.754 -10.466  -5.645
   59    HB3  LYS  12           1HB      LYS  12  -5.852  -9.813  -6.852
   60    HG2  LYS  12           2HG      LYS  12  -3.946  -8.836  -8.045
   61    HG3  LYS  12           1HG      LYS  12  -2.853  -9.522  -6.840
   62    HD2  LYS  12           2HD      LYS  12  -3.591 -11.773  -7.446
   63    HD3  LYS  12           1HD      LYS  12  -4.702 -11.093  -8.636
   64    HE2  LYS  12           2HE      LYS  12  -2.806 -11.783  -9.854
   65    HE3  LYS  12           1HE      LYS  12  -2.679 -10.031  -9.722
   66    HZ1  LYS  12           3HZ      LYS  12  -1.238 -12.001  -8.027
   67    HZ2  LYS  12           1HZ      LYS  12  -1.114 -10.318  -7.902
   68    HZ3  LYS  12           2HZ      LYS  12  -0.560 -11.106  -9.292
   69    H    LEU  13           H        LEU  13  -5.835  -9.522  -3.423
   70    HA   LEU  13           HA       LEU  13  -8.632  -8.717  -3.693
   71    HB2  LEU  13           2HB      LEU  13  -7.246 -10.687  -1.875
   72    HB3  LEU  13           1HB      LEU  13  -8.950 -10.301  -1.748
   73    HG   LEU  13           HG       LEU  13  -8.943 -11.008  -4.307
   74   HD11  LEU  13          1HD1      LEU  13  -6.538 -11.378  -4.445
   75   HD12  LEU  13          2HD1      LEU  13  -7.422 -12.882  -4.702
   76   HD13  LEU  13          3HD1      LEU  13  -6.638 -12.574  -3.153
   77   HD21  LEU  13          3HD2      LEU  13  -9.578 -13.269  -3.599
   78   HD22  LEU  13          1HD2      LEU  13 -10.300 -12.029  -2.573
   79   HD23  LEU  13          2HD2      LEU  13  -8.909 -12.948  -1.998
   80    H    ARG  14           H        ARG  14  -5.977  -7.363  -2.391
   81    HA   ARG  14           HA       ARG  14  -7.159  -6.446   0.114
   82    HB2  ARG  14           2HB      ARG  14  -4.428  -6.174  -1.130
   83    HB3  ARG  14           1HB      ARG  14  -4.890  -5.245   0.290
   84    HG2  ARG  14           2HG      ARG  14  -5.096  -7.164   1.620
   85    HG3  ARG  14           1HG      ARG  14  -5.124  -8.235   0.218
   86    HD2  ARG  14           2HD      ARG  14  -2.796  -7.713  -0.249
   87    HD3  ARG  14           1HD      ARG  14  -2.759  -6.587   1.106
   88    HE   ARG  14           HE       ARG  14  -3.410  -8.762   2.403
   89   HH11  ARG  14          1HH1      ARG  14  -1.087  -8.513  -0.220
   90   HH12  ARG  14          2HH1      ARG  14  -0.131  -9.840   0.348
   91   HH21  ARG  14          1HH2      ARG  14  -2.140 -10.496   3.128
   92   HH22  ARG  14          2HH2      ARG  14  -0.727 -10.961   2.241
   93    H    LEU  15           H        LEU  15  -6.711  -4.002   0.590
   94    HA   LEU  15           HA       LEU  15  -8.288  -2.473  -1.234
   95    HB2  LEU  15           2HB      LEU  15  -7.617  -2.319   1.451
   96    HB3  LEU  15           1HB      LEU  15  -6.804  -0.933   0.754
   97    HG   LEU  15           HG       LEU  15  -9.724  -1.415   0.222
   98   HD11  LEU  15          1HD1      LEU  15 -10.250   0.008   2.140
   99   HD12  LEU  15          2HD1      LEU  15  -8.547   0.010   2.603
  100   HD13  LEU  15          3HD1      LEU  15  -9.469  -1.494   2.638
  101   HD21  LEU  15          3HD2      LEU  15  -7.933   1.011   0.228
  102   HD22  LEU  15          1HD2      LEU  15  -9.690   1.095   0.112
  103   HD23  LEU  15          2HD2      LEU  15  -8.763   0.283  -1.147
  104    H    TYR  16           H        TYR  16  -7.674  -0.414  -2.191
  105    HA   TYR  16           HA       TYR  16  -5.216  -0.582  -3.653
  106    HB2  TYR  16           2HB      TYR  16  -7.423   1.477  -3.586
  107    HB3  TYR  16           1HB      TYR  16  -6.007   1.627  -4.621
  108    HD1  TYR  16           2HD      TYR  16  -5.708   0.166  -6.543
  109    HD2  TYR  16           1HD      TYR  16  -9.133  -0.187  -4.043
  110    HE1  TYR  16           2HE      TYR  16  -6.814  -1.203  -8.261
  111    HE2  TYR  16           1HE      TYR  16 -10.248  -1.557  -5.753
  112    HH   TYR  16           HH       TYR  16 -10.127  -1.933  -8.178
  113    H    CYS  17           H        CYS  17  -3.567   1.005  -3.767
  114    HA   CYS  17           HA       CYS  17  -2.981   2.232  -1.176
  115    HB2  CYS  17           2HB      CYS  17  -1.416   0.928  -3.226
  116    HB3  CYS  17           1HB      CYS  17  -0.753   2.514  -2.847
  117    H    CYS  18           H        CYS  18  -2.644   4.358  -0.873
  118    HA   CYS  18           HA       CYS  18  -3.550   6.187  -2.935
  119    HB2  CYS  18           2HB      CYS  18  -2.986   6.396  -0.005
  120    HB3  CYS  18           1HB      CYS  18  -3.056   7.863  -0.973
  121    H    SER  19           H        SER  19  -0.540   5.079  -1.690
  122    HA   SER  19           HA       SER  19   0.973   7.429  -2.474
  123    HB2  SER  19           2HB      SER  19   1.908   4.735  -1.460
  124    HB3  SER  19           1HB      SER  19   2.932   6.152  -1.695
  125    HG   SER  19           HG       SER  19   0.721   6.664  -0.174
  126    H    GLY  20           H        GLY  20   0.176   4.290  -3.790
  127    HA2  GLY  20           2HA      GLY  20   0.260   3.778  -6.092
  128    HA3  GLY  20           1HA      GLY  20   1.452   5.048  -6.310
  129    H    PHE  21           H        PHE  21   3.266   4.235  -4.262
  130    HA   PHE  21           HA       PHE  21   4.501   1.983  -5.638
  131    HB2  PHE  21           2HB      PHE  21   5.963   3.850  -5.373
  132    HB3  PHE  21           1HB      PHE  21   5.560   4.019  -3.672
  133    HD1  PHE  21           1HD      PHE  21   6.996   1.404  -5.957
  134    HD2  PHE  21           2HD      PHE  21   7.160   3.353  -2.172
  135    HE1  PHE  21           1HE      PHE  21   8.951   0.041  -5.338
  136    HE2  PHE  21           2HE      PHE  21   9.117   1.997  -1.559
  137    HZ   PHE  21           HZ       PHE  21  10.013   0.343  -3.138
  138    H    CYS  22           H        CYS  22   4.222   0.020  -4.960
  139    HA   CYS  22           HA       CYS  22   3.843  -0.513  -2.091
  140    HB2  CYS  22           2HB      CYS  22   2.761  -1.938  -4.520
  141    HB3  CYS  22           1HB      CYS  22   2.785  -2.689  -2.930
  142    H    ASP  23           H        ASP  23   5.499  -1.465  -1.133
  143    HA   ASP  23           HA       ASP  23   7.658  -2.616  -2.671
  144    HB2  ASP  23           2HB      ASP  23   7.389  -1.421  -0.113
  145    HB3  ASP  23           1HB      ASP  23   7.973  -3.062   0.146
  146    H    SER  24           H        SER  24   7.984  -4.689  -3.086
  147    HA   SER  24           HA       SER  24   6.071  -6.672  -2.206
  148    HB2  SER  24           2HB      SER  24   8.438  -6.890  -4.076
  149    HB3  SER  24           1HB      SER  24   7.243  -8.158  -3.800
  150    HG   SER  24           HG       SER  24   5.971  -5.889  -4.388
  151    H    TYR  25           H        TYR  25   9.016  -5.557  -1.014
  152    HA   TYR  25           HA       TYR  25  10.149  -8.007  -0.064
  153    HB2  TYR  25           2HB      TYR  25  11.237  -5.637  -0.406
  154    HB3  TYR  25           1HB      TYR  25  10.691  -5.364   1.244
  155    HD1  TYR  25           1HD      TYR  25  13.010  -7.232  -0.890
  156    HD2  TYR  25           2HD      TYR  25  11.695  -6.567   3.103
  157    HE1  TYR  25           1HE      TYR  25  15.019  -8.370  -0.044
  158    HE2  TYR  25           2HE      TYR  25  13.701  -7.703   3.959
  159    HH   TYR  25           HH       TYR  25  16.378  -8.427   2.009
  160    H    THR  26           H        THR  26   7.667  -5.896   1.038
  161    HA   THR  26           HA       THR  26   7.251  -7.555   3.418
  162    HB   THR  26           HB       THR  26   6.593  -5.465   4.694
  163    HG1  THR  26           1HG      THR  26   7.737  -4.322   2.386
  164   HG21  THR  26          3HG2      THR  26   9.494  -5.736   3.894
  165   HG22  THR  26          1HG2      THR  26   8.680  -6.649   5.165
  166   HG23  THR  26          2HG2      THR  26   8.897  -4.907   5.331
  167    H    LYS  27           H        LYS  27   6.052  -6.358   0.606
  168    HA   LYS  27           HA       LYS  27   4.026  -6.118  -0.383
  169    HB2  LYS  27           2HB      LYS  27   3.259  -7.976   1.873
  170    HB3  LYS  27           1HB      LYS  27   2.122  -7.493   0.622
  171    HG2  LYS  27           2HG      LYS  27   3.574  -8.470  -1.082
  172    HG3  LYS  27           1HG      LYS  27   4.723  -8.945   0.171
  173    HD2  LYS  27           2HD      LYS  27   3.012 -10.363   1.199
  174    HD3  LYS  27           1HD      LYS  27   1.864  -9.887  -0.053
  175    HE2  LYS  27           2HE      LYS  27   3.321 -10.872  -1.757
  176    HE3  LYS  27           1HE      LYS  27   4.465 -11.349  -0.502
  177    HZ1  LYS  27           3HZ      LYS  27   2.760 -12.761   0.466
  178    HZ2  LYS  27           1HZ      LYS  27   3.040 -13.189  -1.148
  179    HZ3  LYS  27           2HZ      LYS  27   1.661 -12.303  -0.736
  180    H    THR  28           H        THR  28   4.698  -3.924   1.004
  181    HA   THR  28           HA       THR  28   2.102  -2.915   1.940
  182    HB   THR  28           HB       THR  28   3.328  -1.604   3.754
  183    HG1  THR  28           1HG      THR  28   5.221  -3.591   3.984
  184   HG21  THR  28          3HG2      THR  28   3.222  -3.452   5.367
  185   HG22  THR  28          1HG2      THR  28   3.146  -4.606   4.036
  186   HG23  THR  28          2HG2      THR  28   1.831  -3.457   4.284
  187    H    CYS  29           H        CYS  29   2.035  -0.527   2.090
  188    HA   CYS  29           HA       CYS  29   3.174   0.657  -0.263
  189    HB2  CYS  29           2HB      CYS  29   0.943   1.149   1.392
  190    HB3  CYS  29           1HB      CYS  29   1.935   2.602   1.441
  191    H    LYS  30           H        LYS  30   4.842   1.992  -0.475
  192    HA   LYS  30           HA       LYS  30   6.078   3.183   1.912
  193    HB2  LYS  30           2HB      LYS  30   7.412   1.435  -0.137
  194    HB3  LYS  30           1HB      LYS  30   8.331   2.633   0.762
  195    HG2  LYS  30           2HG      LYS  30   7.047   1.385   2.786
  196    HG3  LYS  30           1HG      LYS  30   7.216   0.058   1.637
  197    HD2  LYS  30           2HD      LYS  30   9.602   0.393   1.535
  198    HD3  LYS  30           1HD      LYS  30   9.479   1.827   2.557
  199    HE2  LYS  30           2HE      LYS  30   8.633  -0.925   3.438
  200    HE3  LYS  30           1HE      LYS  30  10.238  -0.263   3.716
  201    HZ1  LYS  30           3HZ      LYS  30   7.696   0.897   4.717
  202    HZ2  LYS  30           1HZ      LYS  30   9.238   1.544   4.975
  203    HZ3  LYS  30           2HZ      LYS  30   8.826   0.046   5.643
  204    H    ASP  31           H        ASP  31   7.615   4.933   1.382
  205    HA   ASP  31           HA       ASP  31   6.576   6.576  -0.784
  206    HB2  ASP  31           2HB      ASP  31   8.461   7.150   1.506
  207    HB3  ASP  31           1HB      ASP  31   8.094   8.330   0.252
  208    H    LYS  32           H        LYS  32   7.750   7.359  -2.499
  209    HA   LYS  32           HA       LYS  32  10.176   5.867  -3.163
  210    HB2  LYS  32           2HB      LYS  32   8.035   6.269  -4.676
  211    HB3  LYS  32           1HB      LYS  32   8.875   7.759  -5.077
  212    HG2  LYS  32           2HG      LYS  32  10.812   6.464  -5.826
  213    HG3  LYS  32           1HG      LYS  32   9.963   4.970  -5.428
  214    HD2  LYS  32           2HD      LYS  32   8.219   5.530  -7.054
  215    HD3  LYS  32           1HD      LYS  32   9.072   7.024  -7.453
  216    HE2  LYS  32           2HE      LYS  32  10.993   5.722  -8.222
  217    HE3  LYS  32           1HE      LYS  32  10.150   4.228  -7.812
  218    HZ1  LYS  32           3HZ      LYS  32   8.454   4.783  -9.442
  219    HZ2  LYS  32           1HZ      LYS  32   9.981   4.716 -10.167
  220    HZ3  LYS  32           2HZ      LYS  32   9.266   6.212  -9.836
  221    H    SER  33           H        SER  33   9.022   9.209  -2.862
  222    HA   SER  33           HA       SER  33  11.753  10.215  -3.223
  223    HB2  SER  33           2HB      SER  33   9.116  11.700  -3.095
  224    HB3  SER  33           1HB      SER  33  10.690  12.442  -3.383
  225    HG   SER  33           HG       SER  33  10.642  10.640  -5.160
  226    H    SER  34           H        SER  34  12.880  11.208  -1.636
  227    HA   SER  34           HA       SER  34  11.755  11.086   1.071
  228    HB2  SER  34           2HB      SER  34  14.632  11.347   0.161
  229    HB3  SER  34           1HB      SER  34  14.099  11.217   1.838
  230    HG   SER  34           HG       SER  34  14.651   9.180   1.178
  231    H    ALA  35           H        ALA  35  11.799  12.828   2.465
  232    HA   ALA  35           HA       ALA  35  12.478  15.443   1.288
  233    HB1  ALA  35           1HB      ALA  35  10.546  16.424   2.402
  234    HB2  ALA  35           2HB      ALA  35  10.102  14.844   3.049
  235    HB3  ALA  35           3HB      ALA  35  10.048  15.131   1.310
  Start of MODEL   15
    1    H1   GLY   1           1HT      GLY   1 -12.795   5.237  -4.693
    2    H2   GLY   1           2HT      GLY   1 -13.852   6.466  -4.206
    3    H3   GLY   1           3HT      GLY   1 -14.429   5.172  -5.130
    4    HA2  GLY   1           1HA      GLY   1 -15.081   4.905  -2.828
    5    HA3  GLY   1           2HA      GLY   1 -13.983   3.630  -3.334
    6    H    TRP   2           H        TRP   2 -12.989   3.114  -1.474
    7    HA   TRP   2           HA       TRP   2 -11.878   5.227   0.221
    8    HB2  TRP   2           2HB      TRP   2 -12.166   2.246   0.656
    9    HB3  TRP   2           1HB      TRP   2 -11.393   3.337   1.800
   10    HD1  TRP   2           HD       TRP   2 -14.839   2.468   0.360
   11    HE1  TRP   2           1HE      TRP   2 -16.649   3.388   1.939
   12    HE3  TRP   2           3HE      TRP   2 -11.860   5.121   3.574
   13    HZ2  TRP   2           2HZ      TRP   2 -16.800   5.017   4.235
   14    HZ3  TRP   2           3HZ      TRP   2 -12.923   6.330   5.434
   15    HH2  TRP   2           HH       TRP   2 -15.343   6.279   5.756
   16    H    CYS   3           H        CYS   3  -9.708   5.422   0.689
   17    HA   CYS   3           HA       CYS   3  -7.882   3.914  -1.064
   18    HB2  CYS   3           2HB      CYS   3  -8.064   6.386  -1.492
   19    HB3  CYS   3           1HB      CYS   3  -7.399   6.657   0.115
   20    H    GLY   4           H        GLY   4  -5.931   3.160  -0.242
   21    HA2  GLY   4           2HA      GLY   4  -5.954   2.625   2.626
   22    HA3  GLY   4           1HA      GLY   4  -4.934   1.847   1.429
   23    H    ASP   5           H        ASP   5  -4.544   3.339   4.089
   24    HA   ASP   5           HA       ASP   5  -2.793   5.536   3.380
   25    HB2  ASP   5           2HB      ASP   5  -3.657   4.289   5.984
   26    HB3  ASP   5           1HB      ASP   5  -2.395   5.514   5.926
   27    HA   HYP   6           HA       HYP   6   1.153   3.454   3.160
   28    HB2  HYP   6           2HB      HYP   6   2.651   4.992   4.975
   29    HB3  HYP   6           1HB      HYP   6   2.444   5.333   3.246
   30    HG   HYP   6           2HG      HYP   6   1.051   6.534   5.587
   31   HD22  HYP   6          1HD       HYP   6  -0.316   6.441   2.911
   32   HD23  HYP   6          2HD       HYP   6  -1.024   6.607   4.531
   33    HD1  HYP   6           1HG      HYP   6   1.773   8.225   4.518
   34    H    GLY   7           H        GLY   7   1.755   1.607   4.027
   35    HA2  GLY   7           2HA      GLY   7   2.761   0.421   5.910
   36    HA3  GLY   7           1HA      GLY   7   1.632   1.266   6.960
   37    H    ALA   8           H        ALA   8   0.158   0.356   4.079
   38    HA   ALA   8           HA       ALA   8  -1.293  -1.807   5.402
   39    HB1  ALA   8           1HB      ALA   8  -1.860  -0.419   2.781
   40    HB2  ALA   8           2HB      ALA   8  -2.570   0.009   4.337
   41    HB3  ALA   8           3HB      ALA   8  -2.919  -1.560   3.609
   42    H    THR   9           H        THR   9  -1.668  -3.838   4.361
   43    HA   THR   9           HA       THR   9   0.661  -4.905   3.063
   44    HB   THR   9           HB       THR   9  -1.854  -6.510   3.205
   45    HG1  THR   9           1HG      THR   9  -1.889  -6.565   5.356
   46   HG21  THR   9          3HG2      THR   9   0.224  -7.531   2.404
   47   HG22  THR   9          1HG2      THR   9  -0.292  -8.264   3.923
   48   HG23  THR   9          2HG2      THR   9   1.027  -7.094   3.912
   49    H    CYS  10           H        CYS  10   1.062  -4.952   0.971
   50    HA   CYS  10           HA       CYS  10  -1.145  -4.596  -0.940
   51    HB2  CYS  10           2HB      CYS  10   0.667  -2.890  -0.967
   52    HB3  CYS  10           1HB      CYS  10   1.819  -4.156  -1.372
   53    H    GLY  11           H        GLY  11  -1.677  -6.177  -2.296
   54    HA2  GLY  11           2HA      GLY  11  -0.059  -7.973  -3.613
   55    HA3  GLY  11           1HA      GLY  11  -0.451  -8.754  -2.090
   56    H    LYS  12           H        LYS  12  -3.046  -8.008  -1.684
   57    HA   LYS  12           HA       LYS  12  -4.427  -9.522  -3.768
   58    HB2  LYS  12           2HB      LYS  12  -5.196  -8.698  -0.969
   59    HB3  LYS  12           1HB      LYS  12  -6.342  -9.428  -2.082
   60    HG2  LYS  12           2HG      LYS  12  -4.954 -11.426  -2.222
   61    HG3  LYS  12           1HG      LYS  12  -3.777 -10.691  -1.131
   62    HD2  LYS  12           2HD      LYS  12  -5.482 -10.577   0.625
   63    HD3  LYS  12           1HD      LYS  12  -6.653 -11.319  -0.467
   64    HE2  LYS  12           2HE      LYS  12  -5.263 -13.325  -0.599
   65    HE3  LYS  12           1HE      LYS  12  -4.082 -12.582   0.478
   66    HZ1  LYS  12           3HZ      LYS  12  -6.897 -13.228   1.173
   67    HZ2  LYS  12           1HZ      LYS  12  -5.772 -12.502   2.209
   68    HZ3  LYS  12           2HZ      LYS  12  -5.530 -14.089   1.677
   69    H    LEU  13           H        LEU  13  -6.406  -8.804  -4.703
   70    HA   LEU  13           HA       LEU  13  -6.485  -5.912  -5.085
   71    HB2  LEU  13           2HB      LEU  13  -6.475  -7.707  -6.965
   72    HB3  LEU  13           1HB      LEU  13  -8.173  -7.898  -6.581
   73    HG   LEU  13           HG       LEU  13  -7.189  -5.144  -7.162
   74   HD11  LEU  13          1HD1      LEU  13  -7.670  -7.236  -9.278
   75   HD12  LEU  13          2HD1      LEU  13  -6.133  -6.451  -8.915
   76   HD13  LEU  13          3HD1      LEU  13  -7.473  -5.509  -9.569
   77   HD21  LEU  13          3HD2      LEU  13  -9.714  -6.650  -7.847
   78   HD22  LEU  13          1HD2      LEU  13  -9.407  -4.944  -8.176
   79   HD23  LEU  13          2HD2      LEU  13  -9.513  -5.516  -6.511
   80    H    ARG  14           H        ARG  14  -7.491  -5.114  -3.299
   81    HA   ARG  14           HA       ARG  14 -10.372  -5.552  -3.121
   82    HB2  ARG  14           2HB      ARG  14  -8.454  -5.934  -0.826
   83    HB3  ARG  14           1HB      ARG  14 -10.145  -5.536  -0.562
   84    HG2  ARG  14           2HG      ARG  14 -10.787  -7.573  -1.795
   85    HG3  ARG  14           1HG      ARG  14  -9.078  -7.980  -1.964
   86    HD2  ARG  14           2HD      ARG  14  -8.850  -8.078   0.460
   87    HD3  ARG  14           1HD      ARG  14 -10.544  -7.628   0.648
   88    HE   ARG  14           HE       ARG  14 -10.217  -9.973  -0.951
   89   HH11  ARG  14          1HH1      ARG  14 -10.343  -8.866   2.381
   90   HH12  ARG  14          2HH1      ARG  14 -10.852 -10.404   2.992
   91   HH21  ARG  14          1HH2      ARG  14 -10.886 -11.976  -0.128
   92   HH22  ARG  14          2HH2      ARG  14 -11.159 -12.163   1.573
   93    H    LEU  15           H        LEU  15  -7.558  -3.716  -1.984
   94    HA   LEU  15           HA       LEU  15  -9.187  -1.265  -2.058
   95    HB2  LEU  15           2HB      LEU  15  -8.259  -2.388   0.264
   96    HB3  LEU  15           1HB      LEU  15  -6.966  -1.275  -0.130
   97    HG   LEU  15           HG       LEU  15  -9.836  -0.366  -0.001
   98   HD11  LEU  15          1HD1      LEU  15  -7.842  -0.377   2.259
   99   HD12  LEU  15          2HD1      LEU  15  -9.252  -1.432   2.137
  100   HD13  LEU  15          3HD1      LEU  15  -9.466   0.313   2.292
  101   HD21  LEU  15          3HD2      LEU  15  -8.358   1.189  -1.084
  102   HD22  LEU  15          1HD2      LEU  15  -7.178   1.044   0.217
  103   HD23  LEU  15          2HD2      LEU  15  -8.738   1.807   0.522
  104    H    TYR  16           H        TYR  16  -8.108   0.623  -2.692
  105    HA   TYR  16           HA       TYR  16  -5.716   0.164  -4.299
  106    HB2  TYR  16           2HB      TYR  16  -7.891   1.411  -5.047
  107    HB3  TYR  16           1HB      TYR  16  -7.195   2.774  -4.179
  108    HD1  TYR  16           1HD      TYR  16  -5.187   3.882  -5.006
  109    HD2  TYR  16           2HD      TYR  16  -6.902   0.606  -7.111
  110    HE1  TYR  16           1HE      TYR  16  -3.836   4.451  -6.979
  111    HE2  TYR  16           2HE      TYR  16  -5.555   1.166  -9.091
  112    HH   TYR  16           HH       TYR  16  -4.407   3.118 -10.046
  113    H    CYS  17           H        CYS  17  -3.877   1.529  -4.191
  114    HA   CYS  17           HA       CYS  17  -3.312   2.499  -1.492
  115    HB2  CYS  17           2HB      CYS  17  -1.697   1.420  -3.718
  116    HB3  CYS  17           1HB      CYS  17  -0.938   2.702  -2.780
  117    H    CYS  18           H        CYS  18  -2.764   4.555  -0.999
  118    HA   CYS  18           HA       CYS  18  -3.571   6.641  -2.783
  119    HB2  CYS  18           2HB      CYS  18  -2.204   6.837  -0.095
  120    HB3  CYS  18           1HB      CYS  18  -3.004   8.152  -0.945
  121    H    SER  19           H        SER  19  -0.496   5.243  -1.879
  122    HA   SER  19           HA       SER  19   1.017   7.418  -3.105
  123    HB2  SER  19           2HB      SER  19   3.011   6.105  -2.327
  124    HB3  SER  19           1HB      SER  19   1.920   6.598  -1.033
  125    HG   SER  19           HG       SER  19   2.731   4.286  -1.182
  126    H    GLY  20           H        GLY  20   0.029   4.129  -3.778
  127    HA2  GLY  20           2HA      GLY  20  -0.072   3.115  -5.878
  128    HA3  GLY  20           1HA      GLY  20   0.928   4.402  -6.526
  129    H    PHE  21           H        PHE  21   2.853   3.825  -4.180
  130    HA   PHE  21           HA       PHE  21   4.394   1.818  -5.619
  131    HB2  PHE  21           2HB      PHE  21   5.630   3.787  -5.103
  132    HB3  PHE  21           1HB      PHE  21   5.087   3.787  -3.435
  133    HD1  PHE  21           2HD      PHE  21   6.854   1.334  -5.676
  134    HD2  PHE  21           1HD      PHE  21   6.760   3.374  -1.937
  135    HE1  PHE  21           2HE      PHE  21   8.907   0.165  -4.984
  136    HE2  PHE  21           1HE      PHE  21   8.813   2.211  -1.251
  137    HZ   PHE  21           HZ       PHE  21   9.885   0.608  -2.768
  138    H    CYS  22           H        CYS  22   4.473  -0.216  -5.067
  139    HA   CYS  22           HA       CYS  22   3.763  -1.014  -2.326
  140    HB2  CYS  22           2HB      CYS  22   3.285  -2.369  -4.970
  141    HB3  CYS  22           1HB      CYS  22   3.251  -3.271  -3.459
  142    H    ASP  23           H        ASP  23   5.348  -1.807  -1.147
  143    HA   ASP  23           HA       ASP  23   7.855  -2.601  -2.398
  144    HB2  ASP  23           2HB      ASP  23   7.147  -1.344   0.044
  145    HB3  ASP  23           1HB      ASP  23   7.906  -2.879   0.458
  146    H    SER  24           H        SER  24   8.373  -4.625  -2.787
  147    HA   SER  24           HA       SER  24   6.706  -6.800  -1.840
  148    HB2  SER  24           2HB      SER  24   8.111  -8.177  -3.397
  149    HB3  SER  24           1HB      SER  24   7.289  -6.824  -4.173
  150    HG   SER  24           HG       SER  24   9.871  -6.410  -3.190
  151    H    TYR  25           H        TYR  25   9.460  -5.286  -0.686
  152    HA   TYR  25           HA       TYR  25  10.910  -7.559   0.300
  153    HB2  TYR  25           2HB      TYR  25  11.715  -5.098  -0.146
  154    HB3  TYR  25           1HB      TYR  25  11.161  -4.823   1.500
  155    HD1  TYR  25           1HD      TYR  25  12.315  -5.839   3.387
  156    HD2  TYR  25           2HD      TYR  25  13.659  -6.484  -0.597
  157    HE1  TYR  25           1HE      TYR  25  14.447  -6.705   4.254
  158    HE2  TYR  25           2HE      TYR  25  15.795  -7.353   0.257
  159    HH   TYR  25           HH       TYR  25  17.170  -7.186   2.289
  160    H    THR  26           H        THR  26   8.196  -5.743   1.372
  161    HA   THR  26           HA       THR  26   8.058  -7.329   3.834
  162    HB   THR  26           HB       THR  26   7.129  -5.290   5.025
  163    HG1  THR  26           1HG      THR  26   6.779  -3.875   3.345
  164   HG21  THR  26          3HG2      THR  26  10.026  -5.195   4.167
  165   HG22  THR  26          1HG2      THR  26   9.370  -6.140   5.506
  166   HG23  THR  26          2HG2      THR  26   9.343  -4.378   5.575
  167    H    LYS  27           H        LYS  27   6.651  -6.500   1.000
  168    HA   LYS  27           HA       LYS  27   4.596  -6.632   0.052
  169    HB2  LYS  27           2HB      LYS  27   4.135  -8.377   2.472
  170    HB3  LYS  27           1HB      LYS  27   2.908  -8.149   1.233
  171    HG2  LYS  27           2HG      LYS  27   4.450  -9.049  -0.448
  172    HG3  LYS  27           1HG      LYS  27   5.660  -9.299   0.812
  173    HD2  LYS  27           2HD      LYS  27   4.146 -10.835   1.965
  174    HD3  LYS  27           1HD      LYS  27   2.926 -10.575   0.716
  175    HE2  LYS  27           2HE      LYS  27   4.454 -11.498  -0.961
  176    HE3  LYS  27           1HE      LYS  27   5.669 -11.760   0.291
  177    HZ1  LYS  27           3HZ      LYS  27   4.152 -13.289   1.389
  178    HZ2  LYS  27           1HZ      LYS  27   4.453 -13.786  -0.201
  179    HZ3  LYS  27           2HZ      LYS  27   2.987 -13.036   0.188
  180    H    THR  28           H        THR  28   5.004  -4.266   1.251
  181    HA   THR  28           HA       THR  28   2.309  -3.514   2.144
  182    HB   THR  28           HB       THR  28   3.378  -1.891   3.794
  183    HG1  THR  28           1HG      THR  28   5.576  -2.522   2.826
  184   HG21  THR  28          3HG2      THR  28   3.604  -4.851   4.354
  185   HG22  THR  28          1HG2      THR  28   2.155  -3.864   4.542
  186   HG23  THR  28          2HG2      THR  28   3.557  -3.579   5.574
  187    H    CYS  29           H        CYS  29   1.880  -1.187   1.962
  188    HA   CYS  29           HA       CYS  29   3.099  -0.110  -0.436
  189    HB2  CYS  29           2HB      CYS  29   0.539   0.056   0.765
  190    HB3  CYS  29           1HB      CYS  29   1.189   1.691   0.692
  191    H    LYS  30           H        LYS  30   4.488   1.505  -0.573
  192    HA   LYS  30           HA       LYS  30   5.052   3.134   1.817
  193    HB2  LYS  30           2HB      LYS  30   7.026   1.710   0.039
  194    HB3  LYS  30           1HB      LYS  30   7.492   3.045   1.082
  195    HG2  LYS  30           2HG      LYS  30   6.314   1.558   2.921
  196    HG3  LYS  30           1HG      LYS  30   6.704   0.269   1.780
  197    HD2  LYS  30           2HD      LYS  30   9.042   0.867   1.841
  198    HD3  LYS  30           1HD      LYS  30   8.693   2.260   2.867
  199    HE2  LYS  30           2HE      LYS  30   9.450   0.653   4.367
  200    HE3  LYS  30           1HE      LYS  30   7.698   0.553   4.504
  201    HZ1  LYS  30           3HZ      LYS  30   9.410  -1.262   2.892
  202    HZ2  LYS  30           1HZ      LYS  30   7.726  -1.357   3.024
  203    HZ3  LYS  30           2HZ      LYS  30   8.698  -1.639   4.379
  204    H    ASP  31           H        ASP  31   6.238   5.152   1.322
  205    HA   ASP  31           HA       ASP  31   5.204   6.385  -1.104
  206    HB2  ASP  31           2HB      ASP  31   6.562   7.513   1.349
  207    HB3  ASP  31           1HB      ASP  31   6.141   8.497  -0.049
  208    H    LYS  32           H        LYS  32   6.368   6.694  -2.883
  209    HA   LYS  32           HA       LYS  32   9.226   6.122  -2.828
  210    HB2  LYS  32           2HB      LYS  32   9.020   6.195  -5.349
  211    HB3  LYS  32           1HB      LYS  32   8.132   4.916  -4.541
  212    HG2  LYS  32           2HG      LYS  32   6.056   6.077  -4.850
  213    HG3  LYS  32           1HG      LYS  32   6.893   7.501  -5.472
  214    HD2  LYS  32           2HD      LYS  32   7.649   6.249  -7.404
  215    HD3  LYS  32           1HD      LYS  32   6.921   4.773  -6.764
  216    HE2  LYS  32           2HE      LYS  32   4.712   5.810  -6.897
  217    HE3  LYS  32           1HE      LYS  32   5.439   7.282  -7.535
  218    HZ1  LYS  32           3HZ      LYS  32   4.521   5.913  -9.300
  219    HZ2  LYS  32           1HZ      LYS  32   5.508   4.617  -8.843
  220    HZ3  LYS  32           2HZ      LYS  32   6.201   6.031  -9.457
  221    H    SER  33           H        SER  33   7.042   8.717  -3.875
  222    HA   SER  33           HA       SER  33   9.338  10.512  -4.222
  223    HB2  SER  33           2HB      SER  33   6.445  10.854  -5.055
  224    HB3  SER  33           1HB      SER  33   7.742  12.006  -5.376
  225    HG   SER  33           HG       SER  33   8.410  10.798  -6.963
  226    H    SER  34           H        SER  34   9.656  12.270  -2.976
  227    HA   SER  34           HA       SER  34   7.900  12.600  -0.648
  228    HB2  SER  34           2HB      SER  34  10.741  13.545  -1.103
  229    HB3  SER  34           1HB      SER  34   9.814  13.780   0.379
  230    HG   SER  34           HG       SER  34   9.654  11.438   0.454
  231    H    ALA  35           H        ALA  35   7.057  14.575  -0.066
  232    HA   ALA  35           HA       ALA  35   7.341  16.767  -2.015
  233    HB1  ALA  35           1HB      ALA  35   4.978  17.292  -1.740
  234    HB2  ALA  35           2HB      ALA  35   4.795  15.940  -0.622
  235    HB3  ALA  35           3HB      ALA  35   5.187  15.637  -2.315
  Start of MODEL   16
    1    H1   GLY   1           1HT      GLY   1 -14.847   2.573  -3.030
    2    H2   GLY   1           2HT      GLY   1 -15.137   2.817  -4.679
    3    H3   GLY   1           3HT      GLY   1 -15.115   4.136  -3.621
    4    HA2  GLY   1           1HA      GLY   1 -12.794   2.413  -4.295
    5    HA3  GLY   1           2HA      GLY   1 -13.072   4.036  -4.907
    6    H    TRP   2           H        TRP   2 -11.706   2.164  -2.445
    7    HA   TRP   2           HA       TRP   2 -11.468   4.401  -0.572
    8    HB2  TRP   2           2HB      TRP   2 -10.697   1.483  -0.326
    9    HB3  TRP   2           1HB      TRP   2 -10.383   2.688   0.916
   10    HD1  TRP   2           HD       TRP   2 -13.183   0.608  -0.597
   11    HE1  TRP   2           1HE      TRP   2 -15.273   0.795   0.890
   12    HE3  TRP   2           3HE      TRP   2 -11.611   4.313   2.573
   13    HZ2  TRP   2           2HZ      TRP   2 -16.143   2.304   3.107
   14    HZ3  TRP   2           3HZ      TRP   2 -13.138   5.066   4.348
   15    HH2  TRP   2           HH       TRP   2 -15.357   4.082   4.607
   16    H    CYS   3           H        CYS   3  -9.440   5.106   0.222
   17    HA   CYS   3           HA       CYS   3  -7.252   4.795  -1.710
   18    HB2  CYS   3           2HB      CYS   3  -8.200   7.102  -1.054
   19    HB3  CYS   3           1HB      CYS   3  -7.370   6.863   0.479
   20    H    GLY   4           H        GLY   4  -5.495   3.674  -1.183
   21    HA2  GLY   4           2HA      GLY   4  -5.305   2.441   1.423
   22    HA3  GLY   4           1HA      GLY   4  -4.263   2.137   0.046
   23    H    ASP   5           H        ASP   5  -4.338   3.285   3.096
   24    HA   ASP   5           HA       ASP   5  -2.343   5.394   2.782
   25    HB2  ASP   5           2HB      ASP   5  -3.941   4.353   5.116
   26    HB3  ASP   5           1HB      ASP   5  -2.596   5.463   5.346
   27    HA   HYP   6           HA       HYP   6   1.303   2.958   3.616
   28    HB2  HYP   6           2HB      HYP   6   2.488   4.461   5.664
   29    HB3  HYP   6           1HB      HYP   6   2.706   4.734   3.925
   30    HG   HYP   6           2HG      HYP   6   0.931   6.154   5.850
   31   HD22  HYP   6          1HD       HYP   6   0.231   6.064   2.928
   32   HD23  HYP   6          2HD       HYP   6  -0.819   6.362   4.328
   33    HD1  HYP   6           1HG      HYP   6   2.233   7.621   4.995
   34    H    GLY   7           H        GLY   7   1.543   1.132   4.697
   35    HA2  GLY   7           2HA      GLY   7   1.964   0.011   6.826
   36    HA3  GLY   7           1HA      GLY   7   0.684   0.994   7.521
   37    H    ALA   8           H        ALA   8  -0.158   0.001   4.431
   38    HA   ALA   8           HA       ALA   8  -1.940  -2.069   5.498
   39    HB1  ALA   8           1HB      ALA   8  -2.987  -0.202   4.304
   40    HB2  ALA   8           2HB      ALA   8  -3.255  -1.734   3.472
   41    HB3  ALA   8           3HB      ALA   8  -2.050  -0.599   2.864
   42    H    THR   9           H        THR   9  -2.237  -4.061   4.372
   43    HA   THR   9           HA       THR   9   0.224  -5.136   3.287
   44    HB   THR   9           HB       THR   9  -2.271  -6.780   3.362
   45    HG1  THR   9           1HG      THR   9  -2.552  -6.066   5.370
   46   HG21  THR   9          3HG2      THR   9  -0.711  -8.499   4.165
   47   HG22  THR   9          1HG2      THR   9   0.591  -7.309   4.185
   48   HG23  THR   9          2HG2      THR   9  -0.148  -7.782   2.655
   49    H    CYS  10           H        CYS  10   0.711  -5.154   1.212
   50    HA   CYS  10           HA       CYS  10  -1.435  -4.931  -0.789
   51    HB2  CYS  10           2HB      CYS  10   0.249  -3.099  -0.742
   52    HB3  CYS  10           1HB      CYS  10   1.508  -4.278  -1.086
   53    H    GLY  11           H        GLY  11  -1.947  -6.754  -1.783
   54    HA2  GLY  11           2HA      GLY  11  -0.582  -8.336  -3.414
   55    HA3  GLY  11           1HA      GLY  11  -0.051  -8.974  -1.866
   56    H    LYS  12           H        LYS  12  -2.310  -8.965  -0.359
   57    HA   LYS  12           HA       LYS  12  -3.883 -11.062  -1.635
   58    HB2  LYS  12           2HB      LYS  12  -3.612 -10.122   1.213
   59    HB3  LYS  12           1HB      LYS  12  -4.877 -11.241   0.730
   60    HG2  LYS  12           2HG      LYS  12  -3.266 -12.695   1.461
   61    HG3  LYS  12           1HG      LYS  12  -2.873 -12.613  -0.256
   62    HD2  LYS  12           2HD      LYS  12  -1.131 -10.970   0.207
   63    HD3  LYS  12           1HD      LYS  12  -1.546 -10.996   1.922
   64    HE2  LYS  12           2HE      LYS  12  -0.941 -13.368   2.025
   65    HE3  LYS  12           1HE      LYS  12  -0.519 -13.333   0.314
   66    HZ1  LYS  12           3HZ      LYS  12   1.442 -13.124   1.694
   67    HZ2  LYS  12           1HZ      LYS  12   0.799 -11.759   2.461
   68    HZ3  LYS  12           2HZ      LYS  12   1.197 -11.698   0.818
   69    H    LEU  13           H        LEU  13  -4.362  -7.883  -0.144
   70    HA   LEU  13           HA       LEU  13  -7.206  -7.920  -0.802
   71    HB2  LEU  13           2HB      LEU  13  -5.501  -5.933   0.698
   72    HB3  LEU  13           1HB      LEU  13  -7.200  -5.682   0.355
   73    HG   LEU  13           HG       LEU  13  -7.444  -8.016   1.589
   74   HD11  LEU  13          1HD1      LEU  13  -4.921  -6.877   2.786
   75   HD12  LEU  13          2HD1      LEU  13  -5.052  -8.385   1.880
   76   HD13  LEU  13          3HD1      LEU  13  -5.860  -8.219   3.438
   77   HD21  LEU  13          3HD2      LEU  13  -7.837  -6.785   3.674
   78   HD22  LEU  13          1HD2      LEU  13  -8.516  -5.951   2.277
   79   HD23  LEU  13          2HD2      LEU  13  -7.008  -5.384   2.994
   80    H    ARG  14           H        ARG  14  -8.202  -6.413  -2.159
   81    HA   ARG  14           HA       ARG  14  -6.444  -5.340  -4.232
   82    HB2  ARG  14           2HB      ARG  14  -9.400  -5.922  -4.152
   83    HB3  ARG  14           1HB      ARG  14  -8.675  -4.988  -5.452
   84    HG2  ARG  14           2HG      ARG  14  -7.213  -6.887  -5.985
   85    HG3  ARG  14           1HG      ARG  14  -7.985  -7.823  -4.703
   86    HD2  ARG  14           2HD      ARG  14 -10.133  -7.628  -5.847
   87    HD3  ARG  14           1HD      ARG  14  -9.376  -6.670  -7.118
   88    HE   ARG  14           HE       ARG  14  -8.062  -9.162  -6.835
   89   HH11  ARG  14          1HH1      ARG  14 -11.016  -7.781  -8.140
   90   HH12  ARG  14          2HH1      ARG  14 -11.211  -9.030  -9.324
   91   HH21  ARG  14          2HH2      ARG  14  -8.339 -10.786  -8.392
   92   HH22  ARG  14          1HH2      ARG  14  -9.698 -10.729  -9.465
   93    H    LEU  15           H        LEU  15  -5.657  -3.553  -3.104
   94    HA   LEU  15           HA       LEU  15  -7.413  -1.228  -3.192
   95    HB2  LEU  15           2HB      LEU  15  -7.517  -2.045  -0.852
   96    HB3  LEU  15           1HB      LEU  15  -5.776  -1.937  -0.742
   97    HG   LEU  15           HG       LEU  15  -5.943   0.536  -1.008
   98   HD11  LEU  15          1HD1      LEU  15  -8.910   0.031  -0.849
   99   HD12  LEU  15          2HD1      LEU  15  -8.028   0.750  -2.197
  100   HD13  LEU  15          3HD1      LEU  15  -8.138   1.606  -0.660
  101   HD21  LEU  15          3HD2      LEU  15  -7.070   0.914   1.238
  102   HD22  LEU  15          1HD2      LEU  15  -5.718  -0.219   1.200
  103   HD23  LEU  15          2HD2      LEU  15  -7.374  -0.823   1.250
  104    H    TYR  16           H        TYR  16  -6.392   0.622  -3.782
  105    HA   TYR  16           HA       TYR  16  -3.618   0.358  -4.659
  106    HB2  TYR  16           2HB      TYR  16  -5.782   2.364  -5.305
  107    HB3  TYR  16           1HB      TYR  16  -4.121   2.536  -5.859
  108    HD1  TYR  16           2HD      TYR  16  -7.240   0.655  -6.236
  109    HD2  TYR  16           1HD      TYR  16  -3.223   1.067  -7.578
  110    HE1  TYR  16           2HE      TYR  16  -7.752  -0.755  -8.184
  111    HE2  TYR  16           1HE      TYR  16  -3.725  -0.341  -9.531
  112    HH   TYR  16           HH       TYR  16  -6.889  -1.147 -10.452
  113    H    CYS  17           H        CYS  17  -2.092   2.081  -4.327
  114    HA   CYS  17           HA       CYS  17  -2.159   3.110  -1.626
  115    HB2  CYS  17           2HB      CYS  17  -0.147   2.313  -3.437
  116    HB3  CYS  17           1HB      CYS  17   0.115   4.023  -3.121
  117    H    CYS  18           H        CYS  18  -2.292   5.191  -0.980
  118    HA   CYS  18           HA       CYS  18  -3.631   7.095  -2.542
  119    HB2  CYS  18           2HB      CYS  18  -2.107   7.308   0.046
  120    HB3  CYS  18           1HB      CYS  18  -2.924   8.691  -0.675
  121    H    SER  19           H        SER  19  -0.205   6.567  -2.006
  122    HA   SER  19           HA       SER  19   0.512   8.994  -3.479
  123    HB2  SER  19           2HB      SER  19   2.857   8.374  -2.819
  124    HB3  SER  19           1HB      SER  19   1.777   8.660  -1.455
  125    HG   SER  19           HG       SER  19   2.234   6.719  -0.829
  126    H    GLY  20           H        GLY  20   0.432   5.526  -3.794
  127    HA2  GLY  20           2HA      GLY  20   0.296   4.475  -5.929
  128    HA3  GLY  20           1HA      GLY  20   1.254   5.782  -6.601
  129    H    PHE  21           H        PHE  21   1.855   3.702  -3.759
  130    HA   PHE  21           HA       PHE  21   4.081   2.429  -5.156
  131    HB2  PHE  21           2HB      PHE  21   5.118   4.378  -4.089
  132    HB3  PHE  21           1HB      PHE  21   4.430   3.925  -2.538
  133    HD1  PHE  21           2HD      PHE  21   5.219   1.794  -1.444
  134    HD2  PHE  21           1HD      PHE  21   7.195   3.507  -4.800
  135    HE1  PHE  21           2HE      PHE  21   7.227   0.471  -0.930
  136    HE2  PHE  21           1HE      PHE  21   9.211   2.189  -4.283
  137    HZ   PHE  21           HZ       PHE  21   9.214   0.671  -2.335
  138    H    CYS  22           H        CYS  22   3.722   0.356  -4.972
  139    HA   CYS  22           HA       CYS  22   2.801  -0.744  -2.399
  140    HB2  CYS  22           2HB      CYS  22   1.881  -1.201  -5.114
  141    HB3  CYS  22           1HB      CYS  22   2.400  -2.706  -4.364
  142    H    ASP  23           H        ASP  23   4.469  -1.583  -1.327
  143    HA   ASP  23           HA       ASP  23   6.867  -2.490  -2.637
  144    HB2  ASP  23           2HB      ASP  23   6.153  -1.643  -0.030
  145    HB3  ASP  23           1HB      ASP  23   6.778  -3.282   0.123
  146    H    SER  24           H        SER  24   7.189  -4.428  -3.448
  147    HA   SER  24           HA       SER  24   5.336  -6.594  -2.959
  148    HB2  SER  24           2HB      SER  24   6.659  -7.755  -4.743
  149    HB3  SER  24           1HB      SER  24   5.970  -6.210  -5.239
  150    HG   SER  24           HG       SER  24   8.639  -6.906  -4.758
  151    H    TYR  25           H        TYR  25   8.735  -5.901  -2.236
  152    HA   TYR  25           HA       TYR  25   9.435  -8.526  -1.398
  153    HB2  TYR  25           2HB      TYR  25  10.911  -6.398  -0.025
  154    HB3  TYR  25           1HB      TYR  25  11.509  -7.702  -1.037
  155    HD1  TYR  25           1HD      TYR  25  11.379  -7.383  -3.580
  156    HD2  TYR  25           2HD      TYR  25  10.850  -4.208  -0.801
  157    HE1  TYR  25           1HE      TYR  25  11.863  -5.758  -5.354
  158    HE2  TYR  25           2HE      TYR  25  11.331  -2.574  -2.562
  159    HH   TYR  25           HH       TYR  25  11.417  -3.388  -5.857
  160    H    THR  26           H        THR  26   8.143  -5.724   0.284
  161    HA   THR  26           HA       THR  26   8.096  -7.178   2.827
  162    HB   THR  26           HB       THR  26   7.421  -5.023   3.843
  163    HG1  THR  26           1HG      THR  26   7.999  -3.700   1.429
  164   HG21  THR  26          3HG2      THR  26   9.867  -4.706   2.096
  165   HG22  THR  26          1HG2      THR  26   9.826  -5.622   3.605
  166   HG23  THR  26          2HG2      THR  26   9.538  -3.882   3.621
  167    H    LYS  27           H        LYS  27   6.113  -6.560   0.177
  168    HA   LYS  27           HA       LYS  27   3.917  -6.811  -0.330
  169    HB2  LYS  27           2HB      LYS  27   4.068  -8.595   2.103
  170    HB3  LYS  27           1HB      LYS  27   2.619  -8.459   1.119
  171    HG2  LYS  27           2HG      LYS  27   3.847  -9.265  -0.825
  172    HG3  LYS  27           1HG      LYS  27   5.321  -9.369   0.141
  173    HD2  LYS  27           2HD      LYS  27   4.255 -11.024   1.591
  174    HD3  LYS  27           1HD      LYS  27   2.775 -10.911   0.637
  175    HE2  LYS  27           2HE      LYS  27   3.991 -11.710  -1.333
  176    HE3  LYS  27           1HE      LYS  27   5.466 -11.825  -0.374
  177    HZ1  LYS  27           3HZ      LYS  27   4.385 -13.476   1.022
  178    HZ2  LYS  27           1HZ      LYS  27   4.385 -13.972  -0.596
  179    HZ3  LYS  27           2HZ      LYS  27   2.970 -13.364   0.103
  180    H    THR  28           H        THR  28   4.442  -4.436   0.888
  181    HA   THR  28           HA       THR  28   1.891  -3.838   2.193
  182    HB   THR  28           HB       THR  28   3.130  -2.315   3.837
  183    HG1  THR  28           1HG      THR  28   5.257  -3.967   2.935
  184   HG21  THR  28          3HG2      THR  28   3.507  -4.149   5.455
  185   HG22  THR  28          1HG2      THR  28   3.351  -5.313   4.138
  186   HG23  THR  28          2HG2      THR  28   1.975  -4.309   4.594
  187    H    CYS  29           H        CYS  29   1.420  -1.521   2.275
  188    HA   CYS  29           HA       CYS  29   2.356  -0.168  -0.120
  189    HB2  CYS  29           2HB      CYS  29  -0.070  -0.246   1.337
  190    HB3  CYS  29           1HB      CYS  29   0.514   1.412   1.411
  191    H    LYS  30           H        LYS  30   3.694   1.545  -0.186
  192    HA   LYS  30           HA       LYS  30   4.311   2.989   2.303
  193    HB2  LYS  30           2HB      LYS  30   6.375   1.784   0.449
  194    HB3  LYS  30           1HB      LYS  30   6.752   2.948   1.700
  195    HG2  LYS  30           2HG      LYS  30   5.757   1.294   3.343
  196    HG3  LYS  30           1HG      LYS  30   5.769   0.130   2.016
  197    HD2  LYS  30           2HD      LYS  30   8.182   0.433   1.766
  198    HD3  LYS  30           1HD      LYS  30   8.175   1.604   3.088
  199    HE2  LYS  30           2HE      LYS  30   7.377  -0.134   4.617
  200    HE3  LYS  30           1HE      LYS  30   7.387  -1.301   3.295
  201    HZ1  LYS  30           3HZ      LYS  30   9.776  -1.000   3.093
  202    HZ2  LYS  30           1HZ      LYS  30   9.370  -1.491   4.661
  203    HZ3  LYS  30           2HZ      LYS  30   9.767   0.124   4.356
  204    H    ASP  31           H        ASP  31   5.861   4.920   1.725
  205    HA   ASP  31           HA       ASP  31   4.565   6.415  -0.409
  206    HB2  ASP  31           2HB      ASP  31   6.496   7.221   1.772
  207    HB3  ASP  31           1HB      ASP  31   5.925   8.333   0.533
  208    H    LYS  32           H        LYS  32   5.705   7.519  -2.062
  209    HA   LYS  32           HA       LYS  32   8.092   6.100  -2.968
  210    HB2  LYS  32           2HB      LYS  32   5.952   6.640  -4.376
  211    HB3  LYS  32           1HB      LYS  32   6.683   8.228  -4.553
  212    HG2  LYS  32           2HG      LYS  32   8.651   7.227  -5.579
  213    HG3  LYS  32           1HG      LYS  32   7.959   5.618  -5.361
  214    HD2  LYS  32           2HD      LYS  32   6.087   6.230  -6.817
  215    HD3  LYS  32           1HD      LYS  32   6.782   7.837  -7.034
  216    HE2  LYS  32           2HE      LYS  32   8.768   6.840  -8.056
  217    HE3  LYS  32           1HE      LYS  32   8.078   5.234  -7.834
  218    HZ1  LYS  32           3HZ      LYS  32   6.259   5.853  -9.300
  219    HZ2  LYS  32           1HZ      LYS  32   7.746   6.034 -10.086
  220    HZ3  LYS  32           2HZ      LYS  32   6.922   7.394  -9.513
  221    H    SER  33           H        SER  33   7.013   9.408  -2.254
  222    HA   SER  33           HA       SER  33   9.755  10.401  -2.561
  223    HB2  SER  33           2HB      SER  33   7.152  11.907  -2.194
  224    HB3  SER  33           1HB      SER  33   8.734  12.650  -2.434
  225    HG   SER  33           HG       SER  33   7.348  10.965  -4.252
  226    H    SER  34           H        SER  34  10.881  11.371  -0.914
  227    HA   SER  34           HA       SER  34   9.905  10.804   1.793
  228    HB2  SER  34           2HB      SER  34  12.125   9.889   1.057
  229    HB3  SER  34           1HB      SER  34  12.713  11.546   0.936
  230    HG   SER  34           HG       SER  34  13.168  10.455   2.966
  231    H    ALA  35           H        ALA  35  11.305  13.419  -0.158
  232    HA   ALA  35           HA       ALA  35  10.723  15.347   1.973
  233    HB1  ALA  35           1HB      ALA  35  12.125  16.902   0.727
  234    HB2  ALA  35           2HB      ALA  35  12.308  15.720  -0.567
  235    HB3  ALA  35           3HB      ALA  35  12.981  15.391   1.028
  Start of MODEL   17
    1    H1   GLY   1           1HT      GLY   1 -11.659   5.917  -5.891
    2    H2   GLY   1           2HT      GLY   1 -11.467   4.802  -7.149
    3    H3   GLY   1           3HT      GLY   1 -10.166   5.158  -6.129
    4    HA2  GLY   1           1HA      GLY   1 -12.681   3.801  -5.326
    5    HA3  GLY   1           2HA      GLY   1 -11.130   3.012  -5.574
    6    H    TRP   2           H        TRP   2 -10.817   2.262  -3.530
    7    HA   TRP   2           HA       TRP   2 -10.917   4.139  -1.285
    8    HB2  TRP   2           2HB      TRP   2 -10.586   1.132  -1.371
    9    HB3  TRP   2           1HB      TRP   2 -10.555   2.085   0.109
   10    HD1  TRP   2           HD       TRP   2 -12.953   0.861  -2.613
   11    HE1  TRP   2           1HE      TRP   2 -15.368   1.103  -1.761
   12    HE3  TRP   2           3HE      TRP   2 -12.042   3.413   1.734
   13    HZ2  TRP   2           2HZ      TRP   2 -16.710   2.222   0.451
   14    HZ3  TRP   2           3HZ      TRP   2 -13.952   4.029   3.157
   15    HH2  TRP   2           HH       TRP   2 -16.238   3.446   2.526
   16    H    CYS   3           H        CYS   3  -9.169   4.476   0.108
   17    HA   CYS   3           HA       CYS   3  -6.532   3.625  -0.881
   18    HB2  CYS   3           2HB      CYS   3  -6.784   5.911  -1.588
   19    HB3  CYS   3           1HB      CYS   3  -7.349   6.400   0.000
   20    H    GLY   4           H        GLY   4  -5.033   3.091   0.628
   21    HA2  GLY   4           2HA      GLY   4  -6.002   2.842   3.392
   22    HA3  GLY   4           1HA      GLY   4  -4.724   1.887   2.664
   23    H    ASP   5           H        ASP   5  -4.234   2.897   5.082
   24    HA   ASP   5           HA       ASP   5  -2.794   5.418   4.822
   25    HB2  ASP   5           2HB      ASP   5  -3.431   3.636   7.176
   26    HB3  ASP   5           1HB      ASP   5  -2.373   5.035   7.310
   27    HA   HYP   6           HA       HYP   6   1.312   3.723   4.291
   28    HB2  HYP   6           2HB      HYP   6   2.308   5.233   6.649
   29    HB3  HYP   6           1HB      HYP   6   2.840   5.302   4.957
   30    HG   HYP   6           2HG      HYP   6   1.451   7.307   6.023
   31   HD22  HYP   6          1HD       HYP   6  -0.957   6.606   5.002
   32   HD23  HYP   6          2HD       HYP   6  -0.521   6.276   6.692
   33    HD1  HYP   6           1HG      HYP   6   0.405   6.554   3.544
   34    H    GLY   7           H        GLY   7   1.840   1.722   4.778
   35    HA2  GLY   7           2HA      GLY   7   2.958   0.212   6.326
   36    HA3  GLY   7           1HA      GLY   7   1.976   0.899   7.612
   37    H    ALA   8           H        ALA   8   0.244   0.453   4.735
   38    HA   ALA   8           HA       ALA   8  -1.246  -1.772   5.882
   39    HB1  ALA   8           1HB      ALA   8  -2.901  -1.293   4.158
   40    HB2  ALA   8           2HB      ALA   8  -1.811  -0.121   3.417
   41    HB3  ALA   8           3HB      ALA   8  -2.467   0.180   5.026
   42    H    THR   9           H        THR   9  -1.750  -3.683   4.694
   43    HA   THR   9           HA       THR   9   0.471  -4.699   3.156
   44    HB   THR   9           HB       THR   9  -2.026  -6.308   3.407
   45    HG1  THR   9           1HG      THR   9  -1.482  -6.784   5.609
   46   HG21  THR   9          3HG2      THR   9  -0.417  -8.090   3.923
   47   HG22  THR   9          1HG2      THR   9   0.897  -6.914   3.892
   48   HG23  THR   9          2HG2      THR   9  -0.003  -7.270   2.418
   49    H    CYS  10           H        CYS  10   0.592  -5.036   1.013
   50    HA   CYS  10           HA       CYS  10  -1.681  -4.162  -0.637
   51    HB2  CYS  10           2HB      CYS  10   0.486  -2.952  -0.891
   52    HB3  CYS  10           1HB      CYS  10   1.221  -4.455  -1.437
   53    H    GLY  11           H        GLY  11  -2.434  -5.385  -2.345
   54    HA2  GLY  11           2HA      GLY  11  -1.245  -7.935  -3.011
   55    HA3  GLY  11           1HA      GLY  11  -2.764  -8.060  -2.138
   56    H    LYS  12           H        LYS  12  -3.768  -9.064  -3.901
   57    HA   LYS  12           HA       LYS  12  -4.144  -7.423  -6.312
   58    HB2  LYS  12           2HB      LYS  12  -4.495 -10.371  -5.792
   59    HB3  LYS  12           1HB      LYS  12  -5.146  -9.596  -7.229
   60    HG2  LYS  12           2HG      LYS  12  -2.888  -8.881  -7.858
   61    HG3  LYS  12           1HG      LYS  12  -2.244  -9.686  -6.426
   62    HD2  LYS  12           2HD      LYS  12  -3.074 -11.831  -7.256
   63    HD3  LYS  12           1HD      LYS  12  -3.733 -11.029  -8.682
   64    HE2  LYS  12           2HE      LYS  12  -1.475 -10.332  -9.326
   65    HE3  LYS  12           1HE      LYS  12  -0.820 -11.140  -7.903
   66    HZ1  LYS  12           3HZ      LYS  12  -0.591 -12.508  -9.876
   67    HZ2  LYS  12           1HZ      LYS  12  -2.263 -12.469 -10.134
   68    HZ3  LYS  12           2HZ      LYS  12  -1.635 -13.245  -8.768
   69    H    LEU  13           H        LEU  13  -5.931  -9.204  -3.823
   70    HA   LEU  13           HA       LEU  13  -8.485  -8.186  -4.804
   71    HB2  LEU  13           2HB      LEU  13  -8.006 -10.586  -3.950
   72    HB3  LEU  13           1HB      LEU  13  -8.098  -9.881  -2.350
   73    HG   LEU  13           HG       LEU  13 -10.431  -8.995  -3.227
   74   HD11  LEU  13          1HD1      LEU  13 -11.518 -10.611  -4.705
   75   HD12  LEU  13          2HD1      LEU  13  -9.985 -11.457  -4.911
   76   HD13  LEU  13          3HD1      LEU  13 -10.169  -9.809  -5.508
   77   HD21  LEU  13          3HD2      LEU  13 -11.476 -11.002  -2.283
   78   HD22  LEU  13          1HD2      LEU  13 -10.119 -10.445  -1.304
   79   HD23  LEU  13          2HD2      LEU  13  -9.927 -11.840  -2.365
   80    H    ARG  14           H        ARG  14  -6.132  -6.832  -3.101
   81    HA   ARG  14           HA       ARG  14  -7.722  -5.703  -0.928
   82    HB2  ARG  14           2HB      ARG  14  -4.799  -5.584  -1.652
   83    HB3  ARG  14           1HB      ARG  14  -5.486  -4.536  -0.419
   84    HG2  ARG  14           2HG      ARG  14  -6.119  -6.419   0.920
   85    HG3  ARG  14           1HG      ARG  14  -5.653  -7.541  -0.361
   86    HD2  ARG  14           2HD      ARG  14  -3.330  -6.838  -0.145
   87    HD3  ARG  14           1HD      ARG  14  -3.786  -5.683   1.107
   88    HE   ARG  14           HE       ARG  14  -4.614  -7.817   2.301
   89   HH11  ARG  14          1HH1      ARG  14  -1.744  -7.653   0.284
   90   HH12  ARG  14          2HH1      ARG  14  -0.936  -8.930   1.130
   91   HH21  ARG  14          1HH2      ARG  14  -3.537  -9.484   3.396
   92   HH22  ARG  14          2HH2      ARG  14  -1.952  -9.966   2.890
   93    H    LEU  15           H        LEU  15  -7.341  -3.254  -0.550
   94    HA   LEU  15           HA       LEU  15  -8.411  -1.859  -2.809
   95    HB2  LEU  15           2HB      LEU  15  -8.480   0.092  -1.292
   96    HB3  LEU  15           1HB      LEU  15  -9.245  -1.329  -0.616
   97    HG   LEU  15           HG       LEU  15  -6.824  -1.601   0.512
   98   HD11  LEU  15          1HD1      LEU  15  -5.885   0.383  -0.533
   99   HD12  LEU  15          2HD1      LEU  15  -5.990   0.588   1.215
  100   HD13  LEU  15          3HD1      LEU  15  -7.169   1.373   0.163
  101   HD21  LEU  15          3HD2      LEU  15  -8.806  -1.597   1.810
  102   HD22  LEU  15          1HD2      LEU  15  -9.131   0.096   1.433
  103   HD23  LEU  15          2HD2      LEU  15  -7.768  -0.330   2.469
  104    H    TYR  16           H        TYR  16  -7.529   0.412  -3.345
  105    HA   TYR  16           HA       TYR  16  -4.742   0.107  -4.144
  106    HB2  TYR  16           2HB      TYR  16  -6.897   2.070  -4.936
  107    HB3  TYR  16           1HB      TYR  16  -5.232   2.202  -5.490
  108    HD1  TYR  16           1HD      TYR  16  -4.329   0.619  -7.101
  109    HD2  TYR  16           2HD      TYR  16  -8.354   0.307  -5.758
  110    HE1  TYR  16           1HE      TYR  16  -4.823  -0.916  -8.958
  111    HE2  TYR  16           2HE      TYR  16  -8.858  -1.229  -7.610
  112    HH   TYR  16           HH       TYR  16  -6.449  -2.675  -9.510
  113    H    CYS  17           H        CYS  17  -3.168   1.750  -3.836
  114    HA   CYS  17           HA       CYS  17  -3.570   3.289  -1.368
  115    HB2  CYS  17           2HB      CYS  17  -1.090   2.177  -2.671
  116    HB3  CYS  17           1HB      CYS  17  -1.017   3.370  -1.375
  117    H    CYS  18           H        CYS  18  -3.203   5.433  -1.248
  118    HA   CYS  18           HA       CYS  18  -3.686   7.097  -3.395
  119    HB2  CYS  18           2HB      CYS  18  -2.359   7.665  -0.752
  120    HB3  CYS  18           1HB      CYS  18  -2.781   8.930  -1.901
  121    H    SER  19           H        SER  19  -0.568   5.926  -2.258
  122    HA   SER  19           HA       SER  19   0.942   7.779  -3.902
  123    HB2  SER  19           2HB      SER  19   1.734   6.991  -1.653
  124    HB3  SER  19           1HB      SER  19   1.967   5.390  -2.355
  125    HG   SER  19           HG       SER  19   3.699   7.307  -2.334
  126    H    GLY  20           H        GLY  20  -0.195   4.474  -4.086
  127    HA2  GLY  20           2HA      GLY  20  -0.363   3.081  -5.922
  128    HA3  GLY  20           1HA      GLY  20   0.395   4.330  -6.894
  129    H    PHE  21           H        PHE  21   2.003   3.171  -4.023
  130    HA   PHE  21           HA       PHE  21   3.794   1.530  -5.681
  131    HB2  PHE  21           2HB      PHE  21   4.997   3.571  -5.339
  132    HB3  PHE  21           1HB      PHE  21   4.567   3.623  -3.638
  133    HD1  PHE  21           2HD      PHE  21   6.233   1.124  -5.906
  134    HD2  PHE  21           1HD      PHE  21   6.351   3.295  -2.241
  135    HE1  PHE  21           2HE      PHE  21   8.350   0.017  -5.316
  136    HE2  PHE  21           1HE      PHE  21   8.469   2.193  -1.658
  137    HZ   PHE  21           HZ       PHE  21   9.468   0.555  -3.190
  138    H    CYS  22           H        CYS  22   3.873  -0.466  -5.032
  139    HA   CYS  22           HA       CYS  22   3.385  -1.106  -2.201
  140    HB2  CYS  22           2HB      CYS  22   2.802  -2.731  -4.683
  141    HB3  CYS  22           1HB      CYS  22   2.663  -3.357  -3.044
  142    H    ASP  23           H        ASP  23   5.099  -1.782  -1.129
  143    HA   ASP  23           HA       ASP  23   7.487  -2.651  -2.537
  144    HB2  ASP  23           2HB      ASP  23   6.963  -1.314  -0.092
  145    HB3  ASP  23           1HB      ASP  23   7.760  -2.832   0.315
  146    H    SER  24           H        SER  24   8.007  -4.682  -2.883
  147    HA   SER  24           HA       SER  24   6.409  -6.842  -1.816
  148    HB2  SER  24           2HB      SER  24   8.730  -6.863  -3.756
  149    HB3  SER  24           1HB      SER  24   7.721  -8.256  -3.364
  150    HG   SER  24           HG       SER  24   6.049  -6.372  -4.010
  151    H    TYR  25           H        TYR  25   9.167  -5.266  -0.750
  152    HA   TYR  25           HA       TYR  25  10.673  -7.478   0.270
  153    HB2  TYR  25           2HB      TYR  25  11.392  -4.993  -0.201
  154    HB3  TYR  25           1HB      TYR  25  10.844  -4.728   1.449
  155    HD1  TYR  25           2HD      TYR  25  12.046  -5.698   3.331
  156    HD2  TYR  25           1HD      TYR  25  13.377  -6.316  -0.662
  157    HE1  TYR  25           2HE      TYR  25  14.214  -6.488   4.182
  158    HE2  TYR  25           1HE      TYR  25  15.549  -7.107   0.178
  159    HH   TYR  25           HH       TYR  25  16.084  -7.895   3.434
  160    H    THR  26           H        THR  26   7.949  -5.667   1.361
  161    HA   THR  26           HA       THR  26   7.803  -7.282   3.801
  162    HB   THR  26           HB       THR  26   6.929  -5.237   5.032
  163    HG1  THR  26           1HG      THR  26   6.969  -4.077   2.800
  164   HG21  THR  26          3HG2      THR  26   9.826  -5.211   4.172
  165   HG22  THR  26          1HG2      THR  26   9.146  -6.165   5.491
  166   HG23  THR  26          2HG2      THR  26   9.168  -4.404   5.596
  167    H    LYS  27           H        LYS  27   6.396  -6.406   0.993
  168    HA   LYS  27           HA       LYS  27   4.331  -6.476   0.056
  169    HB2  LYS  27           2HB      LYS  27   4.488  -8.713   1.458
  170    HB3  LYS  27           1HB      LYS  27   3.217  -7.961   2.411
  171    HG2  LYS  27           2HG      LYS  27   1.828  -7.760   0.414
  172    HG3  LYS  27           1HG      LYS  27   3.107  -8.495  -0.555
  173    HD2  LYS  27           2HD      LYS  27   2.938 -10.540   0.785
  174    HD3  LYS  27           1HD      LYS  27   1.655  -9.802   1.745
  175    HE2  LYS  27           2HE      LYS  27   0.267  -9.610  -0.259
  176    HE3  LYS  27           1HE      LYS  27   1.552 -10.339  -1.221
  177    HZ1  LYS  27           3HZ      LYS  27   0.107 -11.655   1.015
  178    HZ2  LYS  27           1HZ      LYS  27   1.341 -12.356   0.094
  179    HZ3  LYS  27           2HZ      LYS  27  -0.135 -11.959  -0.631
  180    H    THR  28           H        THR  28   4.839  -4.132   1.325
  181    HA   THR  28           HA       THR  28   2.173  -3.324   2.281
  182    HB   THR  28           HB       THR  28   3.323  -1.720   3.881
  183    HG1  THR  28           1HG      THR  28   5.448  -2.776   4.568
  184   HG21  THR  28          3HG2      THR  28   3.574  -4.679   4.437
  185   HG22  THR  28          1HG2      THR  28   2.128  -3.697   4.675
  186   HG23  THR  28          2HG2      THR  28   3.566  -3.402   5.653
  187    H    CYS  29           H        CYS  29   1.760  -1.028   2.134
  188    HA   CYS  29           HA       CYS  29   2.754   0.053  -0.346
  189    HB2  CYS  29           2HB      CYS  29   0.536   0.677   1.532
  190    HB3  CYS  29           1HB      CYS  29   1.106   1.963   0.479
  191    H    LYS  30           H        LYS  30   4.179   1.618  -0.636
  192    HA   LYS  30           HA       LYS  30   5.025   3.264   1.655
  193    HB2  LYS  30           2HB      LYS  30   6.784   1.718  -0.242
  194    HB3  LYS  30           1HB      LYS  30   7.388   3.075   0.698
  195    HG2  LYS  30           2HG      LYS  30   6.316   1.681   2.688
  196    HG3  LYS  30           1HG      LYS  30   6.614   0.349   1.569
  197    HD2  LYS  30           2HD      LYS  30   8.955   0.934   1.437
  198    HD3  LYS  30           1HD      LYS  30   8.687   2.358   2.446
  199    HE2  LYS  30           2HE      LYS  30   9.549   0.781   3.926
  200    HE3  LYS  30           1HE      LYS  30   7.812   0.710   4.201
  201    HZ1  LYS  30           3HZ      LYS  30   8.770  -1.500   4.065
  202    HZ2  LYS  30           1HZ      LYS  30   9.372  -1.175   2.516
  203    HZ3  LYS  30           2HZ      LYS  30   7.703  -1.242   2.779
  204    H    ASP  31           H        ASP  31   6.249   5.223   0.983
  205    HA   ASP  31           HA       ASP  31   4.985   6.443  -1.337
  206    HB2  ASP  31           2HB      ASP  31   6.670   7.564   0.907
  207    HB3  ASP  31           1HB      ASP  31   6.123   8.536  -0.456
  208    H    LYS  32           H        LYS  32   5.930   6.689  -3.243
  209    HA   LYS  32           HA       LYS  32   8.772   6.047  -3.528
  210    HB2  LYS  32           2HB      LYS  32   6.732   5.086  -4.931
  211    HB3  LYS  32           1HB      LYS  32   6.994   6.544  -5.877
  212    HG2  LYS  32           2HG      LYS  32   9.310   5.875  -6.275
  213    HG3  LYS  32           1HG      LYS  32   9.053   4.415  -5.317
  214    HD2  LYS  32           2HD      LYS  32   7.333   3.684  -6.901
  215    HD3  LYS  32           1HD      LYS  32   7.594   5.144  -7.858
  216    HE2  LYS  32           2HE      LYS  32   9.910   4.464  -8.261
  217    HE3  LYS  32           1HE      LYS  32   9.650   3.007  -7.303
  218    HZ1  LYS  32           3HZ      LYS  32   9.469   2.554  -9.666
  219    HZ2  LYS  32           1HZ      LYS  32   8.231   3.696  -9.819
  220    HZ3  LYS  32           2HZ      LYS  32   7.982   2.296  -8.902
  221    H    SER  33           H        SER  33  10.246   7.416  -4.486
  222    HA   SER  33           HA       SER  33   9.364  10.171  -5.043
  223    HB2  SER  33           2HB      SER  33  10.497   9.958  -2.809
  224    HB3  SER  33           1HB      SER  33  11.951   9.432  -3.655
  225    HG   SER  33           HG       SER  33  11.155  11.905  -3.183
  226    H    SER  34           H        SER  34  10.399  11.242  -6.699
  227    HA   SER  34           HA       SER  34  12.323   9.679  -8.291
  228    HB2  SER  34           2HB      SER  34  11.271  10.711 -10.326
  229    HB3  SER  34           1HB      SER  34  10.219   9.593  -9.459
  230    HG   SER  34           HG       SER  34   9.144  11.349  -8.565
  231    H    ALA  35           H        ALA  35  14.099  10.711  -8.987
  232    HA   ALA  35           HA       ALA  35  14.263  13.626  -8.598
  233    HB1  ALA  35           1HB      ALA  35  15.471  12.465  -6.811
  234    HB2  ALA  35           2HB      ALA  35  16.568  13.377  -7.848
  235    HB3  ALA  35           3HB      ALA  35  16.446  11.626  -8.017
  Start of MODEL   18
    1    H1   GLY   1           1HT      GLY   1 -15.848   5.656  -2.792
    2    H2   GLY   1           2HT      GLY   1 -15.816   5.289  -4.443
    3    H3   GLY   1           3HT      GLY   1 -14.855   6.542  -3.836
    4    HA2  GLY   1           1HA      GLY   1 -14.553   3.657  -3.202
    5    HA3  GLY   1           2HA      GLY   1 -13.521   4.577  -4.286
    6    H    TRP   2           H        TRP   2 -12.809   3.110  -1.876
    7    HA   TRP   2           HA       TRP   2 -12.038   5.214   0.007
    8    HB2  TRP   2           2HB      TRP   2 -11.844   2.197   0.184
    9    HB3  TRP   2           1HB      TRP   2 -11.256   3.296   1.425
   10    HD1  TRP   2           HD       TRP   2 -13.049   4.467   2.988
   11    HE1  TRP   2           1HE      TRP   2 -15.541   4.012   3.430
   12    HE3  TRP   2           3HE      TRP   2 -14.048   1.405  -0.996
   13    HZ2  TRP   2           2HZ      TRP   2 -17.649   2.555   2.255
   14    HZ3  TRP   2           3HZ      TRP   2 -16.330   0.526  -1.259
   15    HH2  TRP   2           HH       TRP   2 -18.092   1.090   0.334
   16    H    CYS   3           H        CYS   3  -9.857   5.438   0.731
   17    HA   CYS   3           HA       CYS   3  -7.855   4.572  -1.254
   18    HB2  CYS   3           2HB      CYS   3  -8.385   7.075  -1.075
   19    HB3  CYS   3           1HB      CYS   3  -7.590   7.016   0.493
   20    H    GLY   4           H        GLY   4  -5.914   3.761  -0.539
   21    HA2  GLY   4           2HA      GLY   4  -5.914   2.711   2.176
   22    HA3  GLY   4           1HA      GLY   4  -4.811   2.273   0.885
   23    H    ASP   5           H        ASP   5  -4.691   3.347   3.811
   24    HA   ASP   5           HA       ASP   5  -3.031   5.709   3.511
   25    HB2  ASP   5           2HB      ASP   5  -4.016   4.147   5.898
   26    HB3  ASP   5           1HB      ASP   5  -2.884   5.486   6.052
   27    HA   HYP   6           HA       HYP   6   0.996   3.758   3.577
   28    HB2  HYP   6           2HB      HYP   6   1.856   5.430   5.869
   29    HB3  HYP   6           1HB      HYP   6   2.532   5.330   4.231
   30    HG   HYP   6           2HG      HYP   6   1.165   7.480   5.008
   31   HD22  HYP   6          1HD       HYP   6  -1.178   6.814   3.836
   32   HD23  HYP   6          2HD       HYP   6  -0.907   6.586   5.576
   33    HD1  HYP   6           1HG      HYP   6   1.317   7.829   2.912
   34    H    GLY   7           H        GLY   7   1.562   1.847   4.350
   35    HA2  GLY   7           2HA      GLY   7   2.425   0.541   6.223
   36    HA3  GLY   7           1HA      GLY   7   1.191   1.285   7.226
   37    H    ALA   8           H        ALA   8   0.065   0.489   4.126
   38    HA   ALA   8           HA       ALA   8  -1.546  -1.687   5.195
   39    HB1  ALA   8           1HB      ALA   8  -2.615   0.117   3.901
   40    HB2  ALA   8           2HB      ALA   8  -2.854  -1.467   3.162
   41    HB3  ALA   8           3HB      ALA   8  -1.665  -0.352   2.490
   42    H    THR   9           H        THR   9  -1.747  -3.731   4.157
   43    HA   THR   9           HA       THR   9   0.773  -4.714   3.076
   44    HB   THR   9           HB       THR   9  -1.563  -6.538   3.461
   45    HG1  THR   9           1HG      THR   9  -0.297  -5.065   5.495
   46   HG21  THR   9          3HG2      THR   9   0.182  -8.041   4.318
   47   HG22  THR   9          1HG2      THR   9   1.376  -6.755   4.138
   48   HG23  THR   9          2HG2      THR   9   0.589  -7.434   2.713
   49    H    CYS  10           H        CYS  10   1.072  -5.593   1.080
   50    HA   CYS  10           HA       CYS  10  -1.097  -5.211  -0.875
   51    HB2  CYS  10           2HB      CYS  10   1.893  -5.341  -1.328
   52    HB3  CYS  10           1HB      CYS  10   0.679  -5.081  -2.577
   53    H    GLY  11           H        GLY  11  -1.527  -6.797  -2.423
   54    HA2  GLY  11           2HA      GLY  11  -0.262  -9.128  -3.020
   55    HA3  GLY  11           1HA      GLY  11  -1.100  -9.504  -1.521
   56    H    LYS  12           H        LYS  12  -3.484  -8.582  -1.596
   57    HA   LYS  12           HA       LYS  12  -4.710  -9.775  -3.974
   58    HB2  LYS  12           2HB      LYS  12  -5.690  -9.244  -1.183
   59    HB3  LYS  12           1HB      LYS  12  -6.820  -9.579  -2.489
   60    HG2  LYS  12           2HG      LYS  12  -5.743 -11.724  -2.889
   61    HG3  LYS  12           1HG      LYS  12  -4.578 -11.387  -1.608
   62    HD2  LYS  12           2HD      LYS  12  -6.378 -11.325   0.032
   63    HD3  LYS  12           1HD      LYS  12  -7.565 -11.609  -1.243
   64    HE2  LYS  12           2HE      LYS  12  -5.300 -13.509  -0.731
   65    HE3  LYS  12           1HE      LYS  12  -6.818 -13.617   0.159
   66    HZ1  LYS  12           3HZ      LYS  12  -6.524 -13.781  -2.793
   67    HZ2  LYS  12           1HZ      LYS  12  -7.986 -13.878  -1.945
   68    HZ3  LYS  12           2HZ      LYS  12  -6.816 -15.084  -1.755
   69    H    LEU  13           H        LEU  13  -6.486  -8.751  -5.040
   70    HA   LEU  13           HA       LEU  13  -6.229  -5.844  -5.093
   71    HB2  LEU  13           2HB      LEU  13  -7.551  -7.788  -6.986
   72    HB3  LEU  13           1HB      LEU  13  -7.625  -6.049  -7.185
   73    HG   LEU  13           HG       LEU  13  -4.984  -6.268  -7.096
   74   HD11  LEU  13          1HD1      LEU  13  -4.220  -8.304  -8.214
   75   HD12  LEU  13          2HD1      LEU  13  -5.855  -8.961  -8.139
   76   HD13  LEU  13          3HD1      LEU  13  -4.956  -8.664  -6.652
   77   HD21  LEU  13          3HD2      LEU  13  -6.667  -6.934  -9.507
   78   HD22  LEU  13          1HD2      LEU  13  -4.990  -6.392  -9.545
   79   HD23  LEU  13          2HD2      LEU  13  -6.249  -5.319  -8.937
   80    H    ARG  14           H        ARG  14  -7.397  -4.989  -3.487
   81    HA   ARG  14           HA       ARG  14 -10.306  -5.251  -3.628
   82    HB2  ARG  14           2HB      ARG  14  -8.666  -5.704  -1.130
   83    HB3  ARG  14           1HB      ARG  14 -10.369  -5.274  -1.073
   84    HG2  ARG  14           2HG      ARG  14 -10.943  -7.296  -2.293
   85    HG3  ARG  14           1HG      ARG  14  -9.235  -7.719  -2.421
   86    HD2  ARG  14           2HD      ARG  14  -9.094  -7.838   0.026
   87    HD3  ARG  14           1HD      ARG  14 -10.809  -7.440   0.138
   88    HE   ARG  14           HE       ARG  14 -10.680  -9.654  -1.481
   89   HH11  ARG  14          2HH1      ARG  14  -9.698  -8.941   1.815
   90   HH12  ARG  14          1HH1      ARG  14  -9.912 -10.572   2.353
   91   HH21  ARG  14          1HH2      ARG  14 -10.953 -11.784  -0.753
   92   HH22  ARG  14          2HH2      ARG  14 -10.621 -12.179   0.901
   93    H    LEU  15           H        LEU  15  -7.566  -3.609  -2.064
   94    HA   LEU  15           HA       LEU  15  -8.900  -1.035  -2.502
   95    HB2  LEU  15           2HB      LEU  15  -9.339  -1.503  -0.192
   96    HB3  LEU  15           1HB      LEU  15  -7.693  -2.020   0.087
   97    HG   LEU  15           HG       LEU  15  -6.928   0.328  -0.168
   98   HD11  LEU  15          1HD1      LEU  15  -8.759   1.126  -1.623
   99   HD12  LEU  15          2HD1      LEU  15  -8.493   2.157  -0.218
  100   HD13  LEU  15          3HD1      LEU  15  -9.858   1.038  -0.246
  101   HD21  LEU  15          3HD2      LEU  15  -9.133   0.087   1.865
  102   HD22  LEU  15          1HD2      LEU  15  -7.679   1.079   1.965
  103   HD23  LEU  15          2HD2      LEU  15  -7.552  -0.680   2.030
  104    H    TYR  16           H        TYR  16  -7.597   0.570  -3.187
  105    HA   TYR  16           HA       TYR  16  -4.821  -0.119  -3.794
  106    HB2  TYR  16           2HB      TYR  16  -6.635   2.086  -4.788
  107    HB3  TYR  16           1HB      TYR  16  -4.931   1.973  -5.215
  108    HD1  TYR  16           1HD      TYR  16  -8.255   0.511  -5.686
  109    HD2  TYR  16           2HD      TYR  16  -4.140   0.245  -6.731
  110    HE1  TYR  16           1HE      TYR  16  -8.832  -0.991  -7.545
  111    HE2  TYR  16           2HE      TYR  16  -4.704  -1.258  -8.594
  112    HH   TYR  16           HH       TYR  16  -7.878  -1.705  -9.699
  113    H    CYS  17           H        CYS  17  -3.094   1.355  -3.388
  114    HA   CYS  17           HA       CYS  17  -3.394   2.760  -0.858
  115    HB2  CYS  17           2HB      CYS  17  -0.995   1.929  -2.479
  116    HB3  CYS  17           1HB      CYS  17  -0.861   2.961  -1.058
  117    H    CYS  18           H        CYS  18  -3.111   4.893  -0.522
  118    HA   CYS  18           HA       CYS  18  -3.778   6.743  -2.484
  119    HB2  CYS  18           2HB      CYS  18  -2.382   7.172   0.157
  120    HB3  CYS  18           1HB      CYS  18  -3.060   8.462  -0.829
  121    H    SER  19           H        SER  19  -0.613   5.521  -1.640
  122    HA   SER  19           HA       SER  19   0.777   7.632  -3.095
  123    HB2  SER  19           2HB      SER  19   1.849   5.198  -1.651
  124    HB3  SER  19           1HB      SER  19   2.834   6.472  -2.369
  125    HG   SER  19           HG       SER  19   2.041   7.912  -0.882
  126    H    GLY  20           H        GLY  20  -0.209   4.302  -3.517
  127    HA2  GLY  20           2HA      GLY  20  -0.378   3.056  -5.454
  128    HA3  GLY  20           1HA      GLY  20   0.289   4.412  -6.342
  129    H    PHE  21           H        PHE  21   1.913   2.857  -3.620
  130    HA   PHE  21           HA       PHE  21   3.751   1.506  -5.460
  131    HB2  PHE  21           2HB      PHE  21   4.883   3.579  -5.010
  132    HB3  PHE  21           1HB      PHE  21   4.560   3.455  -3.290
  133    HD1  PHE  21           1HD      PHE  21   6.072   1.057  -5.765
  134    HD2  PHE  21           2HD      PHE  21   6.543   3.269  -2.153
  135    HE1  PHE  21           1HE      PHE  21   8.265   0.002  -5.400
  136    HE2  PHE  21           2HE      PHE  21   8.734   2.216  -1.796
  137    HZ   PHE  21           HZ       PHE  21   9.591   0.586  -3.410
  138    H    CYS  22           H        CYS  22   3.954  -0.526  -4.946
  139    HA   CYS  22           HA       CYS  22   3.581  -1.370  -2.152
  140    HB2  CYS  22           2HB      CYS  22   2.822  -2.676  -4.745
  141    HB3  CYS  22           1HB      CYS  22   3.087  -3.653  -3.305
  142    H    ASP  23           H        ASP  23   5.372  -1.962  -1.179
  143    HA   ASP  23           HA       ASP  23   7.725  -2.729  -2.707
  144    HB2  ASP  23           2HB      ASP  23   7.281  -1.397  -0.245
  145    HB3  ASP  23           1HB      ASP  23   8.145  -2.886   0.130
  146    H    SER  24           H        SER  24   8.332  -4.742  -3.043
  147    HA   SER  24           HA       SER  24   6.838  -6.948  -1.920
  148    HB2  SER  24           2HB      SER  24   9.108  -6.907  -3.921
  149    HB3  SER  24           1HB      SER  24   8.155  -8.328  -3.494
  150    HG   SER  24           HG       SER  24   6.728  -6.082  -4.272
  151    H    TYR  25           H        TYR  25   9.565  -5.272  -0.933
  152    HA   TYR  25           HA       TYR  25  11.176  -7.423   0.053
  153    HB2  TYR  25           2HB      TYR  25  11.791  -4.916  -0.441
  154    HB3  TYR  25           1HB      TYR  25  11.273  -4.663   1.220
  155    HD1  TYR  25           1HD      TYR  25  12.554  -5.584   3.078
  156    HD2  TYR  25           2HD      TYR  25  13.814  -6.163  -0.944
  157    HE1  TYR  25           1HE      TYR  25  14.769  -6.291   3.879
  158    HE2  TYR  25           2HE      TYR  25  16.032  -6.872  -0.154
  159    HH   TYR  25           HH       TYR  25  17.456  -6.593   1.831
  160    H    THR  26           H        THR  26   8.430  -5.685   1.234
  161    HA   THR  26           HA       THR  26   8.405  -7.319   3.668
  162    HB   THR  26           HB       THR  26   7.515  -5.311   4.940
  163    HG1  THR  26           1HG      THR  26   7.351  -4.115   2.781
  164   HG21  THR  26          3HG2      THR  26   9.744  -4.400   5.422
  165   HG22  THR  26          1HG2      THR  26  10.375  -5.180   3.970
  166   HG23  THR  26          2HG2      THR  26   9.777  -6.160   5.310
  167    H    LYS  27           H        LYS  27   6.886  -6.484   0.909
  168    HA   LYS  27           HA       LYS  27   4.797  -6.611   0.040
  169    HB2  LYS  27           2HB      LYS  27   4.430  -8.361   2.473
  170    HB3  LYS  27           1HB      LYS  27   3.153  -8.126   1.289
  171    HG2  LYS  27           2HG      LYS  27   4.624  -9.024  -0.459
  172    HG3  LYS  27           1HG      LYS  27   5.879  -9.290   0.753
  173    HD2  LYS  27           2HD      LYS  27   4.403 -10.822   1.954
  174    HD3  LYS  27           1HD      LYS  27   3.134 -10.544   0.759
  175    HE2  LYS  27           2HE      LYS  27   4.587 -11.463  -0.987
  176    HE3  LYS  27           1HE      LYS  27   5.844 -11.752   0.215
  177    HZ1  LYS  27           3HZ      LYS  27   3.146 -12.995   0.203
  178    HZ2  LYS  27           1HZ      LYS  27   4.355 -13.277   1.353
  179    HZ3  LYS  27           2HZ      LYS  27   4.585 -13.758  -0.252
  180    H    THR  28           H        THR  28   5.249  -4.247   1.214
  181    HA   THR  28           HA       THR  28   2.593  -3.477   2.202
  182    HB   THR  28           HB       THR  28   3.719  -1.883   3.841
  183    HG1  THR  28           1HG      THR  28   5.809  -2.597   4.551
  184   HG21  THR  28          3HG2      THR  28   3.904  -3.582   5.604
  185   HG22  THR  28          1HG2      THR  28   3.922  -4.850   4.377
  186   HG23  THR  28          2HG2      THR  28   2.484  -3.852   4.592
  187    H    CYS  29           H        CYS  29   2.135  -1.211   2.029
  188    HA   CYS  29           HA       CYS  29   3.210  -0.084  -0.392
  189    HB2  CYS  29           2HB      CYS  29   0.959   0.602   1.454
  190    HB3  CYS  29           1HB      CYS  29   1.515   1.782   0.277
  191    H    LYS  30           H        LYS  30   4.582   1.540  -0.634
  192    HA   LYS  30           HA       LYS  30   5.404   3.101   1.726
  193    HB2  LYS  30           2HB      LYS  30   7.187   1.736  -0.293
  194    HB3  LYS  30           1HB      LYS  30   7.763   3.001   0.780
  195    HG2  LYS  30           2HG      LYS  30   6.916   1.507   2.682
  196    HG3  LYS  30           1HG      LYS  30   6.832   0.236   1.459
  197    HD2  LYS  30           2HD      LYS  30   9.203   0.544   0.966
  198    HD3  LYS  30           1HD      LYS  30   9.294   1.830   2.171
  199    HE2  LYS  30           2HE      LYS  30   8.679   0.231   3.918
  200    HE3  LYS  30           1HE      LYS  30   8.586  -1.053   2.714
  201    HZ1  LYS  30           3HZ      LYS  30  10.941  -0.737   2.256
  202    HZ2  LYS  30           1HZ      LYS  30  10.690  -1.102   3.889
  203    HZ3  LYS  30           2HZ      LYS  30  11.026   0.488   3.420
  204    H    ASP  31           H        ASP  31   6.681   5.081   1.092
  205    HA   ASP  31           HA       ASP  31   5.346   6.430  -1.115
  206    HB2  ASP  31           2HB      ASP  31   7.133   7.416   1.113
  207    HB3  ASP  31           1HB      ASP  31   6.557   8.459  -0.183
  208    H    LYS  32           H        LYS  32   6.342   7.235  -2.924
  209    HA   LYS  32           HA       LYS  32   8.970   6.139  -3.550
  210    HB2  LYS  32           2HB      LYS  32   6.726   7.294  -5.158
  211    HB3  LYS  32           1HB      LYS  32   8.342   7.250  -5.848
  212    HG2  LYS  32           2HG      LYS  32   8.417   4.829  -5.514
  213    HG3  LYS  32           1HG      LYS  32   6.788   4.878  -4.838
  214    HD2  LYS  32           2HD      LYS  32   5.874   5.619  -6.925
  215    HD3  LYS  32           1HD      LYS  32   7.484   5.835  -7.611
  216    HE2  LYS  32           2HE      LYS  32   6.463   3.170  -6.660
  217    HE3  LYS  32           1HE      LYS  32   6.223   3.747  -8.308
  218    HZ1  LYS  32           3HZ      LYS  32   8.622   3.905  -8.563
  219    HZ2  LYS  32           1HZ      LYS  32   8.169   2.329  -8.143
  220    HZ3  LYS  32           2HZ      LYS  32   8.852   3.351  -6.981
  221    H    SER  33           H        SER  33  10.703   7.371  -4.334
  222    HA   SER  33           HA       SER  33  10.746  10.132  -3.353
  223    HB2  SER  33           2HB      SER  33  12.472   8.498  -2.544
  224    HB3  SER  33           1HB      SER  33  13.091   8.411  -4.193
  225    HG   SER  33           HG       SER  33  14.183   9.942  -2.793
  226    H    SER  34           H        SER  34  11.506   8.204  -6.236
  227    HA   SER  34           HA       SER  34  11.599  10.692  -7.817
  228    HB2  SER  34           2HB      SER  34  12.952   8.041  -8.380
  229    HB3  SER  34           1HB      SER  34  13.003   9.454  -9.434
  230    HG   SER  34           HG       SER  34  14.770   9.766  -8.278
  231    H    ALA  35           H        ALA  35  10.463  10.803  -9.732
  232    HA   ALA  35           HA       ALA  35   8.503   8.650 -10.190
  233    HB1  ALA  35           1HB      ALA  35   8.172  11.599 -10.734
  234    HB2  ALA  35           2HB      ALA  35   7.480  10.721  -9.371
  235    HB3  ALA  35           3HB      ALA  35   6.962  10.346 -11.014
  Start of MODEL   19
    1    H1   GLY   1           1HT      GLY   1 -15.075   1.883  -3.883
    2    H2   GLY   1           2HT      GLY   1 -15.247   2.829  -2.491
    3    H3   GLY   1           3HT      GLY   1 -14.183   1.514  -2.493
    4    HA2  GLY   1           1HA      GLY   1 -12.797   2.602  -4.152
    5    HA3  GLY   1           2HA      GLY   1 -13.898   3.972  -4.133
    6    H    TRP   2           H        TRP   2 -12.061   1.976  -1.823
    7    HA   TRP   2           HA       TRP   2 -11.593   4.337  -0.159
    8    HB2  TRP   2           2HB      TRP   2 -11.193   1.382   0.325
    9    HB3  TRP   2           1HB      TRP   2 -10.606   2.613   1.439
   10    HD1  TRP   2           HD       TRP   2 -12.431   3.959   2.859
   11    HE1  TRP   2           1HE      TRP   2 -14.880   3.438   3.448
   12    HE3  TRP   2           3HE      TRP   2 -13.348   0.290  -0.597
   13    HZ2  TRP   2           2HZ      TRP   2 -16.927   1.709   2.571
   14    HZ3  TRP   2           3HZ      TRP   2 -15.580  -0.742  -0.650
   15    HH2  TRP   2           HH       TRP   2 -17.331  -0.047   0.903
   16    H    CYS   3           H        CYS   3  -9.516   4.954   0.527
   17    HA   CYS   3           HA       CYS   3  -7.349   4.150  -1.296
   18    HB2  CYS   3           2HB      CYS   3  -8.318   6.695  -0.644
   19    HB3  CYS   3           1HB      CYS   3  -6.807   6.548   0.242
   20    H    GLY   4           H        GLY   4  -5.504   3.310  -0.496
   21    HA2  GLY   4           2HA      GLY   4  -5.445   2.666   2.349
   22    HA3  GLY   4           1HA      GLY   4  -4.421   1.971   1.103
   23    H    ASP   5           H        ASP   5  -4.001   3.354   3.803
   24    HA   ASP   5           HA       ASP   5  -2.276   5.590   3.061
   25    HB2  ASP   5           2HB      ASP   5  -3.290   4.511   5.686
   26    HB3  ASP   5           1HB      ASP   5  -2.008   5.715   5.623
   27    HA   HYP   6           HA       HYP   6   1.647   3.466   3.162
   28    HB2  HYP   6           2HB      HYP   6   3.081   5.117   4.924
   29    HB3  HYP   6           1HB      HYP   6   2.947   5.341   3.170
   30    HG   HYP   6           2HG      HYP   6   1.471   6.706   5.364
   31   HD22  HYP   6          1HD       HYP   6   0.210   6.444   2.650
   32   HD23  HYP   6          2HD       HYP   6  -0.560   6.716   4.227
   33    HD1  HYP   6           1HG      HYP   6   2.012   7.450   2.648
   34    H    GLY   7           H        GLY   7   2.363   1.737   4.215
   35    HA2  GLY   7           2HA      GLY   7   3.208   0.618   6.159
   36    HA3  GLY   7           1HA      GLY   7   2.159   1.620   7.149
   37    H    ALA   8           H        ALA   8   0.508   0.590   4.432
   38    HA   ALA   8           HA       ALA   8  -0.930  -1.451   5.966
   39    HB1  ALA   8           1HB      ALA   8  -1.706  -0.032   3.417
   40    HB2  ALA   8           2HB      ALA   8  -2.240   0.400   5.041
   41    HB3  ALA   8           3HB      ALA   8  -2.721  -1.143   4.337
   42    H    THR   9           H        THR   9  -1.510  -3.466   5.005
   43    HA   THR   9           HA       THR   9   0.587  -4.649   3.438
   44    HB   THR   9           HB       THR   9  -1.969  -6.123   3.921
   45    HG1  THR   9           1HG      THR   9  -1.083  -4.769   5.868
   46   HG21  THR   9          3HG2      THR   9  -0.421  -7.961   4.429
   47   HG22  THR   9          1HG2      THR   9   0.946  -6.864   4.234
   48   HG23  THR   9          2HG2      THR   9  -0.077  -7.254   2.850
   49    H    CYS  10           H        CYS  10   0.711  -4.712   1.305
   50    HA   CYS  10           HA       CYS  10  -1.660  -4.109  -0.310
   51    HB2  CYS  10           2HB      CYS  10   0.398  -2.751  -0.639
   52    HB3  CYS  10           1HB      CYS  10   1.248  -4.207  -1.146
   53    H    GLY  11           H        GLY  11  -2.663  -5.598  -1.475
   54    HA2  GLY  11           2HA      GLY  11  -1.401  -8.249  -1.761
   55    HA3  GLY  11           1HA      GLY  11  -3.134  -7.956  -1.724
   56    H    LYS  12           H        LYS  12  -4.051  -8.285  -3.622
   57    HA   LYS  12           HA       LYS  12  -2.666  -7.360  -6.048
   58    HB2  LYS  12           2HB      LYS  12  -4.047 -10.003  -5.602
   59    HB3  LYS  12           1HB      LYS  12  -3.781  -9.354  -7.213
   60    HG2  LYS  12           2HG      LYS  12  -1.365  -9.321  -6.790
   61    HG3  LYS  12           1HG      LYS  12  -1.647 -10.004  -5.187
   62    HD2  LYS  12           2HD      LYS  12  -2.634 -11.994  -6.204
   63    HD3  LYS  12           1HD      LYS  12  -2.378 -11.307  -7.810
   64    HE2  LYS  12           2HE      LYS  12   0.039 -11.291  -7.411
   65    HE3  LYS  12           1HE      LYS  12  -0.223 -11.984  -5.810
   66    HZ1  LYS  12           3HZ      LYS  12  -0.921 -13.278  -8.392
   67    HZ2  LYS  12           1HZ      LYS  12  -1.179 -13.943  -6.858
   68    HZ3  LYS  12           2HZ      LYS  12   0.397 -13.678  -7.411
   69    H    LEU  13           H        LEU  13  -5.836  -8.473  -4.808
   70    HA   LEU  13           HA       LEU  13  -7.101  -6.171  -6.086
   71    HB2  LEU  13           2HB      LEU  13  -7.959  -9.033  -6.542
   72    HB3  LEU  13           1HB      LEU  13  -8.962  -7.649  -6.923
   73    HG   LEU  13           HG       LEU  13  -6.233  -7.805  -8.129
   74   HD11  LEU  13          1HD1      LEU  13  -7.125  -9.110 -10.001
   75   HD12  LEU  13          2HD1      LEU  13  -8.635  -9.336  -9.118
   76   HD13  LEU  13          3HD1      LEU  13  -7.137 -10.031  -8.496
   77   HD21  LEU  13          3HD2      LEU  13  -7.363  -6.669  -9.979
   78   HD22  LEU  13          1HD2      LEU  13  -7.594  -5.803  -8.459
   79   HD23  LEU  13          2HD2      LEU  13  -8.898  -6.790  -9.119
   80    H    ARG  14           H        ARG  14  -7.104  -5.523  -3.832
   81    HA   ARG  14           HA       ARG  14  -9.548  -6.382  -2.489
   82    HB2  ARG  14           2HB      ARG  14  -6.811  -6.449  -1.215
   83    HB3  ARG  14           1HB      ARG  14  -8.280  -6.318  -0.258
   84    HG2  ARG  14           2HG      ARG  14  -9.068  -8.442  -1.141
   85    HG3  ARG  14           1HG      ARG  14  -7.628  -8.568  -2.152
   86    HD2  ARG  14           2HD      ARG  14  -6.229  -8.587  -0.135
   87    HD3  ARG  14           1HD      ARG  14  -7.678  -8.486   0.864
   88    HE   ARG  14           HE       ARG  14  -8.030 -10.697  -0.740
   89   HH11  ARG  14          2HH1      ARG  14  -5.675  -9.717   1.674
   90   HH12  ARG  14          1HH1      ARG  14  -5.323 -11.342   2.156
   91   HH21  ARG  14          1HH2      ARG  14  -7.552 -12.816  -0.093
   92   HH22  ARG  14          2HH2      ARG  14  -6.385 -13.095   1.156
   93    H    LEU  15           H        LEU  15  -6.722  -4.237  -2.030
   94    HA   LEU  15           HA       LEU  15  -8.433  -1.892  -2.073
   95    HB2  LEU  15           2HB      LEU  15  -8.561  -2.394   0.266
   96    HB3  LEU  15           1HB      LEU  15  -6.847  -2.720   0.362
   97    HG   LEU  15           HG       LEU  15  -6.337  -0.342   0.166
   98   HD11  LEU  15          1HD1      LEU  15  -8.170   0.344  -1.304
   99   HD12  LEU  15          2HD1      LEU  15  -8.073   1.360   0.135
  100   HD13  LEU  15          3HD1      LEU  15  -9.314   0.111   0.018
  101   HD21  LEU  15          3HD2      LEU  15  -7.115   0.368   2.286
  102   HD22  LEU  15          1HD2      LEU  15  -6.933  -1.384   2.374
  103   HD23  LEU  15          2HD2      LEU  15  -8.538  -0.669   2.189
  104    H    TYR  16           H        TYR  16  -7.438  -0.148  -2.892
  105    HA   TYR  16           HA       TYR  16  -4.642  -0.447  -3.716
  106    HB2  TYR  16           2HB      TYR  16  -6.647   0.145  -5.298
  107    HB3  TYR  16           1HB      TYR  16  -6.445   1.768  -4.646
  108    HD1  TYR  16           1HD      TYR  16  -4.945  -0.847  -6.732
  109    HD2  TYR  16           2HD      TYR  16  -4.486   3.094  -5.195
  110    HE1  TYR  16           1HE      TYR  16  -3.156  -0.425  -8.365
  111    HE2  TYR  16           2HE      TYR  16  -2.695   3.527  -6.824
  112    HH   TYR  16           HH       TYR  16  -2.083   1.493  -9.468
  113    H    CYS  17           H        CYS  17  -3.080   1.062  -3.240
  114    HA   CYS  17           HA       CYS  17  -3.608   2.733  -0.914
  115    HB2  CYS  17           2HB      CYS  17  -1.057   1.862  -2.267
  116    HB3  CYS  17           1HB      CYS  17  -1.091   3.002  -0.925
  117    H    CYS  18           H        CYS  18  -3.436   4.906  -0.826
  118    HA   CYS  18           HA       CYS  18  -3.947   6.442  -3.111
  119    HB2  CYS  18           2HB      CYS  18  -3.728   6.876  -0.282
  120    HB3  CYS  18           1HB      CYS  18  -2.942   8.190  -1.152
  121    H    SER  19           H        SER  19  -0.926   5.399  -1.820
  122    HA   SER  19           HA       SER  19   0.633   7.507  -3.075
  123    HB2  SER  19           2HB      SER  19   1.507   5.021  -1.586
  124    HB3  SER  19           1HB      SER  19   2.581   6.302  -2.146
  125    HG   SER  19           HG       SER  19   0.392   6.806  -0.429
  126    H    GLY  20           H        GLY  20  -0.328   4.207  -3.723
  127    HA2  GLY  20           2HA      GLY  20  -0.331   3.133  -5.791
  128    HA3  GLY  20           1HA      GLY  20   0.677   4.416  -6.436
  129    H    PHE  21           H        PHE  21   2.368   3.723  -3.821
  130    HA   PHE  21           HA       PHE  21   4.072   1.815  -5.236
  131    HB2  PHE  21           2HB      PHE  21   5.143   3.879  -4.486
  132    HB3  PHE  21           1HB      PHE  21   4.630   3.579  -2.832
  133    HD1  PHE  21           2HD      PHE  21   5.614   1.625  -1.595
  134    HD2  PHE  21           1HD      PHE  21   7.164   2.979  -5.320
  135    HE1  PHE  21           2HE      PHE  21   7.712   0.429  -1.148
  136    HE2  PHE  21           1HE      PHE  21   9.273   1.784  -4.869
  137    HZ   PHE  21           HZ       PHE  21   9.536   0.510  -2.771
  138    H    CYS  22           H        CYS  22   3.914  -0.243  -4.797
  139    HA   CYS  22           HA       CYS  22   3.203  -1.112  -2.077
  140    HB2  CYS  22           2HB      CYS  22   2.569  -2.313  -4.763
  141    HB3  CYS  22           1HB      CYS  22   2.529  -3.286  -3.297
  142    H    ASP  23           H        ASP  23   4.956  -1.753  -1.012
  143    HA   ASP  23           HA       ASP  23   7.308  -2.744  -2.371
  144    HB2  ASP  23           2HB      ASP  23   6.787  -1.499   0.116
  145    HB3  ASP  23           1HB      ASP  23   7.460  -3.083   0.481
  146    H    SER  24           H        SER  24   7.653  -4.777  -2.877
  147    HA   SER  24           HA       SER  24   5.968  -6.897  -1.842
  148    HB2  SER  24           2HB      SER  24   8.155  -6.950  -3.932
  149    HB3  SER  24           1HB      SER  24   7.077  -8.292  -3.552
  150    HG   SER  24           HG       SER  24   5.363  -6.611  -4.030
  151    H    TYR  25           H        TYR  25   8.886  -5.543  -0.902
  152    HA   TYR  25           HA       TYR  25  10.265  -7.927  -0.063
  153    HB2  TYR  25           2HB      TYR  25  11.219  -5.548  -0.618
  154    HB3  TYR  25           1HB      TYR  25  10.840  -5.207   1.065
  155    HD1  TYR  25           2HD      TYR  25  12.996  -7.101  -1.209
  156    HD2  TYR  25           1HD      TYR  25  12.084  -6.273   2.863
  157    HE1  TYR  25           2HE      TYR  25  15.128  -8.121  -0.530
  158    HE2  TYR  25           1HE      TYR  25  14.212  -7.290   3.554
  159    HH   TYR  25           HH       TYR  25  16.694  -8.030   1.358
  160    H    THR  26           H        THR  26   7.827  -5.888   1.253
  161    HA   THR  26           HA       THR  26   7.806  -7.452   3.733
  162    HB   THR  26           HB       THR  26   7.174  -5.340   4.989
  163    HG1  THR  26           1HG      THR  26   7.977  -3.385   3.983
  164   HG21  THR  26          3HG2      THR  26   9.500  -4.616   5.304
  165   HG22  THR  26          1HG2      THR  26   9.967  -5.492   3.846
  166   HG23  THR  26          2HG2      THR  26   9.373  -6.374   5.253
  167    H    LYS  27           H        LYS  27   6.189  -6.555   1.045
  168    HA   LYS  27           HA       LYS  27   4.042  -6.533   0.313
  169    HB2  LYS  27           2HB      LYS  27   3.680  -8.160   2.832
  170    HB3  LYS  27           1HB      LYS  27   2.362  -7.862   1.709
  171    HG2  LYS  27           2HG      LYS  27   3.624  -8.960  -0.071
  172    HG3  LYS  27           1HG      LYS  27   4.955  -9.249   1.052
  173    HD2  LYS  27           2HD      LYS  27   3.467 -10.609   2.451
  174    HD3  LYS  27           1HD      LYS  27   2.147 -10.326   1.315
  175    HE2  LYS  27           2HE      LYS  27   3.434 -11.434  -0.450
  176    HE3  LYS  27           1HE      LYS  27   4.749 -11.719   0.690
  177    HZ1  LYS  27           3HZ      LYS  27   3.356 -13.677   0.429
  178    HZ2  LYS  27           1HZ      LYS  27   1.993 -12.805   0.926
  179    HZ3  LYS  27           2HZ      LYS  27   3.259 -13.086   2.012
  180    H    THR  28           H        THR  28   4.830  -4.197   1.497
  181    HA   THR  28           HA       THR  28   2.294  -3.176   2.580
  182    HB   THR  28           HB       THR  28   3.637  -1.664   4.120
  183    HG1  THR  28           1HG      THR  28   5.729  -2.006   4.335
  184   HG21  THR  28          3HG2      THR  28   3.659  -4.632   4.684
  185   HG22  THR  28          1HG2      THR  28   2.316  -3.528   4.981
  186   HG23  THR  28          2HG2      THR  28   3.817  -3.357   5.893
  187    H    CYS  29           H        CYS  29   1.941  -0.942   2.297
  188    HA   CYS  29           HA       CYS  29   3.100   0.078  -0.146
  189    HB2  CYS  29           2HB      CYS  29   0.835   0.987   1.614
  190    HB3  CYS  29           1HB      CYS  29   1.392   1.924   0.236
  191    H    LYS  30           H        LYS  30   4.363   1.833  -0.401
  192    HA   LYS  30           HA       LYS  30   5.111   3.422   1.959
  193    HB2  LYS  30           2HB      LYS  30   7.052   2.030   0.105
  194    HB3  LYS  30           1HB      LYS  30   7.526   3.295   1.216
  195    HG2  LYS  30           2HG      LYS  30   6.630   1.848   3.073
  196    HG3  LYS  30           1HG      LYS  30   6.471   0.561   1.876
  197    HD2  LYS  30           2HD      LYS  30   8.865   0.704   1.399
  198    HD3  LYS  30           1HD      LYS  30   9.027   1.998   2.589
  199    HE2  LYS  30           2HE      LYS  30   8.282   0.464   4.348
  200    HE3  LYS  30           1HE      LYS  30   8.128  -0.826   3.157
  201    HZ1  LYS  30           3HZ      LYS  30  10.650   0.569   3.875
  202    HZ2  LYS  30           1HZ      LYS  30  10.502  -0.673   2.736
  203    HZ3  LYS  30           2HZ      LYS  30  10.209  -0.985   4.373
  204    H    ASP  31           H        ASP  31   6.733   5.249   1.132
  205    HA   ASP  31           HA       ASP  31   5.324   6.657  -0.987
  206    HB2  ASP  31           2HB      ASP  31   7.458   7.503   0.977
  207    HB3  ASP  31           1HB      ASP  31   6.866   8.558  -0.302
  208    H    LYS  32           H        LYS  32   6.256   7.414  -2.881
  209    HA   LYS  32           HA       LYS  32   8.552   5.885  -3.821
  210    HB2  LYS  32           2HB      LYS  32   6.260   6.366  -5.052
  211    HB3  LYS  32           1HB      LYS  32   7.082   7.838  -5.547
  212    HG2  LYS  32           2HG      LYS  32   8.870   6.504  -6.551
  213    HG3  LYS  32           1HG      LYS  32   8.042   5.027  -6.055
  214    HD2  LYS  32           2HD      LYS  32   6.115   5.648  -7.436
  215    HD3  LYS  32           1HD      LYS  32   6.951   7.120  -7.935
  216    HE2  LYS  32           2HE      LYS  32   8.721   5.767  -8.949
  217    HE3  LYS  32           1HE      LYS  32   7.887   4.298  -8.446
  218    HZ1  LYS  32           3HZ      LYS  32   6.822   6.336 -10.328
  219    HZ2  LYS  32           1HZ      LYS  32   6.017   4.927  -9.844
  220    HZ3  LYS  32           2HZ      LYS  32   7.436   4.819 -10.758
  221    H    SER  33           H        SER  33   7.599   9.264  -3.334
  222    HA   SER  33           HA       SER  33  10.268  10.183  -4.114
  223    HB2  SER  33           2HB      SER  33   7.758  11.750  -3.466
  224    HB3  SER  33           1HB      SER  33   9.286  12.450  -4.000
  225    HG   SER  33           HG       SER  33   8.641  12.070  -5.950
  226    H    SER  34           H        SER  34  11.754  10.802  -2.692
  227    HA   SER  34           HA       SER  34  10.954  11.283   0.101
  228    HB2  SER  34           2HB      SER  34  12.012   9.025  -0.221
  229    HB3  SER  34           1HB      SER  34  13.478   9.847  -0.752
  230    HG   SER  34           HG       SER  34  13.895   9.742   1.325
  231    H    ALA  35           H        ALA  35  12.126  12.825   1.236
  232    HA   ALA  35           HA       ALA  35  13.658  14.681  -0.439
  233    HB1  ALA  35           1HB      ALA  35  13.178  16.359   1.262
  234    HB2  ALA  35           2HB      ALA  35  12.383  15.140   2.256
  235    HB3  ALA  35           3HB      ALA  35  11.692  15.594   0.699
  Start of MODEL   20
    1    H1   GLY   1           1HT      GLY   1 -13.103   6.098  -5.687
    2    H2   GLY   1           2HT      GLY   1 -13.568   4.733  -6.570
    3    H3   GLY   1           3HT      GLY   1 -11.970   4.892  -6.040
    4    HA2  GLY   1           1HA      GLY   1 -14.352   4.564  -4.299
    5    HA3  GLY   1           2HA      GLY   1 -13.177   3.311  -4.667
    6    H    TRP   2           H        TRP   2 -12.744   3.069  -2.440
    7    HA   TRP   2           HA       TRP   2 -11.462   5.313  -1.065
    8    HB2  TRP   2           2HB      TRP   2 -12.381   2.602  -0.092
    9    HB3  TRP   2           1HB      TRP   2 -11.500   3.745   0.915
   10    HD1  TRP   2           HD       TRP   2 -14.909   3.241  -0.761
   11    HE1  TRP   2           1HE      TRP   2 -16.616   4.816   0.345
   12    HE3  TRP   2           3HE      TRP   2 -11.730   5.950   2.206
   13    HZ2  TRP   2           2HZ      TRP   2 -16.621   6.921   2.221
   14    HZ3  TRP   2           3HZ      TRP   2 -12.674   7.725   3.624
   15    HH2  TRP   2           HH       TRP   2 -15.068   8.200   3.629
   16    H    CYS   3           H        CYS   3  -9.359   5.316  -0.399
   17    HA   CYS   3           HA       CYS   3  -7.670   3.087  -1.325
   18    HB2  CYS   3           2HB      CYS   3  -5.875   4.717  -1.721
   19    HB3  CYS   3           1HB      CYS   3  -7.299   5.083  -2.686
   20    H    GLY   4           H        GLY   4  -5.827   2.564  -0.068
   21    HA2  GLY   4           2HA      GLY   4  -6.262   2.942   2.780
   22    HA3  GLY   4           1HA      GLY   4  -5.111   1.847   2.036
   23    H    ASP   5           H        ASP   5  -4.547   3.446   4.259
   24    HA   ASP   5           HA       ASP   5  -2.988   5.734   3.382
   25    HB2  ASP   5           2HB      ASP   5  -3.596   4.521   6.078
   26    HB3  ASP   5           1HB      ASP   5  -2.445   5.837   5.890
   27    HA   HYP   6           HA       HYP   6   1.081   3.890   3.042
   28    HB2  HYP   6           2HB      HYP   6   2.085   5.681   5.206
   29    HB3  HYP   6           1HB      HYP   6   2.695   5.454   3.555
   30    HG   HYP   6           2HG      HYP   6   1.364   7.657   4.187
   31   HD22  HYP   6          1HD       HYP   6  -1.052   6.862   3.228
   32   HD23  HYP   6          2HD       HYP   6  -0.673   6.865   4.962
   33    HD1  HYP   6           1HG      HYP   6   0.277   6.655   1.865
   34    H    GLY   7           H        GLY   7   1.653   1.975   3.763
   35    HA2  GLY   7           2HA      GLY   7   2.733   0.651   5.496
   36    HA3  GLY   7           1HA      GLY   7   1.714   1.467   6.673
   37    H    ALA   8           H        ALA   8   0.065   0.703   3.817
   38    HA   ALA   8           HA       ALA   8  -1.409  -1.433   5.155
   39    HB1  ALA   8           1HB      ALA   8  -3.095  -1.089   3.426
   40    HB2  ALA   8           2HB      ALA   8  -2.033   0.053   2.604
   41    HB3  ALA   8           3HB      ALA   8  -2.673   0.439   4.201
   42    H    THR   9           H        THR   9  -1.921  -3.414   4.094
   43    HA   THR   9           HA       THR   9   0.287  -4.578   2.684
   44    HB   THR   9           HB       THR   9  -2.329  -6.014   2.873
   45    HG1  THR   9           1HG      THR   9  -2.410  -5.465   4.936
   46   HG21  THR   9          3HG2      THR   9   0.529  -6.827   3.433
   47   HG22  THR   9          1HG2      THR   9  -0.369  -7.156   1.951
   48   HG23  THR   9          2HG2      THR   9  -0.871  -7.899   3.468
   49    H    CYS  10           H        CYS  10   0.604  -4.692   0.567
   50    HA   CYS  10           HA       CYS  10  -1.542  -3.904  -1.264
   51    HB2  CYS  10           2HB      CYS  10   1.438  -4.206  -1.691
   52    HB3  CYS  10           1HB      CYS  10   0.298  -3.732  -2.945
   53    H    GLY  11           H        GLY  11  -2.357  -5.197  -2.837
   54    HA2  GLY  11           2HA      GLY  11  -1.178  -7.602  -3.759
   55    HA3  GLY  11           1HA      GLY  11  -2.377  -7.966  -2.526
   56    H    LYS  12           H        LYS  12  -3.660  -9.070  -4.032
   57    HA   LYS  12           HA       LYS  12  -4.886  -7.457  -6.159
   58    HB2  LYS  12           2HB      LYS  12  -4.721 -10.434  -5.713
   59    HB3  LYS  12           1HB      LYS  12  -5.803  -9.723  -6.901
   60    HG2  LYS  12           2HG      LYS  12  -3.895  -8.731  -8.055
   61    HG3  LYS  12           1HG      LYS  12  -2.805  -9.426  -6.856
   62    HD2  LYS  12           2HD      LYS  12  -3.525 -11.675  -7.511
   63    HD3  LYS  12           1HD      LYS  12  -4.611 -10.974  -8.713
   64    HE2  LYS  12           2HE      LYS  12  -2.692  -9.987  -9.865
   65    HE3  LYS  12           1HE      LYS  12  -1.608 -10.685  -8.662
   66    HZ1  LYS  12           3HZ      LYS  12  -2.314 -12.888  -9.359
   67    HZ2  LYS  12           1HZ      LYS  12  -1.687 -12.024 -10.671
   68    HZ3  LYS  12           2HZ      LYS  12  -3.359 -12.220 -10.508
   69    H    LEU  13           H        LEU  13  -5.687  -9.485  -3.370
   70    HA   LEU  13           HA       LEU  13  -8.520  -8.809  -3.590
   71    HB2  LEU  13           2HB      LEU  13  -7.019 -10.672  -1.752
   72    HB3  LEU  13           1HB      LEU  13  -8.742 -10.375  -1.631
   73    HG   LEU  13           HG       LEU  13  -7.642 -11.327  -4.241
   74   HD11  LEU  13          1HD1      LEU  13  -7.870 -13.651  -3.502
   75   HD12  LEU  13          2HD1      LEU  13  -8.159 -13.095  -1.854
   76   HD13  LEU  13          3HD1      LEU  13  -6.597 -12.806  -2.621
   77   HD21  LEU  13          3HD2      LEU  13 -10.212 -11.843  -2.742
   78   HD22  LEU  13          1HD2      LEU  13  -9.822 -12.439  -4.355
   79   HD23  LEU  13          2HD2      LEU  13  -9.997 -10.706  -4.073
   80    H    ARG  14           H        ARG  14  -5.865  -7.370  -2.307
   81    HA   ARG  14           HA       ARG  14  -7.082  -6.435   0.172
   82    HB2  ARG  14           2HB      ARG  14  -4.357  -6.060  -1.073
   83    HB3  ARG  14           1HB      ARG  14  -4.860  -5.166   0.354
   84    HG2  ARG  14           2HG      ARG  14  -5.013  -8.155   0.325
   85    HG3  ARG  14           1HG      ARG  14  -3.475  -7.345   0.620
   86    HD2  ARG  14           2HD      ARG  14  -4.419  -7.784   2.747
   87    HD3  ARG  14           1HD      ARG  14  -4.639  -6.060   2.458
   88    HE   ARG  14           HE       ARG  14  -6.920  -7.507   1.607
   89   HH11  ARG  14          1HH1      ARG  14  -5.352  -6.400   4.549
   90   HH12  ARG  14          2HH1      ARG  14  -6.829  -6.351   5.452
   91   HH21  ARG  14          1HH2      ARG  14  -8.839  -7.430   2.808
   92   HH22  ARG  14          2HH2      ARG  14  -8.801  -6.934   4.466
   93    H    LEU  15           H        LEU  15  -6.669  -3.968   0.602
   94    HA   LEU  15           HA       LEU  15  -8.301  -2.500  -1.223
   95    HB2  LEU  15           2HB      LEU  15  -7.859  -2.296   1.401
   96    HB3  LEU  15           1HB      LEU  15  -6.682  -1.117   0.865
   97    HG   LEU  15           HG       LEU  15  -9.529  -0.906  -0.066
   98   HD11  LEU  15          1HD1      LEU  15  -8.448   0.150   2.544
   99   HD12  LEU  15          2HD1      LEU  15  -9.636  -1.144   2.368
  100   HD13  LEU  15          3HD1      LEU  15 -10.037   0.496   1.857
  101   HD21  LEU  15          3HD2      LEU  15  -8.993   1.470  -0.149
  102   HD22  LEU  15          1HD2      LEU  15  -7.831   0.537  -1.091
  103   HD23  LEU  15          2HD2      LEU  15  -7.388   1.143   0.503
  104    H    TYR  16           H        TYR  16  -7.758  -0.619  -2.415
  105    HA   TYR  16           HA       TYR  16  -5.262  -0.742  -3.793
  106    HB2  TYR  16           2HB      TYR  16  -7.610   0.052  -4.621
  107    HB3  TYR  16           1HB      TYR  16  -7.122   1.609  -3.964
  108    HD1  TYR  16           1HD      TYR  16  -6.510  -0.879  -6.583
  109    HD2  TYR  16           2HD      TYR  16  -5.349   2.900  -5.012
  110    HE1  TYR  16           1HE      TYR  16  -5.297  -0.393  -8.666
  111    HE2  TYR  16           2HE      TYR  16  -4.132   3.398  -7.091
  112    HH   TYR  16           HH       TYR  16  -4.505   1.566  -9.922
  113    H    CYS  17           H        CYS  17  -3.642   0.866  -3.928
  114    HA   CYS  17           HA       CYS  17  -3.189   2.269  -1.404
  115    HB2  CYS  17           2HB      CYS  17  -1.488   1.036  -3.453
  116    HB3  CYS  17           1HB      CYS  17  -0.884   2.574  -2.845
  117    H    CYS  18           H        CYS  18  -2.946   4.413  -1.205
  118    HA   CYS  18           HA       CYS  18  -3.701   6.088  -3.471
  119    HB2  CYS  18           2HB      CYS  18  -4.182   6.166  -0.677
  120    HB3  CYS  18           1HB      CYS  18  -3.243   7.599  -1.079
  121    H    SER  19           H        SER  19  -0.861   5.042  -1.997
  122    HA   SER  19           HA       SER  19   0.673   7.469  -2.483
  123    HB2  SER  19           2HB      SER  19   1.074   6.019  -0.473
  124    HB3  SER  19           1HB      SER  19   1.674   4.766  -1.560
  125    HG   SER  19           HG       SER  19   2.741   7.382  -1.265
  126    H    GLY  20           H        GLY  20   0.085   4.362  -3.981
  127    HA2  GLY  20           2HA      GLY  20   0.401   3.958  -6.287
  128    HA3  GLY  20           1HA      GLY  20   1.595   5.242  -6.328
  129    H    PHE  21           H        PHE  21   3.232   4.369  -4.176
  130    HA   PHE  21           HA       PHE  21   4.591   2.170  -5.523
  131    HB2  PHE  21           2HB      PHE  21   5.998   4.052  -5.080
  132    HB3  PHE  21           1HB      PHE  21   5.488   4.127  -3.402
  133    HD1  PHE  21           2HD      PHE  21   7.019   1.553  -5.677
  134    HD2  PHE  21           1HD      PHE  21   7.081   3.493  -1.885
  135    HE1  PHE  21           2HE      PHE  21   8.955   0.186  -5.007
  136    HE2  PHE  21           1HE      PHE  21   9.016   2.131  -1.219
  137    HZ   PHE  21           HZ       PHE  21   9.953   0.480  -2.777
  138    H    CYS  22           H        CYS  22   4.291   0.184  -4.939
  139    HA   CYS  22           HA       CYS  22   3.684  -0.455  -2.134
  140    HB2  CYS  22           2HB      CYS  22   2.747  -1.684  -4.704
  141    HB3  CYS  22           1HB      CYS  22   2.804  -2.656  -3.238
  142    H    ASP  23           H        ASP  23   5.271  -1.400  -1.070
  143    HA   ASP  23           HA       ASP  23   7.548  -2.513  -2.467
  144    HB2  ASP  23           2HB      ASP  23   7.113  -1.295   0.054
  145    HB3  ASP  23           1HB      ASP  23   7.691  -2.929   0.370
  146    H    SER  24           H        SER  24   7.756  -4.552  -3.006
  147    HA   SER  24           HA       SER  24   5.902  -6.565  -2.062
  148    HB2  SER  24           2HB      SER  24   8.144  -6.730  -4.087
  149    HB3  SER  24           1HB      SER  24   6.968  -8.004  -3.767
  150    HG   SER  24           HG       SER  24   6.629  -5.536  -5.041
  151    H    TYR  25           H        TYR  25   8.926  -5.465  -1.059
  152    HA   TYR  25           HA       TYR  25  10.087  -7.951  -0.216
  153    HB2  TYR  25           2HB      TYR  25  11.201  -5.605  -0.666
  154    HB3  TYR  25           1HB      TYR  25  10.823  -5.328   1.030
  155    HD1  TYR  25           1HD      TYR  25  11.962  -6.578   2.779
  156    HD2  TYR  25           2HD      TYR  25  12.877  -7.239  -1.323
  157    HE1  TYR  25           1HE      TYR  25  14.006  -7.778   3.435
  158    HE2  TYR  25           2HE      TYR  25  14.923  -8.442  -0.679
  159    HH   TYR  25           HH       TYR  25  15.533  -9.462   2.498
  160    H    THR  26           H        THR  26   7.709  -5.838   1.041
  161    HA   THR  26           HA       THR  26   7.557  -7.404   3.519
  162    HB   THR  26           HB       THR  26   6.870  -5.280   4.725
  163    HG1  THR  26           1HG      THR  26   6.650  -3.635   3.403
  164   HG21  THR  26          3HG2      THR  26   9.712  -5.444   3.710
  165   HG22  THR  26          1HG2      THR  26   9.053  -6.310   5.099
  166   HG23  THR  26          2HG2      THR  26   9.180  -4.552   5.135
  167    H    LYS  27           H        LYS  27   6.071  -6.458   0.751
  168    HA   LYS  27           HA       LYS  27   3.963  -6.437  -0.085
  169    HB2  LYS  27           2HB      LYS  27   3.474  -8.107   2.386
  170    HB3  LYS  27           1HB      LYS  27   2.223  -7.803   1.192
  171    HG2  LYS  27           2HG      LYS  27   4.838  -8.926   0.297
  172    HG3  LYS  27           1HG      LYS  27   3.670  -9.982   1.093
  173    HD2  LYS  27           2HD      LYS  27   1.980  -9.353  -0.576
  174    HD3  LYS  27           1HD      LYS  27   3.164  -8.316  -1.376
  175    HE2  LYS  27           2HE      LYS  27   4.570 -10.264  -1.822
  176    HE3  LYS  27           1HE      LYS  27   3.399 -11.301  -1.009
  177    HZ1  LYS  27           3HZ      LYS  27   3.137 -11.380  -3.407
  178    HZ2  LYS  27           1HZ      LYS  27   2.884  -9.707  -3.462
  179    HZ3  LYS  27           2HZ      LYS  27   1.763 -10.707  -2.684
  180    H    THR  28           H        THR  28   4.726  -4.149   1.339
  181    HA   THR  28           HA       THR  28   2.102  -3.150   2.219
  182    HB   THR  28           HB       THR  28   3.318  -1.738   3.954
  183    HG1  THR  28           1HG      THR  28   5.342  -2.394   4.577
  184   HG21  THR  28          3HG2      THR  28   3.310  -3.524   5.642
  185   HG22  THR  28          1HG2      THR  28   3.250  -4.732   4.359
  186   HG23  THR  28          2HG2      THR  28   1.898  -3.622   4.588
  187    H    CYS  29           H        CYS  29   1.949  -0.769   2.196
  188    HA   CYS  29           HA       CYS  29   3.202   0.286  -0.182
  189    HB2  CYS  29           2HB      CYS  29   0.756   0.717   1.148
  190    HB3  CYS  29           1HB      CYS  29   1.621   2.251   1.175
  191    H    LYS  30           H        LYS  30   4.662   1.857  -0.365
  192    HA   LYS  30           HA       LYS  30   5.623   3.223   2.055
  193    HB2  LYS  30           2HB      LYS  30   7.260   1.606   0.118
  194    HB3  LYS  30           1HB      LYS  30   7.983   2.888   1.079
  195    HG2  LYS  30           2HG      LYS  30   6.730   1.534   3.027
  196    HG3  LYS  30           1HG      LYS  30   7.023   0.217   1.891
  197    HD2  LYS  30           2HD      LYS  30   9.381   0.666   1.891
  198    HD3  LYS  30           1HD      LYS  30   9.149   2.124   2.858
  199    HE2  LYS  30           2HE      LYS  30   8.418  -0.643   3.799
  200    HE3  LYS  30           1HE      LYS  30   9.969   0.125   4.119
  201    HZ1  LYS  30           3HZ      LYS  30   7.323   1.165   4.973
  202    HZ2  LYS  30           1HZ      LYS  30   8.816   1.901   5.283
  203    HZ3  LYS  30           2HZ      LYS  30   8.451   0.401   5.975
  204    H    ASP  31           H        ASP  31   6.996   5.117   1.562
  205    HA   ASP  31           HA       ASP  31   5.932   6.586  -0.713
  206    HB2  ASP  31           2HB      ASP  31   7.598   7.416   1.666
  207    HB3  ASP  31           1HB      ASP  31   7.188   8.517   0.356
  208    H    LYS  32           H        LYS  32   6.989   6.964  -2.544
  209    HA   LYS  32           HA       LYS  32   9.744   6.027  -2.810
  210    HB2  LYS  32           2HB      LYS  32   7.676   5.532  -4.397
  211    HB3  LYS  32           1HB      LYS  32   8.165   7.053  -5.130
  212    HG2  LYS  32           2HG      LYS  32  10.398   6.145  -5.535
  213    HG3  LYS  32           1HG      LYS  32   9.910   4.619  -4.795
  214    HD2  LYS  32           2HD      LYS  32   8.198   4.332  -6.522
  215    HD3  LYS  32           1HD      LYS  32   8.686   5.859  -7.260
  216    HE2  LYS  32           2HE      LYS  32  10.918   4.941  -7.673
  217    HE3  LYS  32           1HE      LYS  32  10.427   3.416  -6.936
  218    HZ1  LYS  32           3HZ      LYS  32   9.242   4.616  -9.381
  219    HZ2  LYS  32           1HZ      LYS  32   8.767   3.153  -8.675
  220    HZ3  LYS  32           2HZ      LYS  32  10.312   3.308  -9.343
  221    H    SER  33           H        SER  33   7.800   8.949  -3.371
  222    HA   SER  33           HA       SER  33  10.260  10.499  -3.797
  223    HB2  SER  33           2HB      SER  33   7.380  11.221  -4.393
  224    HB3  SER  33           1HB      SER  33   8.777  12.247  -4.722
  225    HG   SER  33           HG       SER  33   9.224  11.089  -6.425
  226    H    SER  34           H        SER  34  10.794  12.210  -2.517
  227    HA   SER  34           HA       SER  34   9.276  12.490  -0.017
  228    HB2  SER  34           2HB      SER  34  11.397  13.515   0.862
  229    HB3  SER  34           1HB      SER  34  11.561  11.831   0.365
  230    HG   SER  34           HG       SER  34  12.102  13.828  -1.516
  231    H    ALA  35           H        ALA  35   8.564  14.443   0.711
  232    HA   ALA  35           HA       ALA  35   8.564  16.631  -1.242
  233    HB1  ALA  35           1HB      ALA  35   6.783  16.205   1.157
  234    HB2  ALA  35           2HB      ALA  35   6.377  15.804  -0.512
  235    HB3  ALA  35           3HB      ALA  35   6.622  17.487  -0.045