*HEADER    TOXIN                                   06-FEB-01   1I25              
*TITLE     THREE DIMENSIONAL SOLUTION STRUCTURE OF HUWENTOXIN-II BY 2D           
*TITLE    2 1H-NMR                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HUWENTOXIN-II;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: HWTX-II                                                     
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SELENOCOSMIA HUWENA;                            
*SOURCE   3 ORGANISM_COMMON: CHINESE BIRD HUNTING SPIDER;                        
*SOURCE   4 ORGAN: VENOM GLAND;                                                  
*SOURCE   5 OTHER_DETAILS: VENOM                                                 
*KEYWDS    NEUROTOXIN, INSECTICIDAL TOXIN, DISULFIDE BONDS                       
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    Q.SHU, S.Y.LU, X.C.GU, S.P.LIANG                                      
*REVDAT   1   14-FEB-01 1I25    0                                                
!intra-residue
assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 2.7 0.9 1.0
assign (resid    1 and  name HA   )(resid    1 and  name HG   ) 2.7 0.9 0.0
assign (resid    1 and  name HA   )(resid    1 and  name HD#  ) 3.5 1.7 2.4

assign (resid    2 and  name HN   )(resid    2 and  name HB#  ) 3.5 1.7 1.0
assign (resid    2 and  name HN   )(resid    2 and  name HD#  ) 5.0 3.2 2.4
assign (resid    2 and  name HD#  )(resid    2 and  name HA   ) 3.5 1.7 2.4
assign (resid    2 and  name HD#  )(resid    2 and  name HB#  ) 3.5 1.7 3.4
assign (resid    2 and  name HE#  )(resid    2 and  name HA   ) 6.0 4.2 2.4
assign (resid    2 and  name HE#  )(resid    2 and  name HB#  ) 6.0 4.2 3.4

assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 5.0 3.2 0.0
assign (resid    3 and  name HN   )(resid    3 and  name HB#  ) 2.7 0.9 1.0
assign (resid    3 and  name HN   )(resid    3 and  name HG#  ) 3.5 1.7 1.0
assign (resid    3 and  name HA   )(resid    3 and  name HB#  ) 2.7 0.9 1.0
assign (resid    3 and  name HA   )(resid    3 and  name HG#  ) 2.7 0.9 1.0

assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 3.5 1.7 0.0
assign (resid    4 and  name HN   )(resid    4 and  name HB#  ) 2.7 0.9 1.0
assign (resid    4 and  name HA   )(resid    4 and  name HB#  ) 2.7 0.9 1.0

assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 3.5 1.7 0.0
assign (resid    5 and  name HN   )(resid    5 and  name HB#  ) 2.7 0.9 1.0
assign (resid    5 and  name HA   )(resid    5 and  name HB#  ) 2.7 0.9 1.0

assign (resid    6 and  name HN   )(resid    6 and  name HB#  ) 2.7 0.9 1.0
assign (resid    6 and  name HN   )(resid    6 and  name HD#  ) 3.5 1.7 2.4
assign (resid    6 and  name HN   )(resid    6 and  name HE#  ) 5.0 1.5 2.4
assign (resid    6 and  name HA   )(resid    6 and  name HB#  ) 2.7 0.9 1.0
assign (resid    6 and  name HA   )(resid    6 and  name HD#  ) 2.7 0.9 2.4
assign (resid    6 and  name HA   )(resid    6 and  name HE#  ) 5.0 3.2 2.4
assign (resid    6 and  name HD#  )(resid    6 and  name HB#  ) 2.7 0.9 3.4
assign (resid    6 and  name HE#  )(resid    6 and  name HB#  ) 5.0 3.2 3.4

assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 3.5 1.7 0.0
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 2.7 0.9 1.0
assign (resid    7 and  name HA   )(resid    7 and  name HB#  ) 2.7 0.9 1.0 

assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 5.0 3.2 0.0
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 3.5 1.7 1.0
assign (resid    8 and  name HA   )(resid    8 and  name HB#  ) 2.7 0.9 1.0

assign (resid    9 and  name HN   )(resid    9 and  name HB#  ) 2.7 0.9 1.0
assign (resid    9 and  name HN   )(resid    9 and  name HG#  ) 3.5 1.7 1.0
assign (resid    9 and  name HB#  )(resid    9 and  name HA   ) 2.7 0.9 1.0
assign (resid    9 and  name HB#  )(resid    9 and  name HG#  ) 2.7 0.9 2.0

assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 3.5 1.7 0.0
assign (resid   10 and  name HN   )(resid   10 and  name HB   ) 2.7 0.9 0.0
assign (resid   10 and  name HN   )(resid   10 and  name HG1# ) 2.7 0.9 1.0
assign (resid   10 and  name HN   )(resid   10 and  name HG2# ) 3.5 1.7 1.0
assign (resid   10 and  name HN   )(resid   10 and  name HD1# ) 3.5 1.7 1.0
assign (resid   10 and  name HA   )(resid   10 and  name HB   ) 3.5 1.7 0.0
assign (resid   10 and  name HA   )(resid   10 and  name HG1# ) 2.7 0.9 1.0
assign (resid   10 and  name HA   )(resid   10 and  name HG2# ) 3.5 1.7 1.0
assign (resid   10 and  name HA   )(resid   10 and  name HD1# ) 5.0 3.2 1.0

assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 5.0 3.2 0.0
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 2.7 0.9 1.0
assign (resid   11 and  name HN   )(resid   11 and  name HG#  ) 3.5 1.7 1.0
assign (resid   11 and  name HB#  )(resid   11 and  name HG#  ) 2.7 0.9 2.0

assign (resid   12 and  name HN   )(resid   12 and  name HB#  ) 2.7 0.9 1.0
assign (resid   12 and  name HN   )(resid   12 and  name HG#  ) 5.0 3.2 1.0
assign (resid   12 and  name HN   )(resid   12 and  name HD#  ) 5.0 3.2 1.0
assign (resid   12 and  name HA   )(resid   12 and  name HB#  ) 2.7 0.9 1.0
assign (resid   12 and  name HA   )(resid   12 and  name HG#  ) 2.7 0.9 1.0
assign (resid   12 and  name HA   )(resid   12 and  name HD#  ) 3.5 1.7 1.0

assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 5.0 3.2 0.0
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 2.7 0.9 1.0
assign (resid   13 and  name HN   )(resid   13 and  name HG#  ) 3.5 1.7 1.0

assign (resid   14 and  name HN   )(resid   14 and  name HA#  ) 2.7 0.9 1.0

assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 3.5 1.7 0.0
assign (resid   15 and  name HN   )(resid   15 and  name HB#  ) 2.7 0.9 1.0

assign (resid   16 and  name HN   )(resid   16 and  name HB#  ) 2.7 0.9 1.0
assign (resid   16 and  name HN   )(resid   16 and  name HG#  ) 5.0 3.2 1.0
assign (resid   16 and  name HN   )(resid   16 and  name HD#  ) 5.0 3.2 1.0
assign (resid   16 and  name HA   )(resid   16 and  name HB#  ) 2.7 0.9 1.0
assign (resid   16 and  name HA   )(resid   16 and  name HG#  ) 2.7 0.9 1.0
assign (resid   16 and  name HA   )(resid   16 and  name HD#  ) 5.0 3.2 1.0

assign (resid   17 and  name HA   )(resid   17 and  name HB#  ) 2.7 0.9 1.0
assign (resid   17 and  name HA   )(resid   17 and  name HG#  ) 3.5 1.7 1.0
assign (resid   17 and  name HA   )(resid   17 and  name HD#  ) 3.5 1.7 1.0
assign (resid   17 and  name HB#  )(resid   17 and  name HG#  ) 2.7 0.9 2.0
assign (resid   17 and  name HB#  )(resid   17 and  name HD#  ) 5.0 3.2 2.0
assign (resid   17 and  name HG#  )(resid   17 and  name HD#  ) 2.7 0.9 2.0

assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 5.0 3.2 0.0
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 5.0 3.2 1.0
assign (resid   18 and  name HA   )(resid   18 and  name HB#  ) 2.7 0.9 1.0

assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 3.5 1.7 0.0
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 2.7 0.9 1.0
assign (resid   19 and  name HN   )(resid   19 and  name HG#  ) 5.0 3.2 1.0
assign (resid   19 and  name HN   )(resid   19 and  name HD#  ) 5.0 3.2 1.0
assign (resid   19 and  name HA   )(resid   19 and  name HB#  ) 2.7 0.9 1.0 
assign (resid   19 and  name HA   )(resid   19 and  name HG#  ) 2.7 0.9 1.0 
assign (resid   19 and  name HA   )(resid   19 and  name HD#  ) 3.5 1.7 1.0 

assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 3.5 1.7 0.0
assign (resid   20 and  name HN   )(resid   20 and  name HB#  ) 2.7 0.9 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HG#  ) 3.5 1.7 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HD#  ) 5.0 3.2 1.0
assign (resid   20 and  name HN   )(resid   20 and  name HE#  ) 5.0 3.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HB#  ) 2.7 0.9 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HG#  ) 3.5 1.7 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HD#  ) 5.0 3.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HE#  ) 6.0 4.2 1.0
assign (resid   20 and  name HB#  )(resid   20 and  name HE#  ) 3.5 1.7 2.0
assign (resid   20 and  name HG#  )(resid   20 and  name HE#  ) 2.7 0.9 2.0

assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 3.5 1.7 0.0
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 2.7 0.9 1.0
assign (resid   21 and  name HN   )(resid   21 and  name HG#  ) 3.5 1.7 1.0
assign (resid   21 and  name HN   )(resid   21 and  name HD#  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HB#  ) 2.7 0.9 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HG#  ) 3.5 1.7 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HD#  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HE#  ) 5.0 3.2 1.0

assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 3.5 1.7 0.0
assign (resid   22 and  name HN   )(resid   22 and  name HB#  ) 2.7 0.9 1.0
assign (resid   22 and  name HN   )(resid   22 and  name HG#  ) 3.5 1.7 1.0
assign (resid   22 and  name HN   )(resid   22 and  name HD#  ) 5.0 3.2 1.0

assign (resid   23 and  name HN   )(resid   23 and  name HB#  ) 2.7 0.9 1.0
assign (resid   23 and  name HA   )(resid   23 and  name HB#  ) 2.7 0.9 1.0

assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 3.5 1.7 0.0
assign (resid   24 and  name HN   )(resid   24 and  name HB#  ) 2.7 0.9 1.0
assign (resid   24 and  name HN   )(resid   24 and  name HG#  ) 3.5 1.7 1.0
assign (resid   24 and  name HN   )(resid   24 and  name HD#  ) 5.0 3.2 1.0
assign (resid   24 and  name HN   )(resid   24 and  name HE#  ) 5.0 3.2 1.0
assign (resid   24 and  name HA   )(resid   24 and  name HB#  ) 2.7 0.9 1.0
assign (resid   24 and  name HA   )(resid   24 and  name HG#  ) 3.5 1.7 1.0
assign (resid   24 and  name HA   )(resid   24 and  name HD#  ) 3.5 1.7 1.0

assign (resid   25 and  name HN   )(resid   25 and  name HA#  ) 2.7 0.9 1.0

assign (resid   26 and  name HN   )(resid   26 and  name HA#  ) 2.7 0.9 1.0

assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 3.5 1.7 0.0
assign (resid   27 and  name HN   )(resid   27 and  name HB#  ) 2.7 0.9 1.0
assign (resid   27 and  name HA   )(resid   27 and  name HB#  ) 2.7 0.9 1.0
assign (resid   27 and  name HE1  )(resid   27 and  name HD1  ) 2.7 0.9 0.0
assign (resid   27 and  name HD1  )(resid   27 and  name HB# ) 2.7 0.9 1.0
assign (resid   27 and  name HD1  )(resid   27 and  name HA  ) 5.0 3.2 0.0
assign (resid   27 and  name HD1  )(resid   27 and  name HN  ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   27 and  name HB#  ) 3.5 1.7 1.0

assign (resid   28 and  name HN   )(resid   28 and  name HB#  ) 2.7 0.9 1.0
assign (resid   28 and  name HN   )(resid   28 and  name HG#  ) 5.0 3.2 1.0
assign (resid   28 and  name HN   )(resid   28 and  name HD#  ) 5.0 3.2 1.0
assign (resid   28 and  name HA   )(resid   28 and  name HB#  ) 2.7 0.9 1.0
assign (resid   28 and  name HA   )(resid   28 and  name HG#  ) 2.7 0.9 1.0
assign (resid   28 and  name HA   )(resid   28 and  name HD#  ) 3.5 1.7 1.0
assign (resid   28 and  name HA   )(resid   28 and  name HE#  ) 5.0 3.2 1.0

assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 5.0 3.2 0.0
assign (resid   29 and  name HN   )(resid   29 and  name HB#  ) 2.7 0.9 1.0
assign (resid   29 and  name HA   )(resid   29 and  name HB#  ) 2.7 0.9 1.0

assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 3.5 1.7 0.0
assign (resid   30 and  name HN   )(resid   30 and  name HB#  ) 2.7 0.9 1.0
assign (resid   30 and  name HN   )(resid   30 and  name HG#  ) 3.5 1.7 1.0
assign (resid   30 and  name HN   )(resid   30 and  name HD#  ) 5.0 3.2 1.0

assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 3.5 1.7 0.0
assign (resid   31 and  name HN   )(resid   31 and  name HB#  ) 3.5 1.7 1.0
assign (resid   31 and  name HN   )(resid   31 and  name HD#  ) 5.0 3.2 2.4
assign (resid   31 and  name HN   )(resid   31 and  name HE#  ) 5.0 3.2 2.4
assign (resid   31 and  name HD#  )(resid   31 and  name HA   ) 2.7 0.9 2.4
assign (resid   31 and  name HD#  )(resid   31 and  name HB#  ) 2.7 0.9 3.4
assign (resid   31 and  name HE#  )(resid   31 and  name HA   ) 5.0 3.2 2.4
assign (resid   31 and  name HE#  )(resid   31 and  name HB#  ) 5.0 3.2 3.4

assign (resid   32 and  name HN   )(resid   32 and  name HA   ) 3.5 1.7 0.0
assign (resid   32 and  name HN   )(resid   32 and  name HB#  ) 2.7 0.9 1.0
assign (resid   32 and  name HA   )(resid   32 and  name HB#  ) 2.7 0.9 1.0
assign (resid   32 and  name HD2# )(resid   32 and  name HB#  ) 3.5 1.7 2.0
assign (resid   32 and  name HD2# )(resid   32 and  name HA   ) 5.0 3.2 1.0

assign (resid   33 and  name HN   )(resid   33 and  name HA   ) 3.5 1.7 0.0
assign (resid   33 and  name HN   )(resid   33 and  name HB#  ) 2.7 0.9 1.0
assign (resid   33 and  name HN   )(resid   33 and  name HG#  ) 5.0 3.2 1.0
assign (resid   33 and  name HA   )(resid   33 and  name HB#  ) 2.7 0.9 1.0
assign (resid   33 and  name HA   )(resid   33 and  name HG#  ) 2.7 0.9 1.0
assign (resid   33 and  name HA   )(resid   33 and  name HE#  ) 5.0 3.2 2.4

assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 3.5 1.7 0.0
assign (resid   34 and  name HN   )(resid   34 and  name HB#  ) 2.7 0.9 1.0
assign (resid   34 and  name HA   )(resid   34 and  name HB#  ) 2.7 0.9 1.0

assign (resid   35 and  name HN   )(resid   35 and  name HB   ) 3.5 1.7 0.0
assign (resid   35 and  name HN   )(resid   35 and  name HG#  ) 2.7 0.9 2.4

assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 3.5 1.7 0.0
assign (resid   36 and  name HN   )(resid   36 and  name HB#  ) 2.7 0.9 1.0
assign (resid   36 and  name HN   )(resid   36 and  name HG#  ) 3.5 1.7 1.0
assign (resid   36 and  name HN   )(resid   36 and  name HD#  ) 5.0 3.2 1.0
assign (resid   36 and  name HN   )(resid   36 and  name HE#  ) 6.0 4.2 1.0
assign (resid   36 and  name HA   )(resid   36 and  name HB#  ) 2.7 0.9 1.0
assign (resid   36 and  name HA   )(resid   36 and  name HG#  ) 2.7 0.9 1.0
assign (resid   36 and  name HA   )(resid   36 and  name HD#  ) 3.5 1.7 1.0

assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 3.5 1.7 0.0
assign (resid   37 and  name HN   )(resid   37 and  name HB   ) 2.7 0.9 0.0
assign (resid   37 and  name HN   )(resid   37 and  name HG#  ) 3.5 1.7 2.4 
assign (resid   37 and  name HA   )(resid   37 and  name HB   ) 2.7 0.9 0.0
assign (resid   37 and  name HA   )(resid   37 and  name HG#  ) 3.5 1.7 2.4 

!sequential
assign (resid    2 and  name HN   )(resid    1 and  name HA   ) 2.7 0.9 0.0
assign (resid    2 and  name HN   )(resid    1 and  name HB#  ) 5.0 3.2 1.0
assign (resid    2 and  name HN   )(resid    1 and  name HG   ) 5.0 3.2 0.0
assign (resid    2 and  name HN   )(resid    1 and  name HD#  ) 5.0 3.2 2.4
assign (resid    2 and  name HD#  )(resid    1 and  name HA   ) 5.0 3.2 2.4
assign (resid    2 and  name HD#  )(resid    1 and  name HD#  ) 5.0 3.2 4.8
assign (resid    2 and  name HD#  )(resid    3 and  name HB#  ) 5.0 3.2 3.4
assign (resid    2 and  name HD#  )(resid    3 and  name HA   ) 5.0 3.2 2.4
assign (resid    2 and  name HE#  )(resid    3 and  name HB#  ) 6.0 4.2 3.4

assign (resid    3 and  name HN   )(resid    2 and  name HB#  ) 3.5 1.7 1.0
assign (resid    3 and  name HN   )(resid    2 and  name HD#  ) 5.0 3.2 2.4
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 5.0 3.2 0.0

assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 3.5 1.7 0.0
assign (resid    4 and  name HN   )(resid    3 and  name HB#  ) 3.5 1.7 1.0
assign (resid    4 and  name HN   )(resid    3 and  name HG#  ) 3.5 1.7 1.0
assign (resid    4 and  name HN   )(resid    5 and  name HN   ) 5.0 3.2 0.0
assign (resid    4 and  name HA   )(resid    5 and  name HA   ) 5.0 3.2 0.0

assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 2.7 0.9 0.0
assign (resid    5 and  name HN   )(resid    4 and  name HB#  ) 3.5 1.7 1.0
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 2.7 0.9 0.0
assign (resid    5 and  name HN   )(resid    6 and  name HD#  ) 5.0 3.2 2.4
assign (resid    5 and  name HA   )(resid    6 and  name HA   ) 5.0 3.2 0.0

assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 5.0 3.2 0.0
assign (resid    6 and  name HN   )(resid    5 and  name HB#  ) 3.5 1.7 1.0
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 2.7 0.9 0.0
assign (resid    6 and  name HN   )(resid    7 and  name HB#  ) 6.0 4.2 1.0
assign (resid    6 and  name HA   )(resid    5 and  name HB#  ) 5.0 3.2 1.0
assign (resid    6 and  name HD#  )(resid    5 and  name HB#  ) 5.0 3.2 3.4
assign (resid    6 and  name HD#  )(resid    7 and  name HB#  ) 5.0 3.2 3.4
assign (resid    6 and  name HE#  )(resid    5 and  name HB#  ) 6.0 4.2 3.4

assign (resid    7 and  name HN   )(resid    6 and  name HB#  ) 3.5 1.7 1.0
assign (resid    7 and  name HN   )(resid    6 and  name HD#  ) 3.5 1.7 2.4
assign (resid    7 and  name HN   )(resid    6 and  name HE#  ) 5.0 3.2 2.4
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 5.0 3.2 0.0
assign (resid    7 and  name HA   )(resid    6 and  name HD#  ) 6.0 4.2 2.4
assign (resid    7 and  name HA   )(resid    8 and  name HA   ) 5.0 3.2 0.0

assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 5.0 3.2 0.0
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 2.7 0.9 0.0
assign (resid    8 and  name HN   )(resid    9 and  name HB#  ) 5.0 3.2 1.0
assign (resid    8 and  name HA   )(resid    9 and  name HA   ) 5.0 3.2 0.0

assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 5.0 3.2 0.0
assign (resid    9 and  name HN   )(resid    8 and  name HB#  ) 5.0 3.2 1.0
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 2.7 0.9 0.0
assign (resid    9 and  name HN   )(resid   10 and  name HB   ) 5.0 3.2 0.0
assign (resid    9 and  name HN   )(resid   10 and  name HG1# ) 5.0 3.2 1.0
assign (resid    9 and  name HN   )(resid   10 and  name HD1# ) 6.0 4.2 1.0
assign (resid    9 and  name HB#  )(resid   10 and  name HB   ) 5.0 3.2 1.0
assign (resid    9 and  name HB#  )(resid   10 and  name HG1# ) 5.0 3.2 2.0
assign (resid    9 and  name HB#  )(resid   10 and  name HG2# ) 6.0 4.2 2.0
assign (resid    9 and  name HB#  )(resid   10 and  name HD1# ) 6.0 4.2 2.0
assign (resid    9 and  name HG#  )(resid   10 and  name HB   ) 6.0 4.2 1.0
assign (resid    9 and  name HG#  )(resid   10 and  name HG1# ) 5.0 3.2 2.0
assign (resid    9 and  name HG#  )(resid   10 and  name HG2# ) 6.0 4.2 2.0
assign (resid    9 and  name HG#  )(resid   10 and  name HD1# ) 6.0 4.2 2.0

assign (resid   10 and  name HN   )(resid    9 and  name HB#  ) 2.7 0.9 1.0
assign (resid   10 and  name HN   )(resid    9 and  name HG#  ) 5.0 3.2 1.0
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 5.0 3.2 0.0
assign (resid   10 and  name HA   )(resid    9 and  name HA   ) 5.0 3.2 0.0
assign (resid   10 and  name HA   )(resid    9 and  name HB#  ) 5.0 3.2 1.0
assign (resid   10 and  name HA   )(resid    9 and  name HG#  ) 5.0 3.2 1.0
assign (resid   10 and  name HA   )(resid   11 and  name HA   ) 5.0 3.2 0.0
assign (resid   10 and  name HA   )(resid   11 and  name HB#  ) 5.0 3.2 1.0
assign (resid   10 and  name HA   )(resid   11 and  name HG#  ) 5.0 3.2 1.0

assign (resid   11 and  name HN   )(resid   10 and  name HA   ) 5.0 3.2 0.0
assign (resid   11 and  name HN   )(resid   10 and  name HB   ) 5.0 3.2 0.0
assign (resid   11 and  name HN   )(resid   10 and  name HG1# ) 5.0 3.2 1.0
assign (resid   11 and  name HN   )(resid   10 and  name HG2# ) 3.5 1.7 1.0
assign (resid   11 and  name HN   )(resid   10 and  name HD1# ) 6.0 4.2 1.0
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 3.5 1.7 0.0
assign (resid   11 and  name HB#  )(resid   12 and  name HA   ) 5.0 3.2 1.0

assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 5.0 3.2 0.0
assign (resid   12 and  name HN   )(resid   11 and  name HB#  ) 5.0 3.2 1.0
assign (resid   12 and  name HN   )(resid   11 and  name HG#  ) 5.0 3.2 1.0
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 5.0 3.2 0.0
assign (resid   12 and  name HA   )(resid   13 and  name HA   ) 5.0 3.2 0.0

assign (resid   13 and  name HN   )(resid   12 and  name HB#  ) 3.5 1.7 1.0
assign (resid   13 and  name HN   )(resid   12 and  name HG#  ) 5.0 3.2 1.0
assign (resid   13 and  name HN   )(resid   12 and  name HD#  ) 5.0 3.2 1.0
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 5.0 3.2 0.0

assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 5.0 3.2 0.0
assign (resid   14 and  name HN   )(resid   13 and  name HB#  ) 3.5 1.7 1.0
assign (resid   14 and  name HN   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 5.0 3.2 0.0
assign (resid   14 and  name HA#  )(resid   15 and  name HA   ) 5.0 3.2 1.0

assign (resid   15 and  name HN   )(resid   14 and  name HA#  ) 2.7 0.9 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 2.7 0.9 0.0
assign (resid   15 and  name HN   )(resid   16 and  name HB#  ) 5.0 3.2 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HG#  ) 6.0 4.2 1.0

assign (resid   16 and  name HN   )(resid   15 and  name HA   ) 5.0 3.2 0.0
assign (resid   16 and  name HN   )(resid   15 and  name HB#  ) 3.5 1.7 1.0
assign (resid   16 and  name HN   )(resid   17 and  name HG#  ) 6.0 4.2 1.0
assign (resid   16 and  name HN   )(resid   17 and  name HD#  ) 6.0 4.2 1.0
assign (resid   16 and  name HA   )(resid   15 and  name HA   ) 5.0 3.2 0.0
assign (resid   16 and  name HA   )(resid   15 and  name HB#  ) 5.0 3.2 1.0
assign (resid   16 and  name HA   )(resid   17 and  name HG#  ) 3.5 1.7 1.0
assign (resid   16 and  name HA   )(resid   17 and  name HD#  ) 2.7 0.9 1.0

assign (resid   17 and  name HA   )(resid   18 and  name HA   ) 5.0 3.2 0.0
assign (resid   17 and  name HA   )(resid   18 and  name HB#  ) 5.0 3.2 1.0
assign (resid   17 and  name HD#  )(resid   16 and  name HG#  ) 5.0 3.2 2.0
assign (resid   17 and  name HD#  )(resid   16 and  name HD#  ) 5.0 3.2 2.0

assign (resid   18 and  name HN   )(resid   17 and  name HB#  ) 5.0 3.2 1.0
assign (resid   18 and  name HN   )(resid   17 and  name HG#  ) 5.0 3.2 1.0
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 5.0 3.2 0.0
assign (resid   18 and  name HA   )(resid   17 and  name HB#  ) 5.0 3.2 1.0
assign (resid   18 and  name HA   )(resid   17 and  name HG#  ) 6.0 4.2 1.0
assign (resid   18 and  name HA   )(resid   19 and  name HA   ) 5.0 3.2 0.0
assign (resid   18 and  name HA   )(resid   19 and  name HB#  ) 5.0 3.2 1.0

assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 2.7 0.9 0.0
assign (resid   19 and  name HN   )(resid   18 and  name HB#  ) 2.7 0.9 1.0
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 5.0 3.2 0.0
assign (resid   19 and  name HA   )(resid   18 and  name HB#  ) 5.0 3.2 1.0 

assign (resid   20 and  name HN   )(resid   19 and  name HA   ) 2.7 0.9 0.0
assign (resid   20 and  name HN   )(resid   19 and  name HB#  ) 3.5 1.7 1.0
assign (resid   20 and  name HN   )(resid   19 and  name HG#  ) 3.5 1.7 1.0
assign (resid   20 and  name HN   )(resid   19 and  name HD#  ) 5.0 3.2 1.0
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 5.0 3.2 0.0
assign (resid   20 and  name HA   )(resid   21 and  name HA   ) 5.0 3.2 0.0

assign (resid   21 and  name HN   )(resid   20 and  name HA   ) 2.7 0.9 0.0
assign (resid   21 and  name HN   )(resid   20 and  name HB#  ) 3.5 1.7 1.0
assign (resid   21 and  name HN   )(resid   20 and  name HG#  ) 5.0 3.2 1.0
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 5.0 3.2 0.0

assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 2.7 0.9 0.0
assign (resid   22 and  name HN   )(resid   21 and  name HB#  ) 3.5 1.7 1.0
assign (resid   22 and  name HN   )(resid   21 and  name HG#  ) 3.5 1.7 1.0
assign (resid   22 and  name HN   )(resid   21 and  name HD#  ) 5.0 3.2 1.0
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 5.0 3.2 0.0

assign (resid   23 and  name HN   )(resid   22 and  name HA   ) 2.7 0.9 0.0
assign (resid   23 and  name HN   )(resid   22 and  name HB#  ) 3.5 1.7 1.0
assign (resid   23 and  name HN   )(resid   22 and  name HG#  ) 5.0 3.2 1.0
assign (resid   23 and  name HN   )(resid   22 and  name HD#  ) 5.0 3.2 1.0
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 5.0 3.2 0.0
assign (resid   23 and  name HA   )(resid   24 and  name HA   ) 5.0 3.2 0.0
assign (resid   23 and  name HA   )(resid   24 and  name HB#  ) 5.0 3.2 1.0
assign (resid   23 and  name HA   )(resid   24 and  name HG#  ) 5.0 3.2 1.0
assign (resid   23 and  name HA   )(resid   22 and  name HA   ) 5.0 3.2 0.0

assign (resid   24 and  name HN   )(resid   23 and  name HA   ) 3.5 1.7 0.0
assign (resid   24 and  name HN   )(resid   23 and  name HB#  ) 2.7 0.9 1.0
assign (resid   24 and  name HA   )(resid   25 and  name HA#  ) 5.0 3.2 1.0

assign (resid   25 and  name HN   )(resid   24 and  name HN   ) 5.0 3.2 0.0
assign (resid   25 and  name HN   )(resid   24 and  name HA   ) 2.7 0.9 0.0
assign (resid   25 and  name HN   )(resid   24 and  name HB#  ) 2.7 0.9 1.0
assign (resid   25 and  name HN   )(resid   24 and  name HG#  ) 5.0 3.2 1.0
assign (resid   25 and  name HN   )(resid   24 and  name HD#  ) 5.0 3.2 1.0
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 5.0 3.2 0.0

assign (resid   26 and  name HN   )(resid   25 and  name HA#  ) 2.7 0.9 1.0
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 3.5 1.7 0.0

assign (resid   27 and  name HN   )(resid   26 and  name HA#  ) 5.0 3.2 1.0
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HA   )(resid   26 and  name HA#  ) 3.5 1.7 1.0
assign (resid   27 and  name HA   )(resid   28 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HA   )(resid   28 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HD1  )(resid   25 and  name HA#  ) 5.0 3.2 1.0
assign (resid   27 and  name HD1  )(resid   26 and  name HA#  ) 3.5 1.7 1.0
assign (resid   27 and  name HD1  )(resid   26 and  name HN   ) 3.5 1.7 0.0
assign (resid   27 and  name HE3  )(resid   28 and  name HN   ) 5.0 3.2 0.0

assign (resid   28 and  name HN   )(resid   27 and  name HA   ) 2.7 0.9 0.0
assign (resid   28 and  name HN   )(resid   27 and  name HB#  ) 3.5 1.7 1.0
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 5.0 3.2 0.0
assign (resid   28 and  name HA   )(resid   29 and  name HA   ) 5.0 3.2 0.0
assign (resid   28 and  name HA   )(resid   27 and  name HB#  ) 5.0 3.2 1.0

assign (resid   29 and  name HN   )(resid   28 and  name HB#  ) 3.5 1.7 1.0
assign (resid   29 and  name HN   )(resid   28 and  name HG#  ) 5.0 3.2 1.0
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 5.0 3.2 0.0
assign (resid   29 and  name HA   )(resid   28 and  name HB#  ) 5.0 3.2 1.0
assign (resid   29 and  name HA   )(resid   30 and  name HA   ) 5.0 3.2 0.0

assign (resid   30 and  name HN   )(resid   29 and  name HA   ) 2.7 0.9 0.0
assign (resid   30 and  name HN   )(resid   29 and  name HB#  ) 3.5 1.7 1.0
assign (resid   30 and  name HN   )(resid   31 and  name HN   ) 5.0 3.2 0.0

assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 3.5 1.7 0.0
assign (resid   31 and  name HN   )(resid   30 and  name HA   ) 3.5 1.7 0.0
assign (resid   31 and  name HN   )(resid   30 and  name HB#  ) 3.5 1.7 1.0
assign (resid   31 and  name HN   )(resid   30 and  name HG#  ) 3.5 1.7 1.0
assign (resid   31 and  name HN   )(resid   30 and  name HD#  ) 5.0 3.2 1.0
assign (resid   31 and  name HD#  )(resid   30 and  name HA   ) 5.0 3.2 2.4
assign (resid   31 and  name HD#  )(resid   30 and  name HB#  ) 3.5 1.7 3.4
assign (resid   31 and  name HD#  )(resid   30 and  name HG#  ) 5.0 3.2 3.4
assign (resid   31 and  name HD#  )(resid   30 and  name HE#  ) 5.0 3.2 3.4
assign (resid   31 and  name HE#  )(resid   30 and  name HA   ) 5.0 3.2 2.4
assign (resid   31 and  name HE#  )(resid   30 and  name HB#  ) 5.0 3.2 3.4
assign (resid   31 and  name HE#  )(resid   30 and  name HG#  ) 5.0 3.2 3.4
assign (resid   31 and  name HE#  )(resid   30 and  name HE#  ) 5.0 3.2 3.4

assign (resid   32 and  name HN   )(resid   31 and  name HA   ) 5.0 3.2 0.0
assign (resid   32 and  name HN   )(resid   31 and  name HB#  ) 3.5 1.7 1.0
assign (resid   32 and  name HN   )(resid   31 and  name HD#  ) 5.0 3.2 2.4
assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 2.7 0.9 0.0
assign (resid   32 and  name HA   )(resid   33 and  name HA   ) 5.0 3.2 0.0

assign (resid   33 and  name HN   )(resid   32 and  name HA   ) 3.5 1.7 0.0
assign (resid   33 and  name HN   )(resid   32 and  name HB#  ) 3.5 1.7 1.0
assign (resid   33 and  name HN   )(resid   34 and  name HN   ) 5.0 3.2 0.0

assign (resid   34 and  name HN   )(resid   33 and  name HA   ) 3.5 1.7 0.0 
assign (resid   34 and  name HN   )(resid   33 and  name HB#  ) 3.5 1.7 1.0
assign (resid   34 and  name HN   )(resid   33 and  name HG#  ) 5.0 3.2 1.0
assign (resid   34 and  name HN   )(resid   33 and  name HE#  ) 6.0 4.2 2.4
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 5.0 3.2 0.0
assign (resid   34 and  name HA   )(resid   33 and  name HE#  ) 6.0 4.2 2.4

assign (resid   35 and  name HN   )(resid   34 and  name HA   ) 2.7 0.9 0.0
assign (resid   35 and  name HN   )(resid   34 and  name HB#  ) 3.5 1.7 1.0
assign (resid   35 and  name HN   )(resid   36 and  name HN   ) 5.0 3.2 0.0
assign (resid   35 and  name HG#  )(resid   34 and  name HA   ) 5.0 3.2 2.4

assign (resid   36 and  name HN   )(resid   35 and  name HB   ) 5.0 3.2 0.0 
assign (resid   36 and  name HN   )(resid   35 and  name HG#  ) 3.5 1.7 2.4
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 5.0 3.2 0.0
assign (resid   36 and  name HA   )(resid   35 and  name HG#  ) 5.0 3.2 2.4
assign (resid   36 and  name HA   )(resid   37 and  name HB   ) 5.0 3.2 0.0
assign (resid   36 and  name HA   )(resid   37 and  name HG#  ) 5.0 3.2 2.4

assign (resid   37 and  name HN   )(resid   36 and  name HA   ) 2.7 0.9 0.0
assign (resid   37 and  name HN   )(resid   36 and  name HB#  ) 3.5 1.7 1.0
assign (resid   37 and  name HN   )(resid   36 and  name HG#  ) 3.5 1.7 1.0
assign (resid   37 and  name HN   )(resid   36 and  name HD#  ) 5.0 3.2 1.0
assign (resid   37 and  name HN   )(resid   36 and  name HE#  ) 6.0 4.2 1.0
assign (resid   37 and  name HG#  )(resid   36 and  name HN   ) 6.0 4.2 2.4
assign (resid   37 and  name HA   )(resid   36 and  name HA   ) 5.0 3.2 0.0

!Middle range
assign (resid    2 and  name HD#  )(resid    4 and  name HA   ) 6.0 4.2 2.4

assign (resid    4 and  name HB#  )(resid    7 and  name HB#  ) 3.5 1.7 2.0

assign (resid    5 and  name HN   )(resid    7 and  name HN   ) 5.0 3.2 0.0

assign (resid    6 and  name HN   )(resid    4 and  name HA   ) 5.0 3.2 0.0
assign (resid    6 and  name HN   )(resid    4 and  name HB#  ) 5.0 3.2 1.0

assign (resid    7 and  name HN   )(resid    4 and  name HA   ) 5.0 3.2 0.0
assign (resid    7 and  name HN   )(resid    4 and  name HB#  ) 5.0 3.2 1.0 
assign (resid    7 and  name HN   )(resid    5 and  name HA   ) 6.0 4.2 0.0
assign (resid    7 and  name HN   )(resid    5 and  name HB#  ) 5.0 3.2 1.0
assign (resid    7 and  name HA   )(resid    4 and  name HB#  ) 5.0 3.2 1.0 

assign (resid    8 and  name HN   )(resid   10 and  name HN   ) 5.0 3.2 0.0

assign (resid   10 and  name HN   )(resid   12 and  name HN   ) 6.0 4.2 0.0

assign (resid   12 and  name HN   )(resid   10 and  name HA   ) 6.0 4.2 0.0
assign (resid   12 and  name HN   )(resid   10 and  name HB   ) 5.0 3.2 0.0
assign (resid   12 and  name HN   )(resid   10 and  name HG2# ) 2.7 0.9 2.4
assign (resid   12 and  name HN   )(resid   10 and  name HD1# ) 5.0 3.2 2.4

assign (resid   13 and  name HN   )(resid   15 and  name HN   ) 5.0 3.2 0.0
assign (resid   13 and  name HN   )(resid   16 and  name HN   ) 5.0 3.2 0.0

assign (resid   14 and  name HN   )(resid   16 and  name HN   ) 5.0 3.2 0.0

assign (resid   15 and  name HN   )(resid   13 and  name HB#  ) 6.0 4.2 1.0

assign (resid   16 and  name HN   )(resid   14 and  name HA#  ) 5.0 3.2 1.0
assign (resid   16 and  name HN   )(resid   13 and  name HA   ) 6.0 4.2 0.0

assign (resid   23 and  name HN   )(resid   27 and  name HB#  ) 6.0 4.2 1.0
assign (resid   23 and  name HA   )(resid   27 and  name HB#  ) 5.0 3.2 1.0
assign (resid   23 and  name HA   )(resid   21 and  name HG#  ) 6.0 4.2 1.0
assign (resid   23 and  name HA   )(resid   21 and  name HE#  ) 6.0 4.2 1.0
assign (resid   23 and  name HB#  )(resid   27 and  name HB#  ) 5.0 3.2 2.0

assign (resid   24 and  name HN   )(resid   27 and  name HN   ) 5.0 3.2 0.0
assign (resid   24 and  name HN   )(resid   27 and  name HB#  ) 3.5 1.7 1.0

assign (resid   25 and  name HN   )(resid   27 and  name HN   ) 5.0 3.2 0.0

assign (resid   26 and  name HN   )(resid   24 and  name HA   ) 6.0 4.2 0.0

assign (resid   27 and  name HN   )(resid   24 and  name HA   ) 6.0 4.2 0.0
assign (resid   27 and  name HN   )(resid   23 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HN   )(resid   25 and  name HA#  ) 5.0 3.2 1.0

assign (resid   27 and  name HE1  )(resid   24 and  name HB#  ) 3.5 1.7 1.0
assign (resid   27 and  name HE1  )(resid   24 and  name HG#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE1  )(resid   24 and  name HD#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE1  )(resid   24 and  name HE#  ) 5.0 3.2 1.0

assign (resid   27 and  name HD1  )(resid   24 and  name HN  ) 5.0 3.2 0.0
assign (resid   27 and  name HD1  )(resid   24 and  name HA  ) 5.0 3.2 0.0
assign (resid   27 and  name HD1  )(resid   25 and  name HN  ) 5.0 3.2 0.0
assign (resid   27 and  name HD1  )(resid   24 and  name HB# ) 3.5 1.7 1.0
assign (resid   27 and  name HD1  )(resid   24 and  name HG# ) 5.0 3.2 1.0 
assign (resid   27 and  name HD1  )(resid   24 and  name HE# ) 5.0 3.2 1.0 

assign (resid   30 and  name HN   )(resid   32 and  name HN   ) 5.0 3.2 0.0
assign (resid   30 and  name HN   )(resid   33 and  name HN   ) 3.5 1.7 0.0

assign (resid   31 and  name HN   )(resid   33 and  name HN   ) 5.0 3.2 0.0

assign (resid   32 and  name HN   )(resid   30 and  name HA   ) 6.0 4.2 0.0

assign (resid   33 and  name HN   )(resid   30 and  name HA   ) 5.0 3.2 0.0
assign (resid   33 and  name HN   )(resid   31 and  name HA   ) 5.0 3.2 0.0
assign (resid   33 and  name HN   )(resid   31 and  name HB#  ) 5.0 3.2 1.0

assign (resid   35 and  name HG#  )(resid   33 and  name HG#  ) 5.0 3.2 3.4

assign (resid   37 and  name HN   )(resid   35 and  name HG#  ) 6.0 4.2 2.4
assign (resid   37 and  name HA   )(resid   35 and  name HG#  ) 5.0 3.2 2.4

!Long range
assign (resid    2 and  name HD#  )(resid   18 and  name HB#  ) 6.0 4.2 3.4
assign (resid    2 and  name HD#  )(resid   18 and  name HA   ) 6.0 4.2 2.4
assign (resid    2 and  name HE#  )(resid   16 and  name HE#  ) 6.0 4.2 3.4

assign (resid    3 and  name HN   )(resid   19 and  name HN   ) 6.0 4.2 0.0
assign (resid    3 and  name HA   )(resid   18 and  name HB#  ) 5.0 3.2 1.0
assign (resid    3 and  name HA   )(resid   19 and  name HB#  ) 3.5 1.7 1.0
assign (resid    3 and  name HA   )(resid   19 and  name HG#  ) 5.0 3.2 1.0
assign (resid    3 and  name HA   )(resid   19 and  name HD#  ) 5.0 3.2 1.0

assign (resid    4 and  name HN   )(resid   18 and  name HB#  ) 3.5 1.7 1.0
assign (resid    4 and  name HN   )(resid   19 and  name HN   ) 5.0 3.2 0.0
assign (resid    4 and  name HN   )(resid   19 and  name HB#  ) 5.0 3.2 1.0
assign (resid    4 and  name HN   )(resid   20 and  name HA   ) 5.0 3.2 0.0
assign (resid    4 and  name HN   )(resid   21 and  name HN   ) 5.0 3.2 0.0
assign (resid    4 and  name HA   )(resid   13 and  name HB#  ) 5.0 3.2 1.0
assign (resid    4 and  name HA   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid    4 and  name HA   )(resid   18 and  name HB#  ) 2.7 0.9 1.0
assign (resid    4 and  name HA   )(resid   18 and  name HA   ) 6.0 4.2 0.0
assign (resid    4 and  name HB#  )(resid   13 and  name HB#  ) 5.0 3.2 2.0
assign (resid    4 and  name HB#  )(resid   13 and  name HG#  ) 5.0 3.2 2.0
assign (resid    4 and  name HB#  )(resid   18 and  name HB#  ) 5.0 3.2 2.0

assign (resid    5 and  name HN   )(resid   13 and  name HB#  ) 5.0 3.2 1.0
assign (resid    5 and  name HN   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid    5 and  name HN   )(resid   18 and  name HB#  ) 5.0 3.2 1.0
assign (resid    5 and  name HA   )(resid   21 and  name HB#  ) 5.0 3.2 1.0
assign (resid    5 and  name HA   )(resid   21 and  name HG#  ) 5.0 3.2 1.0
assign (resid    5 and  name HA   )(resid   21 and  name HD#  ) 5.0 3.2 1.0

assign (resid    6 and  name HN   )(resid   13 and  name HB#  ) 5.0 3.2 1.0
assign (resid    6 and  name HN   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid    6 and  name HD#  )(resid   13 and  name HB#  ) 5.0 3.2 3.4
assign (resid    6 and  name HD#  )(resid   13 and  name HG#  ) 5.0 3.2 3.4
assign (resid    6 and  name HE#  )(resid   13 and  name HB#  ) 6.0 4.2 3.4
assign (resid    6 and  name HE#  )(resid   13 and  name HG#  ) 5.0 3.2 3.4
assign (resid    6 and  name HE#  )(resid   13 and  name HA   ) 6.0 4.2 2.4

assign (resid    7 and  name HN   )(resid   13 and  name HB#  ) 5.0 3.2 1.0
assign (resid    7 and  name HN   )(resid   13 and  name HG#  ) 5.0 3.2 1.0
assign (resid    7 and  name HA   )(resid   32 and  name HA   ) 5.0 3.2 0.0

assign (resid    8 and  name HN   )(resid   32 and  name HA   ) 3.5 1.7 0.0
assign (resid    8 and  name HA   )(resid   20 and  name HA   ) 5.0 3.2 0.0
assign (resid    8 and  name HA   )(resid   20 and  name HB#  ) 6.0 4.2 1.0
assign (resid    8 and  name HA   )(resid   21 and  name HB#  ) 5.0 3.2 1.0
assign (resid    8 and  name HA   )(resid   21 and  name HG#  ) 6.0 4.2 1.0
assign (resid    8 and  name HB#  )(resid   21 and  name HB#  ) 5.0 3.2 2.0
assign (resid    8 and  name HB#  )(resid   21 and  name HG#  ) 6.0 4.2 2.0
assign (resid    8 and  name HB#  )(resid   29 and  name HB#  ) 5.0 3.2 2.0

assign (resid    9 and  name HN   )(resid   32 and  name HA   ) 3.5 1.7 0.0
assign (resid    9 and  name HN   )(resid   32 and  name HN   ) 6.0 4.2 0.0

assign (resid   10 and  name HN   )(resid   32 and  name HD2# ) 5.0 3.2 1.0
assign (resid   10 and  name HN   )(resid   32 and  name HA   ) 5.0 3.2 0.0

assign (resid   11 and  name HG#  )(resid   20 and  name HB#  ) 5.0 3.2 2.0
assign (resid   11 and  name HG#  )(resid   20 and  name HG#  ) 5.0 3.2 2.0
assign (resid   11 and  name HG#  )(resid   20 and  name HE#  ) 5.0 3.2 2.0
assign (resid   11 and  name HA   )(resid    4 and  name HB#  ) 5.0 3.2 1.0

assign (resid   17 and  name HA   )(resid    1 and  name HD#  ) 5.0 3.2 2.4
assign (resid   17 and  name HB#  )(resid    1 and  name HD#  ) 5.0 3.2 3.4
assign (resid   17 and  name HG#  )(resid    1 and  name HD#  ) 5.0 3.2 3.4
assign (resid   17 and  name HD#  )(resid    1 and  name HD#  ) 5.0 3.2 3.4

assign (resid   18 and  name HN   )(resid    1 and  name HD#  ) 5.0 3.2 2.4
assign (resid   18 and  name HN   )(resid   11 and  name HB#  ) 5.0 3.2 1.0
assign (resid   18 and  name HN   )(resid   11 and  name HG#  ) 5.0 3.2 1.0
assign (resid   18 and  name HA   )(resid    1 and  name HD#  ) 5.0 3.2 2.4

assign (resid   19 and  name HN   )(resid    3 and  name HA   ) 5.0 3.2 0.0
assign (resid   19 and  name HN   )(resid    1 and  name HD#  ) 5.0 3.2 2.4
assign (resid   19 and  name HA   )(resid    1 and  name HD#  ) 5.0 3.2 2.4

assign (resid   20 and  name HN   )(resid   11 and  name HB#  ) 5.0 3.2 1.0
assign (resid   20 and  name HN   )(resid   11 and  name HG#  ) 5.0 3.2 1.0 
assign (resid   20 and  name HA   )(resid    4 and  name HB#  ) 3.5 1.7 1.0
assign (resid   20 and  name HA   )(resid   11 and  name HG#  ) 5.0 3.2 1.0

assign (resid   21 and  name HN   )(resid    8 and  name HA   ) 3.5 1.7 0.0
assign (resid   21 and  name HN   )(resid    8 and  name HB#  ) 5.0 3.2 1.0
assign (resid   21 and  name HN   )(resid    4 and  name HB#  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid    3 and  name HA   ) 6.0 4.2 0.0
assign (resid   21 and  name HA   )(resid    3 and  name HB#  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid    3 and  name HG#  ) 3.5 1.7 1.0

assign (resid   22 and  name HN   )(resid    3 and  name HG#  ) 5.0 3.2 1.0

assign (resid   23 and  name HA   )(resid   34 and  name HB#  ) 5.0 3.2 1.0
assign (resid   23 and  name HB#  )(resid   34 and  name HB#  ) 5.0 3.2 2.0

assign (resid   24 and  name HN   )(resid   34 and  name HB#  ) 6.0 4.2 1.0

assign (resid   27 and  name HN   )(resid   37 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HN   )(resid   37 and  name HG#  ) 5.0 3.2 2.4
assign (resid   27 and  name HA   )(resid   36 and  name HA   ) 2.7 0.9 0.0
assign (resid   27 and  name HA   )(resid   36 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HA   )(resid   36 and  name HG#  ) 5.0 3.2 1.0
assign (resid   27 and  name HA   )(resid   37 and  name HG#  ) 5.0 3.2 2.4
assign (resid   27 and  name HA   )(resid   37 and  name HB   ) 5.0 3.2 0.0

assign (resid   27 and  name HE1  )(resid   36 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HE1  )(resid   36 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE1  )(resid   36 and  name HG#  ) 3.5 1.7 1.0
assign (resid   27 and  name HE1  )(resid   36 and  name HD#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE1  )(resid   36 and  name HE#  ) 3.5 1.7 1.0

assign (resid   27 and  name HD1  )(resid   36 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HD1  )(resid   37 and  name HN   ) 6.0 4.2 0.0

assign (resid   27 and  name HE3  )(resid   34 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   34 and  name HN   ) 6.0 4.2 0.0
assign (resid   27 and  name HE3  )(resid   34 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE3  )(resid   35 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   35 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   35 and  name HG#  ) 5.0 3.2 2.4
assign (resid   27 and  name HE3  )(resid   36 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   36 and  name HA   ) 5.0 3.2 0.0
assign (resid   27 and  name HE3  )(resid   36 and  name HB#  ) 5.0 3.2 1.0
assign (resid   27 and  name HE3  )(resid   36 and  name HG#  ) 5.0 3.2 1.0

assign (resid   27 and  name HZ3  )(resid   36 and  name HN   ) 5.0 3.2 0.0
assign (resid   27 and  name HZ3  )(resid   35 and  name HG#  ) 5.0 3.2 2.4

assign (resid   27 and  name HZ2  )(resid   36 and  name HB# ) 5.0 3.2 1.0
assign (resid   27 and  name HZ2  )(resid   36 and  name HG# ) 5.0 3.2 1.0
assign (resid   27 and  name HZ2  )(resid   36 and  name HD# ) 5.0 3.2 1.0
assign (resid   27 and  name HZ2  )(resid   36 and  name HE# ) 5.0 3.2 1.0

assign (resid   28 and  name HN   )(resid   34 and  name HA   ) 6.0 4.2 0.0
assign (resid   28 and  name HN   )(resid   35 and  name HN   ) 3.5 1.7 0.0
assign (resid   28 and  name HN   )(resid   35 and  name HB   ) 5.0 3.2 0.0
assign (resid   28 and  name HN   )(resid   35 and  name HG#  ) 5.0 3.2 2.4
assign (resid   28 and  name HN   )(resid   36 and  name HA   ) 3.5 1.7 0.0
assign (resid   28 and  name HN   )(resid   36 and  name HN   ) 5.0 3.2 0.0
assign (resid   28 and  name HN   )(resid   37 and  name HN   ) 3.5 1.7 0.0
assign (resid   28 and  name HN   )(resid   37 and  name HG#  ) 5.0 3.2 2.4
assign (resid   28 and  name HN   )(resid   23 and  name HB#  ) 5.0 3.2 1.0
assign (resid   28 and  name HA   )(resid   23 and  name HB#  ) 5.0 3.2 1.0

assign (resid   29 and  name HA   )(resid    8 and  name HB#  ) 5.0 3.2 1.0
assign (resid   29 and  name HA   )(resid   34 and  name HA   ) 2.7 0.9 1.0
assign (resid   29 and  name HA   )(resid   34 and  name HB#  ) 5.0 3.2 1.0
assign (resid   29 and  name HA   )(resid   35 and  name HG#  ) 5.0 3.2 2.4

assign (resid   30 and  name HN   )(resid   35 and  name HG#  ) 5.0 3.2 2.4

assign (resid   32 and  name HN   )(resid    9 and  name HB#  ) 5.0 3.2 1.0
assign (resid   32 and  name HA   )(resid    9 and  name HB#  ) 5.0 3.2 1.0
assign (resid   32 and  name HD2# )(resid   10 and  name HB   ) 5.0 3.2 1.0
assign (resid   32 and  name HD2# )(resid   10 and  name HG1# ) 6.0 4.2 2.0
assign (resid   32 and  name HD2# )(resid   10 and  name HG2# ) 6.0 4.2 2.0
assign (resid   32 and  name HD2# )(resid   10 and  name HD1# ) 6.0 4.2 2.0

assign (resid   33 and  name HA   )(resid    6 and  name HB#  ) 6.0 4.2 1.0
assign (resid   33 and  name HA   )(resid    6 and  name HD#  ) 5.0 3.2 2.4
assign (resid   33 and  name HA   )(resid    6 and  name HA   ) 6.0 4.2 0.0
assign (resid   33 and  name HA   )(resid    7 and  name HA   ) 6.0 4.2 0.0
assign (resid   33 and  name HA   )(resid    8 and  name HB#  ) 6.0 4.2 1.0

assign (resid   34 and  name HA   )(resid    8 and  name HB#  ) 5.0 3.2 1.0
assign (resid   34 and  name HA   )(resid   23 and  name HB#  ) 5.0 3.2 1.0
assign (resid   34 and  name HA   )(resid   27 and  name HB#  ) 5.0 3.2 1.0
assign (resid   34 and  name HA   )(resid   28 and  name HA   ) 6.0 4.2 0.0

assign (resid   35 and  name HN   )(resid   27 and  name HB#  ) 5.0 3.2 1.0
assign (resid   35 and  name HN   )(resid   28 and  name HB#  ) 5.0 3.2 1.0
assign (resid   35 and  name HN   )(resid   28 and  name HG#  ) 6.0 4.2 1.0

assign (resid   36 and  name HN   )(resid   27 and  name HE1  ) 6.0 4.2 0.0
assign (resid   36 and  name HA   )(resid   27 and  name HB#  ) 5.0 3.2 1.0

assign (resid   37 and  name HN   )(resid   27 and  name HA   ) 3.5 1.7 0.0
assign (resid   37 and  name HN   )(resid   27 and  name HB#  ) 5.0 3.2 1.0
assign (resid   37 and  name HA   )(resid   28 and  name HB#  ) 5.0 3.2 1.0
assign (resid   37 and  name HG#  )(resid   28 and  name HB#  ) 5.0 3.2 3.4
assign (resid   37 and  name HG#  )(resid   28 and  name HG#  ) 5.0 3.2 3.4

!disulfide bonds fake distance constraints
assign (resid    4 and  name SG   )(resid   18 and  name SG   ) 2.02 0.02 0.02
assign (resid    4 and  name SG   )(resid   18 and  name CB   ) 2.99 0.5 0.5
assign (resid    4 and  name CB   )(resid   18 and  name SG   ) 2.99 0.5 0.5
assign (resid    8 and  name SG   )(resid   29 and  name SG   ) 2.02 0.02 0.02
assign (resid    8 and  name SG   )(resid   29 and  name CB   ) 2.99 0.5 0.5
assign (resid    8 and  name CB   )(resid   29 and  name SG   ) 2.99 0.5 0.5
assign (resid   23 and  name SG   )(resid   34 and  name SG   ) 2.02 0.02 0.02
assign (resid   23 and  name SG   )(resid   34 and  name CB   ) 2.99 0.5 0.5
assign (resid   23 and  name CB   )(resid   34 and  name SG   ) 2.99 0.5 0.5

!dihedral angel constraints
!C4--9.745Hz
assign (resid    3 and name c )   (resid    4 and name n ) 
       (resid    4 and name ca)   (resid    4 and name c )  1.0 -120.0 40.0 2
!C8--13.319Hz
assign (resid    7 and name c )   (resid    8 and name n ) 
       (resid    8 and name ca)   (resid    8 and name c )  1.0 -120.0 40.0 2
!E13--8.836Hz
assign (resid   12 and name c )   (resid   13 and name n ) 
       (resid   13 and name ca)   (resid   13 and name c )  1.0 -120.0 40.0 2
!D15--8.965Hz
assign (resid   14 and name c )   (resid   15 and name n ) 
       (resid   15 and name ca)   (resid   15 and name c )  1.0 -120.0 40.0 2
!K16--8.879Hz
assign (resid   15 and name c )   (resid   16 and name n ) 
       (resid   16 and name ca)   (resid   16 and name c )  1.0 -120.0 40.0 2
!K19--8.836Hz
assign (resid   18 and name c )   (resid   19 and name n ) 
       (resid   19 and name ca)   (resid   19 and name c )  1.0 -120.0 40.0 2
!K20--10.55Hz
assign (resid   19 and name c )   (resid   20 and name n ) 
       (resid   20 and name ca)   (resid   20 and name c )  1.0 -120.0 40.0 2
!K21--10.297Hz
assign (resid   20 and name c )   (resid   21 and name n ) 
       (resid   21 and name ca)   (resid   21 and name c )  1.0 -120.0 40.0 2
!W27--10.395Hz
assign (resid   26 and name c )   (resid   27 and name n ) 
       (resid   27 and name ca)   (resid   27 and name c )  1.0 -120.0 40.0 2
!K28--8.42Hz
assign (resid   27 and name c )   (resid   28 and name n ) 
       (resid   28 and name ca)   (resid   28 and name c )  1.0 -120.0 40.0 2
!K30--9.653Hz
assign (resid   29 and name c )   (resid   30 and name n ) 
       (resid   30 and name ca)   (resid   30 and name c )  1.0 -120.0 40.0 2
!F31--5.3Hz
assign (resid   30 and name c )   (resid   31 and name n ) 
       (resid   31 and name ca)   (resid   31 and name c )  1.0 -65.0  25.0 2
!N32--8.112Hz
assign (resid   31 and name c )   (resid   32 and name n ) 
       (resid   32 and name ca)   (resid   32 and name c )  1.0 -120.0 40.0 2
!M33-11.089Hz
assign (resid   32 and name c )   (resid   33 and name n ) 
       (resid   33 and name ca)   (resid   33 and name c )  1.0 -120.0 40.0 2
!C34--9.27/9.24Hz 
assign (resid   33 and name c )   (resid   34 and name n ) 
       (resid   34 and name ca)   (resid   34 and name c )  1.0 -120.0 40.0 2
!V35-10.6Hz
 assign (resid   34 and name c )   (resid   35 and name n ) 
        (resid   35 and name ca)   (resid   35 and name c )  1.0 -120.0 40.0 2 

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LEU   1          HT1       LEU   1 -11.868  10.040   2.227
    2   2H    LEU   1          HT2       LEU   1 -10.498  10.720   1.484
    3   3H    LEU   1          HT3       LEU   1 -10.631  10.703   3.179
    4    HA   LEU   1           HA       LEU   1 -10.616   8.218   3.094
    5   1HB   LEU   1          HB2       LEU   1 -10.262   9.013   0.207
    6   2HB   LEU   1          HB1       LEU   1  -9.614   7.480   0.786
    7    HG   LEU   1           HG       LEU   1 -12.211   7.600   1.842
    8   1HD1  LEU   1          HD11      LEU   1 -13.004   9.303   0.421
    9   2HD1  LEU   1          HD12      LEU   1 -13.460   7.826  -0.428
   10   3HD1  LEU   1          HD13      LEU   1 -12.042   8.738  -0.945
   11   1HD2  LEU   1          HD21      LEU   1 -12.623   5.759   0.206
   12   2HD2  LEU   1          HD22      LEU   1 -11.084   5.578   1.048
   13   3HD2  LEU   1          HD23      LEU   1 -11.117   6.180  -0.609
   14    H    PHE   2           HN       PHE   2  -8.821   8.089   4.392
   15    HA   PHE   2           HA       PHE   2  -6.435   9.700   3.956
   16   1HB   PHE   2          HB2       PHE   2  -7.667   8.229   6.020
   17   2HB   PHE   2          HB1       PHE   2  -6.118   7.431   5.746
   18    HD1  PHE   2           HD1      PHE   2  -4.009   8.599   6.122
   19    HD2  PHE   2           HD2      PHE   2  -7.776  10.575   6.717
   20    HE1  PHE   2           HE1      PHE   2  -2.855  10.439   7.317
   21    HE2  PHE   2           HE2      PHE   2  -6.622  12.416   7.912
   22    HZ   PHE   2           HZ       PHE   2  -4.161  12.348   8.212
   23    H    GLU   3           HN       GLU   3  -4.273   8.812   3.549
   24    HA   GLU   3           HA       GLU   3  -4.156   6.958   1.355
   25   1HB   GLU   3          HB2       GLU   3  -2.557   8.872   2.407
   26   2HB   GLU   3          HB1       GLU   3  -1.758   7.440   3.056
   27   1HG   GLU   3          HG2       GLU   3  -0.688   7.657   0.998
   28   2HG   GLU   3          HG1       GLU   3  -1.994   6.549   0.586
   29    H    CYS   4           HN       CYS   4  -3.605   4.761   1.315
   30    HA   CYS   4           HA       CYS   4  -4.071   3.220   3.767
   31   1HB   CYS   4          HB2       CYS   4  -4.423   2.888   1.037
   32   2HB   CYS   4          HB1       CYS   4  -3.074   1.813   1.393
   33    H    SER   5           HN       SER   5  -2.487   2.550   5.144
   34    HA   SER   5           HA       SER   5   0.362   2.871   4.372
   35   1HB   SER   5          HB2       SER   5  -1.121   2.291   6.950
   36   2HB   SER   5          HB1       SER   5   0.635   2.372   6.850
   37    HG   SER   5           HG       SER   5   0.507   4.495   6.319
   38    H    PHE   6           HN       PHE   6  -1.944   0.310   5.292
   39    HA   PHE   6           HA       PHE   6   0.184  -1.755   5.115
   40   1HB   PHE   6          HB2       PHE   6  -1.812  -1.453   6.834
   41   2HB   PHE   6          HB1       PHE   6  -2.726  -2.306   5.592
   42    HD1  PHE   6           HD1      PHE   6  -2.574  -4.653   5.385
   43    HD2  PHE   6           HD2      PHE   6   0.403  -2.523   7.639
   44    HE1  PHE   6           HE1      PHE   6  -1.609  -6.806   6.150
   45    HE2  PHE   6           HE2      PHE   6   1.365  -4.678   8.401
   46    HZ   PHE   6           HZ       PHE   6   0.360  -6.819   7.657
   47    H    SER   7           HN       SER   7  -1.432  -0.194   2.762
   48    HA   SER   7           HA       SER   7  -1.503  -2.610   1.027
   49   1HB   SER   7          HB2       SER   7  -3.789  -1.269   2.155
   50   2HB   SER   7          HB1       SER   7  -3.802  -1.063   0.406
   51    HG   SER   7           HG       SER   7  -4.155  -3.315   1.935
   52    H    CYS   8           HN       CYS   8  -0.269  -2.048  -0.710
   53    HA   CYS   8           HA       CYS   8  -0.262   0.811  -1.615
   54   1HB   CYS   8          HB2       CYS   8   1.875  -0.167  -0.834
   55   2HB   CYS   8          HB1       CYS   8   1.719  -1.456  -2.028
   56    H    GLU   9           HN       GLU   9  -0.708  -2.552  -2.673
   57    HA   GLU   9           HA       GLU   9  -0.949  -1.876  -5.510
   58   1HB   GLU   9          HB2       GLU   9  -0.124  -4.050  -4.662
   59   2HB   GLU   9          HB1       GLU   9  -1.690  -4.349  -3.908
   60   1HG   GLU   9          HG2       GLU   9  -1.678  -5.530  -6.010
   61   2HG   GLU   9          HG1       GLU   9  -2.734  -4.132  -6.205
   62    H    ILE  10           HN       ILE  10  -3.292  -2.998  -3.014
   63    HA   ILE  10           HA       ILE  10  -5.519  -1.999  -4.751
   64    HB   ILE  10           HB       ILE  10  -5.510  -3.880  -2.362
   65   1HG1  ILE  10          HG12      ILE  10  -6.160  -5.256  -4.737
   66   2HG1  ILE  10          HG11      ILE  10  -4.758  -4.267  -5.139
   67   1HG2  ILE  10          HG21      ILE  10  -7.753  -4.541  -3.436
   68   2HG2  ILE  10          HG22      ILE  10  -7.624  -3.040  -4.354
   69   3HG2  ILE  10          HG23      ILE  10  -7.705  -2.992  -2.593
   70   1HD1  ILE  10          HD11      ILE  10  -4.906  -6.040  -2.687
   71   2HD1  ILE  10          HD12      ILE  10  -3.487  -5.196  -3.306
   72   3HD1  ILE  10          HD13      ILE  10  -4.179  -6.541  -4.214
   73    H    GLU  11           HN       GLU  11  -7.317  -0.878  -3.634
   74    HA   GLU  11           HA       GLU  11  -6.324   0.986  -1.551
   75   1HB   GLU  11          HB2       GLU  11  -8.682   0.799  -3.428
   76   2HB   GLU  11          HB1       GLU  11  -8.671   1.980  -2.121
   77   1HG   GLU  11          HG2       GLU  11  -6.522   2.883  -2.965
   78   2HG   GLU  11          HG1       GLU  11  -6.561   1.717  -4.288
   79    H    LYS  12           HN       LYS  12  -6.715  -1.700  -0.614
   80    HA   LYS  12           HA       LYS  12  -9.047  -1.311   1.232
   81   1HB   LYS  12          HB2       LYS  12  -8.559  -3.318  -0.786
   82   2HB   LYS  12          HB1       LYS  12  -8.596  -4.080   0.803
   83   1HG   LYS  12          HG2       LYS  12 -10.777  -3.239   1.269
   84   2HG   LYS  12          HG1       LYS  12 -10.712  -2.113  -0.089
   85   1HD   LYS  12          HD2       LYS  12 -10.829  -3.891  -1.685
   86   2HD   LYS  12          HD1       LYS  12 -10.567  -5.112  -0.440
   87   1HE   LYS  12          HE2       LYS  12 -12.845  -3.509   0.303
   88   2HE   LYS  12          HE1       LYS  12 -13.065  -4.109  -1.352
   89   1HZ   LYS  12          HZ1       LYS  12 -12.442  -6.322  -0.598
   90   2HZ   LYS  12          HZ2       LYS  12 -13.786  -5.758   0.274
   91   3HZ   LYS  12          HZ3       LYS  12 -12.244  -5.753   0.988
   92    H    GLU  13           HN       GLU  13  -8.133  -1.052   3.225
   93    HA   GLU  13           HA       GLU  13  -5.502  -2.188   3.894
   94   1HB   GLU  13          HB2       GLU  13  -6.399   0.078   4.577
   95   2HB   GLU  13          HB1       GLU  13  -7.532  -0.758   5.638
   96   1HG   GLU  13          HG2       GLU  13  -5.000  -1.887   6.176
   97   2HG   GLU  13          HG1       GLU  13  -4.742  -0.145   6.088
   98    H    GLY  14           HN       GLY  14  -8.896  -2.734   4.859
   99   1HA   GLY  14          HA2       GLY  14  -8.987  -5.413   5.215
  100   2HA   GLY  14          HA1       GLY  14  -8.111  -4.927   6.668
  101    H    ASP  15           HN       ASP  15  -9.373  -2.556   7.332
  102    HA   ASP  15           HA       ASP  15 -12.099  -3.527   8.085
  103   1HB   ASP  15          HB2       ASP  15 -10.370  -2.937   9.816
  104   2HB   ASP  15          HB1       ASP  15 -10.402  -1.278   9.218
  105    H    LYS  16           HN       LYS  16 -10.404  -0.638   6.793
  106    HA   LYS  16           HA       LYS  16 -13.046   0.293   5.716
  107   1HB   LYS  16          HB2       LYS  16 -12.409   2.561   6.359
  108   2HB   LYS  16          HB1       LYS  16 -12.291   1.510   7.769
  109   1HG   LYS  16          HG2       LYS  16  -9.780   1.416   6.415
  110   2HG   LYS  16          HG1       LYS  16 -10.236   3.111   6.576
  111   1HD   LYS  16          HD2       LYS  16 -10.630   1.357   8.958
  112   2HD   LYS  16          HD1       LYS  16  -8.974   1.796   8.540
  113   1HE   LYS  16          HE2       LYS  16  -9.297   3.819   9.504
  114   2HE   LYS  16          HE1       LYS  16 -10.570   4.163   8.316
  115   1HZ   LYS  16          HZ1       LYS  16 -10.920   2.590  10.817
  116   2HZ   LYS  16          HZ2       LYS  16 -12.134   2.917   9.672
  117   3HZ   LYS  16          HZ3       LYS  16 -11.453   4.183  10.579
  118    HA   PRO  17           HA       PRO  17 -10.959   0.795   1.870
  119   1HB   PRO  17          HB2       PRO  17 -12.254   2.965   0.821
  120   2HB   PRO  17          HB1       PRO  17 -13.007   1.364   0.957
  121   1HG   PRO  17          HG2       PRO  17 -13.336   3.761   2.687
  122   2HG   PRO  17          HG1       PRO  17 -14.538   2.573   2.163
  123   1HD   PRO  17          HD2       PRO  17 -13.392   2.577   4.642
  124   2HD   PRO  17          HD1       PRO  17 -14.025   1.118   3.849
  125    H    CYS  18           HN       CYS  18  -9.444   2.240   0.709
  126    HA   CYS  18           HA       CYS  18  -8.698   4.780   2.039
  127   1HB   CYS  18          HB2       CYS  18  -6.315   3.874   2.260
  128   2HB   CYS  18          HB1       CYS  18  -7.499   3.197   3.375
  129    H    LYS  19           HN       LYS  19  -6.581   5.621   0.849
  130    HA   LYS  19           HA       LYS  19  -7.125   5.435  -2.075
  131   1HB   LYS  19          HB2       LYS  19  -5.627   7.341  -0.257
  132   2HB   LYS  19          HB1       LYS  19  -5.607   7.497  -2.014
  133   1HG   LYS  19          HG2       LYS  19  -8.230   7.334  -1.750
  134   2HG   LYS  19          HG1       LYS  19  -7.890   7.868  -0.104
  135   1HD   LYS  19          HD2       LYS  19  -7.786   9.976  -0.889
  136   2HD   LYS  19          HD1       LYS  19  -6.317   9.517  -1.751
  137   1HE   LYS  19          HE2       LYS  19  -7.701  10.313  -3.491
  138   2HE   LYS  19          HE1       LYS  19  -7.997   8.565  -3.547
  139   1HZ   LYS  19          HZ1       LYS  19  -9.896   8.849  -2.102
  140   2HZ   LYS  19          HZ2       LYS  19 -10.076   9.843  -3.468
  141   3HZ   LYS  19          HZ3       LYS  19  -9.607  10.518  -1.981
  142    H    LYS  20           HN       LYS  20  -5.019   5.622  -3.464
  143    HA   LYS  20           HA       LYS  20  -3.272   3.368  -2.783
  144   1HB   LYS  20          HB2       LYS  20  -4.170   4.707  -5.085
  145   2HB   LYS  20          HB1       LYS  20  -2.442   5.047  -5.021
  146   1HG   LYS  20          HG2       LYS  20  -2.195   2.496  -4.543
  147   2HG   LYS  20          HG1       LYS  20  -3.830   2.379  -5.192
  148   1HD   LYS  20          HD2       LYS  20  -1.607   3.797  -6.675
  149   2HD   LYS  20          HD1       LYS  20  -1.921   2.073  -6.876
  150   1HE   LYS  20          HE2       LYS  20  -4.216   2.541  -7.615
  151   2HE   LYS  20          HE1       LYS  20  -3.968   4.276  -7.342
  152   1HZ   LYS  20          HZ1       LYS  20  -3.537   3.731  -9.651
  153   2HZ   LYS  20          HZ2       LYS  20  -2.401   2.554  -9.195
  154   3HZ   LYS  20          HZ3       LYS  20  -2.093   4.199  -8.894
  155    H    LYS  21           HN       LYS  21  -1.300   3.532  -1.776
  156    HA   LYS  21           HA       LYS  21  -0.265   6.246  -1.125
  157   1HB   LYS  21          HB2       LYS  21  -0.457   4.880   0.777
  158   2HB   LYS  21          HB1       LYS  21   0.078   3.439  -0.087
  159   1HG   LYS  21          HG2       LYS  21   2.328   4.031   0.036
  160   2HG   LYS  21          HG1       LYS  21   1.970   5.751   0.199
  161   1HD   LYS  21          HD2       LYS  21   0.763   4.503   2.424
  162   2HD   LYS  21          HD1       LYS  21   2.364   3.779   2.274
  163   1HE   LYS  21          HE2       LYS  21   2.946   5.665   3.495
  164   2HE   LYS  21          HE1       LYS  21   3.026   6.374   1.870
  165   1HZ   LYS  21          HZ1       LYS  21   0.632   6.895   2.087
  166   2HZ   LYS  21          HZ2       LYS  21   1.594   7.725   3.214
  167   3HZ   LYS  21          HZ3       LYS  21   0.684   6.377   3.701
  168    H    LYS  22           HN       LYS  22   1.673   7.004  -1.958
  169    HA   LYS  22           HA       LYS  22   2.979   5.383  -4.072
  170   1HB   LYS  22          HB2       LYS  22   2.783   8.239  -3.241
  171   2HB   LYS  22          HB1       LYS  22   4.275   7.761  -4.051
  172   1HG   LYS  22          HG2       LYS  22   1.535   7.090  -5.150
  173   2HG   LYS  22          HG1       LYS  22   2.399   8.565  -5.584
  174   1HD   LYS  22          HD2       LYS  22   4.337   6.634  -5.934
  175   2HD   LYS  22          HD1       LYS  22   2.874   5.795  -6.451
  176   1HE   LYS  22          HE2       LYS  22   3.485   8.591  -7.430
  177   2HE   LYS  22          HE1       LYS  22   4.133   7.162  -8.256
  178   1HZ   LYS  22          HZ1       LYS  22   1.275   7.749  -7.680
  179   2HZ   LYS  22          HZ2       LYS  22   1.837   6.259  -8.277
  180   3HZ   LYS  22          HZ3       LYS  22   2.010   7.671  -9.207
  181    H    CYS  23           HN       CYS  23   4.470   3.955  -3.250
  182    HA   CYS  23           HA       CYS  23   5.973   4.442  -0.807
  183   1HB   CYS  23          HB2       CYS  23   5.235   2.278  -2.340
  184   2HB   CYS  23          HB1       CYS  23   6.951   2.417  -2.723
  185    H    LYS  24           HN       LYS  24   8.516   4.090  -1.023
  186    HA   LYS  24           HA       LYS  24   9.617   6.394  -2.328
  187   1HB   LYS  24          HB2       LYS  24  10.551   4.006  -0.822
  188   2HB   LYS  24          HB1       LYS  24  11.765   4.827  -1.803
  189   1HG   LYS  24          HG2       LYS  24   9.947   6.349   0.069
  190   2HG   LYS  24          HG1       LYS  24  11.474   5.655   0.617
  191   1HD   LYS  24          HD2       LYS  24  12.549   6.877  -1.377
  192   2HD   LYS  24          HD1       LYS  24  11.038   7.782  -1.482
  193   1HE   LYS  24          HE2       LYS  24  11.536   8.009   1.185
  194   2HE   LYS  24          HE1       LYS  24  13.193   7.950   0.551
  195   1HZ   LYS  24          HZ1       LYS  24  12.368  10.210   0.480
  196   2HZ   LYS  24          HZ2       LYS  24  11.008   9.722  -0.415
  197   3HZ   LYS  24          HZ3       LYS  24  12.561   9.624  -1.100
  198    H    GLY  25           HN       GLY  25  11.362   6.336  -3.991
  199   1HA   GLY  25          HA2       GLY  25  10.538   4.920  -6.365
  200   2HA   GLY  25          HA1       GLY  25  11.999   5.892  -6.206
  201    H    GLY  26           HN       GLY  26  13.077   4.362  -3.945
  202   1HA   GLY  26          HA2       GLY  26  14.143   2.081  -5.496
  203   2HA   GLY  26          HA1       GLY  26  14.790   2.686  -3.972
  204    H    TRP  27           HN       TRP  27  11.360   2.246  -4.021
  205    HA   TRP  27           HA       TRP  27  11.672  -0.303  -2.468
  206   1HB   TRP  27          HB2       TRP  27   9.980   2.170  -2.172
  207   2HB   TRP  27          HB1       TRP  27   9.412   0.646  -1.494
  208    HD1  TRP  27           HD1      TRP  27  12.641   2.788  -1.425
  209    HE1  TRP  27           HE1      TRP  27  13.674   2.598   0.929
  210    HE3  TRP  27           HE3      TRP  27   9.370  -0.502   0.711
  211    HZ2  TRP  27           HZ2      TRP  27  13.179   1.231   3.393
  212    HZ3  TRP  27           HZ3      TRP  27   9.675  -1.231   3.060
  213    HH2  TRP  27           HH2      TRP  27  11.574  -0.370   4.402
  214    H    LYS  28           HN       LYS  28  10.153  -1.963  -2.922
  215    HA   LYS  28           HA       LYS  28   8.534  -1.572  -5.420
  216   1HB   LYS  28          HB2       LYS  28  10.457  -3.141  -5.508
  217   2HB   LYS  28          HB1       LYS  28   9.762  -4.055  -4.171
  218   1HG   LYS  28          HG2       LYS  28   8.991  -5.272  -6.000
  219   2HG   LYS  28          HG1       LYS  28   7.641  -4.169  -5.732
  220   1HD   LYS  28          HD2       LYS  28   8.085  -2.945  -7.624
  221   2HD   LYS  28          HD1       LYS  28   9.826  -3.199  -7.507
  222   1HE   LYS  28          HE2       LYS  28   9.672  -4.859  -9.039
  223   2HE   LYS  28          HE1       LYS  28   8.594  -5.753  -7.949
  224   1HZ   LYS  28          HZ1       LYS  28   7.476  -5.210 -10.034
  225   2HZ   LYS  28          HZ2       LYS  28   7.766  -3.556  -9.777
  226   3HZ   LYS  28          HZ3       LYS  28   6.740  -4.415  -8.729
  227    H    CYS  29           HN       CYS  29   6.336  -1.709  -5.159
  228    HA   CYS  29           HA       CYS  29   5.181  -2.468  -2.561
  229   1HB   CYS  29          HB2       CYS  29   4.245  -1.327  -5.182
  230   2HB   CYS  29          HB1       CYS  29   3.054  -1.960  -4.046
  231    H    LYS  30           HN       LYS  30   4.365  -4.480  -2.099
  232    HA   LYS  30           HA       LYS  30   4.227  -6.493  -4.304
  233   1HB   LYS  30          HB2       LYS  30   5.450  -6.500  -1.852
  234   2HB   LYS  30          HB1       LYS  30   3.927  -7.300  -1.467
  235   1HG   LYS  30          HG2       LYS  30   4.300  -9.013  -3.084
  236   2HG   LYS  30          HG1       LYS  30   5.614  -8.113  -3.841
  237   1HD   LYS  30          HD2       LYS  30   7.077  -9.149  -2.486
  238   2HD   LYS  30          HD1       LYS  30   6.289  -8.404  -1.095
  239   1HE   LYS  30          HE2       LYS  30   4.836 -10.269  -0.780
  240   2HE   LYS  30          HE1       LYS  30   5.204 -10.922  -2.388
  241   1HZ   LYS  30          HZ1       LYS  30   7.497 -11.227  -1.723
  242   2HZ   LYS  30          HZ2       LYS  30   6.476 -12.052  -0.644
  243   3HZ   LYS  30          HZ3       LYS  30   7.177 -10.573  -0.191
  244    H    PHE  31           HN       PHE  31   2.480  -8.211  -2.568
  245    HA   PHE  31           HA       PHE  31  -0.081  -7.580  -3.619
  246   1HB   PHE  31          HB2       PHE  31   1.037  -9.297  -1.426
  247   2HB   PHE  31          HB1       PHE  31  -0.712  -9.108  -1.524
  248    HD1  PHE  31           HD1      PHE  31  -1.488 -11.171  -2.346
  249    HD2  PHE  31           HD2      PHE  31   1.805  -9.222  -4.302
  250    HE1  PHE  31           HE1      PHE  31  -1.570 -12.854  -4.163
  251    HE2  PHE  31           HE2      PHE  31   1.719 -10.905  -6.120
  252    HZ   PHE  31           HZ       PHE  31   0.032 -12.721  -6.050
  253    H    ASN  32           HN       ASN  32   0.931  -7.272  -0.183
  254    HA   ASN  32           HA       ASN  32  -0.699  -4.777   0.038
  255   1HB   ASN  32          HB2       ASN  32  -0.917  -7.297   1.719
  256   2HB   ASN  32          HB1       ASN  32  -1.659  -5.761   2.165
  257   1HD2  ASN  32          HD21      ASN  32  -3.165  -4.804   0.373
  258   2HD2  ASN  32          HD22      ASN  32  -4.096  -5.915  -0.509
  259    H    MET  33           HN       MET  33   2.227  -5.335   0.010
  260    HA   MET  33           HA       MET  33   2.934  -3.907   2.494
  261   1HB   MET  33          HB2       MET  33   2.929  -6.678   2.456
  262   2HB   MET  33          HB1       MET  33   4.609  -6.292   2.086
  263   1HG   MET  33          HG2       MET  33   3.242  -4.838   4.325
  264   2HG   MET  33          HG1       MET  33   3.823  -6.480   4.597
  265   1HE   MET  33          HE1       MET  33   5.298  -3.129   5.711
  266   2HE   MET  33          HE2       MET  33   4.175  -3.063   4.356
  267   3HE   MET  33          HE3       MET  33   5.852  -2.574   4.125
  268    H    CYS  34           HN       CYS  34   4.554  -2.473   1.985
  269    HA   CYS  34           HA       CYS  34   5.891  -2.707  -0.653
  270   1HB   CYS  34          HB2       CYS  34   4.741  -0.635   0.284
  271   2HB   CYS  34          HB1       CYS  34   6.074  -0.516   1.434
  272    H    VAL  35           HN       VAL  35   7.949  -3.470  -0.837
  273    HA   VAL  35           HA       VAL  35   9.753  -3.393   1.561
  274    HB   VAL  35           HB       VAL  35   9.111  -5.640  -0.375
  275   1HG1  VAL  35          HG11      VAL  35  11.460  -5.815  -0.160
  276   2HG1  VAL  35          HG12      VAL  35  10.839  -6.899   1.085
  277   3HG1  VAL  35          HG13      VAL  35  11.431  -5.297   1.525
  278   1HG2  VAL  35          HG21      VAL  35   8.846  -6.790   1.962
  279   2HG2  VAL  35          HG22      VAL  35   7.569  -5.714   1.394
  280   3HG2  VAL  35          HG23      VAL  35   8.748  -5.139   2.572
  281    H    LYS  36           HN       LYS  36  12.010  -3.127   1.028
  282    HA   LYS  36           HA       LYS  36  12.684  -1.517  -1.203
  283   1HB   LYS  36          HB2       LYS  36  14.141  -3.224   0.784
  284   2HB   LYS  36          HB1       LYS  36  15.054  -2.575  -0.577
  285   1HG   LYS  36          HG2       LYS  36  14.110  -0.292   0.012
  286   2HG   LYS  36          HG1       LYS  36  13.493  -1.018   1.496
  287   1HD   LYS  36          HD2       LYS  36  15.512  -0.839   2.465
  288   2HD   LYS  36          HD1       LYS  36  16.246  -1.774   1.162
  289   1HE   LYS  36          HE2       LYS  36  16.266   0.376  -0.217
  290   2HE   LYS  36          HE1       LYS  36  15.847   1.230   1.282
  291   1HZ   LYS  36          HZ1       LYS  36  18.255   1.089   1.000
  292   2HZ   LYS  36          HZ2       LYS  36  18.164  -0.605   0.927
  293   3HZ   LYS  36          HZ3       LYS  36  17.755   0.210   2.362
  294    H    VAL  37           HN       VAL  37  13.401  -1.983  -3.284
  295    HA   VAL  37           HA       VAL  37  12.905  -4.686  -4.320
  296    HB   VAL  37           HB       VAL  37  12.287  -2.492  -5.423
  297   1HG1  VAL  37          HG11      VAL  37  13.841  -0.961  -6.029
  298   2HG1  VAL  37          HG12      VAL  37  14.958  -2.194  -6.614
  299   3HG1  VAL  37          HG13      VAL  37  14.903  -1.797  -4.897
  300   1HG2  VAL  37          HG21      VAL  37  12.386  -3.475  -7.490
  301   2HG2  VAL  37          HG22      VAL  37  12.910  -4.868  -6.545
  302   3HG2  VAL  37          HG23      VAL  37  14.105  -3.849  -7.348
  Start of MODEL    2
    1   1H    LEU   1          HT1       LEU   1  12.413   9.400   4.912
    2   2H    LEU   1          HT2       LEU   1  13.078   8.420   6.128
    3   3H    LEU   1          HT3       LEU   1  11.526   9.084   6.323
    4    HA   LEU   1           HA       LEU   1  12.310   7.031   4.311
    5   1HB   LEU   1          HB2       LEU   1  11.167   7.073   7.056
    6   2HB   LEU   1          HB1       LEU   1  10.400   5.961   5.922
    7    HG   LEU   1           HG       LEU   1  13.384   6.006   5.987
    8   1HD1  LEU   1          HD11      LEU   1  13.589   4.743   7.961
    9   2HD1  LEU   1          HD12      LEU   1  11.869   4.361   8.007
   10   3HD1  LEU   1          HD13      LEU   1  12.421   5.987   8.407
   11   1HD2  LEU   1          HD21      LEU   1  11.568   3.606   5.998
   12   2HD2  LEU   1          HD22      LEU   1  13.150   3.796   5.242
   13   3HD2  LEU   1          HD23      LEU   1  11.735   4.572   4.531
   14    H    PHE   2           HN       PHE   2  10.213   6.061   3.383
   15    HA   PHE   2           HA       PHE   2   8.159   8.211   2.955
   16   1HB   PHE   2          HB2       PHE   2   9.968   6.851   1.158
   17   2HB   PHE   2          HB1       PHE   2   8.302   6.497   0.701
   18    HD1  PHE   2           HD1      PHE   2  10.708   9.251   1.395
   19    HD2  PHE   2           HD2      PHE   2   6.893   8.170  -0.259
   20    HE1  PHE   2           HE1      PHE   2  10.493  11.516   0.409
   21    HE2  PHE   2           HE2      PHE   2   6.679  10.435  -1.244
   22    HZ   PHE   2           HZ       PHE   2   8.479  12.108  -0.910
   23    H    GLU   3           HN       GLU   3   6.085   7.159   1.965
   24    HA   GLU   3           HA       GLU   3   5.293   4.915   3.724
   25   1HB   GLU   3          HB2       GLU   3   4.098   7.219   2.814
   26   2HB   GLU   3          HB1       GLU   3   3.396   6.009   1.739
   27   1HG   GLU   3          HG2       GLU   3   1.954   5.548   3.412
   28   2HG   GLU   3          HG1       GLU   3   3.313   4.787   4.238
   29    H    CYS   4           HN       CYS   4   4.037   3.078   2.741
   30    HA   CYS   4           HA       CYS   4   5.464   1.969   0.424
   31   1HB   CYS   4          HB2       CYS   4   3.210   0.976   2.199
   32   2HB   CYS   4          HB1       CYS   4   4.004  -0.005   0.968
   33    H    SER   5           HN       SER   5   4.803   3.035  -1.465
   34    HA   SER   5           HA       SER   5   1.979   3.612  -2.013
   35   1HB   SER   5          HB2       SER   5   4.006   4.948  -2.757
   36   2HB   SER   5          HB1       SER   5   4.377   3.635  -3.871
   37    HG   SER   5           HG       SER   5   2.464   5.593  -4.013
   38    H    PHE   6           HN       PHE   6   4.089   0.895  -2.433
   39    HA   PHE   6           HA       PHE   6   2.524  -0.269  -4.662
   40   1HB   PHE   6          HB2       PHE   6   5.049  -0.833  -3.153
   41   2HB   PHE   6          HB1       PHE   6   4.269  -2.179  -3.981
   42    HD1  PHE   6           HD1      PHE   6   5.747   1.196  -4.444
   43    HD2  PHE   6           HD2      PHE   6   4.267  -2.346  -6.372
   44    HE1  PHE   6           HE1      PHE   6   6.684   1.979  -6.602
   45    HE2  PHE   6           HE2      PHE   6   5.204  -1.562  -8.530
   46    HZ   PHE   6           HZ       PHE   6   6.413   0.600  -8.645
   47    H    SER   7           HN       SER   7   3.440  -1.261  -1.322
   48    HA   SER   7           HA       SER   7   1.199  -3.198  -1.276
   49   1HB   SER   7          HB2       SER   7   2.277  -3.921   0.804
   50   2HB   SER   7          HB1       SER   7   3.488  -3.753  -0.463
   51    HG   SER   7           HG       SER   7   3.076  -2.273   1.847
   52    H    CYS   8           HN       CYS   8  -0.275  -3.188   0.635
   53    HA   CYS   8           HA       CYS   8  -0.829  -0.404   1.620
   54   1HB   CYS   8          HB2       CYS   8  -2.453  -1.107  -0.033
   55   2HB   CYS   8          HB1       CYS   8  -2.662  -2.664   0.767
   56    H    GLU   9           HN       GLU   9  -1.315  -3.888   2.355
   57    HA   GLU   9           HA       GLU   9  -1.750  -3.294   5.220
   58   1HB   GLU   9          HB2       GLU   9  -3.014  -5.016   3.876
   59   2HB   GLU   9          HB1       GLU   9  -1.513  -5.930   3.735
   60   1HG   GLU   9          HG2       GLU   9  -2.689  -6.872   5.596
   61   2HG   GLU   9          HG1       GLU   9  -1.391  -5.893   6.279
   62    H    ILE  10           HN       ILE  10   0.695  -4.865   3.146
   63    HA   ILE  10           HA       ILE  10   2.417  -5.651   5.358
   64    HB   ILE  10           HB       ILE  10   2.825  -5.379   2.361
   65   1HG1  ILE  10          HG12      ILE  10   1.084  -7.015   3.142
   66   2HG1  ILE  10          HG11      ILE  10   2.438  -7.783   2.315
   67   1HG2  ILE  10          HG21      ILE  10   5.007  -5.357   3.316
   68   2HG2  ILE  10          HG22      ILE  10   4.727  -7.030   2.838
   69   3HG2  ILE  10          HG23      ILE  10   4.571  -6.560   4.530
   70   1HD1  ILE  10          HD11      ILE  10   3.391  -8.542   4.363
   71   2HD1  ILE  10          HD12      ILE  10   1.667  -8.883   4.500
   72   3HD1  ILE  10          HD13      ILE  10   2.358  -7.486   5.324
   73    H    GLU  11           HN       GLU  11   4.406  -4.671   5.974
   74    HA   GLU  11           HA       GLU  11   4.537  -1.743   5.541
   75   1HB   GLU  11          HB2       GLU  11   4.844  -3.335   7.712
   76   2HB   GLU  11          HB1       GLU  11   6.527  -3.204   7.200
   77   1HG   GLU  11          HG2       GLU  11   5.538  -0.602   6.961
   78   2HG   GLU  11          HG1       GLU  11   4.825  -1.201   8.459
   79    H    LYS  12           HN       LYS  12   6.359  -4.673   4.721
   80    HA   LYS  12           HA       LYS  12   8.657  -3.152   3.662
   81   1HB   LYS  12          HB2       LYS  12   7.834  -6.053   3.877
   82   2HB   LYS  12          HB1       LYS  12   9.261  -5.578   2.955
   83   1HG   LYS  12          HG2       LYS  12  10.024  -4.313   5.036
   84   2HG   LYS  12          HG1       LYS  12   8.739  -5.152   5.904
   85   1HD   LYS  12          HD2       LYS  12  10.748  -6.674   4.246
   86   2HD   LYS  12          HD1       LYS  12  11.098  -6.226   5.915
   87   1HE   LYS  12          HE2       LYS  12   8.427  -7.419   5.599
   88   2HE   LYS  12          HE1       LYS  12   9.745  -8.518   5.150
   89   1HZ   LYS  12          HZ1       LYS  12   9.634  -6.912   7.651
   90   2HZ   LYS  12          HZ2       LYS  12  10.866  -7.999   7.214
   91   3HZ   LYS  12          HZ3       LYS  12   9.302  -8.572   7.547
   92    H    GLU  13           HN       GLU  13   8.941  -2.637   1.496
   93    HA   GLU  13           HA       GLU  13   6.681  -3.204  -0.352
   94   1HB   GLU  13          HB2       GLU  13   7.747  -0.914   0.129
   95   2HB   GLU  13          HB1       GLU  13   9.132  -1.485  -0.801
   96   1HG   GLU  13          HG2       GLU  13   6.617  -2.004  -2.184
   97   2HG   GLU  13          HG1       GLU  13   6.836  -0.286  -1.845
   98    H    GLY  14           HN       GLY  14  10.244  -3.546  -0.233
   99   1HA   GLY  14          HA2       GLY  14  10.674  -6.011  -1.240
  100   2HA   GLY  14          HA1       GLY  14  10.230  -5.146  -2.713
  101    H    ASP  15           HN       ASP  15  11.453  -2.900  -2.853
  102    HA   ASP  15           HA       ASP  15  14.345  -3.529  -2.667
  103   1HB   ASP  15          HB2       ASP  15  12.954  -2.498  -4.648
  104   2HB   ASP  15          HB1       ASP  15  13.142  -0.989  -3.753
  105    H    LYS  16           HN       LYS  16  11.957  -1.372  -1.208
  106    HA   LYS  16           HA       LYS  16  14.009  -0.520   0.777
  107   1HB   LYS  16          HB2       LYS  16  13.374   1.831   0.447
  108   2HB   LYS  16          HB1       LYS  16  13.921   1.139  -1.080
  109   1HG   LYS  16          HG2       LYS  16  11.516   0.689  -1.661
  110   2HG   LYS  16          HG1       LYS  16  11.050   1.569  -0.205
  111   1HD   LYS  16          HD2       LYS  16  12.434   3.519  -1.104
  112   2HD   LYS  16          HD1       LYS  16  12.504   2.638  -2.631
  113   1HE   LYS  16          HE2       LYS  16   9.851   2.480  -2.220
  114   2HE   LYS  16          HE1       LYS  16  10.172   3.984  -1.335
  115   1HZ   LYS  16          HZ1       LYS  16   9.790   4.391  -3.711
  116   2HZ   LYS  16          HZ2       LYS  16  11.109   3.391  -4.095
  117   3HZ   LYS  16          HZ3       LYS  16  11.358   4.840  -3.242
  118    HA   PRO  17           HA       PRO  17  10.528  -1.296   3.408
  119   1HB   PRO  17          HB2       PRO  17  11.570  -0.290   5.726
  120   2HB   PRO  17          HB1       PRO  17  12.077  -1.844   5.036
  121   1HG   PRO  17          HG2       PRO  17  13.437   0.795   4.952
  122   2HG   PRO  17          HG1       PRO  17  14.127  -0.829   5.093
  123   1HD   PRO  17          HD2       PRO  17  14.076   0.635   2.769
  124   2HD   PRO  17          HD1       PRO  17  14.181  -1.137   2.836
  125    H    CYS  18           HN       CYS  18   8.697  -0.090   3.895
  126    HA   CYS  18           HA       CYS  18   8.974   2.850   4.346
  127   1HB   CYS  18          HB2       CYS  18   6.972   3.035   2.708
  128   2HB   CYS  18          HB1       CYS  18   8.565   2.752   2.012
  129    H    LYS  19           HN       LYS  19   6.664   3.738   4.943
  130    HA   LYS  19           HA       LYS  19   5.595   1.990   7.077
  131   1HB   LYS  19          HB2       LYS  19   5.823   4.818   6.454
  132   2HB   LYS  19          HB1       LYS  19   4.174   4.419   6.936
  133   1HG   LYS  19          HG2       LYS  19   5.278   4.884   8.978
  134   2HG   LYS  19          HG1       LYS  19   5.255   3.122   8.888
  135   1HD   LYS  19          HD2       LYS  19   7.495   3.184   9.154
  136   2HD   LYS  19          HD1       LYS  19   7.585   3.849   7.523
  137   1HE   LYS  19          HE2       LYS  19   7.821   6.043   8.282
  138   2HE   LYS  19          HE1       LYS  19   7.003   5.704   9.820
  139   1HZ   LYS  19          HZ1       LYS  19   9.659   4.653   8.991
  140   2HZ   LYS  19          HZ2       LYS  19   8.863   4.274  10.443
  141   3HZ   LYS  19          HZ3       LYS  19   9.391   5.861  10.151
  142    H    LYS  20           HN       LYS  20   3.067   2.135   7.318
  143    HA   LYS  20           HA       LYS  20   1.898   0.980   4.896
  144   1HB   LYS  20          HB2       LYS  20   1.065   1.536   7.736
  145   2HB   LYS  20          HB1       LYS  20  -0.146   1.043   6.551
  146   1HG   LYS  20          HG2       LYS  20   0.844  -1.050   6.209
  147   2HG   LYS  20          HG1       LYS  20   2.417  -0.512   6.797
  148   1HD   LYS  20          HD2       LYS  20   0.213  -0.349   8.768
  149   2HD   LYS  20          HD1       LYS  20   0.672  -1.981   8.286
  150   1HE   LYS  20          HE2       LYS  20   3.046  -0.368   8.735
  151   2HE   LYS  20          HE1       LYS  20   2.004  -0.367  10.171
  152   1HZ   LYS  20          HZ1       LYS  20   1.837  -2.760  10.041
  153   2HZ   LYS  20          HZ2       LYS  20   3.475  -2.315  10.110
  154   3HZ   LYS  20          HZ3       LYS  20   2.785  -2.791   8.634
  155    H    LYS  21           HN       LYS  21   0.854   2.136   3.331
  156    HA   LYS  21           HA       LYS  21   0.231   5.002   3.809
  157   1HB   LYS  21          HB2       LYS  21   1.517   4.112   1.821
  158   2HB   LYS  21          HB1       LYS  21   0.034   3.319   1.290
  159   1HG   LYS  21          HG2       LYS  21  -1.043   5.342   0.832
  160   2HG   LYS  21          HG1       LYS  21   0.003   6.260   1.916
  161   1HD   LYS  21          HD2       LYS  21   1.667   6.479   0.351
  162   2HD   LYS  21          HD1       LYS  21   1.336   4.905  -0.372
  163   1HE   LYS  21          HE2       LYS  21  -0.867   6.845  -0.706
  164   2HE   LYS  21          HE1       LYS  21   0.638   7.301  -1.528
  165   1HZ   LYS  21          HZ1       LYS  21  -0.586   4.596  -1.669
  166   2HZ   LYS  21          HZ2       LYS  21   0.758   5.155  -2.545
  167   3HZ   LYS  21          HZ3       LYS  21  -0.786   5.788  -2.858
  168    H    LYS  22           HN       LYS  22  -1.892   5.861   3.240
  169    HA   LYS  22           HA       LYS  22  -4.099   3.979   3.889
  170   1HB   LYS  22          HB2       LYS  22  -3.937   6.999   3.585
  171   2HB   LYS  22          HB1       LYS  22  -5.355   6.118   4.155
  172   1HG   LYS  22          HG2       LYS  22  -4.512   6.235   6.239
  173   2HG   LYS  22          HG1       LYS  22  -3.203   5.174   5.715
  174   1HD   LYS  22          HD2       LYS  22  -1.851   7.081   5.049
  175   2HD   LYS  22          HD1       LYS  22  -3.180   8.189   5.392
  176   1HE   LYS  22          HE2       LYS  22  -3.014   6.954   7.798
  177   2HE   LYS  22          HE1       LYS  22  -1.320   6.838   7.282
  178   1HZ   LYS  22          HZ1       LYS  22  -1.737   8.958   8.373
  179   2HZ   LYS  22          HZ2       LYS  22  -2.977   9.309   7.267
  180   3HZ   LYS  22          HZ3       LYS  22  -1.366   9.199   6.736
  181    H    CYS  23           HN       CYS  23  -6.085   4.037   2.554
  182    HA   CYS  23           HA       CYS  23  -5.470   4.422  -0.347
  183   1HB   CYS  23          HB2       CYS  23  -7.274   2.688   1.310
  184   2HB   CYS  23          HB1       CYS  23  -7.754   3.044  -0.349
  185    H    LYS  24           HN       LYS  24  -7.703   4.970  -1.572
  186    HA   LYS  24           HA       LYS  24  -8.488   7.632  -0.676
  187   1HB   LYS  24          HB2       LYS  24  -8.673   5.910  -3.020
  188   2HB   LYS  24          HB1       LYS  24 -10.183   6.778  -2.744
  189   1HG   LYS  24          HG2       LYS  24  -8.057   8.618  -2.290
  190   2HG   LYS  24          HG1       LYS  24  -7.717   7.786  -3.807
  191   1HD   LYS  24          HD2       LYS  24 -10.499   8.357  -3.794
  192   2HD   LYS  24          HD1       LYS  24  -9.672   9.830  -3.289
  193   1HE   LYS  24          HE2       LYS  24  -8.098   8.868  -5.395
  194   2HE   LYS  24          HE1       LYS  24  -9.768   8.602  -5.934
  195   1HZ   LYS  24          HZ1       LYS  24  -8.689  11.132  -4.802
  196   2HZ   LYS  24          HZ2       LYS  24 -10.300  10.874  -5.276
  197   3HZ   LYS  24          HZ3       LYS  24  -9.059  10.860  -6.435
  198    H    GLY  25           HN       GLY  25 -11.095   7.986  -1.023
  199   1HA   GLY  25          HA2       GLY  25 -12.325   6.780   1.288
  200   2HA   GLY  25          HA1       GLY  25 -13.143   7.807   0.113
  201    H    GLY  26           HN       GLY  26 -13.200   6.520  -2.192
  202   1HA   GLY  26          HA2       GLY  26 -14.738   4.064  -1.589
  203   2HA   GLY  26          HA1       GLY  26 -14.717   4.916  -3.132
  204    H    TRP  27           HN       TRP  27 -12.061   3.616  -1.112
  205    HA   TRP  27           HA       TRP  27 -11.276   1.863  -3.413
  206   1HB   TRP  27          HB2       TRP  27  -9.786   3.975  -1.899
  207   2HB   TRP  27          HB1       TRP  27  -8.883   2.559  -2.437
  208    HD1  TRP  27           HD1      TRP  27 -11.223   5.268  -3.890
  209    HE1  TRP  27           HE1      TRP  27 -10.554   5.679  -6.344
  210    HE3  TRP  27           HE3      TRP  27  -7.590   1.715  -4.426
  211    HZ2  TRP  27           HZ2      TRP  27  -8.725   4.643  -8.277
  212    HZ3  TRP  27           HZ3      TRP  27  -6.404   1.453  -6.586
  213    HH2  TRP  27           HH2      TRP  27  -6.967   2.909  -8.510
  214    H    LYS  28           HN       LYS  28 -11.011  -0.226  -2.754
  215    HA   LYS  28           HA       LYS  28 -10.960  -0.842   0.152
  216   1HB   LYS  28          HB2       LYS  28 -12.475  -1.850  -1.735
  217   2HB   LYS  28          HB1       LYS  28 -11.053  -2.820  -2.121
  218   1HG   LYS  28          HG2       LYS  28 -11.079  -3.919  -0.052
  219   2HG   LYS  28          HG1       LYS  28 -12.032  -2.650   0.719
  220   1HD   LYS  28          HD2       LYS  28 -14.020  -3.312  -0.441
  221   2HD   LYS  28          HD1       LYS  28 -13.115  -4.381  -1.513
  222   1HE   LYS  28          HE2       LYS  28 -12.485  -5.217   1.123
  223   2HE   LYS  28          HE1       LYS  28 -14.243  -4.989   1.075
  224   1HZ   LYS  28          HZ1       LYS  28 -13.625  -7.188   0.257
  225   2HZ   LYS  28          HZ2       LYS  28 -12.640  -6.486  -0.934
  226   3HZ   LYS  28          HZ3       LYS  28 -14.323  -6.260  -0.979
  227    H    CYS  29           HN       CYS  29  -9.065  -1.383   1.144
  228    HA   CYS  29           HA       CYS  29  -6.558  -1.562  -0.327
  229   1HB   CYS  29          HB2       CYS  29  -6.601  -0.584   1.871
  230   2HB   CYS  29          HB1       CYS  29  -7.418  -1.990   2.550
  231    H    LYS  30           HN       LYS  30  -5.772  -3.400  -1.271
  232    HA   LYS  30           HA       LYS  30  -7.049  -6.012  -0.729
  233   1HB   LYS  30          HB2       LYS  30  -5.862  -4.676  -2.912
  234   2HB   LYS  30          HB1       LYS  30  -4.777  -6.017  -2.544
  235   1HG   LYS  30          HG2       LYS  30  -6.603  -7.609  -2.690
  236   2HG   LYS  30          HG1       LYS  30  -7.775  -6.306  -2.878
  237   1HD   LYS  30          HD2       LYS  30  -7.466  -6.895  -5.098
  238   2HD   LYS  30          HD1       LYS  30  -6.222  -5.656  -4.931
  239   1HE   LYS  30          HE2       LYS  30  -4.528  -7.167  -5.175
  240   2HE   LYS  30          HE1       LYS  30  -5.335  -8.366  -4.145
  241   1HZ   LYS  30          HZ1       LYS  30  -6.156  -7.678  -6.920
  242   2HZ   LYS  30          HZ2       LYS  30  -6.858  -8.867  -5.929
  243   3HZ   LYS  30          HZ3       LYS  30  -5.266  -9.057  -6.490
  244    H    PHE  31           HN       PHE  31  -4.934  -7.764  -1.124
  245    HA   PHE  31           HA       PHE  31  -3.723  -7.963   1.468
  246   1HB   PHE  31          HB2       PHE  31  -3.690  -9.332  -1.148
  247   2HB   PHE  31          HB1       PHE  31  -2.205  -9.531  -0.218
  248    HD1  PHE  31           HD1      PHE  31  -5.903  -9.442   0.476
  249    HD2  PHE  31           HD2      PHE  31  -2.137 -11.393   1.162
  250    HE1  PHE  31           HE1      PHE  31  -7.029 -11.104   1.929
  251    HE2  PHE  31           HE2      PHE  31  -3.264 -13.056   2.615
  252    HZ   PHE  31           HZ       PHE  31  -5.710 -12.912   2.999
  253    H    ASN  32           HN       ASN  32  -2.363  -6.938  -1.689
  254    HA   ASN  32           HA       ASN  32  -0.198  -5.500  -0.201
  255   1HB   ASN  32          HB2       ASN  32   0.348  -7.843  -1.208
  256   2HB   ASN  32          HB1       ASN  32   0.284  -7.015  -2.764
  257   1HD2  ASN  32          HD21      ASN  32   1.839  -6.652   0.480
  258   2HD2  ASN  32          HD22      ASN  32   3.280  -5.994  -0.127
  259    H    MET  33           HN       MET  33  -2.756  -4.683  -1.679
  260    HA   MET  33           HA       MET  33  -1.561  -2.465  -3.185
  261   1HB   MET  33          HB2       MET  33  -2.050  -4.860  -4.507
  262   2HB   MET  33          HB1       MET  33  -3.488  -3.904  -4.870
  263   1HG   MET  33          HG2       MET  33  -2.254  -2.206  -5.916
  264   2HG   MET  33          HG1       MET  33  -0.756  -2.668  -5.111
  265   1HE   MET  33          HE1       MET  33  -2.134  -3.510  -9.129
  266   2HE   MET  33          HE2       MET  33  -2.797  -2.497  -7.850
  267   3HE   MET  33          HE3       MET  33  -3.371  -4.152  -8.040
  268    H    CYS  34           HN       CYS  34  -3.791  -1.573  -4.552
  269    HA   CYS  34           HA       CYS  34  -6.061  -1.556  -2.613
  270   1HB   CYS  34          HB2       CYS  34  -4.288   0.290  -2.239
  271   2HB   CYS  34          HB1       CYS  34  -4.864   0.978  -3.756
  272    H    VAL  35           HN       VAL  35  -7.976  -1.691  -3.735
  273    HA   VAL  35           HA       VAL  35  -7.976  -0.877  -6.629
  274    HB   VAL  35           HB       VAL  35  -9.355  -3.215  -5.259
  275   1HG1  VAL  35          HG11      VAL  35  -9.862  -3.875  -7.649
  276   2HG1  VAL  35          HG12      VAL  35  -9.310  -2.274  -8.142
  277   3HG1  VAL  35          HG13      VAL  35 -10.720  -2.437  -7.095
  278   1HG2  VAL  35          HG21      VAL  35  -7.794  -4.487  -6.880
  279   2HG2  VAL  35          HG22      VAL  35  -7.053  -3.769  -5.449
  280   3HG2  VAL  35          HG23      VAL  35  -6.906  -2.969  -7.014
  281    H    LYS  36           HN       LYS  36  -9.869   0.170  -7.356
  282    HA   LYS  36           HA       LYS  36 -11.393   1.688  -5.462
  283   1HB   LYS  36          HB2       LYS  36 -10.914   1.667  -8.185
  284   2HB   LYS  36          HB1       LYS  36 -12.615   1.210  -8.098
  285   1HG   LYS  36          HG2       LYS  36 -11.932   3.395  -6.269
  286   2HG   LYS  36          HG1       LYS  36 -11.640   3.799  -7.960
  287   1HD   LYS  36          HD2       LYS  36 -14.090   2.502  -8.047
  288   2HD   LYS  36          HD1       LYS  36 -14.181   3.427  -6.547
  289   1HE   LYS  36          HE2       LYS  36 -14.935   4.993  -8.140
  290   2HE   LYS  36          HE1       LYS  36 -13.208   5.386  -8.032
  291   1HZ   LYS  36          HZ1       LYS  36 -13.860   5.087 -10.339
  292   2HZ   LYS  36          HZ2       LYS  36 -14.455   3.533  -9.999
  293   3HZ   LYS  36          HZ3       LYS  36 -12.792   3.855  -9.872
  294    H    VAL  37           HN       VAL  37 -13.471   1.360  -4.636
  295    HA   VAL  37           HA       VAL  37 -14.427  -1.362  -4.390
  296    HB   VAL  37           HB       VAL  37 -14.587   0.542  -2.719
  297   1HG1  VAL  37          HG11      VAL  37 -15.426   2.165  -4.537
  298   2HG1  VAL  37          HG12      VAL  37 -16.226   2.240  -2.968
  299   3HG1  VAL  37          HG13      VAL  37 -17.003   1.409  -4.314
  300   1HG2  VAL  37          HG21      VAL  37 -17.395  -0.303  -3.064
  301   2HG2  VAL  37          HG22      VAL  37 -16.302  -0.553  -1.702
  302   3HG2  VAL  37          HG23      VAL  37 -16.228  -1.623  -3.103
  Start of MODEL    3
    1   1H    LEU   1          HT1       LEU   1 -12.379   9.516  -5.491
    2   2H    LEU   1          HT2       LEU   1 -10.740   9.956  -5.476
    3   3H    LEU   1          HT3       LEU   1 -11.740  10.353  -4.164
    4    HA   LEU   1           HA       LEU   1 -12.038   7.970  -3.674
    5   1HB   LEU   1          HB2       LEU   1 -11.370   7.722  -6.287
    6   2HB   LEU   1          HB1       LEU   1  -9.809   7.361  -5.551
    7    HG   LEU   1           HG       LEU   1 -11.356   5.847  -3.963
    8   1HD1  LEU   1          HD11      LEU   1 -13.497   6.058  -4.792
    9   2HD1  LEU   1          HD12      LEU   1 -12.938   4.735  -5.816
   10   3HD1  LEU   1          HD13      LEU   1 -12.943   6.386  -6.435
   11   1HD2  LEU   1          HD21      LEU   1  -9.442   5.043  -5.276
   12   2HD2  LEU   1          HD22      LEU   1 -10.412   5.087  -6.748
   13   3HD2  LEU   1          HD23      LEU   1 -10.807   3.942  -5.465
   14    H    PHE   2           HN       PHE   2 -10.768   7.341  -1.923
   15    HA   PHE   2           HA       PHE   2  -8.455   9.018  -1.236
   16   1HB   PHE   2          HB2       PHE   2 -10.448   7.927   0.187
   17   2HB   PHE   2          HB1       PHE   2  -9.282   6.613   0.336
   18    HD1  PHE   2           HD1      PHE   2  -7.079   6.990   1.409
   19    HD2  PHE   2           HD2      PHE   2 -10.063  10.074   1.229
   20    HE1  PHE   2           HE1      PHE   2  -5.852   8.276   3.137
   21    HE2  PHE   2           HE2      PHE   2  -8.837  11.360   2.958
   22    HZ   PHE   2           HZ       PHE   2  -6.732  10.462   3.912
   23    H    GLU   3           HN       GLU   3  -6.305   8.318  -1.144
   24    HA   GLU   3           HA       GLU   3  -5.529   6.032  -2.778
   25   1HB   GLU   3          HB2       GLU   3  -4.399   8.371  -2.220
   26   2HB   GLU   3          HB1       GLU   3  -3.698   7.470  -0.877
   27   1HG   GLU   3          HG2       GLU   3  -2.136   7.294  -2.681
   28   2HG   GLU   3          HG1       GLU   3  -2.955   5.736  -2.588
   29    H    CYS   4           HN       CYS   4  -4.239   4.183  -1.926
   30    HA   CYS   4           HA       CYS   4  -5.286   3.264   0.688
   31   1HB   CYS   4          HB2       CYS   4  -4.778   2.090  -1.767
   32   2HB   CYS   4          HB1       CYS   4  -3.432   1.526  -0.780
   33    H    SER   5           HN       SER   5  -4.096   4.349   2.278
   34    HA   SER   5           HA       SER   5  -1.169   4.551   2.154
   35   1HB   SER   5          HB2       SER   5  -1.533   5.621   4.376
   36   2HB   SER   5          HB1       SER   5  -2.584   6.298   3.135
   37    HG   SER   5           HG       SER   5  -4.207   5.665   4.297
   38    H    PHE   6           HN       PHE   6  -3.564   2.456   3.703
   39    HA   PHE   6           HA       PHE   6  -1.725   1.180   5.552
   40   1HB   PHE   6          HB2       PHE   6  -4.515   1.180   4.865
   41   2HB   PHE   6          HB1       PHE   6  -3.950  -0.489   4.900
   42    HD1  PHE   6           HD1      PHE   6  -4.847   2.398   6.876
   43    HD2  PHE   6           HD2      PHE   6  -2.666  -1.303   6.947
   44    HE1  PHE   6           HE1      PHE   6  -4.851   2.442   9.356
   45    HE2  PHE   6           HE2      PHE   6  -2.671  -1.258   9.425
   46    HZ   PHE   6           HZ       PHE   6  -3.762   0.614  10.630
   47    H    SER   7           HN       SER   7  -3.055   0.247   2.347
   48    HA   SER   7           HA       SER   7  -0.976  -1.916   2.222
   49   1HB   SER   7          HB2       SER   7  -2.566  -3.130   0.877
   50   2HB   SER   7          HB1       SER   7  -3.441  -2.510   2.272
   51    HG   SER   7           HG       SER   7  -3.725  -1.944  -0.385
   52    H    CYS   8           HN       CYS   8   0.387  -1.966   0.434
   53    HA   CYS   8           HA       CYS   8   0.055   0.226  -1.596
   54   1HB   CYS   8          HB2       CYS   8   2.563   0.109  -1.718
   55   2HB   CYS   8          HB1       CYS   8   1.968   0.561  -0.122
   56    H    GLU   9           HN       GLU   9   0.425  -3.218  -1.121
   57    HA   GLU   9           HA       GLU   9   1.372  -3.820  -3.815
   58   1HB   GLU   9          HB2       GLU   9   1.625  -5.164  -1.640
   59   2HB   GLU   9          HB1       GLU   9  -0.054  -5.648  -1.870
   60   1HG   GLU   9          HG2       GLU   9   1.285  -7.369  -2.866
   61   2HG   GLU   9          HG1       GLU   9   0.610  -6.430  -4.198
   62    H    ILE  10           HN       ILE  10  -1.802  -3.980  -2.160
   63    HA   ILE  10           HA       ILE  10  -3.107  -4.237  -4.855
   64    HB   ILE  10           HB       ILE  10  -4.040  -5.170  -2.114
   65   1HG1  ILE  10          HG12      ILE  10  -3.637  -7.370  -3.815
   66   2HG1  ILE  10          HG11      ILE  10  -2.223  -6.345  -4.061
   67   1HG2  ILE  10          HG21      ILE  10  -5.613  -6.547  -3.633
   68   2HG2  ILE  10          HG22      ILE  10  -5.177  -5.402  -4.901
   69   3HG2  ILE  10          HG23      ILE  10  -5.974  -4.833  -3.434
   70   1HD1  ILE  10          HD11      ILE  10  -3.192  -7.657  -1.538
   71   2HD1  ILE  10          HD12      ILE  10  -2.229  -6.183  -1.438
   72   3HD1  ILE  10          HD13      ILE  10  -1.565  -7.619  -2.217
   73    H    GLU  11           HN       GLU  11  -5.278  -3.150  -4.962
   74    HA   GLU  11           HA       GLU  11  -5.217  -0.544  -3.557
   75   1HB   GLU  11          HB2       GLU  11  -6.973   0.020  -5.203
   76   2HB   GLU  11          HB1       GLU  11  -5.586  -0.712  -6.002
   77   1HG   GLU  11          HG2       GLU  11  -6.789  -2.503  -6.691
   78   2HG   GLU  11          HG1       GLU  11  -7.580  -2.682  -5.125
   79    H    LYS  12           HN       LYS  12  -5.716  -2.549  -1.717
   80    HA   LYS  12           HA       LYS  12  -8.612  -2.134  -1.071
   81   1HB   LYS  12          HB2       LYS  12  -8.040  -4.403  -2.035
   82   2HB   LYS  12          HB1       LYS  12  -6.995  -4.666  -0.638
   83   1HG   LYS  12          HG2       LYS  12  -8.791  -4.739   0.859
   84   2HG   LYS  12          HG1       LYS  12  -9.857  -3.842  -0.223
   85   1HD   LYS  12          HD2       LYS  12 -10.584  -6.138  -0.261
   86   2HD   LYS  12          HD1       LYS  12  -9.774  -5.824  -1.796
   87   1HE   LYS  12          HE2       LYS  12  -8.742  -7.829  -1.184
   88   2HE   LYS  12          HE1       LYS  12  -7.634  -6.669  -0.424
   89   1HZ   LYS  12          HZ1       LYS  12  -8.383  -8.339   1.170
   90   2HZ   LYS  12          HZ2       LYS  12 -10.000  -7.908   0.885
   91   3HZ   LYS  12          HZ3       LYS  12  -8.936  -6.798   1.606
   92    H    GLU  13           HN       GLU  13  -8.638  -0.942   0.785
   93    HA   GLU  13           HA       GLU  13  -6.362  -0.899   2.641
   94   1HB   GLU  13          HB2       GLU  13  -7.960   0.999   1.859
   95   2HB   GLU  13          HB1       GLU  13  -9.089   0.336   3.041
   96   1HG   GLU  13          HG2       GLU  13  -8.000   1.393   4.698
   97   2HG   GLU  13          HG1       GLU  13  -6.511   0.545   4.276
   98    H    GLY  14           HN       GLY  14  -9.685  -2.183   2.613
   99   1HA   GLY  14          HA2       GLY  14  -9.741  -4.402   3.976
  100   2HA   GLY  14          HA1       GLY  14  -9.229  -3.372   5.314
  101    H    ASP  15           HN       ASP  15 -10.720  -1.159   5.159
  102    HA   ASP  15           HA       ASP  15 -13.531  -2.171   5.379
  103   1HB   ASP  15          HB2       ASP  15 -11.769  -0.611   7.028
  104   2HB   ASP  15          HB1       ASP  15 -13.159   0.383   6.594
  105    H    LYS  16           HN       LYS  16 -11.492   0.282   3.843
  106    HA   LYS  16           HA       LYS  16 -13.924   1.334   2.425
  107   1HB   LYS  16          HB2       LYS  16 -11.369   2.706   3.323
  108   2HB   LYS  16          HB1       LYS  16 -12.620   3.480   2.349
  109   1HG   LYS  16          HG2       LYS  16 -14.262   2.836   4.203
  110   2HG   LYS  16          HG1       LYS  16 -12.848   2.450   5.184
  111   1HD   LYS  16          HD2       LYS  16 -12.678   4.627   5.720
  112   2HD   LYS  16          HD1       LYS  16 -12.338   4.981   4.026
  113   1HE   LYS  16          HE2       LYS  16 -14.852   5.019   3.631
  114   2HE   LYS  16          HE1       LYS  16 -15.047   4.963   5.395
  115   1HZ   LYS  16          HZ1       LYS  16 -14.950   7.253   4.623
  116   2HZ   LYS  16          HZ2       LYS  16 -13.448   6.966   3.884
  117   3HZ   LYS  16          HZ3       LYS  16 -13.593   6.896   5.575
  118    HA   PRO  17           HA       PRO  17 -11.847   0.100  -1.282
  119   1HB   PRO  17          HB2       PRO  17 -13.152   1.708  -3.071
  120   2HB   PRO  17          HB1       PRO  17 -13.903   0.282  -2.329
  121   1HG   PRO  17          HG2       PRO  17 -14.229   3.159  -1.654
  122   2HG   PRO  17          HG1       PRO  17 -15.427   1.857  -1.659
  123   1HD   PRO  17          HD2       PRO  17 -14.239   2.835   0.606
  124   2HD   PRO  17          HD1       PRO  17 -14.898   1.191   0.460
  125    H    CYS  18           HN       CYS  18  -9.770   0.751  -1.724
  126    HA   CYS  18           HA       CYS  18  -9.224   3.692  -2.017
  127   1HB   CYS  18          HB2       CYS  18  -6.993   3.137  -1.108
  128   2HB   CYS  18          HB1       CYS  18  -8.266   2.619  -0.004
  129    H    LYS  19           HN       LYS  19  -7.024   3.957  -3.301
  130    HA   LYS  19           HA       LYS  19  -7.301   2.404  -5.841
  131   1HB   LYS  19          HB2       LYS  19  -7.216   5.093  -5.262
  132   2HB   LYS  19          HB1       LYS  19  -5.540   4.773  -5.705
  133   1HG   LYS  19          HG2       LYS  19  -6.584   3.498  -7.738
  134   2HG   LYS  19          HG1       LYS  19  -8.028   4.438  -7.363
  135   1HD   LYS  19          HD2       LYS  19  -6.941   5.849  -8.868
  136   2HD   LYS  19          HD1       LYS  19  -6.359   6.469  -7.322
  137   1HE   LYS  19          HE2       LYS  19  -4.383   4.811  -7.613
  138   2HE   LYS  19          HE1       LYS  19  -4.897   4.719  -9.310
  139   1HZ   LYS  19          HZ1       LYS  19  -4.280   7.207  -7.802
  140   2HZ   LYS  19          HZ2       LYS  19  -4.853   7.150  -9.400
  141   3HZ   LYS  19          HZ3       LYS  19  -3.322   6.520  -9.019
  142    H    LYS  20           HN       LYS  20  -4.875   2.607  -6.993
  143    HA   LYS  20           HA       LYS  20  -3.191   0.774  -5.435
  144   1HB   LYS  20          HB2       LYS  20  -2.887   2.146  -8.132
  145   2HB   LYS  20          HB1       LYS  20  -1.817   0.879  -7.534
  146   1HG   LYS  20          HG2       LYS  20  -4.595   0.071  -7.295
  147   2HG   LYS  20          HG1       LYS  20  -4.216   0.524  -8.956
  148   1HD   LYS  20          HD2       LYS  20  -3.620  -1.746  -8.891
  149   2HD   LYS  20          HD1       LYS  20  -2.080  -0.929  -8.622
  150   1HE   LYS  20          HE2       LYS  20  -3.411  -1.275  -6.083
  151   2HE   LYS  20          HE1       LYS  20  -3.316  -2.836  -6.922
  152   1HZ   LYS  20          HZ1       LYS  20  -1.272  -2.351  -5.691
  153   2HZ   LYS  20          HZ2       LYS  20  -1.057  -0.928  -6.593
  154   3HZ   LYS  20          HZ3       LYS  20  -0.983  -2.444  -7.359
  155    H    LYS  21           HN       LYS  21  -1.729   1.516  -3.956
  156    HA   LYS  21           HA       LYS  21  -0.653   4.292  -4.251
  157   1HB   LYS  21          HB2       LYS  21  -1.857   2.992  -2.161
  158   2HB   LYS  21          HB1       LYS  21  -0.154   2.722  -1.794
  159   1HG   LYS  21          HG2       LYS  21  -0.585   5.457  -2.653
  160   2HG   LYS  21          HG1       LYS  21  -1.637   5.061  -1.293
  161   1HD   LYS  21          HD2       LYS  21   0.288   4.266   0.001
  162   2HD   LYS  21          HD1       LYS  21   1.357   4.579  -1.367
  163   1HE   LYS  21          HE2       LYS  21   1.659   6.554  -0.170
  164   2HE   LYS  21          HE1       LYS  21   0.270   7.028  -1.167
  165   1HZ   LYS  21          HZ1       LYS  21  -0.220   7.469   1.139
  166   2HZ   LYS  21          HZ2       LYS  21   0.167   5.874   1.573
  167   3HZ   LYS  21          HZ3       LYS  21  -1.195   6.188   0.605
  168    H    LYS  22           HN       LYS  22   1.519   4.582  -4.645
  169    HA   LYS  22           HA       LYS  22   3.237   2.152  -4.896
  170   1HB   LYS  22          HB2       LYS  22   3.352   5.002  -5.926
  171   2HB   LYS  22          HB1       LYS  22   4.691   3.874  -6.128
  172   1HG   LYS  22          HG2       LYS  22   1.916   3.067  -6.966
  173   2HG   LYS  22          HG1       LYS  22   2.898   4.076  -8.029
  174   1HD   LYS  22          HD2       LYS  22   4.733   2.200  -7.410
  175   2HD   LYS  22          HD1       LYS  22   3.270   1.229  -7.243
  176   1HE   LYS  22          HE2       LYS  22   2.621   2.299  -9.564
  177   2HE   LYS  22          HE1       LYS  22   4.367   2.582  -9.698
  178   1HZ   LYS  22          HZ1       LYS  22   3.810   0.393 -10.547
  179   2HZ   LYS  22          HZ2       LYS  22   3.062  -0.019  -9.079
  180   3HZ   LYS  22          HZ3       LYS  22   4.740   0.246  -9.136
  181    H    CYS  23           HN       CYS  23   4.876   1.810  -3.424
  182    HA   CYS  23           HA       CYS  23   5.187   3.547  -1.113
  183   1HB   CYS  23          HB2       CYS  23   6.365   1.013  -2.192
  184   2HB   CYS  23          HB1       CYS  23   7.236   1.846  -0.905
  185    H    LYS  24           HN       LYS  24   7.498   4.269  -0.466
  186    HA   LYS  24           HA       LYS  24   8.511   6.157  -2.384
  187   1HB   LYS  24          HB2       LYS  24   9.244   5.094   0.312
  188   2HB   LYS  24          HB1       LYS  24  10.485   5.985  -0.565
  189   1HG   LYS  24          HG2       LYS  24   9.483   7.799   0.394
  190   2HG   LYS  24          HG1       LYS  24   8.354   7.627  -0.950
  191   1HD   LYS  24          HD2       LYS  24   6.669   6.920   0.400
  192   2HD   LYS  24          HD1       LYS  24   7.741   5.899   1.358
  193   1HE   LYS  24          HE2       LYS  24   8.016   7.505   2.949
  194   2HE   LYS  24          HE1       LYS  24   8.234   8.781   1.735
  195   1HZ   LYS  24          HZ1       LYS  24   6.148   9.057   2.963
  196   2HZ   LYS  24          HZ2       LYS  24   5.634   7.522   2.450
  197   3HZ   LYS  24          HZ3       LYS  24   5.863   8.767   1.317
  198    H    GLY  25           HN       GLY  25  10.816   6.150  -3.193
  199   1HA   GLY  25          HA2       GLY  25  11.408   3.825  -4.730
  200   2HA   GLY  25          HA1       GLY  25  12.528   5.158  -4.452
  201    H    GLY  26           HN       GLY  26  12.854   5.012  -1.679
  202   1HA   GLY  26          HA2       GLY  26  14.590   2.656  -1.473
  203   2HA   GLY  26          HA1       GLY  26  14.457   3.951  -0.287
  204    H    TRP  27           HN       TRP  27  11.345   3.406  -0.572
  205    HA   TRP  27           HA       TRP  27  11.267   1.538   1.707
  206   1HB   TRP  27          HB2       TRP  27   9.315   3.295   0.219
  207   2HB   TRP  27          HB1       TRP  27   8.748   2.135   1.418
  208    HD1  TRP  27           HD1      TRP  27  11.462   4.903   1.223
  209    HE1  TRP  27           HE1      TRP  27  11.532   6.108   3.500
  210    HE3  TRP  27           HE3      TRP  27   7.936   2.212   3.755
  211    HZ2  TRP  27           HZ2      TRP  27  10.263   5.951   6.058
  212    HZ3  TRP  27           HZ3      TRP  27   7.387   2.761   6.108
  213    HH2  TRP  27           HH2      TRP  27   8.544   4.625   7.262
  214    H    LYS  28           HN       LYS  28  10.502  -0.565   1.614
  215    HA   LYS  28           HA       LYS  28   9.978  -1.706  -1.092
  216   1HB   LYS  28          HB2       LYS  28  11.762  -2.573   0.488
  217   2HB   LYS  28          HB1       LYS  28  10.465  -3.076   1.572
  218   1HG   LYS  28          HG2       LYS  28   9.599  -4.161  -0.774
  219   2HG   LYS  28          HG1       LYS  28  11.346  -4.262  -0.995
  220   1HD   LYS  28          HD2       LYS  28  11.570  -5.419   1.164
  221   2HD   LYS  28          HD1       LYS  28   9.829  -5.298   1.419
  222   1HE   LYS  28          HE2       LYS  28  10.418  -6.469  -1.187
  223   2HE   LYS  28          HE1       LYS  28  11.153  -7.405   0.128
  224   1HZ   LYS  28          HZ1       LYS  28   8.331  -6.467   0.052
  225   2HZ   LYS  28          HZ2       LYS  28   9.044  -7.373   1.301
  226   3HZ   LYS  28          HZ3       LYS  28   8.840  -8.058  -0.240
  227    H    CYS  29           HN       CYS  29   7.942  -2.419  -1.635
  228    HA   CYS  29           HA       CYS  29   5.764  -2.176   0.371
  229   1HB   CYS  29          HB2       CYS  29   5.494  -1.118  -1.806
  230   2HB   CYS  29          HB1       CYS  29   5.872  -2.629  -2.630
  231    H    LYS  30           HN       LYS  30   5.287  -3.992   1.535
  232    HA   LYS  30           HA       LYS  30   5.999  -6.679   0.525
  233   1HB   LYS  30          HB2       LYS  30   6.088  -5.489   2.956
  234   2HB   LYS  30          HB1       LYS  30   4.497  -6.241   3.066
  235   1HG   LYS  30          HG2       LYS  30   5.358  -8.348   3.148
  236   2HG   LYS  30          HG1       LYS  30   6.609  -7.986   1.960
  237   1HD   LYS  30          HD2       LYS  30   7.603  -8.456   4.171
  238   2HD   LYS  30          HD1       LYS  30   7.911  -6.791   3.681
  239   1HE   LYS  30          HE2       LYS  30   7.212  -6.763   6.013
  240   2HE   LYS  30          HE1       LYS  30   5.869  -6.118   5.050
  241   1HZ   LYS  30          HZ1       LYS  30   6.109  -9.011   5.634
  242   2HZ   LYS  30          HZ2       LYS  30   4.738  -8.145   5.129
  243   3HZ   LYS  30          HZ3       LYS  30   5.327  -7.959   6.709
  244    H    PHE  31           HN       PHE  31   3.752  -8.003   1.913
  245    HA   PHE  31           HA       PHE  31   1.860  -8.157  -0.235
  246   1HB   PHE  31          HB2       PHE  31   1.786  -8.998   2.681
  247   2HB   PHE  31          HB1       PHE  31   0.555  -9.466   1.507
  248    HD1  PHE  31           HD1      PHE  31   1.790 -10.230  -0.879
  249    HD2  PHE  31           HD2      PHE  31   3.346 -10.672   3.102
  250    HE1  PHE  31           HE1      PHE  31   3.238 -12.089  -1.650
  251    HE2  PHE  31           HE2      PHE  31   4.793 -12.531   2.328
  252    HZ   PHE  31           HZ       PHE  31   4.740 -13.239  -0.048
  253    H    ASN  32           HN       ASN  32   1.593  -6.589   2.995
  254    HA   ASN  32           HA       ASN  32  -0.369  -4.672   1.829
  255   1HB   ASN  32          HB2       ASN  32  -0.866  -6.839   3.799
  256   2HB   ASN  32          HB1       ASN  32  -1.580  -5.275   4.194
  257   1HD2  ASN  32          HD21      ASN  32  -1.741  -8.000   1.975
  258   2HD2  ASN  32          HD22      ASN  32  -3.104  -7.461   1.119
  259    H    MET  33           HN       MET  33   2.404  -4.350   2.760
  260    HA   MET  33           HA       MET  33   1.941  -2.202   4.751
  261   1HB   MET  33          HB2       MET  33   3.000  -4.850   5.340
  262   2HB   MET  33          HB1       MET  33   4.176  -3.597   5.734
  263   1HG   MET  33          HG2       MET  33   1.318  -3.225   6.567
  264   2HG   MET  33          HG1       MET  33   2.355  -4.296   7.508
  265   1HE   MET  33          HE1       MET  33   2.801  -1.800  10.009
  266   2HE   MET  33          HE2       MET  33   3.918  -3.102   9.611
  267   3HE   MET  33          HE3       MET  33   2.184  -3.348   9.416
  268    H    CYS  34           HN       CYS  34   3.712  -0.680   4.807
  269    HA   CYS  34           HA       CYS  34   5.726  -1.023   2.604
  270   1HB   CYS  34          HB2       CYS  34   3.798   0.674   2.371
  271   2HB   CYS  34          HB1       CYS  34   4.599   1.584   3.652
  272    H    VAL  35           HN       VAL  35   7.713  -1.352   3.561
  273    HA   VAL  35           HA       VAL  35   8.379   0.250   6.017
  274    HB   VAL  35           HB       VAL  35   9.098  -2.589   5.209
  275   1HG1  VAL  35          HG11      VAL  35   9.980  -2.335   7.770
  276   2HG1  VAL  35          HG12      VAL  35  10.315  -0.715   7.160
  277   3HG1  VAL  35          HG13      VAL  35  11.016  -2.121   6.359
  278   1HG2  VAL  35          HG21      VAL  35   7.736  -3.276   7.030
  279   2HG2  VAL  35          HG22      VAL  35   6.797  -2.016   6.230
  280   3HG2  VAL  35          HG23      VAL  35   7.682  -1.650   7.711
  281    H    LYS  36           HN       LYS  36  10.484   1.145   6.074
  282    HA   LYS  36           HA       LYS  36  11.764   1.678   3.525
  283   1HB   LYS  36          HB2       LYS  36  11.598   2.958   5.872
  284   2HB   LYS  36          HB1       LYS  36  13.131   2.131   6.146
  285   1HG   LYS  36          HG2       LYS  36  12.915   3.356   3.480
  286   2HG   LYS  36          HG1       LYS  36  12.849   4.521   4.802
  287   1HD   LYS  36          HD2       LYS  36  14.906   3.346   5.757
  288   2HD   LYS  36          HD1       LYS  36  15.028   2.515   4.206
  289   1HE   LYS  36          HE2       LYS  36  16.346   4.361   3.721
  290   2HE   LYS  36          HE1       LYS  36  14.764   5.050   3.306
  291   1HZ   LYS  36          HZ1       LYS  36  15.997   6.452   4.887
  292   2HZ   LYS  36          HZ2       LYS  36  16.018   5.172   6.002
  293   3HZ   LYS  36          HZ3       LYS  36  14.543   5.883   5.546
  294    H    VAL  37           HN       VAL  37  13.573   0.702   2.640
  295    HA   VAL  37           HA       VAL  37  14.347  -1.934   3.478
  296    HB   VAL  37           HB       VAL  37  14.419  -0.882   1.167
  297   1HG1  VAL  37          HG11      VAL  37  17.105   0.202   2.016
  298   2HG1  VAL  37          HG12      VAL  37  15.652   1.198   2.077
  299   3HG1  VAL  37          HG13      VAL  37  16.206   0.538   0.539
  300   1HG2  VAL  37          HG21      VAL  37  17.060  -2.074   2.048
  301   2HG2  VAL  37          HG22      VAL  37  16.310  -2.190   0.457
  302   3HG2  VAL  37          HG23      VAL  37  15.592  -3.030   1.831
  Start of MODEL    4
    1   1H    LEU   1          HT1       LEU   1  12.368   9.407  -4.447
    2   2H    LEU   1          HT2       LEU   1  13.652   9.286  -3.343
    3   3H    LEU   1          HT3       LEU   1  12.249  10.146  -2.926
    4    HA   LEU   1           HA       LEU   1  12.627   7.218  -3.147
    5   1HB   LEU   1          HB2       LEU   1  12.856   8.899  -1.083
    6   2HB   LEU   1          HB1       LEU   1  11.101   8.721  -1.051
    7    HG   LEU   1           HG       LEU   1  12.388   6.143  -1.409
    8   1HD1  LEU   1          HD11      LEU   1  13.501   5.981   0.751
    9   2HD1  LEU   1          HD12      LEU   1  13.077   7.650   1.133
   10   3HD1  LEU   1          HD13      LEU   1  14.224   7.306  -0.162
   11   1HD2  LEU   1          HD21      LEU   1  10.815   5.488   0.206
   12   2HD2  LEU   1          HD22      LEU   1  10.033   6.887  -0.528
   13   3HD2  LEU   1          HD23      LEU   1  10.858   7.051   1.022
   14    H    PHE   2           HN       PHE   2  10.522   6.014  -2.714
   15    HA   PHE   2           HA       PHE   2   8.152   7.372  -3.948
   16   1HB   PHE   2          HB2       PHE   2   7.804   5.091  -5.105
   17   2HB   PHE   2          HB1       PHE   2   9.108   6.101  -5.722
   18    HD1  PHE   2           HD1      PHE   2  11.391   5.401  -5.595
   19    HD2  PHE   2           HD2      PHE   2   8.342   3.184  -3.532
   20    HE1  PHE   2           HE1      PHE   2  13.020   3.589  -5.133
   21    HE2  PHE   2           HE2      PHE   2   9.972   1.373  -3.071
   22    HZ   PHE   2           HZ       PHE   2  12.311   1.576  -3.870
   23    H    GLU   3           HN       GLU   3   6.136   5.874  -3.614
   24    HA   GLU   3           HA       GLU   3   6.042   5.162  -0.740
   25   1HB   GLU   3          HB2       GLU   3   4.203   5.952  -2.913
   26   2HB   GLU   3          HB1       GLU   3   3.538   4.752  -1.805
   27   1HG   GLU   3          HG2       GLU   3   2.992   6.870  -0.850
   28   2HG   GLU   3          HG1       GLU   3   4.348   6.258   0.097
   29    H    CYS   4           HN       CYS   4   4.802   3.104  -0.164
   30    HA   CYS   4           HA       CYS   4   6.022   0.822  -1.534
   31   1HB   CYS   4          HB2       CYS   4   4.053   1.090   0.761
   32   2HB   CYS   4          HB1       CYS   4   4.813  -0.425   0.278
   33    H    SER   5           HN       SER   5   5.130   0.122  -3.422
   34    HA   SER   5           HA       SER   5   2.299   0.527  -4.071
   35   1HB   SER   5          HB2       SER   5   4.393   0.586  -5.586
   36   2HB   SER   5          HB1       SER   5   4.322  -1.173  -5.538
   37    HG   SER   5           HG       SER   5   2.722   0.640  -6.842
   38    H    PHE   6           HN       PHE   6   3.939  -1.827  -2.249
   39    HA   PHE   6           HA       PHE   6   2.024  -3.993  -3.012
   40   1HB   PHE   6          HB2       PHE   6   4.815  -3.786  -2.128
   41   2HB   PHE   6          HB1       PHE   6   3.907  -5.009  -1.240
   42    HD1  PHE   6           HD1      PHE   6   2.346  -6.551  -2.745
   43    HD2  PHE   6           HD2      PHE   6   5.764  -4.377  -4.176
   44    HE1  PHE   6           HE1      PHE   6   2.512  -8.087  -4.685
   45    HE2  PHE   6           HE2      PHE   6   5.928  -5.913  -6.116
   46    HZ   PHE   6           HZ       PHE   6   4.303  -7.768  -6.370
   47    H    SER   7           HN       SER   7   3.401  -2.365  -0.115
   48    HA   SER   7           HA       SER   7   1.280  -3.574   1.578
   49   1HB   SER   7          HB2       SER   7   3.666  -1.807   2.206
   50   2HB   SER   7          HB1       SER   7   2.651  -2.610   3.399
   51    HG   SER   7           HG       SER   7   4.509  -3.837   2.938
   52    H    CYS   8           HN       CYS   8  -0.428  -2.418   2.395
   53    HA   CYS   8           HA       CYS   8  -0.767   0.408   1.507
   54   1HB   CYS   8          HB2       CYS   8  -2.525  -1.214   0.985
   55   2HB   CYS   8          HB1       CYS   8  -2.633  -1.684   2.681
   56    H    GLU   9           HN       GLU   9  -0.927  -1.611   4.456
   57    HA   GLU   9           HA       GLU   9  -1.105   0.810   6.176
   58   1HB   GLU   9          HB2       GLU   9  -2.458  -1.409   6.340
   59   2HB   GLU   9          HB1       GLU   9  -0.987  -2.080   7.043
   60   1HG   GLU   9          HG2       GLU   9  -2.013  -1.337   8.972
   61   2HG   GLU   9          HG1       GLU   9  -1.133   0.129   8.538
   62    H    ILE  10           HN       ILE  10   1.150  -1.780   5.311
   63    HA   ILE  10           HA       ILE  10   3.093  -0.939   7.391
   64    HB   ILE  10           HB       ILE  10   3.295  -3.075   5.237
   65   1HG1  ILE  10          HG12      ILE  10   2.766  -4.384   7.600
   66   2HG1  ILE  10          HG11      ILE  10   1.739  -2.957   7.746
   67   1HG2  ILE  10          HG21      ILE  10   4.798  -2.464   7.786
   68   2HG2  ILE  10          HG22      ILE  10   5.445  -2.709   6.165
   69   3HG2  ILE  10          HG23      ILE  10   4.809  -4.078   7.074
   70   1HD1  ILE  10          HD11      ILE  10   0.842  -5.113   6.513
   71   2HD1  ILE  10          HD12      ILE  10   1.765  -4.468   5.156
   72   3HD1  ILE  10          HD13      ILE  10   0.471  -3.511   5.876
   73    H    GLU  11           HN       GLU  11   5.329  -0.396   6.743
   74    HA   GLU  11           HA       GLU  11   5.417   1.060   4.122
   75   1HB   GLU  11          HB2       GLU  11   6.640   1.441   6.851
   76   2HB   GLU  11          HB1       GLU  11   7.359   2.220   5.441
   77   1HG   GLU  11          HG2       GLU  11   5.171   3.250   4.907
   78   2HG   GLU  11          HG1       GLU  11   4.477   2.502   6.344
   79    H    LYS  12           HN       LYS  12   5.956  -1.812   4.311
   80    HA   LYS  12           HA       LYS  12   8.870  -1.820   3.593
   81   1HB   LYS  12          HB2       LYS  12   7.727  -2.987   5.795
   82   2HB   LYS  12          HB1       LYS  12   7.649  -4.310   4.630
   83   1HG   LYS  12          HG2       LYS  12   9.767  -4.561   5.664
   84   2HG   LYS  12          HG1       LYS  12  10.119  -3.775   4.125
   85   1HD   LYS  12          HD2       LYS  12  10.697  -1.787   5.112
   86   2HD   LYS  12          HD1       LYS  12   9.529  -1.978   6.421
   87   1HE   LYS  12          HE2       LYS  12  10.989  -3.217   7.729
   88   2HE   LYS  12          HE1       LYS  12  11.853  -3.874   6.326
   89   1HZ   LYS  12          HZ1       LYS  12  12.828  -1.751   5.900
   90   2HZ   LYS  12          HZ2       LYS  12  13.109  -2.122   7.533
   91   3HZ   LYS  12          HZ3       LYS  12  11.899  -1.007   7.111
   92    H    GLU  13           HN       GLU  13   8.818  -2.013   1.373
   93    HA   GLU  13           HA       GLU  13   6.709  -3.490  -0.030
   94   1HB   GLU  13          HB2       GLU  13   8.076  -1.360  -0.687
   95   2HB   GLU  13          HB1       GLU  13   9.309  -2.509  -1.200
   96   1HG   GLU  13          HG2       GLU  13   7.712  -3.600  -2.701
   97   2HG   GLU  13          HG1       GLU  13   6.428  -2.521  -2.148
   98    H    GLY  14           HN       GLY  14  10.134  -4.019   0.796
   99   1HA   GLY  14          HA2       GLY  14  10.626  -6.496   1.233
  100   2HA   GLY  14          HA1       GLY  14   9.936  -6.770  -0.369
  101    H    ASP  15           HN       ASP  15  10.993  -4.975  -1.997
  102    HA   ASP  15           HA       ASP  15  13.851  -5.674  -2.084
  103   1HB   ASP  15          HB2       ASP  15  12.063  -5.541  -3.987
  104   2HB   ASP  15          HB1       ASP  15  12.382  -3.806  -3.945
  105    H    LYS  16           HN       LYS  16  11.880  -2.712  -1.731
  106    HA   LYS  16           HA       LYS  16  14.257  -1.335  -0.556
  107   1HB   LYS  16          HB2       LYS  16  12.786  -0.760  -3.063
  108   2HB   LYS  16          HB1       LYS  16  13.081   0.644  -2.038
  109   1HG   LYS  16          HG2       LYS  16  15.212   0.708  -2.751
  110   2HG   LYS  16          HG1       LYS  16  15.477  -0.898  -2.073
  111   1HD   LYS  16          HD2       LYS  16  15.899  -1.438  -4.255
  112   2HD   LYS  16          HD1       LYS  16  14.142  -1.571  -4.331
  113   1HE   LYS  16          HE2       LYS  16  13.911   0.378  -5.543
  114   2HE   LYS  16          HE1       LYS  16  15.304   1.150  -4.760
  115   1HZ   LYS  16          HZ1       LYS  16  16.780  -0.328  -5.950
  116   2HZ   LYS  16          HZ2       LYS  16  15.794   0.497  -7.061
  117   3HZ   LYS  16          HZ3       LYS  16  15.466  -1.124  -6.671
  118    HA   PRO  17           HA       PRO  17  11.146  -0.103   2.346
  119   1HB   PRO  17          HB2       PRO  17  12.500   1.945   3.557
  120   2HB   PRO  17          HB1       PRO  17  12.866   0.233   3.854
  121   1HG   PRO  17          HG2       PRO  17  14.272   2.193   2.111
  122   2HG   PRO  17          HG1       PRO  17  14.937   0.915   3.139
  123   1HD   PRO  17          HD2       PRO  17  14.678   0.692   0.433
  124   2HD   PRO  17          HD1       PRO  17  14.656  -0.697   1.541
  125    H    CYS  18           HN       CYS  18   9.428   1.342   2.241
  126    HA   CYS  18           HA       CYS  18   9.819   3.978   0.911
  127   1HB   CYS  18          HB2       CYS  18   7.648   3.292  -0.413
  128   2HB   CYS  18          HB1       CYS  18   9.219   2.724  -0.971
  129    H    LYS  19           HN       LYS  19   7.604   5.203   0.979
  130    HA   LYS  19           HA       LYS  19   6.646   5.174   3.752
  131   1HB   LYS  19          HB2       LYS  19   6.052   6.784   1.254
  132   2HB   LYS  19          HB1       LYS  19   5.240   7.092   2.789
  133   1HG   LYS  19          HG2       LYS  19   7.273   7.687   3.869
  134   2HG   LYS  19          HG1       LYS  19   8.254   7.004   2.571
  135   1HD   LYS  19          HD2       LYS  19   7.328   8.734   1.020
  136   2HD   LYS  19          HD1       LYS  19   6.477   9.455   2.385
  137   1HE   LYS  19          HE2       LYS  19   8.390  10.725   2.549
  138   2HE   LYS  19          HE1       LYS  19   9.012   9.301   3.403
  139   1HZ   LYS  19          HZ1       LYS  19   9.275   8.621   0.786
  140   2HZ   LYS  19          HZ2       LYS  19  10.523   9.212   1.773
  141   3HZ   LYS  19          HZ3       LYS  19   9.657  10.274   0.769
  142    H    LYS  20           HN       LYS  20   4.154   5.271   4.089
  143    HA   LYS  20           HA       LYS  20   2.983   2.864   2.899
  144   1HB   LYS  20          HB2       LYS  20   1.218   3.267   4.515
  145   2HB   LYS  20          HB1       LYS  20   2.760   3.608   5.296
  146   1HG   LYS  20          HG2       LYS  20   1.796   5.576   5.887
  147   2HG   LYS  20          HG1       LYS  20   2.128   6.060   4.224
  148   1HD   LYS  20          HD2       LYS  20  -0.073   6.147   3.751
  149   2HD   LYS  20          HD1       LYS  20  -0.303   4.497   4.328
  150   1HE   LYS  20          HE2       LYS  20   0.024   6.700   6.350
  151   2HE   LYS  20          HE1       LYS  20  -1.546   6.476   5.555
  152   1HZ   LYS  20          HZ1       LYS  20  -1.477   4.131   6.143
  153   2HZ   LYS  20          HZ2       LYS  20  -1.368   5.092   7.540
  154   3HZ   LYS  20          HZ3       LYS  20   0.021   4.342   6.913
  155    H    LYS  21           HN       LYS  21   1.406   2.783   1.310
  156    HA   LYS  21           HA       LYS  21   0.882   5.272  -0.193
  157   1HB   LYS  21          HB2       LYS  21   0.053   3.727  -1.886
  158   2HB   LYS  21          HB1       LYS  21   1.564   3.095  -1.238
  159   1HG   LYS  21          HG2       LYS  21   0.544   1.214  -0.539
  160   2HG   LYS  21          HG1       LYS  21  -0.667   2.143   0.342
  161   1HD   LYS  21          HD2       LYS  21  -1.958   0.981  -1.240
  162   2HD   LYS  21          HD1       LYS  21  -1.722   2.551  -2.008
  163   1HE   LYS  21          HE2       LYS  21  -0.837   1.450  -3.785
  164   2HE   LYS  21          HE1       LYS  21   0.530   1.003  -2.746
  165   1HZ   LYS  21          HZ1       LYS  21  -2.048  -0.466  -2.961
  166   2HZ   LYS  21          HZ2       LYS  21  -0.768  -0.875  -1.921
  167   3HZ   LYS  21          HZ3       LYS  21  -0.564  -0.974  -3.604
  168    H    LYS  22           HN       LYS  22  -1.383   5.740  -0.917
  169    HA   LYS  22           HA       LYS  22  -3.388   5.047   1.209
  170   1HB   LYS  22          HB2       LYS  22  -4.221   7.323   0.944
  171   2HB   LYS  22          HB1       LYS  22  -2.481   7.388   1.211
  172   1HG   LYS  22          HG2       LYS  22  -2.220   8.493  -0.732
  173   2HG   LYS  22          HG1       LYS  22  -2.924   7.132  -1.603
  174   1HD   LYS  22          HD2       LYS  22  -5.112   8.402  -0.397
  175   2HD   LYS  22          HD1       LYS  22  -4.098   9.720  -0.986
  176   1HE   LYS  22          HE2       LYS  22  -4.207   8.962  -3.230
  177   2HE   LYS  22          HE1       LYS  22  -4.755   7.345  -2.746
  178   1HZ   LYS  22          HZ1       LYS  22  -6.266   9.870  -2.308
  179   2HZ   LYS  22          HZ2       LYS  22  -6.784   8.309  -1.882
  180   3HZ   LYS  22          HZ3       LYS  22  -6.605   8.730  -3.517
  181    H    CYS  23           HN       CYS  23  -5.656   5.038   0.446
  182    HA   CYS  23           HA       CYS  23  -5.870   4.251  -2.443
  183   1HB   CYS  23          HB2       CYS  23  -6.645   3.046   0.070
  184   2HB   CYS  23          HB1       CYS  23  -8.074   3.308  -0.931
  185    H    LYS  24           HN       LYS  24  -8.259   4.569  -3.231
  186    HA   LYS  24           HA       LYS  24  -8.927   7.393  -2.943
  187   1HB   LYS  24          HB2       LYS  24  -9.278   5.329  -4.800
  188   2HB   LYS  24          HB1       LYS  24 -10.912   5.687  -4.238
  189   1HG   LYS  24          HG2       LYS  24 -10.462   8.119  -4.664
  190   2HG   LYS  24          HG1       LYS  24  -8.914   7.662  -5.375
  191   1HD   LYS  24          HD2       LYS  24 -10.309   7.768  -7.256
  192   2HD   LYS  24          HD1       LYS  24 -10.353   6.052  -6.851
  193   1HE   LYS  24          HE2       LYS  24 -12.378   7.498  -5.345
  194   2HE   LYS  24          HE1       LYS  24 -12.579   7.756  -7.089
  195   1HZ   LYS  24          HZ1       LYS  24 -13.575   5.638  -6.056
  196   2HZ   LYS  24          HZ2       LYS  24 -11.976   5.067  -6.023
  197   3HZ   LYS  24          HZ3       LYS  24 -12.699   5.492  -7.500
  198    H    GLY  25           HN       GLY  25 -11.434   7.867  -2.684
  199   1HA   GLY  25          HA2       GLY  25 -12.169   7.199   0.016
  200   2HA   GLY  25          HA1       GLY  25 -13.191   8.051  -1.139
  201    H    GLY  26           HN       GLY  26 -13.212   5.961  -3.154
  202   1HA   GLY  26          HA2       GLY  26 -15.178   4.163  -1.869
  203   2HA   GLY  26          HA1       GLY  26 -14.916   4.336  -3.603
  204    H    TRP  27           HN       TRP  27 -12.223   3.833  -1.382
  205    HA   TRP  27           HA       TRP  27 -11.904   1.067  -2.502
  206   1HB   TRP  27          HB2       TRP  27 -10.061   3.390  -2.084
  207   2HB   TRP  27          HB1       TRP  27  -9.393   1.769  -1.900
  208    HD1  TRP  27           HD1      TRP  27 -11.455   3.787  -4.480
  209    HE1  TRP  27           HE1      TRP  27 -10.824   2.951  -6.835
  210    HE3  TRP  27           HE3      TRP  27  -8.258   0.007  -3.242
  211    HZ2  TRP  27           HZ2      TRP  27  -9.178   0.940  -8.035
  212    HZ3  TRP  27           HZ3      TRP  27  -7.175  -1.353  -5.007
  213    HH2  TRP  27           HH2      TRP  27  -7.630  -0.893  -7.399
  214    H    LYS  28           HN       LYS  28 -10.433  -0.285  -1.001
  215    HA   LYS  28           HA       LYS  28 -10.879   0.379   1.885
  216   1HB   LYS  28          HB2       LYS  28 -12.640  -1.140   0.976
  217   2HB   LYS  28          HB1       LYS  28 -11.380  -2.280   0.505
  218   1HG   LYS  28          HG2       LYS  28 -12.141  -3.077   2.604
  219   2HG   LYS  28          HG1       LYS  28 -10.647  -2.219   2.976
  220   1HD   LYS  28          HD2       LYS  28 -13.012  -0.479   2.992
  221   2HD   LYS  28          HD1       LYS  28 -13.089  -1.768   4.193
  222   1HE   LYS  28          HE2       LYS  28 -10.614  -1.057   4.734
  223   2HE   LYS  28          HE1       LYS  28 -11.082   0.463   3.948
  224   1HZ   LYS  28          HZ1       LYS  28 -11.589   0.437   6.351
  225   2HZ   LYS  28          HZ2       LYS  28 -12.644  -0.871   6.099
  226   3HZ   LYS  28          HZ3       LYS  28 -12.973   0.640   5.394
  227    H    CYS  29           HN       CYS  29  -8.956   0.225   2.965
  228    HA   CYS  29           HA       CYS  29  -6.641  -1.091   1.681
  229   1HB   CYS  29          HB2       CYS  29  -6.426   1.125   2.698
  230   2HB   CYS  29          HB1       CYS  29  -7.024   0.505   4.237
  231    H    LYS  30           HN       LYS  30  -6.415  -3.264   2.015
  232    HA   LYS  30           HA       LYS  30  -7.630  -4.626   4.313
  233   1HB   LYS  30          HB2       LYS  30  -5.856  -5.478   2.001
  234   2HB   LYS  30          HB1       LYS  30  -6.534  -6.609   3.172
  235   1HG   LYS  30          HG2       LYS  30  -8.423  -4.699   1.877
  236   2HG   LYS  30          HG1       LYS  30  -7.800  -6.017   0.884
  237   1HD   LYS  30          HD2       LYS  30  -8.575  -7.664   2.505
  238   2HD   LYS  30          HD1       LYS  30  -9.094  -6.385   3.602
  239   1HE   LYS  30          HE2       LYS  30 -10.183  -6.384   0.802
  240   2HE   LYS  30          HE1       LYS  30 -10.860  -7.521   1.985
  241   1HZ   LYS  30          HZ1       LYS  30 -10.539  -4.590   2.380
  242   2HZ   LYS  30          HZ2       LYS  30 -11.151  -5.678   3.533
  243   3HZ   LYS  30          HZ3       LYS  30 -12.006  -5.391   2.094
  244    H    PHE  31           HN       PHE  31  -5.511  -6.573   4.730
  245    HA   PHE  31           HA       PHE  31  -3.975  -5.206   6.773
  246   1HB   PHE  31          HB2       PHE  31  -3.725  -7.967   5.527
  247   2HB   PHE  31          HB1       PHE  31  -2.968  -7.465   7.037
  248    HD1  PHE  31           HD1      PHE  31  -4.996  -5.929   8.415
  249    HD2  PHE  31           HD2      PHE  31  -5.450  -9.466   6.019
  250    HE1  PHE  31           HE1      PHE  31  -7.079  -6.490   9.636
  251    HE2  PHE  31           HE2      PHE  31  -7.533 -10.026   7.241
  252    HZ   PHE  31           HZ       PHE  31  -8.348  -8.538   9.049
  253    H    ASN  32           HN       ASN  32  -3.085  -6.635   3.596
  254    HA   ASN  32           HA       ASN  32  -0.658  -4.877   3.600
  255   1HB   ASN  32          HB2       ASN  32  -0.634  -7.563   4.147
  256   2HB   ASN  32          HB1       ASN  32  -0.384  -7.568   2.402
  257   1HD2  ASN  32          HD21      ASN  32   1.341  -5.761   1.700
  258   2HD2  ASN  32          HD22      ASN  32   2.731  -5.687   2.671
  259    H    MET  33           HN       MET  33  -3.353  -4.818   2.138
  260    HA   MET  33           HA       MET  33  -2.246  -4.297  -0.539
  261   1HB   MET  33          HB2       MET  33  -3.707  -5.951  -1.641
  262   2HB   MET  33          HB1       MET  33  -2.633  -6.747  -0.494
  263   1HG   MET  33          HG2       MET  33  -4.532  -6.553   1.209
  264   2HG   MET  33          HG1       MET  33  -5.569  -6.106  -0.145
  265   1HE   MET  33          HE1       MET  33  -6.265  -8.869  -2.176
  266   2HE   MET  33          HE2       MET  33  -4.674  -8.297  -2.672
  267   3HE   MET  33          HE3       MET  33  -5.869  -7.149  -2.073
  268    H    CYS  34           HN       CYS  34  -3.801  -3.167  -1.916
  269    HA   CYS  34           HA       CYS  34  -6.067  -1.937  -0.371
  270   1HB   CYS  34          HB2       CYS  34  -3.859  -0.853  -1.731
  271   2HB   CYS  34          HB1       CYS  34  -5.227  -0.575  -2.808
  272    H    VAL  35           HN       VAL  35  -8.026  -2.736  -1.021
  273    HA   VAL  35           HA       VAL  35  -8.364  -3.520  -3.902
  274    HB   VAL  35           HB       VAL  35  -9.485  -4.649  -1.318
  275   1HG1  VAL  35          HG11      VAL  35 -10.477  -6.370  -3.016
  276   2HG1  VAL  35          HG12      VAL  35 -10.305  -5.063  -4.187
  277   3HG1  VAL  35          HG13      VAL  35 -11.324  -4.844  -2.764
  278   1HG2  VAL  35          HG21      VAL  35  -7.153  -5.295  -2.085
  279   2HG2  VAL  35          HG22      VAL  35  -7.896  -5.989  -3.526
  280   3HG2  VAL  35          HG23      VAL  35  -8.278  -6.645  -1.934
  281    H    LYS  36           HN       LYS  36 -10.167  -2.668  -4.963
  282    HA   LYS  36           HA       LYS  36 -11.522  -0.375  -3.812
  283   1HB   LYS  36          HB2       LYS  36 -10.906  -1.008  -6.272
  284   2HB   LYS  36          HB1       LYS  36 -12.416  -1.918  -6.247
  285   1HG   LYS  36          HG2       LYS  36 -12.563   0.859  -5.204
  286   2HG   LYS  36          HG1       LYS  36 -12.277   0.701  -6.937
  287   1HD   LYS  36          HD2       LYS  36 -14.279  -0.543  -7.264
  288   2HD   LYS  36          HD1       LYS  36 -14.470  -0.834  -5.534
  289   1HE   LYS  36          HE2       LYS  36 -14.814   1.619  -5.187
  290   2HE   LYS  36          HE1       LYS  36 -14.735   1.846  -6.944
  291   1HZ   LYS  36          HZ1       LYS  36 -16.564   0.355  -7.239
  292   2HZ   LYS  36          HZ2       LYS  36 -17.029   1.522  -6.095
  293   3HZ   LYS  36          HZ3       LYS  36 -16.590  -0.039  -5.589
  294    H    VAL  37           HN       VAL  37 -13.308  -0.435  -2.512
  295    HA   VAL  37           HA       VAL  37 -14.913  -2.959  -2.396
  296    HB   VAL  37           HB       VAL  37 -13.692  -1.972  -0.380
  297   1HG1  VAL  37          HG11      VAL  37 -14.638  -0.050   0.723
  298   2HG1  VAL  37          HG12      VAL  37 -15.966   0.030  -0.435
  299   3HG1  VAL  37          HG13      VAL  37 -14.323   0.412  -0.950
  300   1HG2  VAL  37          HG21      VAL  37 -16.336  -3.076  -0.618
  301   2HG2  VAL  37          HG22      VAL  37 -16.311  -1.936   0.727
  302   3HG2  VAL  37          HG23      VAL  37 -15.173  -3.282   0.691
  Start of MODEL    5
    1   1H    LEU   1          HT1       LEU   1 -12.527   9.591  -4.444
    2   2H    LEU   1          HT2       LEU   1 -11.152  10.562  -4.211
    3   3H    LEU   1          HT3       LEU   1 -12.103  10.096  -2.882
    4    HA   LEU   1           HA       LEU   1 -11.489   7.764  -3.239
    5   1HB   LEU   1          HB2       LEU   1 -10.153   9.126  -5.576
    6   2HB   LEU   1          HB1       LEU   1  -9.532   7.588  -4.975
    7    HG   LEU   1           HG       LEU   1 -12.345   7.296  -5.141
    8   1HD1  LEU   1          HD11      LEU   1 -11.301   8.178  -7.822
    9   2HD1  LEU   1          HD12      LEU   1 -11.991   9.361  -6.710
   10   3HD1  LEU   1          HD13      LEU   1 -12.972   8.012  -7.282
   11   1HD2  LEU   1          HD21      LEU   1 -11.620   5.754  -7.086
   12   2HD2  LEU   1          HD22      LEU   1 -10.924   5.430  -5.498
   13   3HD2  LEU   1          HD23      LEU   1  -9.977   6.280  -6.720
   14    H    PHE   2           HN       PHE   2 -10.254   7.444  -1.433
   15    HA   PHE   2           HA       PHE   2  -8.163   9.414  -0.686
   16   1HB   PHE   2          HB2       PHE   2  -9.980   7.529   0.593
   17   2HB   PHE   2          HB1       PHE   2  -8.340   7.342   1.211
   18    HD1  PHE   2           HD1      PHE   2 -10.443  10.254   0.091
   19    HD2  PHE   2           HD2      PHE   2  -7.975   8.547   3.166
   20    HE1  PHE   2           HE1      PHE   2 -10.721  12.307   1.454
   21    HE2  PHE   2           HE2      PHE   2  -8.253  10.601   4.527
   22    HZ   PHE   2           HZ       PHE   2  -9.626  12.480   3.672
   23    H    GLU   3           HN       GLU   3  -6.352   7.876   0.697
   24    HA   GLU   3           HA       GLU   3  -4.969   6.397  -1.487
   25   1HB   GLU   3          HB2       GLU   3  -4.261   8.154   0.671
   26   2HB   GLU   3          HB1       GLU   3  -3.434   6.616   0.914
   27   1HG   GLU   3          HG2       GLU   3  -1.918   7.632  -0.499
   28   2HG   GLU   3          HG1       GLU   3  -2.962   6.876  -1.702
   29    H    CYS   4           HN       CYS   4  -4.032   4.273  -1.031
   30    HA   CYS   4           HA       CYS   4  -5.776   2.580   0.619
   31   1HB   CYS   4          HB2       CYS   4  -3.320   2.052  -1.088
   32   2HB   CYS   4          HB1       CYS   4  -4.304   0.789  -0.351
   33    H    SER   5           HN       SER   5  -5.327   1.955   2.688
   34    HA   SER   5           HA       SER   5  -2.618   2.574   3.807
   35   1HB   SER   5          HB2       SER   5  -5.432   2.448   4.863
   36   2HB   SER   5          HB1       SER   5  -4.076   2.296   5.976
   37    HG   SER   5           HG       SER   5  -4.982   4.475   4.534
   38    H    PHE   6           HN       PHE   6  -3.408   0.081   2.277
   39    HA   PHE   6           HA       PHE   6  -2.491  -1.890   4.311
   40   1HB   PHE   6          HB2       PHE   6  -5.092  -1.666   4.000
   41   2HB   PHE   6          HB1       PHE   6  -4.806  -2.537   2.494
   42    HD1  PHE   6           HD1      PHE   6  -3.470  -4.747   2.626
   43    HD2  PHE   6           HD2      PHE   6  -5.226  -2.824   6.043
   44    HE1  PHE   6           HE1      PHE   6  -3.357  -6.880   3.885
   45    HE2  PHE   6           HE2      PHE   6  -5.111  -4.956   7.302
   46    HZ   PHE   6           HZ       PHE   6  -4.178  -6.985   6.223
   47    H    SER   7           HN       SER   7  -3.432  -1.384   0.887
   48    HA   SER   7           HA       SER   7  -1.384  -3.397   0.061
   49   1HB   SER   7          HB2       SER   7  -2.645  -3.240  -2.111
   50   2HB   SER   7          HB1       SER   7  -3.645  -3.741  -0.753
   51    HG   SER   7           HG       SER   7  -4.023  -1.700  -2.360
   52    H    CYS   8           HN       CYS   8   0.532  -2.644  -0.707
   53    HA   CYS   8           HA       CYS   8   0.756   0.218  -1.529
   54   1HB   CYS   8          HB2       CYS   8   3.194  -0.232  -1.211
   55   2HB   CYS   8          HB1       CYS   8   2.252  -0.599   0.233
   56    H    GLU   9           HN       GLU   9   1.079  -3.079  -2.749
   57    HA   GLU   9           HA       GLU   9   2.301  -2.221  -5.295
   58   1HB   GLU   9          HB2       GLU   9   2.464  -4.459  -3.810
   59   2HB   GLU   9          HB1       GLU   9   1.121  -4.932  -4.852
   60   1HG   GLU   9          HG2       GLU   9   2.421  -4.981  -6.743
   61   2HG   GLU   9          HG1       GLU   9   3.466  -3.672  -6.187
   62    H    ILE  10           HN       ILE  10  -0.836  -3.461  -4.131
   63    HA   ILE  10           HA       ILE  10  -2.049  -3.064  -6.819
   64    HB   ILE  10           HB       ILE  10  -3.197  -4.169  -4.232
   65   1HG1  ILE  10          HG12      ILE  10  -1.275  -5.522  -4.867
   66   2HG1  ILE  10          HG11      ILE  10  -2.740  -6.406  -5.288
   67   1HG2  ILE  10          HG21      ILE  10  -4.934  -3.552  -5.797
   68   2HG2  ILE  10          HG22      ILE  10  -4.769  -5.307  -5.840
   69   3HG2  ILE  10          HG23      ILE  10  -4.075  -4.325  -7.130
   70   1HD1  ILE  10          HD11      ILE  10  -0.960  -4.827  -7.165
   71   2HD1  ILE  10          HD12      ILE  10  -2.531  -5.481  -7.627
   72   3HD1  ILE  10          HD13      ILE  10  -1.225  -6.570  -7.162
   73    H    GLU  11           HN       GLU  11  -3.813  -1.606  -7.124
   74    HA   GLU  11           HA       GLU  11  -3.915   0.647  -5.195
   75   1HB   GLU  11          HB2       GLU  11  -3.943   0.339  -7.977
   76   2HB   GLU  11          HB1       GLU  11  -5.595   0.807  -7.579
   77   1HG   GLU  11          HG2       GLU  11  -4.217   2.536  -6.001
   78   2HG   GLU  11          HG1       GLU  11  -3.080   2.360  -7.337
   79    H    LYS  12           HN       LYS  12  -5.229  -1.960  -4.508
   80    HA   LYS  12           HA       LYS  12  -7.989  -0.904  -4.077
   81   1HB   LYS  12          HB2       LYS  12  -7.103  -3.486  -5.363
   82   2HB   LYS  12          HB1       LYS  12  -8.673  -3.375  -4.571
   83   1HG   LYS  12          HG2       LYS  12  -9.096  -1.298  -6.001
   84   2HG   LYS  12          HG1       LYS  12  -7.671  -1.766  -6.928
   85   1HD   LYS  12          HD2       LYS  12  -9.701  -3.890  -6.438
   86   2HD   LYS  12          HD1       LYS  12 -10.148  -2.611  -7.567
   87   1HE   LYS  12          HE2       LYS  12  -9.060  -3.990  -9.067
   88   2HE   LYS  12          HE1       LYS  12  -7.630  -3.142  -8.450
   89   1HZ   LYS  12          HZ1       LYS  12  -7.392  -4.837  -6.746
   90   2HZ   LYS  12          HZ2       LYS  12  -7.367  -5.552  -8.285
   91   3HZ   LYS  12          HZ3       LYS  12  -8.763  -5.652  -7.323
   92    H    GLU  13           HN       GLU  13  -8.373  -0.983  -1.906
   93    HA   GLU  13           HA       GLU  13  -6.667  -2.578  -0.123
   94   1HB   GLU  13          HB2       GLU  13  -7.504  -0.225   0.271
   95   2HB   GLU  13          HB1       GLU  13  -9.120  -0.899   0.479
   96   1HG   GLU  13          HG2       GLU  13  -8.548  -2.013   2.455
   97   2HG   GLU  13          HG1       GLU  13  -6.825  -2.007   2.074
   98    H    GLY  14           HN       GLY  14  -9.933  -2.795  -1.454
   99   1HA   GLY  14          HA2       GLY  14 -10.840  -5.147  -1.550
  100   2HA   GLY  14          HA1       GLY  14 -10.350  -5.297   0.137
  101    H    ASP  15           HN       ASP  15 -11.200  -2.884   1.194
  102    HA   ASP  15           HA       ASP  15 -14.141  -3.259   1.189
  103   1HB   ASP  15          HB2       ASP  15 -12.211  -1.595   2.845
  104   2HB   ASP  15          HB1       ASP  15 -13.945  -1.698   3.152
  105    H    LYS  16           HN       LYS  16 -11.757  -0.648   0.612
  106    HA   LYS  16           HA       LYS  16 -13.830   0.789  -1.003
  107   1HB   LYS  16          HB2       LYS  16 -12.253   1.647   1.388
  108   2HB   LYS  16          HB1       LYS  16 -12.527   2.848   0.126
  109   1HG   LYS  16          HG2       LYS  16 -14.810   1.187   1.177
  110   2HG   LYS  16          HG1       LYS  16 -14.290   2.638   2.031
  111   1HD   LYS  16          HD2       LYS  16 -14.599   2.996  -0.880
  112   2HD   LYS  16          HD1       LYS  16 -16.099   2.617  -0.035
  113   1HE   LYS  16          HE2       LYS  16 -16.096   4.915   0.274
  114   2HE   LYS  16          HE1       LYS  16 -15.100   4.467   1.672
  115   1HZ   LYS  16          HZ1       LYS  16 -14.032   5.046  -1.043
  116   2HZ   LYS  16          HZ2       LYS  16 -13.123   4.722   0.356
  117   3HZ   LYS  16          HZ3       LYS  16 -14.030   6.153   0.243
  118    HA   PRO  17           HA       PRO  17 -10.446   0.913  -3.863
  119   1HB   PRO  17          HB2       PRO  17 -11.461   2.770  -5.597
  120   2HB   PRO  17          HB1       PRO  17 -12.034   1.092  -5.533
  121   1HG   PRO  17          HG2       PRO  17 -13.248   3.550  -4.374
  122   2HG   PRO  17          HG1       PRO  17 -14.028   2.164  -5.152
  123   1HD   PRO  17          HD2       PRO  17 -13.939   2.518  -2.451
  124   2HD   PRO  17          HD1       PRO  17 -14.035   0.922  -3.229
  125    H    CYS  18           HN       CYS  18  -8.543   2.050  -3.709
  126    HA   CYS  18           HA       CYS  18  -8.620   4.991  -3.236
  127   1HB   CYS  18          HB2       CYS  18  -6.814   4.496  -1.429
  128   2HB   CYS  18          HB1       CYS  18  -8.498   4.193  -1.016
  129    H    LYS  19           HN       LYS  19  -6.284   5.881  -3.391
  130    HA   LYS  19           HA       LYS  19  -5.040   4.839  -5.832
  131   1HB   LYS  19          HB2       LYS  19  -4.453   7.099  -3.899
  132   2HB   LYS  19          HB1       LYS  19  -3.490   6.806  -5.347
  133   1HG   LYS  19          HG2       LYS  19  -4.992   8.104  -6.433
  134   2HG   LYS  19          HG1       LYS  19  -6.098   6.737  -6.299
  135   1HD   LYS  19          HD2       LYS  19  -7.440   7.983  -4.995
  136   2HD   LYS  19          HD1       LYS  19  -6.151   8.077  -3.797
  137   1HE   LYS  19          HE2       LYS  19  -6.384  10.342  -4.224
  138   2HE   LYS  19          HE1       LYS  19  -5.256   9.950  -5.536
  139   1HZ   LYS  19          HZ1       LYS  19  -8.168   9.598  -5.893
  140   2HZ   LYS  19          HZ2       LYS  19  -6.963   9.787  -7.077
  141   3HZ   LYS  19          HZ3       LYS  19  -7.452  11.115  -6.137
  142    H    LYS  20           HN       LYS  20  -2.606   4.455  -5.870
  143    HA   LYS  20           HA       LYS  20  -1.884   2.525  -3.791
  144   1HB   LYS  20          HB2       LYS  20   0.149   2.266  -5.227
  145   2HB   LYS  20          HB1       LYS  20  -1.349   2.139  -6.144
  146   1HG   LYS  20          HG2       LYS  20  -1.065   4.240  -7.148
  147   2HG   LYS  20          HG1       LYS  20   0.033   4.803  -5.893
  148   1HD   LYS  20          HD2       LYS  20   0.757   2.507  -7.715
  149   2HD   LYS  20          HD1       LYS  20   1.084   4.184  -8.156
  150   1HE   LYS  20          HE2       LYS  20   2.554   4.497  -6.293
  151   2HE   LYS  20          HE1       LYS  20   2.009   2.995  -5.521
  152   1HZ   LYS  20          HZ1       LYS  20   2.859   1.745  -7.398
  153   2HZ   LYS  20          HZ2       LYS  20   4.105   2.674  -6.713
  154   3HZ   LYS  20          HZ3       LYS  20   3.369   3.172  -8.161
  155    H    LYS  21           HN       LYS  21  -0.838   3.026  -1.931
  156    HA   LYS  21           HA       LYS  21   0.253   5.728  -1.506
  157   1HB   LYS  21          HB2       LYS  21  -1.126   4.403   0.141
  158   2HB   LYS  21          HB1       LYS  21   0.225   3.279   0.291
  159   1HG   LYS  21          HG2       LYS  21   1.044   6.077   0.607
  160   2HG   LYS  21          HG1       LYS  21  -0.142   5.573   1.810
  161   1HD   LYS  21          HD2       LYS  21   1.605   3.407   1.663
  162   2HD   LYS  21          HD1       LYS  21   2.666   4.812   1.553
  163   1HE   LYS  21          HE2       LYS  21   2.476   4.536   3.883
  164   2HE   LYS  21          HE1       LYS  21   1.186   5.711   3.559
  165   1HZ   LYS  21          HZ1       LYS  21   0.283   3.891   4.825
  166   2HZ   LYS  21          HZ2       LYS  21   0.890   2.755   3.716
  167   3HZ   LYS  21          HZ3       LYS  21  -0.349   3.823   3.253
  168    H    LYS  22           HN       LYS  22   2.366   6.215  -1.925
  169    HA   LYS  22           HA       LYS  22   4.288   4.178  -2.702
  170   1HB   LYS  22          HB2       LYS  22   3.928   6.789  -3.254
  171   2HB   LYS  22          HB1       LYS  22   5.123   6.945  -1.966
  172   1HG   LYS  22          HG2       LYS  22   6.711   6.489  -3.500
  173   2HG   LYS  22          HG1       LYS  22   6.072   4.847  -3.571
  174   1HD   LYS  22          HD2       LYS  22   4.548   5.455  -5.362
  175   2HD   LYS  22          HD1       LYS  22   5.012   7.152  -5.231
  176   1HE   LYS  22          HE2       LYS  22   6.487   6.618  -6.908
  177   2HE   LYS  22          HE1       LYS  22   7.462   5.948  -5.585
  178   1HZ   LYS  22          HZ1       LYS  22   6.200   3.850  -5.845
  179   2HZ   LYS  22          HZ2       LYS  22   7.122   4.242  -7.217
  180   3HZ   LYS  22          HZ3       LYS  22   5.443   4.501  -7.217
  181    H    CYS  23           HN       CYS  23   5.585   3.026  -1.344
  182    HA   CYS  23           HA       CYS  23   5.585   3.478   1.522
  183   1HB   CYS  23          HB2       CYS  23   6.211   1.434  -0.296
  184   2HB   CYS  23          HB1       CYS  23   7.742   1.812   0.495
  185    H    LYS  24           HN       LYS  24   7.674   3.777   2.756
  186    HA   LYS  24           HA       LYS  24   9.090   6.143   1.802
  187   1HB   LYS  24          HB2       LYS  24   9.069   4.374   4.235
  188   2HB   LYS  24          HB1       LYS  24  10.360   5.559   4.040
  189   1HG   LYS  24          HG2       LYS  24   8.830   7.381   4.011
  190   2HG   LYS  24          HG1       LYS  24   7.447   6.316   3.765
  191   1HD   LYS  24          HD2       LYS  24   7.980   5.288   6.029
  192   2HD   LYS  24          HD1       LYS  24   9.123   6.609   6.268
  193   1HE   LYS  24          HE2       LYS  24   7.261   8.244   5.900
  194   2HE   LYS  24          HE1       LYS  24   6.130   6.880   5.801
  195   1HZ   LYS  24          HZ1       LYS  24   7.314   6.170   7.993
  196   2HZ   LYS  24          HZ2       LYS  24   6.080   7.338   8.041
  197   3HZ   LYS  24          HZ3       LYS  24   7.709   7.817   8.101
  198    H    GLY  25           HN       GLY  25  11.621   6.094   2.114
  199   1HA   GLY  25          HA2       GLY  25  12.735   4.321   0.153
  200   2HA   GLY  25          HA1       GLY  25  13.667   5.368   1.222
  201    H    GLY  26           HN       GLY  26  12.678   4.218   3.711
  202   1HA   GLY  26          HA2       GLY  26  14.353   1.782   3.720
  203   2HA   GLY  26          HA1       GLY  26  13.748   2.623   5.146
  204    H    TRP  27           HN       TRP  27  11.374   2.043   2.703
  205    HA   TRP  27           HA       TRP  27  10.367  -0.344   4.216
  206   1HB   TRP  27          HB2       TRP  27   9.042   2.187   3.244
  207   2HB   TRP  27          HB1       TRP  27   8.089   0.727   3.505
  208    HD1  TRP  27           HD1      TRP  27  10.314   3.223   5.386
  209    HE1  TRP  27           HE1      TRP  27   9.761   3.082   7.899
  210    HE3  TRP  27           HE3      TRP  27   7.095  -0.743   5.361
  211    HZ2  TRP  27           HZ2      TRP  27   8.165   1.499   9.666
  212    HZ3  TRP  27           HZ3      TRP  27   6.076  -1.546   7.473
  213    HH2  TRP  27           HH2      TRP  27   6.606  -0.431   9.622
  214    H    LYS  28           HN       LYS  28   9.945  -2.090   2.902
  215    HA   LYS  28           HA       LYS  28  10.045  -1.669  -0.059
  216   1HB   LYS  28          HB2       LYS  28  11.123  -3.556   1.842
  217   2HB   LYS  28          HB1       LYS  28  10.140  -4.415   0.656
  218   1HG   LYS  28          HG2       LYS  28  11.812  -4.228  -0.837
  219   2HG   LYS  28          HG1       LYS  28  11.656  -2.472  -0.768
  220   1HD   LYS  28          HD2       LYS  28  13.103  -2.530   1.314
  221   2HD   LYS  28          HD1       LYS  28  13.410  -4.231   0.963
  222   1HE   LYS  28          HE2       LYS  28  13.843  -2.210  -1.223
  223   2HE   LYS  28          HE1       LYS  28  15.075  -2.396   0.041
  224   1HZ   LYS  28          HZ1       LYS  28  15.446  -3.948  -1.792
  225   2HZ   LYS  28          HZ2       LYS  28  13.901  -4.614  -1.558
  226   3HZ   LYS  28          HZ3       LYS  28  15.090  -4.775  -0.355
  227    H    CYS  29           HN       CYS  29   8.344  -2.374  -1.366
  228    HA   CYS  29           HA       CYS  29   5.803  -3.064   0.026
  229   1HB   CYS  29          HB2       CYS  29   5.790  -1.169  -1.492
  230   2HB   CYS  29          HB1       CYS  29   6.530  -2.134  -2.769
  231    H    LYS  30           HN       LYS  30   5.358  -5.227   0.171
  232    HA   LYS  30           HA       LYS  30   6.574  -7.134  -1.751
  233   1HB   LYS  30          HB2       LYS  30   6.123  -7.122   0.962
  234   2HB   LYS  30          HB1       LYS  30   4.763  -8.086   0.385
  235   1HG   LYS  30          HG2       LYS  30   6.529  -9.356  -1.027
  236   2HG   LYS  30          HG1       LYS  30   7.714  -8.612   0.045
  237   1HD   LYS  30          HD2       LYS  30   5.387  -9.864   1.390
  238   2HD   LYS  30          HD1       LYS  30   6.488 -10.978   0.581
  239   1HE   LYS  30          HE2       LYS  30   7.766 -10.829   2.462
  240   2HE   LYS  30          HE1       LYS  30   8.205  -9.208   1.894
  241   1HZ   LYS  30          HZ1       LYS  30   7.112  -9.421   4.193
  242   2HZ   LYS  30          HZ2       LYS  30   5.667  -9.671   3.336
  243   3HZ   LYS  30          HZ3       LYS  30   6.534  -8.222   3.142
  244    H    PHE  31           HN       PHE  31   4.395  -9.090  -1.436
  245    HA   PHE  31           HA       PHE  31   2.848  -8.667  -3.736
  246   1HB   PHE  31          HB2       PHE  31   2.288 -10.182  -1.166
  247   2HB   PHE  31          HB1       PHE  31   1.299 -10.352  -2.617
  248    HD1  PHE  31           HD1      PHE  31   4.307 -11.388  -0.936
  249    HD2  PHE  31           HD2      PHE  31   2.472 -11.030  -4.804
  250    HE1  PHE  31           HE1      PHE  31   5.946 -13.000  -1.863
  251    HE2  PHE  31           HE2      PHE  31   4.112 -12.643  -5.730
  252    HZ   PHE  31           HZ       PHE  31   5.850 -13.627  -4.260
  253    H    ASN  32           HN       ASN  32   1.727  -8.144  -0.362
  254    HA   ASN  32           HA       ASN  32   0.112  -5.825  -1.274
  255   1HB   ASN  32          HB2       ASN  32  -1.040  -8.231  -1.362
  256   2HB   ASN  32          HB1       ASN  32  -1.254  -7.929   0.363
  257   1HD2  ASN  32          HD21      ASN  32  -1.990  -6.575  -2.871
  258   2HD2  ASN  32          HD22      ASN  32  -3.299  -5.629  -2.348
  259    H    MET  33           HN       MET  33   2.454  -6.273   0.560
  260    HA   MET  33           HA       MET  33   1.328  -4.891   2.939
  261   1HB   MET  33          HB2       MET  33   1.279  -7.323   3.401
  262   2HB   MET  33          HB1       MET  33   2.997  -7.429   3.014
  263   1HG   MET  33          HG2       MET  33   3.069  -7.235   5.335
  264   2HG   MET  33          HG1       MET  33   3.228  -5.549   4.846
  265   1HE   MET  33          HE1       MET  33   1.356  -7.494   7.606
  266   2HE   MET  33          HE2       MET  33   1.209  -5.823   8.141
  267   3HE   MET  33          HE3       MET  33   2.723  -6.384   7.437
  268    H    CYS  34           HN       CYS  34   2.656  -3.174   3.370
  269    HA   CYS  34           HA       CYS  34   5.378  -3.098   2.180
  270   1HB   CYS  34          HB2       CYS  34   3.249  -1.282   2.623
  271   2HB   CYS  34          HB1       CYS  34   4.568  -0.747   3.664
  272    H    VAL  35           HN       VAL  35   6.989  -3.911   3.476
  273    HA   VAL  35           HA       VAL  35   6.819  -3.408   6.435
  274    HB   VAL  35           HB       VAL  35   8.073  -5.691   4.865
  275   1HG1  VAL  35          HG11      VAL  35   8.121  -4.893   7.746
  276   2HG1  VAL  35          HG12      VAL  35   9.365  -5.690   6.781
  277   3HG1  VAL  35          HG13      VAL  35   7.983  -6.612   7.375
  278   1HG2  VAL  35          HG21      VAL  35   5.714  -5.981   4.790
  279   2HG2  VAL  35          HG22      VAL  35   5.509  -5.398   6.442
  280   3HG2  VAL  35          HG23      VAL  35   6.239  -6.976   6.149
  281    H    LYS  36           HN       LYS  36   8.792  -2.787   7.477
  282    HA   LYS  36           HA       LYS  36  10.644  -1.240   5.863
  283   1HB   LYS  36          HB2       LYS  36   9.783  -1.006   8.337
  284   2HB   LYS  36          HB1       LYS  36  11.122  -2.091   8.710
  285   1HG   LYS  36          HG2       LYS  36  12.631  -0.499   7.432
  286   2HG   LYS  36          HG1       LYS  36  11.273   0.626   7.382
  287   1HD   LYS  36          HD2       LYS  36  11.199   0.176   9.982
  288   2HD   LYS  36          HD1       LYS  36  12.879  -0.301   9.740
  289   1HE   LYS  36          HE2       LYS  36  12.929   2.006   8.357
  290   2HE   LYS  36          HE1       LYS  36  11.630   2.401   9.500
  291   1HZ   LYS  36          HZ1       LYS  36  13.070   1.575  11.303
  292   2HZ   LYS  36          HZ2       LYS  36  13.743   2.917  10.506
  293   3HZ   LYS  36          HZ3       LYS  36  14.328   1.354  10.186
  294    H    VAL  37           HN       VAL  37  12.668  -1.831   5.118
  295    HA   VAL  37           HA       VAL  37  13.421  -4.636   5.067
  296    HB   VAL  37           HB       VAL  37  13.799  -2.818   3.312
  297   1HG1  VAL  37          HG11      VAL  37  16.152  -2.135   5.098
  298   2HG1  VAL  37          HG12      VAL  37  14.705  -1.137   4.938
  299   3HG1  VAL  37          HG13      VAL  37  15.755  -1.398   3.546
  300   1HG2  VAL  37          HG21      VAL  37  14.891  -4.981   3.101
  301   2HG2  VAL  37          HG22      VAL  37  16.141  -4.503   4.251
  302   3HG2  VAL  37          HG23      VAL  37  16.049  -3.722   2.672
  Start of MODEL    6
    1   1H    LEU   1          HT1       LEU   1 -13.250   6.880  -5.109
    2   2H    LEU   1          HT2       LEU   1 -13.683   5.959  -6.469
    3   3H    LEU   1          HT3       LEU   1 -12.572   7.236  -6.623
    4    HA   LEU   1           HA       LEU   1 -12.136   4.698  -5.125
    5   1HB   LEU   1          HB2       LEU   1 -12.189   4.751  -7.683
    6   2HB   LEU   1          HB1       LEU   1 -10.783   5.812  -7.599
    7    HG   LEU   1           HG       LEU   1  -9.792   3.944  -6.050
    8   1HD1  LEU   1          HD11      LEU   1 -12.089   2.569  -7.447
    9   2HD1  LEU   1          HD12      LEU   1 -11.652   2.511  -5.739
   10   3HD1  LEU   1          HD13      LEU   1 -10.659   1.674  -6.933
   11   1HD2  LEU   1          HD21      LEU   1 -10.102   3.887  -9.048
   12   2HD2  LEU   1          HD22      LEU   1  -9.167   2.638  -8.225
   13   3HD2  LEU   1          HD23      LEU   1  -8.688   4.330  -8.091
   14    H    PHE   2           HN       PHE   2 -10.951   5.229  -3.325
   15    HA   PHE   2           HA       PHE   2  -9.069   7.545  -3.433
   16   1HB   PHE   2          HB2       PHE   2 -10.727   6.151  -1.440
   17   2HB   PHE   2          HB1       PHE   2  -9.108   6.532  -0.856
   18    HD1  PHE   2           HD1      PHE   2  -9.199   8.454   0.463
   19    HD2  PHE   2           HD2      PHE   2 -11.439   8.315  -3.200
   20    HE1  PHE   2           HE1      PHE   2  -9.873  10.817   0.784
   21    HE2  PHE   2           HE2      PHE   2 -12.113  10.679  -2.879
   22    HZ   PHE   2           HZ       PHE   2 -11.330  11.930  -0.886
   23    H    GLU   3           HN       GLU   3  -6.840   7.232  -3.187
   24    HA   GLU   3           HA       GLU   3  -5.755   4.597  -3.725
   25   1HB   GLU   3          HB2       GLU   3  -4.936   7.118  -4.150
   26   2HB   GLU   3          HB1       GLU   3  -4.076   6.816  -2.639
   27   1HG   GLU   3          HG2       GLU   3  -3.202   4.678  -3.663
   28   2HG   GLU   3          HG1       GLU   3  -3.901   5.199  -5.196
   29    H    CYS   4           HN       CYS   4  -4.728   3.180  -2.293
   30    HA   CYS   4           HA       CYS   4  -5.395   3.481   0.565
   31   1HB   CYS   4          HB2       CYS   4  -4.918   1.397  -1.364
   32   2HB   CYS   4          HB1       CYS   4  -3.847   1.157   0.016
   33    H    SER   5           HN       SER   5  -3.971   4.648   1.808
   34    HA   SER   5           HA       SER   5  -1.115   4.857   1.090
   35   1HB   SER   5          HB2       SER   5  -2.520   6.748   1.964
   36   2HB   SER   5          HB1       SER   5  -2.681   5.879   3.487
   37    HG   SER   5           HG       SER   5  -0.783   6.593   4.007
   38    H    PHE   6           HN       PHE   6  -3.144   3.286   3.548
   39    HA   PHE   6           HA       PHE   6  -0.855   2.294   5.091
   40   1HB   PHE   6          HB2       PHE   6  -3.258   2.944   5.843
   41   2HB   PHE   6          HB1       PHE   6  -3.720   1.352   5.240
   42    HD1  PHE   6           HD1      PHE   6  -2.324  -0.677   6.085
   43    HD2  PHE   6           HD2      PHE   6  -2.364   3.167   7.999
   44    HE1  PHE   6           HE1      PHE   6  -1.480  -1.709   8.174
   45    HE2  PHE   6           HE2      PHE   6  -1.521   2.135  10.089
   46    HZ   PHE   6           HZ       PHE   6  -1.077  -0.303  10.177
   47    H    SER   7           HN       SER   7  -3.314   0.851   2.904
   48    HA   SER   7           HA       SER   7  -2.022  -1.790   3.041
   49   1HB   SER   7          HB2       SER   7  -4.528  -1.217   2.858
   50   2HB   SER   7          HB1       SER   7  -4.204  -0.863   1.163
   51    HG   SER   7           HG       SER   7  -3.653  -2.955   0.830
   52    H    CYS   8           HN       CYS   8  -0.657  -2.642   1.507
   53    HA   CYS   8           HA       CYS   8  -0.037  -0.953  -0.900
   54   1HB   CYS   8          HB2       CYS   8   1.727  -0.945   0.799
   55   2HB   CYS   8          HB1       CYS   8   1.725  -2.708   0.845
   56    H    GLU   9           HN       GLU   9   0.077  -4.321   0.353
   57    HA   GLU   9           HA       GLU   9   0.280  -5.490  -2.313
   58   1HB   GLU   9          HB2       GLU   9   1.144  -6.399  -0.090
   59   2HB   GLU   9          HB1       GLU   9  -0.528  -6.803   0.297
   60   1HG   GLU   9          HG2       GLU   9  -0.633  -8.488  -1.274
   61   2HG   GLU   9          HG1       GLU   9   0.523  -7.702  -2.349
   62    H    ILE  10           HN       ILE  10  -2.359  -5.084   0.077
   63    HA   ILE  10           HA       ILE  10  -4.300  -6.266  -1.850
   64    HB   ILE  10           HB       ILE  10  -4.541  -5.324   1.031
   65   1HG1  ILE  10          HG12      ILE  10  -4.876  -8.165   0.561
   66   2HG1  ILE  10          HG11      ILE  10  -3.317  -7.625  -0.063
   67   1HG2  ILE  10          HG21      ILE  10  -6.461  -6.718  -0.845
   68   2HG2  ILE  10          HG22      ILE  10  -6.727  -5.241   0.083
   69   3HG2  ILE  10          HG23      ILE  10  -6.638  -6.798   0.908
   70   1HD1  ILE  10          HD11      ILE  10  -4.390  -7.309   2.748
   71   2HD1  ILE  10          HD12      ILE  10  -2.973  -6.438   2.162
   72   3HD1  ILE  10          HD13      ILE  10  -2.957  -8.200   2.235
   73    H    GLU  11           HN       GLU  11  -6.163  -5.056  -2.544
   74    HA   GLU  11           HA       GLU  11  -5.751  -2.095  -2.536
   75   1HB   GLU  11          HB2       GLU  11  -7.164  -4.094  -4.309
   76   2HB   GLU  11          HB1       GLU  11  -7.472  -2.364  -4.462
   77   1HG   GLU  11          HG2       GLU  11  -4.765  -2.339  -4.433
   78   2HG   GLU  11          HG1       GLU  11  -5.042  -3.922  -5.162
   79    H    LYS  12           HN       LYS  12  -6.805  -3.051  -0.132
   80    HA   LYS  12           HA       LYS  12  -9.523  -1.863  -0.173
   81   1HB   LYS  12          HB2       LYS  12  -9.462  -4.448  -0.583
   82   2HB   LYS  12          HB1       LYS  12  -9.089  -4.542   1.138
   83   1HG   LYS  12          HG2       LYS  12 -11.313  -2.722   0.546
   84   2HG   LYS  12          HG1       LYS  12 -11.634  -4.387   0.061
   85   1HD   LYS  12          HD2       LYS  12 -10.764  -5.052   2.391
   86   2HD   LYS  12          HD1       LYS  12 -10.927  -3.346   2.807
   87   1HE   LYS  12          HE2       LYS  12 -13.251  -3.395   2.677
   88   2HE   LYS  12          HE1       LYS  12 -13.258  -4.729   1.508
   89   1HZ   LYS  12          HZ1       LYS  12 -12.383  -4.954   4.342
   90   2HZ   LYS  12          HZ2       LYS  12 -12.461  -6.220   3.211
   91   3HZ   LYS  12          HZ3       LYS  12 -13.886  -5.469   3.751
   92    H    GLU  13           HN       GLU  13  -9.943  -0.781   1.762
   93    HA   GLU  13           HA       GLU  13  -8.064  -1.254   4.057
   94   1HB   GLU  13          HB2       GLU  13  -8.169   0.938   2.306
   95   2HB   GLU  13          HB1       GLU  13  -8.985   1.496   3.765
   96   1HG   GLU  13          HG2       GLU  13  -6.347   0.040   3.923
   97   2HG   GLU  13          HG1       GLU  13  -6.413   1.780   3.644
   98    H    GLY  14           HN       GLY  14  -9.398  -2.081   5.634
   99   1HA   GLY  14          HA2       GLY  14 -11.084  -2.065   7.275
  100   2HA   GLY  14          HA1       GLY  14 -11.557  -0.464   6.703
  101    H    ASP  15           HN       ASP  15 -13.215  -0.289   5.165
  102    HA   ASP  15           HA       ASP  15 -14.404  -2.821   4.111
  103   1HB   ASP  15          HB2       ASP  15 -15.390  -1.835   6.343
  104   2HB   ASP  15          HB1       ASP  15 -16.132  -0.644   5.274
  105    H    LYS  16           HN       LYS  16 -12.859  -1.017   2.608
  106    HA   LYS  16           HA       LYS  16 -14.843  -0.098   0.623
  107   1HB   LYS  16          HB2       LYS  16 -13.762   1.624   2.612
  108   2HB   LYS  16          HB1       LYS  16 -12.978   2.056   1.092
  109   1HG   LYS  16          HG2       LYS  16 -15.072   2.458   0.014
  110   2HG   LYS  16          HG1       LYS  16 -15.972   1.696   1.325
  111   1HD   LYS  16          HD2       LYS  16 -16.246   3.990   1.761
  112   2HD   LYS  16          HD1       LYS  16 -14.914   3.539   2.825
  113   1HE   LYS  16          HE2       LYS  16 -13.281   4.481   1.337
  114   2HE   LYS  16          HE1       LYS  16 -14.476   4.661   0.037
  115   1HZ   LYS  16          HZ1       LYS  16 -14.205   6.757   1.188
  116   2HZ   LYS  16          HZ2       LYS  16 -14.541   6.020   2.683
  117   3HZ   LYS  16          HZ3       LYS  16 -15.754   6.137   1.498
  118    HA   PRO  17           HA       PRO  17 -11.452  -1.457  -1.891
  119   1HB   PRO  17          HB2       PRO  17 -12.352  -0.538  -4.305
  120   2HB   PRO  17          HB1       PRO  17 -13.036  -1.965  -3.501
  121   1HG   PRO  17          HG2       PRO  17 -14.084   0.815  -3.635
  122   2HG   PRO  17          HG1       PRO  17 -14.955  -0.725  -3.696
  123   1HD   PRO  17          HD2       PRO  17 -14.807   0.854  -1.468
  124   2HD   PRO  17          HD1       PRO  17 -15.055  -0.905  -1.420
  125    H    CYS  18           HN       CYS  18  -9.483  -0.488  -2.404
  126    HA   CYS  18           HA       CYS  18  -9.472   2.444  -3.012
  127   1HB   CYS  18          HB2       CYS  18  -7.546   2.627  -1.425
  128   2HB   CYS  18          HB1       CYS  18  -9.038   2.129  -0.630
  129    H    LYS  19           HN       LYS  19  -7.586   3.149  -4.197
  130    HA   LYS  19           HA       LYS  19  -6.536   1.159  -6.065
  131   1HB   LYS  19          HB2       LYS  19  -7.230   3.621  -6.437
  132   2HB   LYS  19          HB1       LYS  19  -5.676   4.039  -5.716
  133   1HG   LYS  19          HG2       LYS  19  -5.502   3.949  -8.172
  134   2HG   LYS  19          HG1       LYS  19  -4.519   2.686  -7.431
  135   1HD   LYS  19          HD2       LYS  19  -5.784   1.018  -8.315
  136   2HD   LYS  19          HD1       LYS  19  -7.294   1.868  -7.988
  137   1HE   LYS  19          HE2       LYS  19  -7.231   3.039 -10.017
  138   2HE   LYS  19          HE1       LYS  19  -5.473   2.858 -10.178
  139   1HZ   LYS  19          HZ1       LYS  19  -7.427   0.616 -10.260
  140   2HZ   LYS  19          HZ2       LYS  19  -5.747   0.496 -10.484
  141   3HZ   LYS  19          HZ3       LYS  19  -6.703   1.313 -11.626
  142    H    LYS  20           HN       LYS  20  -4.177   0.842  -6.407
  143    HA   LYS  20           HA       LYS  20  -2.747   0.432  -3.888
  144   1HB   LYS  20          HB2       LYS  20  -2.835  -0.800  -6.305
  145   2HB   LYS  20          HB1       LYS  20  -1.380   0.173  -6.518
  146   1HG   LYS  20          HG2       LYS  20  -0.575  -0.736  -4.288
  147   2HG   LYS  20          HG1       LYS  20  -1.930  -1.864  -4.346
  148   1HD   LYS  20          HD2       LYS  20  -0.527  -3.221  -5.495
  149   2HD   LYS  20          HD1       LYS  20  -0.821  -2.143  -6.860
  150   1HE   LYS  20          HE2       LYS  20   1.179  -0.906  -6.453
  151   2HE   LYS  20          HE1       LYS  20   1.367  -1.601  -4.830
  152   1HZ   LYS  20          HZ1       LYS  20   2.790  -2.737  -6.438
  153   2HZ   LYS  20          HZ2       LYS  20   1.433  -3.129  -7.384
  154   3HZ   LYS  20          HZ3       LYS  20   1.608  -3.790  -5.826
  155    H    LYS  21           HN       LYS  21  -0.736   1.424  -3.300
  156    HA   LYS  21           HA       LYS  21  -0.320   4.149  -4.464
  157   1HB   LYS  21          HB2       LYS  21  -0.837   3.954  -2.059
  158   2HB   LYS  21          HB1       LYS  21   0.533   2.864  -1.845
  159   1HG   LYS  21          HG2       LYS  21   2.088   4.634  -2.514
  160   2HG   LYS  21          HG1       LYS  21   0.741   5.728  -2.828
  161   1HD   LYS  21          HD2       LYS  21   0.121   5.759  -0.502
  162   2HD   LYS  21          HD1       LYS  21   1.258   4.465  -0.125
  163   1HE   LYS  21          HE2       LYS  21   3.079   5.879  -0.139
  164   2HE   LYS  21          HE1       LYS  21   2.396   6.910  -1.412
  165   1HZ   LYS  21          HZ1       LYS  21   1.385   6.746   1.381
  166   2HZ   LYS  21          HZ2       LYS  21   0.780   7.755   0.154
  167   3HZ   LYS  21          HZ3       LYS  21   2.344   8.004   0.769
  168    H    LYS  22           HN       LYS  22   1.642   4.666  -5.417
  169    HA   LYS  22           HA       LYS  22   3.574   2.467  -5.881
  170   1HB   LYS  22          HB2       LYS  22   2.505   4.420  -7.446
  171   2HB   LYS  22          HB1       LYS  22   4.003   5.208  -6.954
  172   1HG   LYS  22          HG2       LYS  22   4.259   2.372  -7.787
  173   2HG   LYS  22          HG1       LYS  22   3.838   3.510  -9.066
  174   1HD   LYS  22          HD2       LYS  22   5.980   4.418  -7.237
  175   2HD   LYS  22          HD1       LYS  22   6.395   3.034  -8.248
  176   1HE   LYS  22          HE2       LYS  22   6.647   4.396 -10.040
  177   2HE   LYS  22          HE1       LYS  22   4.988   4.992  -9.845
  178   1HZ   LYS  22          HZ1       LYS  22   7.346   5.917  -8.284
  179   2HZ   LYS  22          HZ2       LYS  22   5.754   6.485  -8.110
  180   3HZ   LYS  22          HZ3       LYS  22   6.610   6.778  -9.547
  181    H    CYS  23           HN       CYS  23   5.128   2.229  -4.307
  182    HA   CYS  23           HA       CYS  23   5.952   4.435  -2.565
  183   1HB   CYS  23          HB2       CYS  23   6.142   1.540  -2.738
  184   2HB   CYS  23          HB1       CYS  23   7.699   2.239  -2.299
  185    H    LYS  24           HN       LYS  24   8.470   4.650  -2.245
  186    HA   LYS  24           HA       LYS  24   9.599   5.578  -4.794
  187   1HB   LYS  24          HB2       LYS  24   9.996   5.896  -1.902
  188   2HB   LYS  24          HB1       LYS  24  11.513   5.843  -2.797
  189   1HG   LYS  24          HG2       LYS  24  10.660   7.607  -4.318
  190   2HG   LYS  24          HG1       LYS  24   9.171   7.680  -3.376
  191   1HD   LYS  24          HD2       LYS  24  10.512   9.438  -2.511
  192   2HD   LYS  24          HD1       LYS  24  10.679   8.130  -1.339
  193   1HE   LYS  24          HE2       LYS  24  12.874   7.664  -1.966
  194   2HE   LYS  24          HE1       LYS  24  12.643   8.284  -3.613
  195   1HZ   LYS  24          HZ1       LYS  24  13.906   9.853  -2.256
  196   2HZ   LYS  24          HZ2       LYS  24  12.634   9.926  -1.131
  197   3HZ   LYS  24          HZ3       LYS  24  12.411  10.514  -2.710
  198    H    GLY  25           HN       GLY  25  11.983   5.016  -5.242
  199   1HA   GLY  25          HA2       GLY  25  12.280   2.206  -5.675
  200   2HA   GLY  25          HA1       GLY  25  13.563   3.398  -5.861
  201    H    GLY  26           HN       GLY  26  13.399   4.314  -3.056
  202   1HA   GLY  26          HA2       GLY  26  15.001   2.138  -1.870
  203   2HA   GLY  26          HA1       GLY  26  14.837   3.769  -1.228
  204    H    TRP  27           HN       TRP  27  11.871   2.187  -2.095
  205    HA   TRP  27           HA       TRP  27  11.339   1.612   0.803
  206   1HB   TRP  27          HB2       TRP  27   9.701   2.871  -1.406
  207   2HB   TRP  27          HB1       TRP  27   8.931   2.198   0.030
  208    HD1  TRP  27           HD1      TRP  27  11.638   4.786  -0.908
  209    HE1  TRP  27           HE1      TRP  27  11.650   6.627   0.895
  210    HE3  TRP  27           HE3      TRP  27   8.207   2.854   2.343
  211    HZ2  TRP  27           HZ2      TRP  27  10.373   7.203   3.388
  212    HZ3  TRP  27           HZ3      TRP  27   7.626   4.068   4.423
  213    HH2  TRP  27           HH2      TRP  27   8.704   6.238   4.949
  214    H    LYS  28           HN       LYS  28  10.672  -0.475   1.212
  215    HA   LYS  28           HA       LYS  28  10.018  -2.204  -1.144
  216   1HB   LYS  28          HB2       LYS  28  11.696  -2.444   1.195
  217   2HB   LYS  28          HB1       LYS  28  10.488  -3.730   1.205
  218   1HG   LYS  28          HG2       LYS  28  11.127  -3.982  -1.328
  219   2HG   LYS  28          HG1       LYS  28  12.601  -3.140  -0.851
  220   1HD   LYS  28          HD2       LYS  28  12.764  -4.888   1.044
  221   2HD   LYS  28          HD1       LYS  28  11.563  -5.800   0.128
  222   1HE   LYS  28          HE2       LYS  28  13.840  -4.786  -1.481
  223   2HE   LYS  28          HE1       LYS  28  14.247  -6.041  -0.295
  224   1HZ   LYS  28          HZ1       LYS  28  12.409  -7.376  -1.117
  225   2HZ   LYS  28          HZ2       LYS  28  13.482  -7.018  -2.384
  226   3HZ   LYS  28          HZ3       LYS  28  12.010  -6.180  -2.252
  227    H    CYS  29           HN       CYS  29   7.987  -3.035  -1.292
  228    HA   CYS  29           HA       CYS  29   5.961  -2.329   0.717
  229   1HB   CYS  29          HB2       CYS  29   5.521  -2.150  -1.676
  230   2HB   CYS  29          HB1       CYS  29   5.926  -3.849  -1.913
  231    H    LYS  30           HN       LYS  30   5.762  -3.612   2.509
  232    HA   LYS  30           HA       LYS  30   6.644  -6.418   2.521
  233   1HB   LYS  30          HB2       LYS  30   6.524  -4.353   4.323
  234   2HB   LYS  30          HB1       LYS  30   5.110  -5.296   4.792
  235   1HG   LYS  30          HG2       LYS  30   6.643  -7.345   4.750
  236   2HG   LYS  30          HG1       LYS  30   7.988  -6.208   4.650
  237   1HD   LYS  30          HD2       LYS  30   7.055  -5.081   6.720
  238   2HD   LYS  30          HD1       LYS  30   5.938  -6.439   6.864
  239   1HE   LYS  30          HE2       LYS  30   8.008  -7.962   6.775
  240   2HE   LYS  30          HE1       LYS  30   8.960  -6.490   7.048
  241   1HZ   LYS  30          HZ1       LYS  30   7.573  -6.007   8.982
  242   2HZ   LYS  30          HZ2       LYS  30   8.355  -7.506   9.153
  243   3HZ   LYS  30          HZ3       LYS  30   6.708  -7.446   8.739
  244    H    PHE  31           HN       PHE  31   4.571  -7.333   4.390
  245    HA   PHE  31           HA       PHE  31   2.682  -8.482   2.575
  246   1HB   PHE  31          HB2       PHE  31   2.510  -8.043   5.581
  247   2HB   PHE  31          HB1       PHE  31   1.583  -9.227   4.662
  248    HD1  PHE  31           HD1      PHE  31   3.498 -10.392   2.816
  249    HD2  PHE  31           HD2      PHE  31   4.057  -9.196   6.906
  250    HE1  PHE  31           HE1      PHE  31   5.355 -12.020   3.040
  251    HE2  PHE  31           HE2      PHE  31   5.913 -10.824   7.128
  252    HZ   PHE  31           HZ       PHE  31   6.562 -12.236   5.196
  253    H    ASN  32           HN       ASN  32   2.382  -5.744   4.858
  254    HA   ASN  32           HA       ASN  32   0.267  -4.554   3.158
  255   1HB   ASN  32          HB2       ASN  32  -0.395  -6.245   5.238
  256   2HB   ASN  32          HB1       ASN  32  -0.448  -4.666   6.020
  257   1HD2  ASN  32          HD21      ASN  32  -2.834  -6.207   5.551
  258   2HD2  ASN  32          HD22      ASN  32  -3.785  -5.376   4.417
  259    H    MET  33           HN       MET  33   3.038  -3.809   3.973
  260    HA   MET  33           HA       MET  33   2.445  -1.089   4.979
  261   1HB   MET  33          HB2       MET  33   3.229  -3.229   6.669
  262   2HB   MET  33          HB1       MET  33   4.648  -2.199   6.494
  263   1HG   MET  33          HG2       MET  33   3.694  -0.475   7.641
  264   2HG   MET  33          HG1       MET  33   2.106  -0.749   6.925
  265   1HE   MET  33          HE1       MET  33   3.981  -3.179  10.351
  266   2HE   MET  33          HE2       MET  33   4.533  -1.565   9.914
  267   3HE   MET  33          HE3       MET  33   4.680  -2.882   8.754
  268    H    CYS  34           HN       CYS  34   3.716   0.294   3.778
  269    HA   CYS  34           HA       CYS  34   6.029  -0.806   2.274
  270   1HB   CYS  34          HB2       CYS  34   4.020   0.866   1.585
  271   2HB   CYS  34          HB1       CYS  34   5.214   2.058   2.101
  272    H    VAL  35           HN       VAL  35   7.932  -0.811   3.394
  273    HA   VAL  35           HA       VAL  35   8.626   1.621   5.019
  274    HB   VAL  35           HB       VAL  35   9.311  -1.302   5.505
  275   1HG1  VAL  35          HG11      VAL  35   9.636   0.898   7.521
  276   2HG1  VAL  35          HG12      VAL  35  10.876   0.677   6.288
  277   3HG1  VAL  35          HG13      VAL  35  10.494  -0.637   7.398
  278   1HG2  VAL  35          HG21      VAL  35   7.833  -0.346   7.656
  279   2HG2  VAL  35          HG22      VAL  35   7.216  -1.378   6.366
  280   3HG2  VAL  35          HG23      VAL  35   7.027   0.372   6.263
  281    H    LYS  36           HN       LYS  36  10.812   2.316   4.845
  282    HA   LYS  36           HA       LYS  36  12.189   2.001   2.395
  283   1HB   LYS  36          HB2       LYS  36  12.870   2.897   5.181
  284   2HB   LYS  36          HB1       LYS  36  14.163   2.769   3.989
  285   1HG   LYS  36          HG2       LYS  36  12.894   4.246   2.461
  286   2HG   LYS  36          HG1       LYS  36  11.619   4.387   3.673
  287   1HD   LYS  36          HD2       LYS  36  12.843   6.268   4.209
  288   2HD   LYS  36          HD1       LYS  36  13.673   5.087   5.222
  289   1HE   LYS  36          HE2       LYS  36  14.835   4.976   2.598
  290   2HE   LYS  36          HE1       LYS  36  14.803   6.668   3.134
  291   1HZ   LYS  36          HZ1       LYS  36  15.782   4.359   4.735
  292   2HZ   LYS  36          HZ2       LYS  36  15.724   5.973   5.264
  293   3HZ   LYS  36          HZ3       LYS  36  16.761   5.529   3.995
  294    H    VAL  37           HN       VAL  37  13.864   0.608   1.727
  295    HA   VAL  37           HA       VAL  37  14.024  -2.010   2.946
  296    HB   VAL  37           HB       VAL  37  14.297  -1.489   0.522
  297   1HG1  VAL  37          HG11      VAL  37  16.024  -0.221  -0.330
  298   2HG1  VAL  37          HG12      VAL  37  17.120  -0.634   0.988
  299   3HG1  VAL  37          HG13      VAL  37  15.856   0.570   1.238
  300   1HG2  VAL  37          HG21      VAL  37  16.043  -3.091   0.115
  301   2HG2  VAL  37          HG22      VAL  37  15.269  -3.562   1.628
  302   3HG2  VAL  37          HG23      VAL  37  16.821  -2.725   1.655
  Start of MODEL    7
    1   1H    LEU   1          HT1       LEU   1 -13.043   8.682   2.286
    2   2H    LEU   1          HT2       LEU   1 -11.573   8.619   3.138
    3   3H    LEU   1          HT3       LEU   1 -12.977   7.934   3.807
    4    HA   LEU   1           HA       LEU   1 -13.034   6.247   2.081
    5   1HB   LEU   1          HB2       LEU   1 -11.587   8.235   0.760
    6   2HB   LEU   1          HB1       LEU   1 -10.403   6.949   0.997
    7    HG   LEU   1           HG       LEU   1 -13.004   5.915   0.150
    8   1HD1  LEU   1          HD11      LEU   1 -13.365   7.039  -1.800
    9   2HD1  LEU   1          HD12      LEU   1 -11.642   7.246  -2.114
   10   3HD1  LEU   1          HD13      LEU   1 -12.473   8.336  -1.004
   11   1HD2  LEU   1          HD21      LEU   1 -11.619   4.639  -1.367
   12   2HD2  LEU   1          HD22      LEU   1 -10.769   4.730   0.176
   13   3HD2  LEU   1          HD23      LEU   1 -10.275   5.763  -1.165
   14    H    PHE   2           HN       PHE   2 -11.653   4.292   2.232
   15    HA   PHE   2           HA       PHE   2 -10.114   4.254   4.763
   16   1HB   PHE   2          HB2       PHE   2 -11.812   2.509   3.284
   17   2HB   PHE   2          HB1       PHE   2 -10.229   1.733   3.377
   18    HD1  PHE   2           HD1      PHE   2 -12.214   3.929   5.689
   19    HD2  PHE   2           HD2      PHE   2 -10.117   0.219   5.147
   20    HE1  PHE   2           HE1      PHE   2 -12.631   3.348   8.061
   21    HE2  PHE   2           HE2      PHE   2 -10.536  -0.363   7.522
   22    HZ   PHE   2           HZ       PHE   2 -11.792   1.203   8.979
   23    H    GLU   3           HN       GLU   3  -8.098   2.637   4.599
   24    HA   GLU   3           HA       GLU   3  -6.392   3.646   2.348
   25   1HB   GLU   3          HB2       GLU   3  -6.015   3.023   5.246
   26   2HB   GLU   3          HB1       GLU   3  -4.639   2.749   4.181
   27   1HG   GLU   3          HG2       GLU   3  -4.386   4.995   4.890
   28   2HG   GLU   3          HG1       GLU   3  -5.089   5.124   3.277
   29    H    CYS   4           HN       CYS   4  -4.914   2.130   1.345
   30    HA   CYS   4           HA       CYS   4  -5.981  -0.617   1.150
   31   1HB   CYS   4          HB2       CYS   4  -3.713   0.860  -0.228
   32   2HB   CYS   4          HB1       CYS   4  -4.286  -0.742  -0.683
   33    H    SER   5           HN       SER   5  -4.760  -2.501   1.641
   34    HA   SER   5           HA       SER   5  -2.741  -2.164   3.771
   35   1HB   SER   5          HB2       SER   5  -3.058  -4.633   3.937
   36   2HB   SER   5          HB1       SER   5  -4.590  -3.767   3.980
   37    HG   SER   5           HG       SER   5  -5.129  -4.833   2.264
   38    H    PHE   6           HN       PHE   6  -2.918  -3.866   0.604
   39    HA   PHE   6           HA       PHE   6   0.083  -3.843   0.528
   40   1HB   PHE   6          HB2       PHE   6  -1.818  -5.609  -1.037
   41   2HB   PHE   6          HB1       PHE   6  -0.097  -5.862  -0.759
   42    HD1  PHE   6           HD1      PHE   6  -3.250  -6.942   0.214
   43    HD2  PHE   6           HD2      PHE   6   0.520  -5.767   1.908
   44    HE1  PHE   6           HE1      PHE   6  -3.773  -8.225   2.270
   45    HE2  PHE   6           HE2      PHE   6  -0.004  -7.051   3.963
   46    HZ   PHE   6           HZ       PHE   6  -2.150  -8.280   4.144
   47    H    SER   7           HN       SER   7  -1.915  -1.687  -0.428
   48    HA   SER   7           HA       SER   7  -1.017  -1.623  -3.294
   49   1HB   SER   7          HB2       SER   7  -3.600  -1.689  -2.207
   50   2HB   SER   7          HB1       SER   7  -3.355  -0.003  -2.648
   51    HG   SER   7           HG       SER   7  -3.634  -2.230  -4.222
   52    H    CYS   8           HN       CYS   8   0.803  -0.292  -3.027
   53    HA   CYS   8           HA       CYS   8   0.528   2.249  -1.493
   54   1HB   CYS   8          HB2       CYS   8   2.455   0.738  -1.124
   55   2HB   CYS   8          HB1       CYS   8   2.889   0.880  -2.827
   56    H    GLU   9           HN       GLU   9   1.455   1.109  -4.766
   57    HA   GLU   9           HA       GLU   9   1.565   3.852  -5.823
   58   1HB   GLU   9          HB2       GLU   9   2.665   1.380  -6.443
   59   2HB   GLU   9          HB1       GLU   9   1.461   1.601  -7.712
   60   1HG   GLU   9          HG2       GLU   9   3.371   2.648  -8.603
   61   2HG   GLU   9          HG1       GLU   9   2.455   3.996  -7.931
   62    H    ILE  10           HN       ILE  10  -0.521   0.975  -6.357
   63    HA   ILE  10           HA       ILE  10  -2.488   2.633  -7.836
   64    HB   ILE  10           HB       ILE  10  -2.328  -0.321  -7.128
   65   1HG1  ILE  10          HG12      ILE  10  -2.015   0.799  -9.893
   66   2HG1  ILE  10          HG11      ILE  10  -0.651   0.914  -8.782
   67   1HG2  ILE  10          HG21      ILE  10  -4.568  -0.166  -7.614
   68   2HG2  ILE  10          HG22      ILE  10  -3.967  -0.213  -9.272
   69   3HG2  ILE  10          HG23      ILE  10  -4.375   1.332  -8.524
   70   1HD1  ILE  10          HD11      ILE  10  -0.623  -1.175 -10.168
   71   2HD1  ILE  10          HD12      ILE  10  -2.131  -1.659  -9.392
   72   3HD1  ILE  10          HD13      ILE  10  -0.661  -1.489  -8.434
   73    H    GLU  11           HN       GLU  11  -4.655   2.924  -7.091
   74    HA   GLU  11           HA       GLU  11  -4.988   2.715  -4.137
   75   1HB   GLU  11          HB2       GLU  11  -6.128   4.330  -6.395
   76   2HB   GLU  11          HB1       GLU  11  -7.079   4.158  -4.919
   77   1HG   GLU  11          HG2       GLU  11  -5.077   4.923  -3.611
   78   2HG   GLU  11          HG1       GLU  11  -4.257   5.243  -5.140
   79    H    LYS  12           HN       LYS  12  -5.191   0.264  -5.652
   80    HA   LYS  12           HA       LYS  12  -8.047  -0.425  -5.106
   81   1HB   LYS  12          HB2       LYS  12  -7.486   0.108  -7.565
   82   2HB   LYS  12          HB1       LYS  12  -6.521  -1.368  -7.545
   83   1HG   LYS  12          HG2       LYS  12  -8.370  -2.617  -7.826
   84   2HG   LYS  12          HG1       LYS  12  -9.085  -1.922  -6.372
   85   1HD   LYS  12          HD2       LYS  12 -10.629  -1.102  -7.841
   86   2HD   LYS  12          HD1       LYS  12  -9.412   0.147  -8.103
   87   1HE   LYS  12          HE2       LYS  12  -8.474  -1.199  -9.989
   88   2HE   LYS  12          HE1       LYS  12  -9.787  -2.372  -9.765
   89   1HZ   LYS  12          HZ1       LYS  12 -10.113   0.534 -10.311
   90   2HZ   LYS  12          HZ2       LYS  12 -11.385  -0.554 -10.018
   91   3HZ   LYS  12          HZ3       LYS  12 -10.420  -0.724 -11.406
   92    H    GLU  13           HN       GLU  13  -7.881  -1.989  -3.539
   93    HA   GLU  13           HA       GLU  13  -5.486  -3.671  -3.292
   94   1HB   GLU  13          HB2       GLU  13  -6.911  -2.618  -1.436
   95   2HB   GLU  13          HB1       GLU  13  -8.108  -3.865  -1.789
   96   1HG   GLU  13          HG2       GLU  13  -6.560  -4.502   0.071
   97   2HG   GLU  13          HG1       GLU  13  -6.491  -5.621  -1.289
   98    H    GLY  14           HN       GLY  14  -8.420  -3.923  -5.055
   99   1HA   GLY  14          HA2       GLY  14  -8.744  -5.777  -6.606
  100   2HA   GLY  14          HA1       GLY  14  -7.919  -6.834  -5.458
  101    H    ASP  15           HN       ASP  15  -9.152  -6.530  -3.121
  102    HA   ASP  15           HA       ASP  15 -11.875  -7.569  -3.635
  103   1HB   ASP  15          HB2       ASP  15  -9.760  -7.897  -1.722
  104   2HB   ASP  15          HB1       ASP  15 -11.216  -7.397  -0.860
  105    H    LYS  16           HN       LYS  16 -10.311  -4.766  -2.102
  106    HA   LYS  16           HA       LYS  16 -12.966  -3.402  -2.018
  107   1HB   LYS  16          HB2       LYS  16 -11.402  -4.409   0.202
  108   2HB   LYS  16          HB1       LYS  16 -11.544  -2.654   0.311
  109   1HG   LYS  16          HG2       LYS  16 -14.048  -2.988  -0.149
  110   2HG   LYS  16          HG1       LYS  16 -13.765  -4.697   0.181
  111   1HD   LYS  16          HD2       LYS  16 -14.371  -3.878   2.291
  112   2HD   LYS  16          HD1       LYS  16 -12.609  -3.828   2.361
  113   1HE   LYS  16          HE2       LYS  16 -12.553  -1.471   1.988
  114   2HE   LYS  16          HE1       LYS  16 -14.247  -1.439   1.461
  115   1HZ   LYS  16          HZ1       LYS  16 -14.905  -2.208   3.664
  116   2HZ   LYS  16          HZ2       LYS  16 -14.057  -0.740   3.769
  117   3HZ   LYS  16          HZ3       LYS  16 -13.286  -2.199   4.172
  118    HA   PRO  17           HA       PRO  17 -10.336  -0.245  -3.735
  119   1HB   PRO  17          HB2       PRO  17 -12.205   1.752  -3.814
  120   2HB   PRO  17          HB1       PRO  17 -12.173   0.416  -4.982
  121   1HG   PRO  17          HG2       PRO  17 -13.905   0.803  -2.596
  122   2HG   PRO  17          HG1       PRO  17 -14.302   0.124  -4.182
  123   1HD   PRO  17          HD2       PRO  17 -13.840  -1.390  -1.951
  124   2HD   PRO  17          HD1       PRO  17 -13.574  -1.967  -3.611
  125    H    CYS  18           HN       CYS  18  -9.025   1.313  -2.751
  126    HA   CYS  18           HA       CYS  18  -9.987   2.783  -0.371
  127   1HB   CYS  18          HB2       CYS  18  -7.834   1.871   0.823
  128   2HB   CYS  18          HB1       CYS  18  -9.277   0.862   0.770
  129    H    LYS  19           HN       LYS  19  -8.117   4.217   0.472
  130    HA   LYS  19           HA       LYS  19  -6.956   5.664  -1.801
  131   1HB   LYS  19          HB2       LYS  19  -8.045   6.453   0.478
  132   2HB   LYS  19          HB1       LYS  19  -6.414   6.219   1.106
  133   1HG   LYS  19          HG2       LYS  19  -6.216   7.625  -1.380
  134   2HG   LYS  19          HG1       LYS  19  -7.424   8.435  -0.382
  135   1HD   LYS  19          HD2       LYS  19  -5.019   7.604   1.102
  136   2HD   LYS  19          HD1       LYS  19  -4.706   8.803  -0.153
  137   1HE   LYS  19          HE2       LYS  19  -5.252  10.111   1.758
  138   2HE   LYS  19          HE1       LYS  19  -6.773  10.056   0.847
  139   1HZ   LYS  19          HZ1       LYS  19  -6.011   8.129   2.980
  140   2HZ   LYS  19          HZ2       LYS  19  -7.494   8.185   2.150
  141   3HZ   LYS  19          HZ3       LYS  19  -7.060   9.443   3.205
  142    H    LYS  20           HN       LYS  20  -4.547   6.480  -1.312
  143    HA   LYS  20           HA       LYS  20  -2.843   4.098  -1.324
  144   1HB   LYS  20          HB2       LYS  20  -2.565   7.059  -1.730
  145   2HB   LYS  20          HB1       LYS  20  -1.109   6.100  -1.463
  146   1HG   LYS  20          HG2       LYS  20  -1.343   4.931  -3.439
  147   2HG   LYS  20          HG1       LYS  20  -3.099   5.079  -3.441
  148   1HD   LYS  20          HD2       LYS  20  -2.379   6.514  -5.188
  149   2HD   LYS  20          HD1       LYS  20  -2.717   7.594  -3.835
  150   1HE   LYS  20          HE2       LYS  20  -0.595   8.329  -4.599
  151   2HE   LYS  20          HE1       LYS  20  -0.179   7.252  -3.252
  152   1HZ   LYS  20          HZ1       LYS  20   0.989   6.833  -5.459
  153   2HZ   LYS  20          HZ2       LYS  20  -0.502   6.239  -6.017
  154   3HZ   LYS  20          HZ3       LYS  20   0.277   5.493  -4.703
  155    H    LYS  21           HN       LYS  21  -1.790   3.271   0.432
  156    HA   LYS  21           HA       LYS  21  -1.939   4.719   3.024
  157   1HB   LYS  21          HB2       LYS  21  -2.662   2.351   2.773
  158   2HB   LYS  21          HB1       LYS  21  -1.028   1.920   2.271
  159   1HG   LYS  21          HG2       LYS  21  -0.287   3.007   4.515
  160   2HG   LYS  21          HG1       LYS  21  -1.980   2.838   4.979
  161   1HD   LYS  21          HD2       LYS  21  -1.916   0.464   4.719
  162   2HD   LYS  21          HD1       LYS  21  -0.359   0.527   3.892
  163   1HE   LYS  21          HE2       LYS  21   0.702   1.378   5.980
  164   2HE   LYS  21          HE1       LYS  21  -0.861   1.231   6.808
  165   1HZ   LYS  21          HZ1       LYS  21   0.373  -0.786   7.147
  166   2HZ   LYS  21          HZ2       LYS  21   0.660  -0.953   5.482
  167   3HZ   LYS  21          HZ3       LYS  21  -0.915  -1.122   6.097
  168    H    LYS  22           HN       LYS  22  -0.145   5.661   3.939
  169    HA   LYS  22           HA       LYS  22   2.373   5.765   2.447
  170   1HB   LYS  22          HB2       LYS  22   0.968   7.343   4.277
  171   2HB   LYS  22          HB1       LYS  22   2.370   6.789   5.191
  172   1HG   LYS  22          HG2       LYS  22   3.109   8.776   4.131
  173   2HG   LYS  22          HG1       LYS  22   3.763   7.478   3.132
  174   1HD   LYS  22          HD2       LYS  22   2.815   8.757   1.466
  175   2HD   LYS  22          HD1       LYS  22   1.409   7.778   1.887
  176   1HE   LYS  22          HE2       LYS  22   0.488   9.926   1.996
  177   2HE   LYS  22          HE1       LYS  22   1.024   9.726   3.676
  178   1HZ   LYS  22          HZ1       LYS  22   3.097  10.788   3.152
  179   2HZ   LYS  22          HZ2       LYS  22   1.833  11.809   2.654
  180   3HZ   LYS  22          HZ3       LYS  22   2.690  10.894   1.507
  181    H    CYS  23           HN       CYS  23   3.997   4.289   2.693
  182    HA   CYS  23           HA       CYS  23   3.876   2.203   4.728
  183   1HB   CYS  23          HB2       CYS  23   5.105   2.699   2.219
  184   2HB   CYS  23          HB1       CYS  23   6.415   2.413   3.363
  185    H    LYS  24           HN       LYS  24   6.316   1.782   5.727
  186    HA   LYS  24           HA       LYS  24   6.663   3.869   7.722
  187   1HB   LYS  24          HB2       LYS  24   7.662   1.163   7.080
  188   2HB   LYS  24          HB1       LYS  24   8.808   2.174   7.960
  189   1HG   LYS  24          HG2       LYS  24   7.644   1.319   9.756
  190   2HG   LYS  24          HG1       LYS  24   6.620   2.713   9.412
  191   1HD   LYS  24          HD2       LYS  24   5.145   0.835   9.608
  192   2HD   LYS  24          HD1       LYS  24   5.266   1.187   7.885
  193   1HE   LYS  24          HE2       LYS  24   5.690  -1.082   7.770
  194   2HE   LYS  24          HE1       LYS  24   7.341  -0.556   8.149
  195   1HZ   LYS  24          HZ1       LYS  24   6.907  -0.827  10.478
  196   2HZ   LYS  24          HZ2       LYS  24   6.502  -2.276   9.690
  197   3HZ   LYS  24          HZ3       LYS  24   5.278  -1.207  10.189
  198    H    GLY  25           HN       GLY  25   8.981   4.691   8.176
  199   1HA   GLY  25          HA2       GLY  25   9.896   6.232   5.924
  200   2HA   GLY  25          HA1       GLY  25  10.701   6.128   7.490
  201    H    GLY  26           HN       GLY  26  11.063   3.232   7.441
  202   1HA   GLY  26          HA2       GLY  26  13.338   3.155   5.534
  203   2HA   GLY  26          HA1       GLY  26  13.122   2.083   6.915
  204    H    TRP  27           HN       TRP  27  10.605   2.790   4.500
  205    HA   TRP  27           HA       TRP  27  10.862  -0.038   3.526
  206   1HB   TRP  27          HB2       TRP  27   8.523   1.561   4.538
  207   2HB   TRP  27          HB1       TRP  27   8.247   0.274   3.364
  208    HD1  TRP  27           HD1      TRP  27   9.915   0.793   6.808
  209    HE1  TRP  27           HE1      TRP  27   9.749  -1.415   8.125
  210    HE3  TRP  27           HE3      TRP  27   7.789  -2.200   3.254
  211    HZ2  TRP  27           HZ2      TRP  27   8.842  -4.095   7.726
  212    HZ3  TRP  27           HZ3      TRP  27   7.290  -4.576   3.752
  213    HH2  TRP  27           HH2      TRP  27   7.814  -5.526   5.980
  214    H    LYS  28           HN       LYS  28  10.859  -0.223   1.311
  215    HA   LYS  28           HA       LYS  28  10.482   2.264  -0.293
  216   1HB   LYS  28          HB2       LYS  28  12.557   0.676  -0.255
  217   2HB   LYS  28          HB1       LYS  28  11.562  -0.383  -1.256
  218   1HG   LYS  28          HG2       LYS  28  11.482   2.398  -2.157
  219   2HG   LYS  28          HG1       LYS  28  13.114   1.731  -2.176
  220   1HD   LYS  28          HD2       LYS  28  12.362  -0.174  -3.507
  221   2HD   LYS  28          HD1       LYS  28  10.695   0.399  -3.425
  222   1HE   LYS  28          HE2       LYS  28  11.817   2.627  -4.421
  223   2HE   LYS  28          HE1       LYS  28  12.970   1.437  -5.057
  224   1HZ   LYS  28          HZ1       LYS  28  11.166   1.596  -6.595
  225   2HZ   LYS  28          HZ2       LYS  28  10.014   1.407  -5.361
  226   3HZ   LYS  28          HZ3       LYS  28  11.021   0.108  -5.794
  227    H    CYS  29           HN       CYS  29   8.655   2.483  -1.517
  228    HA   CYS  29           HA       CYS  29   6.712   0.281  -1.703
  229   1HB   CYS  29          HB2       CYS  29   6.856   3.210  -2.194
  230   2HB   CYS  29          HB1       CYS  29   5.701   2.324  -3.188
  231    H    LYS  30           HN       LYS  30   6.927  -1.222  -3.311
  232    HA   LYS  30           HA       LYS  30   8.399  -0.551  -5.799
  233   1HB   LYS  30          HB2       LYS  30   8.215  -2.751  -4.116
  234   2HB   LYS  30          HB1       LYS  30   7.220  -3.230  -5.490
  235   1HG   LYS  30          HG2       LYS  30   9.000  -3.296  -6.928
  236   2HG   LYS  30          HG1       LYS  30   9.808  -1.933  -6.152
  237   1HD   LYS  30          HD2       LYS  30  10.774  -3.272  -4.498
  238   2HD   LYS  30          HD1       LYS  30   9.570  -4.548  -4.688
  239   1HE   LYS  30          HE2       LYS  30  10.570  -4.779  -7.108
  240   2HE   LYS  30          HE1       LYS  30  11.974  -3.954  -6.403
  241   1HZ   LYS  30          HZ1       LYS  30  12.065  -6.395  -6.145
  242   2HZ   LYS  30          HZ2       LYS  30  10.649  -6.332  -5.209
  243   3HZ   LYS  30          HZ3       LYS  30  12.069  -5.576  -4.660
  244    H    PHE  31           HN       PHE  31   6.799  -2.625  -7.302
  245    HA   PHE  31           HA       PHE  31   4.961  -0.945  -8.658
  246   1HB   PHE  31          HB2       PHE  31   5.522  -3.872  -8.433
  247   2HB   PHE  31          HB1       PHE  31   4.027  -3.393  -9.237
  248    HD1  PHE  31           HD1      PHE  31   7.412  -4.091  -9.778
  249    HD2  PHE  31           HD2      PHE  31   4.360  -1.285 -10.910
  250    HE1  PHE  31           HE1      PHE  31   8.694  -3.520 -11.823
  251    HE2  PHE  31           HE2      PHE  31   5.643  -0.716 -12.954
  252    HZ   PHE  31           HZ       PHE  31   7.809  -1.833 -13.411
  253    H    ASN  32           HN       ASN  32   4.105  -3.632  -6.416
  254    HA   ASN  32           HA       ASN  32   1.799  -2.003  -5.442
  255   1HB   ASN  32          HB2       ASN  32   1.299  -3.602  -7.438
  256   2HB   ASN  32          HB1       ASN  32   1.469  -4.895  -6.248
  257   1HD2  ASN  32          HD21      ASN  32  -0.172  -1.661  -6.391
  258   2HD2  ASN  32          HD22      ASN  32  -1.615  -2.208  -5.684
  259    H    MET  33           HN       MET  33   4.315  -2.734  -4.149
  260    HA   MET  33           HA       MET  33   3.207  -4.080  -1.764
  261   1HB   MET  33          HB2       MET  33   4.956  -5.824  -1.802
  262   2HB   MET  33          HB1       MET  33   3.972  -5.905  -3.262
  263   1HG   MET  33          HG2       MET  33   6.057  -4.101  -3.859
  264   2HG   MET  33          HG1       MET  33   6.820  -5.445  -3.010
  265   1HE   MET  33          HE1       MET  33   6.388  -7.694  -3.315
  266   2HE   MET  33          HE2       MET  33   6.341  -8.492  -4.884
  267   3HE   MET  33          HE3       MET  33   4.835  -8.103  -4.057
  268    H    CYS  34           HN       CYS  34   5.085  -4.212  -0.046
  269    HA   CYS  34           HA       CYS  34   6.878  -1.822  -0.320
  270   1HB   CYS  34          HB2       CYS  34   4.597  -1.966   1.202
  271   2HB   CYS  34          HB1       CYS  34   5.819  -2.485   2.363
  272    H    VAL  35           HN       VAL  35   8.984  -2.227   0.296
  273    HA   VAL  35           HA       VAL  35   9.542  -4.731   1.855
  274    HB   VAL  35           HB       VAL  35  10.845  -3.616  -0.648
  275   1HG1  VAL  35          HG11      VAL  35  11.852  -5.580   1.393
  276   2HG1  VAL  35          HG12      VAL  35  12.737  -4.327   0.522
  277   3HG1  VAL  35          HG13      VAL  35  12.265  -5.810  -0.307
  278   1HG2  VAL  35          HG21      VAL  35  10.398  -6.250  -1.096
  279   2HG2  VAL  35          HG22      VAL  35   9.203  -5.005  -1.457
  280   3HG2  VAL  35          HG23      VAL  35   9.094  -5.921   0.046
  281    H    LYS  36           HN       LYS  36  10.765  -4.319   3.645
  282    HA   LYS  36           HA       LYS  36  11.663  -1.684   4.353
  283   1HB   LYS  36          HB2       LYS  36  11.115  -3.961   5.671
  284   2HB   LYS  36          HB1       LYS  36  12.868  -4.129   5.578
  285   1HG   LYS  36          HG2       LYS  36  11.955  -1.434   6.353
  286   2HG   LYS  36          HG1       LYS  36  11.543  -2.696   7.512
  287   1HD   LYS  36          HD2       LYS  36  14.305  -2.757   6.406
  288   2HD   LYS  36          HD1       LYS  36  13.929  -1.446   7.526
  289   1HE   LYS  36          HE2       LYS  36  13.405  -2.943   9.291
  290   2HE   LYS  36          HE1       LYS  36  13.225  -4.317   8.182
  291   1HZ   LYS  36          HZ1       LYS  36  15.748  -2.819   8.669
  292   2HZ   LYS  36          HZ2       LYS  36  15.562  -4.144   7.620
  293   3HZ   LYS  36          HZ3       LYS  36  15.386  -4.352   9.297
  294    H    VAL  37           HN       VAL  37  13.300  -0.696   3.218
  295    HA   VAL  37           HA       VAL  37  15.458  -2.200   1.942
  296    HB   VAL  37           HB       VAL  37  14.338  -0.043   1.158
  297   1HG1  VAL  37          HG11      VAL  37  14.517   1.015   3.481
  298   2HG1  VAL  37          HG12      VAL  37  14.986   2.040   2.125
  299   3HG1  VAL  37          HG13      VAL  37  16.224   1.275   3.122
  300   1HG2  VAL  37          HG21      VAL  37  17.356   0.038   1.461
  301   2HG2  VAL  37          HG22      VAL  37  16.408   0.854   0.219
  302   3HG2  VAL  37          HG23      VAL  37  16.495  -0.907   0.246
  Start of MODEL    8
    1   1H    LEU   1          HT1       LEU   1  13.086   7.745   2.139
    2   2H    LEU   1          HT2       LEU   1  11.410   7.540   1.941
    3   3H    LEU   1          HT3       LEU   1  12.272   8.569   0.900
    4    HA   LEU   1           HA       LEU   1  13.535   6.633   0.058
    5   1HB   LEU   1          HB2       LEU   1  11.998   5.514   2.321
    6   2HB   LEU   1          HB1       LEU   1  12.009   4.494   0.883
    7    HG   LEU   1           HG       LEU   1  14.645   5.348   1.072
    8   1HD1  LEU   1          HD11      LEU   1  13.723   4.546   3.843
    9   2HD1  LEU   1          HD12      LEU   1  14.022   6.220   3.374
   10   3HD1  LEU   1          HD13      LEU   1  15.341   5.048   3.353
   11   1HD2  LEU   1          HD21      LEU   1  14.956   2.967   2.033
   12   2HD2  LEU   1          HD22      LEU   1  14.147   3.110   0.472
   13   3HD2  LEU   1          HD23      LEU   1  13.200   2.840   1.934
   14    H    PHE   2           HN       PHE   2  12.269   4.848  -1.382
   15    HA   PHE   2           HA       PHE   2  10.356   6.331  -2.993
   16   1HB   PHE   2          HB2       PHE   2  12.145   4.293  -3.377
   17   2HB   PHE   2          HB1       PHE   2  10.625   3.400  -3.345
   18    HD1  PHE   2           HD1      PHE   2   9.345   3.264  -5.299
   19    HD2  PHE   2           HD2      PHE   2  12.146   6.489  -4.843
   20    HE1  PHE   2           HE1      PHE   2   8.856   4.017  -7.611
   21    HE2  PHE   2           HE2      PHE   2  11.655   7.242  -7.154
   22    HZ   PHE   2           HZ       PHE   2  10.011   6.005  -8.538
   23    H    GLU   3           HN       GLU   3   8.118   5.865  -3.278
   24    HA   GLU   3           HA       GLU   3   6.690   4.952  -0.916
   25   1HB   GLU   3          HB2       GLU   3   6.209   6.549  -3.130
   26   2HB   GLU   3          HB1       GLU   3   5.203   5.135  -3.448
   27   1HG   GLU   3          HG2       GLU   3   4.043   5.377  -1.369
   28   2HG   GLU   3          HG1       GLU   3   5.203   6.569  -0.783
   29    H    CYS   4           HN       CYS   4   5.302   3.079  -0.780
   30    HA   CYS   4           HA       CYS   4   6.306   0.755  -2.325
   31   1HB   CYS   4          HB2       CYS   4   5.455   1.279   0.311
   32   2HB   CYS   4          HB1       CYS   4   4.228   0.215  -0.375
   33    H    SER   5           HN       SER   5   5.070  -0.371  -3.797
   34    HA   SER   5           HA       SER   5   2.350   0.712  -4.422
   35   1HB   SER   5          HB2       SER   5   2.811  -0.148  -6.670
   36   2HB   SER   5          HB1       SER   5   4.160   0.848  -6.133
   37    HG   SER   5           HG       SER   5   5.397  -0.875  -6.038
   38    H    PHE   6           HN       PHE   6   4.102  -2.190  -3.475
   39    HA   PHE   6           HA       PHE   6   1.720  -3.913  -3.947
   40   1HB   PHE   6          HB2       PHE   6   4.174  -4.448  -4.555
   41   2HB   PHE   6          HB1       PHE   6   4.421  -4.690  -2.826
   42    HD1  PHE   6           HD1      PHE   6   2.152  -5.732  -5.627
   43    HD2  PHE   6           HD2      PHE   6   3.954  -6.779  -1.869
   44    HE1  PHE   6           HE1      PHE   6   1.207  -8.017  -5.808
   45    HE2  PHE   6           HE2      PHE   6   3.007  -9.063  -2.052
   46    HZ   PHE   6           HZ       PHE   6   1.634  -9.682  -4.021
   47    H    SER   7           HN       SER   7   2.245  -1.782  -1.627
   48    HA   SER   7           HA       SER   7   1.122  -3.533   0.500
   49   1HB   SER   7          HB2       SER   7   3.791  -2.249   0.420
   50   2HB   SER   7          HB1       SER   7   2.906  -2.035   1.927
   51    HG   SER   7           HG       SER   7   3.096  -4.101   2.327
   52    H    CYS   8           HN       CYS   8  -0.623  -2.496   1.324
   53    HA   CYS   8           HA       CYS   8  -0.684   0.508   1.311
   54   1HB   CYS   8          HB2       CYS   8  -2.098  -0.505  -0.421
   55   2HB   CYS   8          HB1       CYS   8  -2.866  -1.539   0.781
   56    H    GLU   9           HN       GLU   9  -0.516  -2.142   3.331
   57    HA   GLU   9           HA       GLU   9  -2.280  -0.923   5.427
   58   1HB   GLU   9          HB2       GLU   9  -2.716  -3.260   4.637
   59   2HB   GLU   9          HB1       GLU   9  -1.104  -3.713   5.185
   60   1HG   GLU   9          HG2       GLU   9  -1.851  -3.972   7.289
   61   2HG   GLU   9          HG1       GLU   9  -2.472  -2.321   7.302
   62    H    ILE  10           HN       ILE  10   0.813  -2.749   5.188
   63    HA   ILE  10           HA       ILE  10   1.825  -1.192   7.544
   64    HB   ILE  10           HB       ILE  10   2.740  -3.817   6.310
   65   1HG1  ILE  10          HG12      ILE  10   1.275  -3.435   8.930
   66   2HG1  ILE  10          HG11      ILE  10   0.419  -3.744   7.420
   67   1HG2  ILE  10          HG21      ILE  10   3.534  -3.611   9.005
   68   2HG2  ILE  10          HG22      ILE  10   3.905  -2.044   8.287
   69   3HG2  ILE  10          HG23      ILE  10   4.575  -3.516   7.584
   70   1HD1  ILE  10          HD11      ILE  10   0.747  -5.939   7.845
   71   2HD1  ILE  10          HD12      ILE  10   1.931  -5.594   9.105
   72   3HD1  ILE  10          HD13      ILE  10   2.435  -5.656   7.416
   73    H    GLU  11           HN       GLU  11   3.820  -0.102   7.364
   74    HA   GLU  11           HA       GLU  11   4.634   0.918   4.824
   75   1HB   GLU  11          HB2       GLU  11   5.383   1.067   7.629
   76   2HB   GLU  11          HB1       GLU  11   6.817   1.068   6.603
   77   1HG   GLU  11          HG2       GLU  11   6.427   3.261   6.250
   78   2HG   GLU  11          HG1       GLU  11   5.037   2.767   5.283
   79    H    LYS  12           HN       LYS  12   5.891  -1.796   6.771
   80    HA   LYS  12           HA       LYS  12   8.107  -2.358   4.954
   81   1HB   LYS  12          HB2       LYS  12   7.514  -2.911   7.547
   82   2HB   LYS  12          HB1       LYS  12   7.049  -4.438   6.797
   83   1HG   LYS  12          HG2       LYS  12   9.366  -4.644   7.385
   84   2HG   LYS  12          HG1       LYS  12   9.305  -4.433   5.635
   85   1HD   LYS  12          HD2       LYS  12  10.929  -2.868   6.150
   86   2HD   LYS  12          HD1       LYS  12   9.492  -1.857   6.300
   87   1HE   LYS  12          HE2       LYS  12  10.495  -1.392   8.345
   88   2HE   LYS  12          HE1       LYS  12   9.560  -2.826   8.812
   89   1HZ   LYS  12          HZ1       LYS  12  11.879  -3.096   9.433
   90   2HZ   LYS  12          HZ2       LYS  12  12.368  -2.819   7.829
   91   3HZ   LYS  12          HZ3       LYS  12  11.468  -4.207   8.218
   92    H    GLU  13           HN       GLU  13   7.756  -3.223   2.960
   93    HA   GLU  13           HA       GLU  13   5.293  -4.711   2.331
   94   1HB   GLU  13          HB2       GLU  13   6.348  -3.024   0.833
   95   2HB   GLU  13          HB1       GLU  13   7.772  -4.054   0.700
   96   1HG   GLU  13          HG2       GLU  13   5.324  -5.533   0.132
   97   2HG   GLU  13          HG1       GLU  13   5.511  -4.147  -0.942
   98    H    GLY  14           HN       GLY  14   8.767  -5.392   2.723
   99   1HA   GLY  14          HA2       GLY  14   8.946  -7.824   3.731
  100   2HA   GLY  14          HA1       GLY  14   8.277  -8.274   2.161
  101    H    ASP  15           HN       ASP  15   9.628  -6.417   0.525
  102    HA   ASP  15           HA       ASP  15  12.272  -7.685   0.353
  103   1HB   ASP  15          HB2       ASP  15  10.681  -5.673  -1.251
  104   2HB   ASP  15          HB1       ASP  15  12.344  -6.078  -1.675
  105    H    LYS  16           HN       LYS  16  11.020  -4.370   0.880
  106    HA   LYS  16           HA       LYS  16  13.490  -3.683   2.377
  107   1HB   LYS  16          HB2       LYS  16  13.939  -1.770   0.898
  108   2HB   LYS  16          HB1       LYS  16  13.916  -3.257  -0.048
  109   1HG   LYS  16          HG2       LYS  16  11.632  -2.810  -0.780
  110   2HG   LYS  16          HG1       LYS  16  11.548  -1.384   0.255
  111   1HD   LYS  16          HD2       LYS  16  13.442  -0.389  -1.026
  112   2HD   LYS  16          HD1       LYS  16  13.403  -1.781  -2.109
  113   1HE   LYS  16          HE2       LYS  16  10.726  -0.791  -1.894
  114   2HE   LYS  16          HE1       LYS  16  11.792   0.584  -2.243
  115   1HZ   LYS  16          HZ1       LYS  16  11.724  -2.008  -3.701
  116   2HZ   LYS  16          HZ2       LYS  16  12.849  -0.766  -3.985
  117   3HZ   LYS  16          HZ3       LYS  16  11.199  -0.508  -4.297
  118    HA   PRO  17           HA       PRO  17  10.624  -1.198   4.629
  119   1HB   PRO  17          HB2       PRO  17  12.237   0.818   5.540
  120   2HB   PRO  17          HB1       PRO  17  12.301  -0.835   6.182
  121   1HG   PRO  17          HG2       PRO  17  14.107   0.514   4.247
  122   2HG   PRO  17          HG1       PRO  17  14.485  -0.652   5.523
  123   1HD   PRO  17          HD2       PRO  17  14.311  -1.286   2.860
  124   2HD   PRO  17          HD1       PRO  17  14.062  -2.447   4.182
  125    H    CYS  18           HN       CYS  18   9.216  -0.321   3.068
  126    HA   CYS  18           HA       CYS  18  10.081   2.177   1.659
  127   1HB   CYS  18          HB2       CYS  18   8.107   1.579   0.182
  128   2HB   CYS  18          HB1       CYS  18   9.402   0.385   0.191
  129    H    LYS  19           HN       LYS  19   8.170   3.754   1.306
  130    HA   LYS  19           HA       LYS  19   7.025   4.426   3.925
  131   1HB   LYS  19          HB2       LYS  19   7.975   5.830   1.807
  132   2HB   LYS  19          HB1       LYS  19   6.250   5.879   1.447
  133   1HG   LYS  19          HG2       LYS  19   6.001   7.506   2.977
  134   2HG   LYS  19          HG1       LYS  19   6.518   6.378   4.230
  135   1HD   LYS  19          HD2       LYS  19   8.915   6.935   3.572
  136   2HD   LYS  19          HD1       LYS  19   8.251   8.249   2.601
  137   1HE   LYS  19          HE2       LYS  19   8.564   9.410   4.582
  138   2HE   LYS  19          HE1       LYS  19   6.960   8.739   4.932
  139   1HZ   LYS  19          HZ1       LYS  19   9.561   7.460   5.608
  140   2HZ   LYS  19          HZ2       LYS  19   8.026   6.798   5.916
  141   3HZ   LYS  19          HZ3       LYS  19   8.518   8.216   6.711
  142    H    LYS  20           HN       LYS  20   4.635   5.077   4.007
  143    HA   LYS  20           HA       LYS  20   2.986   2.827   3.119
  144   1HB   LYS  20          HB2       LYS  20   1.288   3.921   4.470
  145   2HB   LYS  20          HB1       LYS  20   2.822   4.031   5.326
  146   1HG   LYS  20          HG2       LYS  20   2.272   6.241   5.501
  147   2HG   LYS  20          HG1       LYS  20   2.921   6.325   3.865
  148   1HD   LYS  20          HD2       LYS  20   0.831   7.325   3.586
  149   2HD   LYS  20          HD1       LYS  20   0.477   5.651   3.160
  150   1HE   LYS  20          HE2       LYS  20  -0.527   5.211   5.283
  151   2HE   LYS  20          HE1       LYS  20   0.136   6.700   5.985
  152   1HZ   LYS  20          HZ1       LYS  20  -2.166   7.031   5.331
  153   2HZ   LYS  20          HZ2       LYS  20  -1.812   6.547   3.741
  154   3HZ   LYS  20          HZ3       LYS  20  -1.144   7.980   4.366
  155    H    LYS  21           HN       LYS  21   1.200   2.961   1.669
  156    HA   LYS  21           HA       LYS  21   1.037   5.424  -0.022
  157   1HB   LYS  21          HB2       LYS  21   2.388   3.309  -0.839
  158   2HB   LYS  21          HB1       LYS  21   0.781   2.658  -1.168
  159   1HG   LYS  21          HG2       LYS  21   1.025   5.407  -2.083
  160   2HG   LYS  21          HG1       LYS  21   2.244   4.369  -2.823
  161   1HD   LYS  21          HD2       LYS  21  -0.497   3.240  -2.679
  162   2HD   LYS  21          HD1       LYS  21  -0.285   4.603  -3.779
  163   1HE   LYS  21          HE2       LYS  21   1.941   3.102  -4.363
  164   2HE   LYS  21          HE1       LYS  21   0.743   1.843  -4.005
  165   1HZ   LYS  21          HZ1       LYS  21   0.589   2.544  -6.317
  166   2HZ   LYS  21          HZ2       LYS  21   0.338   4.153  -5.836
  167   3HZ   LYS  21          HZ3       LYS  21  -0.821   2.964  -5.474
  168    H    LYS  22           HN       LYS  22  -1.061   6.053  -0.418
  169    HA   LYS  22           HA       LYS  22  -3.252   4.232   0.508
  170   1HB   LYS  22          HB2       LYS  22  -4.466   6.263   0.965
  171   2HB   LYS  22          HB1       LYS  22  -2.830   6.504   1.575
  172   1HG   LYS  22          HG2       LYS  22  -2.297   7.581  -0.686
  173   2HG   LYS  22          HG1       LYS  22  -4.037   7.590  -0.977
  174   1HD   LYS  22          HD2       LYS  22  -4.389   8.901   1.073
  175   2HD   LYS  22          HD1       LYS  22  -2.656   8.873   1.399
  176   1HE   LYS  22          HE2       LYS  22  -3.476   9.868  -1.292
  177   2HE   LYS  22          HE1       LYS  22  -3.817  10.924   0.092
  178   1HZ   LYS  22          HZ1       LYS  22  -1.589  11.343  -0.653
  179   2HZ   LYS  22          HZ2       LYS  22  -1.202   9.689  -0.603
  180   3HZ   LYS  22          HZ3       LYS  22  -1.505  10.540   0.838
  181    H    CYS  23           HN       CYS  23  -5.346   4.510  -0.764
  182    HA   CYS  23           HA       CYS  23  -4.731   4.517  -3.687
  183   1HB   CYS  23          HB2       CYS  23  -6.947   3.389  -1.952
  184   2HB   CYS  23          HB1       CYS  23  -7.002   3.344  -3.713
  185    H    LYS  24           HN       LYS  24  -7.210   5.034  -4.748
  186    HA   LYS  24           HA       LYS  24  -7.456   7.931  -4.459
  187   1HB   LYS  24          HB2       LYS  24  -7.880   6.033  -6.414
  188   2HB   LYS  24          HB1       LYS  24  -9.528   6.431  -5.932
  189   1HG   LYS  24          HG2       LYS  24  -8.009   8.863  -6.121
  190   2HG   LYS  24          HG1       LYS  24  -7.796   7.939  -7.608
  191   1HD   LYS  24          HD2       LYS  24 -10.526   8.367  -6.386
  192   2HD   LYS  24          HD1       LYS  24  -9.819   9.531  -7.506
  193   1HE   LYS  24          HE2       LYS  24  -9.832   6.636  -8.303
  194   2HE   LYS  24          HE1       LYS  24 -11.341   7.559  -8.429
  195   1HZ   LYS  24          HZ1       LYS  24 -10.095   9.299  -9.615
  196   2HZ   LYS  24          HZ2       LYS  24 -10.077   7.820 -10.451
  197   3HZ   LYS  24          HZ3       LYS  24  -8.707   8.323  -9.582
  198    H    GLY  25           HN       GLY  25  -9.918   8.740  -4.409
  199   1HA   GLY  25          HA2       GLY  25 -10.934   8.245  -1.778
  200   2HA   GLY  25          HA1       GLY  25 -11.790   9.119  -3.047
  201    H    GLY  26           HN       GLY  26 -12.032   7.108  -4.990
  202   1HA   GLY  26          HA2       GLY  26 -14.033   5.348  -3.682
  203   2HA   GLY  26          HA1       GLY  26 -13.891   5.635  -5.415
  204    H    TRP  27           HN       TRP  27 -11.219   4.767  -3.246
  205    HA   TRP  27           HA       TRP  27 -11.094   2.049  -4.492
  206   1HB   TRP  27          HB2       TRP  27  -9.127   4.318  -4.525
  207   2HB   TRP  27          HB1       TRP  27  -8.504   2.671  -4.466
  208    HD1  TRP  27           HD1      TRP  27 -10.706   4.950  -6.644
  209    HE1  TRP  27           HE1      TRP  27 -10.701   4.024  -9.050
  210    HE3  TRP  27           HE3      TRP  27  -8.084   0.626  -5.925
  211    HZ2  TRP  27           HZ2      TRP  27  -9.713   1.755 -10.482
  212    HZ3  TRP  27           HZ3      TRP  27  -7.625  -0.895  -7.826
  213    HH2  TRP  27           HH2      TRP  27  -8.435  -0.337 -10.102
  214    H    LYS  28           HN       LYS  28 -10.747   0.516  -2.911
  215    HA   LYS  28           HA       LYS  28  -9.503   1.404  -0.325
  216   1HB   LYS  28          HB2       LYS  28 -12.057   0.035  -0.978
  217   2HB   LYS  28          HB1       LYS  28 -11.171  -0.626   0.396
  218   1HG   LYS  28          HG2       LYS  28 -11.675   2.340   0.117
  219   2HG   LYS  28          HG1       LYS  28 -12.843   1.271   0.894
  220   1HD   LYS  28          HD2       LYS  28 -10.085   0.865   1.831
  221   2HD   LYS  28          HD1       LYS  28 -10.713   2.478   2.169
  222   1HE   LYS  28          HE2       LYS  28 -12.460   1.661   3.512
  223   2HE   LYS  28          HE1       LYS  28 -12.400   0.049   2.772
  224   1HZ   LYS  28          HZ1       LYS  28 -11.321   0.041   4.940
  225   2HZ   LYS  28          HZ2       LYS  28 -10.262   1.273   4.442
  226   3HZ   LYS  28          HZ3       LYS  28 -10.190  -0.262   3.714
  227    H    CYS  29           HN       CYS  29  -7.726   0.206   0.202
  228    HA   CYS  29           HA       CYS  29  -7.133  -2.247  -1.370
  229   1HB   CYS  29          HB2       CYS  29  -4.861  -1.883  -0.483
  230   2HB   CYS  29          HB1       CYS  29  -5.494  -0.399  -1.191
  231    H    LYS  30           HN       LYS  30  -6.703  -4.260  -0.360
  232    HA   LYS  30           HA       LYS  30  -7.969  -4.614   2.295
  233   1HB   LYS  30          HB2       LYS  30  -6.927  -6.557   0.203
  234   2HB   LYS  30          HB1       LYS  30  -7.844  -7.014   1.639
  235   1HG   LYS  30          HG2       LYS  30  -9.378  -4.992   0.468
  236   2HG   LYS  30          HG1       LYS  30  -8.805  -5.947  -0.899
  237   1HD   LYS  30          HD2       LYS  30  -9.736  -7.961  -0.006
  238   2HD   LYS  30          HD1       LYS  30 -10.039  -7.205   1.559
  239   1HE   LYS  30          HE2       LYS  30 -12.097  -6.594   0.844
  240   2HE   LYS  30          HE1       LYS  30 -11.350  -5.623  -0.440
  241   1HZ   LYS  30          HZ1       LYS  30 -11.824  -8.558  -0.563
  242   2HZ   LYS  30          HZ2       LYS  30 -11.135  -7.606  -1.791
  243   3HZ   LYS  30          HZ3       LYS  30 -12.761  -7.386  -1.353
  244    H    PHE  31           HN       PHE  31  -5.797  -7.119   1.897
  245    HA   PHE  31           HA       PHE  31  -4.189  -6.379   4.154
  246   1HB   PHE  31          HB2       PHE  31  -3.873  -8.448   1.949
  247   2HB   PHE  31          HB1       PHE  31  -2.884  -8.414   3.409
  248    HD1  PHE  31           HD1      PHE  31  -4.163  -8.373   5.689
  249    HD2  PHE  31           HD2      PHE  31  -5.942  -9.577   1.966
  250    HE1  PHE  31           HE1      PHE  31  -5.957  -9.556   6.927
  251    HE2  PHE  31           HE2      PHE  31  -7.733 -10.761   3.206
  252    HZ   PHE  31           HZ       PHE  31  -7.741 -10.750   5.686
  253    H    ASN  32           HN       ASN  32  -3.117  -6.801   0.739
  254    HA   ASN  32           HA       ASN  32  -1.428  -4.366   1.001
  255   1HB   ASN  32          HB2       ASN  32  -0.499  -7.215   0.672
  256   2HB   ASN  32          HB1       ASN  32   0.451  -5.905  -0.025
  257   1HD2  ASN  32          HD21      ASN  32   0.646  -7.777   2.560
  258   2HD2  ASN  32          HD22      ASN  32   1.129  -6.670   3.753
  259    H    MET  33           HN       MET  33  -3.812  -4.891  -0.576
  260    HA   MET  33           HA       MET  33  -2.664  -4.538  -3.316
  261   1HB   MET  33          HB2       MET  33  -4.031  -6.850  -2.281
  262   2HB   MET  33          HB1       MET  33  -5.048  -6.097  -3.508
  263   1HG   MET  33          HG2       MET  33  -2.113  -6.520  -4.028
  264   2HG   MET  33          HG1       MET  33  -3.257  -7.841  -4.264
  265   1HE   MET  33          HE1       MET  33  -3.850  -7.412  -7.809
  266   2HE   MET  33          HE2       MET  33  -4.113  -8.359  -6.347
  267   3HE   MET  33          HE3       MET  33  -2.473  -7.927  -6.824
  268    H    CYS  34           HN       CYS  34  -3.617  -2.763  -4.263
  269    HA   CYS  34           HA       CYS  34  -5.887  -1.425  -2.966
  270   1HB   CYS  34          HB2       CYS  34  -3.839  -0.336  -3.989
  271   2HB   CYS  34          HB1       CYS  34  -4.473  -0.789  -5.572
  272    H    VAL  35           HN       VAL  35  -8.013  -1.604  -3.582
  273    HA   VAL  35           HA       VAL  35  -8.660  -2.686  -6.302
  274    HB   VAL  35           HB       VAL  35  -9.755  -3.587  -3.609
  275   1HG1  VAL  35          HG11      VAL  35 -11.516  -3.595  -5.311
  276   2HG1  VAL  35          HG12      VAL  35 -11.022  -5.251  -4.959
  277   3HG1  VAL  35          HG13      VAL  35 -10.459  -4.458  -6.430
  278   1HG2  VAL  35          HG21      VAL  35  -7.928  -4.856  -5.662
  279   2HG2  VAL  35          HG22      VAL  35  -8.800  -5.817  -4.467
  280   3HG2  VAL  35          HG23      VAL  35  -7.626  -4.610  -3.942
  281    H    LYS  36           HN       LYS  36 -10.504  -1.708  -7.218
  282    HA   LYS  36           HA       LYS  36 -11.447   0.794  -6.165
  283   1HB   LYS  36          HB2       LYS  36 -11.393  -0.257  -8.573
  284   2HB   LYS  36          HB1       LYS  36 -12.976  -0.898  -8.134
  285   1HG   LYS  36          HG2       LYS  36 -13.064   1.774  -7.312
  286   2HG   LYS  36          HG1       LYS  36 -12.226   1.823  -8.863
  287   1HD   LYS  36          HD2       LYS  36 -14.046   0.541  -9.906
  288   2HD   LYS  36          HD1       LYS  36 -14.884   0.451  -8.357
  289   1HE   LYS  36          HE2       LYS  36 -14.127   3.123  -9.562
  290   2HE   LYS  36          HE1       LYS  36 -15.648   2.314  -9.984
  291   1HZ   LYS  36          HZ1       LYS  36 -16.171   2.129  -7.630
  292   2HZ   LYS  36          HZ2       LYS  36 -15.929   3.757  -8.053
  293   3HZ   LYS  36          HZ3       LYS  36 -14.719   2.906  -7.220
  294    H    VAL  37           HN       VAL  37 -13.217   1.259  -4.873
  295    HA   VAL  37           HA       VAL  37 -14.623  -1.020  -3.610
  296    HB   VAL  37           HB       VAL  37 -13.514   1.046  -2.487
  297   1HG1  VAL  37          HG11      VAL  37 -15.032   2.526  -4.109
  298   2HG1  VAL  37          HG12      VAL  37 -14.590   3.083  -2.496
  299   3HG1  VAL  37          HG13      VAL  37 -16.177   2.363  -2.780
  300   1HG2  VAL  37          HG21      VAL  37 -14.711   0.477  -0.642
  301   2HG2  VAL  37          HG22      VAL  37 -15.484  -0.700  -1.702
  302   3HG2  VAL  37          HG23      VAL  37 -16.252   0.860  -1.410
  Start of MODEL    9
    1   1H    LEU   1          HT1       LEU   1 -14.473   6.243  -1.620
    2   2H    LEU   1          HT2       LEU   1 -13.884   7.830  -1.761
    3   3H    LEU   1          HT3       LEU   1 -13.497   6.895  -0.396
    4    HA   LEU   1           HA       LEU   1 -12.241   5.343  -1.810
    5   1HB   LEU   1          HB2       LEU   1 -13.740   6.900  -3.751
    6   2HB   LEU   1          HB1       LEU   1 -12.024   6.904  -4.155
    7    HG   LEU   1           HG       LEU   1 -12.002   4.419  -3.949
    8   1HD1  LEU   1          HD11      LEU   1 -14.315   3.328  -3.984
    9   2HD1  LEU   1          HD12      LEU   1 -14.952   4.885  -3.453
   10   3HD1  LEU   1          HD13      LEU   1 -13.810   4.006  -2.436
   11   1HD2  LEU   1          HD21      LEU   1 -13.547   4.032  -5.980
   12   2HD2  LEU   1          HD22      LEU   1 -12.258   5.221  -6.170
   13   3HD2  LEU   1          HD23      LEU   1 -13.913   5.754  -5.872
   14    H    PHE   2           HN       PHE   2 -10.208   5.760  -1.028
   15    HA   PHE   2           HA       PHE   2  -8.876   8.327  -1.670
   16   1HB   PHE   2          HB2       PHE   2  -8.453   8.830   0.700
   17   2HB   PHE   2          HB1       PHE   2 -10.185   8.727   0.402
   18    HD1  PHE   2           HD1      PHE   2 -11.419   6.590   1.009
   19    HD2  PHE   2           HD2      PHE   2  -7.371   7.355   2.226
   20    HE1  PHE   2           HE1      PHE   2 -11.614   4.842   2.757
   21    HE2  PHE   2           HE2      PHE   2  -7.566   5.606   3.972
   22    HZ   PHE   2           HZ       PHE   2  -9.687   4.349   4.238
   23    H    GLU   3           HN       GLU   3  -6.536   8.266  -0.976
   24    HA   GLU   3           HA       GLU   3  -5.185   5.911  -1.800
   25   1HB   GLU   3          HB2       GLU   3  -4.553   8.502  -1.227
   26   2HB   GLU   3          HB1       GLU   3  -3.836   7.687   0.161
   27   1HG   GLU   3          HG2       GLU   3  -2.129   7.731  -1.504
   28   2HG   GLU   3          HG1       GLU   3  -2.755   6.082  -1.512
   29    H    CYS   4           HN       CYS   4  -4.457   4.088  -0.682
   30    HA   CYS   4           HA       CYS   4  -5.579   3.552   1.969
   31   1HB   CYS   4          HB2       CYS   4  -4.718   2.102  -0.267
   32   2HB   CYS   4          HB1       CYS   4  -3.560   1.687   0.996
   33    H    SER   5           HN       SER   5  -4.366   3.162   3.886
   34    HA   SER   5           HA       SER   5  -1.807   4.661   4.058
   35   1HB   SER   5          HB2       SER   5  -3.698   5.055   5.628
   36   2HB   SER   5          HB1       SER   5  -3.595   3.377   6.154
   37    HG   SER   5           HG       SER   5  -2.018   3.945   7.409
   38    H    PHE   6           HN       PHE   6  -3.113   1.404   4.755
   39    HA   PHE   6           HA       PHE   6  -0.367   0.399   5.313
   40   1HB   PHE   6          HB2       PHE   6  -3.194  -0.584   5.704
   41   2HB   PHE   6          HB1       PHE   6  -1.830  -1.692   5.855
   42    HD1  PHE   6           HD1      PHE   6  -0.240  -1.503   7.677
   43    HD2  PHE   6           HD2      PHE   6  -3.451   1.319   7.254
   44    HE1  PHE   6           HE1      PHE   6   0.199  -0.660   9.966
   45    HE2  PHE   6           HE2      PHE   6  -3.011   2.163   9.544
   46    HZ   PHE   6           HZ       PHE   6  -1.186   1.173  10.900
   47    H    SER   7           HN       SER   7  -3.126  -0.224   3.110
   48    HA   SER   7           HA       SER   7  -1.822  -2.336   1.632
   49   1HB   SER   7          HB2       SER   7  -4.339  -1.305   1.844
   50   2HB   SER   7          HB1       SER   7  -3.849  -0.632   0.292
   51    HG   SER   7           HG       SER   7  -4.613  -3.115   0.870
   52    H    CYS   8           HN       CYS   8   0.031  -1.977   0.473
   53    HA   CYS   8           HA       CYS   8   0.456   0.671  -0.842
   54   1HB   CYS   8          HB2       CYS   8   2.282   0.029   0.520
   55   2HB   CYS   8          HB1       CYS   8   2.180  -1.656   0.015
   56    H    GLU   9           HN       GLU   9   0.344  -2.830  -1.557
   57    HA   GLU   9           HA       GLU   9   0.600  -2.268  -4.474
   58   1HB   GLU   9          HB2       GLU   9   1.934  -4.032  -3.221
   59   2HB   GLU   9          HB1       GLU   9   0.423  -4.909  -2.993
   60   1HG   GLU   9          HG2       GLU   9   1.105  -5.901  -4.956
   61   2HG   GLU   9          HG1       GLU   9   0.255  -4.515  -5.641
   62    H    ILE  10           HN       ILE  10  -1.623  -3.869  -2.162
   63    HA   ILE  10           HA       ILE  10  -3.664  -4.255  -4.265
   64    HB   ILE  10           HB       ILE  10  -3.708  -4.753  -1.264
   65   1HG1  ILE  10          HG12      ILE  10  -3.263  -6.806  -3.443
   66   2HG1  ILE  10          HG11      ILE  10  -1.913  -5.957  -2.688
   67   1HG2  ILE  10          HG21      ILE  10  -5.495  -5.612  -3.551
   68   2HG2  ILE  10          HG22      ILE  10  -5.955  -4.757  -2.079
   69   3HG2  ILE  10          HG23      ILE  10  -5.478  -6.453  -2.001
   70   1HD1  ILE  10          HD11      ILE  10  -3.144  -8.261  -1.716
   71   2HD1  ILE  10          HD12      ILE  10  -3.804  -6.972  -0.709
   72   3HD1  ILE  10          HD13      ILE  10  -2.059  -7.206  -0.812
   73    H    GLU  11           HN       GLU  11  -5.856  -3.331  -4.009
   74    HA   GLU  11           HA       GLU  11  -5.779  -0.585  -2.831
   75   1HB   GLU  11          HB2       GLU  11  -7.314  -2.005  -5.003
   76   2HB   GLU  11          HB1       GLU  11  -7.939  -0.503  -4.322
   77   1HG   GLU  11          HG2       GLU  11  -5.606   0.480  -4.773
   78   2HG   GLU  11          HG1       GLU  11  -5.325  -0.949  -5.769
   79    H    LYS  12           HN       LYS  12  -6.159  -2.902  -1.075
   80    HA   LYS  12           HA       LYS  12  -8.947  -2.336  -0.122
   81   1HB   LYS  12          HB2       LYS  12  -7.519  -4.884  -0.750
   82   2HB   LYS  12          HB1       LYS  12  -8.583  -4.888   0.657
   83   1HG   LYS  12          HG2       LYS  12 -10.224  -3.659  -1.072
   84   2HG   LYS  12          HG1       LYS  12  -9.260  -4.575  -2.232
   85   1HD   LYS  12          HD2       LYS  12  -9.938  -6.634  -1.380
   86   2HD   LYS  12          HD1       LYS  12 -10.319  -5.967   0.207
   87   1HE   LYS  12          HE2       LYS  12 -12.445  -5.391  -0.412
   88   2HE   LYS  12          HE1       LYS  12 -11.928  -4.852  -2.021
   89   1HZ   LYS  12          HZ1       LYS  12 -12.101  -7.687  -1.138
   90   2HZ   LYS  12          HZ2       LYS  12 -11.642  -7.148  -2.683
   91   3HZ   LYS  12          HZ3       LYS  12 -13.232  -6.909  -2.134
   92    H    GLU  13           HN       GLU  13  -8.828  -1.460   1.909
   93    HA   GLU  13           HA       GLU  13  -6.360  -1.707   3.512
   94   1HB   GLU  13          HB2       GLU  13  -8.156   0.273   3.090
   95   2HB   GLU  13          HB1       GLU  13  -8.836  -0.423   4.561
   96   1HG   GLU  13          HG2       GLU  13  -6.095  -0.319   5.073
   97   2HG   GLU  13          HG1       GLU  13  -6.429   1.192   4.224
   98    H    GLY  14           HN       GLY  14  -9.574  -3.125   3.433
   99   1HA   GLY  14          HA2       GLY  14  -9.516  -5.389   4.690
  100   2HA   GLY  14          HA1       GLY  14  -9.095  -4.400   6.090
  101    H    ASP  15           HN       ASP  15 -10.720  -2.293   6.042
  102    HA   ASP  15           HA       ASP  15 -13.451  -3.497   6.204
  103   1HB   ASP  15          HB2       ASP  15 -11.917  -2.101   8.004
  104   2HB   ASP  15          HB1       ASP  15 -12.921  -0.817   7.328
  105    H    LYS  16           HN       LYS  16 -11.580  -0.981   4.592
  106    HA   LYS  16           HA       LYS  16 -14.017  -0.277   3.004
  107   1HB   LYS  16          HB2       LYS  16 -12.421   1.356   4.837
  108   2HB   LYS  16          HB1       LYS  16 -12.541   2.074   3.229
  109   1HG   LYS  16          HG2       LYS  16 -15.117   1.241   3.626
  110   2HG   LYS  16          HG1       LYS  16 -14.638   1.663   5.270
  111   1HD   LYS  16          HD2       LYS  16 -13.779   3.863   4.340
  112   2HD   LYS  16          HD1       LYS  16 -14.567   3.438   2.820
  113   1HE   LYS  16          HE2       LYS  16 -16.692   3.742   3.678
  114   2HE   LYS  16          HE1       LYS  16 -16.214   3.239   5.311
  115   1HZ   LYS  16          HZ1       LYS  16 -16.560   5.636   5.207
  116   2HZ   LYS  16          HZ2       LYS  16 -15.400   5.768   3.972
  117   3HZ   LYS  16          HZ3       LYS  16 -14.935   5.277   5.532
  118    HA   PRO  17           HA       PRO  17 -11.240  -0.727  -0.398
  119   1HB   PRO  17          HB2       PRO  17 -12.574   0.744  -2.278
  120   2HB   PRO  17          HB1       PRO  17 -13.127  -0.852  -1.735
  121   1HG   PRO  17          HG2       PRO  17 -14.109   1.848  -0.981
  122   2HG   PRO  17          HG1       PRO  17 -15.010   0.344  -1.221
  123   1HD   PRO  17          HD2       PRO  17 -14.348   1.372   1.237
  124   2HD   PRO  17          HD1       PRO  17 -14.673  -0.347   0.926
  125    H    CYS  18           HN       CYS  18  -9.520   0.454  -1.371
  126    HA   CYS  18           HA       CYS  18  -9.499   3.420  -1.080
  127   1HB   CYS  18          HB2       CYS  18  -7.214   3.188  -0.001
  128   2HB   CYS  18          HB1       CYS  18  -8.552   2.609   0.991
  129    H    LYS  19           HN       LYS  19  -7.089   4.096  -1.931
  130    HA   LYS  19           HA       LYS  19  -6.879   2.887  -4.646
  131   1HB   LYS  19          HB2       LYS  19  -7.176   5.432  -3.868
  132   2HB   LYS  19          HB1       LYS  19  -5.418   5.347  -3.781
  133   1HG   LYS  19          HG2       LYS  19  -5.318   5.613  -6.010
  134   2HG   LYS  19          HG1       LYS  19  -6.178   4.086  -6.209
  135   1HD   LYS  19          HD2       LYS  19  -7.960   5.210  -6.994
  136   2HD   LYS  19          HD1       LYS  19  -8.105   6.034  -5.441
  137   1HE   LYS  19          HE2       LYS  19  -6.129   7.527  -6.421
  138   2HE   LYS  19          HE1       LYS  19  -6.800   6.981  -7.970
  139   1HZ   LYS  19          HZ1       LYS  19  -8.305   8.256  -5.744
  140   2HZ   LYS  19          HZ2       LYS  19  -9.017   7.617  -7.149
  141   3HZ   LYS  19          HZ3       LYS  19  -7.967   8.949  -7.255
  142    H    LYS  20           HN       LYS  20  -4.505   2.915  -5.515
  143    HA   LYS  20           HA       LYS  20  -2.862   1.267  -3.741
  144   1HB   LYS  20          HB2       LYS  20  -3.044   0.827  -6.138
  145   2HB   LYS  20          HB1       LYS  20  -2.464   2.451  -6.510
  146   1HG   LYS  20          HG2       LYS  20  -0.283   1.970  -5.645
  147   2HG   LYS  20          HG1       LYS  20  -0.834   0.458  -4.923
  148   1HD   LYS  20          HD2       LYS  20   0.179  -0.323  -6.867
  149   2HD   LYS  20          HD1       LYS  20  -1.491  -0.142  -7.406
  150   1HE   LYS  20          HE2       LYS  20  -0.889   2.187  -8.214
  151   2HE   LYS  20          HE1       LYS  20   0.807   1.785  -7.880
  152   1HZ   LYS  20          HZ1       LYS  20  -1.023   0.182  -9.593
  153   2HZ   LYS  20          HZ2       LYS  20   0.617  -0.151  -9.292
  154   3HZ   LYS  20          HZ3       LYS  20   0.175   1.234 -10.172
  155    H    LYS  21           HN       LYS  21  -1.464   2.134  -2.263
  156    HA   LYS  21           HA       LYS  21  -0.706   4.977  -2.386
  157   1HB   LYS  21          HB2       LYS  21  -1.361   3.760  -0.300
  158   2HB   LYS  21          HB1       LYS  21   0.078   2.755  -0.469
  159   1HG   LYS  21          HG2       LYS  21   1.464   4.859  -0.432
  160   2HG   LYS  21          HG1       LYS  21  -0.007   5.757  -0.057
  161   1HD   LYS  21          HD2       LYS  21  -0.111   4.958   2.088
  162   2HD   LYS  21          HD1       LYS  21   0.540   3.381   1.642
  163   1HE   LYS  21          HE2       LYS  21   2.300   4.337   2.901
  164   2HE   LYS  21          HE1       LYS  21   2.774   4.716   1.234
  165   1HZ   LYS  21          HZ1       LYS  21   1.180   6.490   3.015
  166   2HZ   LYS  21          HZ2       LYS  21   1.656   6.846   1.422
  167   3HZ   LYS  21          HZ3       LYS  21   2.823   6.697   2.647
  168    H    LYS  22           HN       LYS  22   1.179   5.701  -3.294
  169    HA   LYS  22           HA       LYS  22   3.163   3.730  -4.284
  170   1HB   LYS  22          HB2       LYS  22   2.773   6.725  -4.611
  171   2HB   LYS  22          HB1       LYS  22   4.060   5.812  -5.400
  172   1HG   LYS  22          HG2       LYS  22   1.426   4.580  -5.762
  173   2HG   LYS  22          HG1       LYS  22   1.509   6.214  -6.422
  174   1HD   LYS  22          HD2       LYS  22   3.905   5.170  -7.253
  175   2HD   LYS  22          HD1       LYS  22   2.858   3.752  -7.326
  176   1HE   LYS  22          HE2       LYS  22   1.390   4.763  -8.882
  177   2HE   LYS  22          HE1       LYS  22   1.980   6.394  -8.509
  178   1HZ   LYS  22          HZ1       LYS  22   3.617   4.221  -9.710
  179   2HZ   LYS  22          HZ2       LYS  22   4.136   5.808  -9.387
  180   3HZ   LYS  22          HZ3       LYS  22   2.952   5.521 -10.572
  181    H    CYS  23           HN       CYS  23   5.106   3.388  -3.257
  182    HA   CYS  23           HA       CYS  23   5.704   4.853  -0.768
  183   1HB   CYS  23          HB2       CYS  23   6.488   2.357  -2.161
  184   2HB   CYS  23          HB1       CYS  23   7.748   3.087  -1.168
  185    H    LYS  24           HN       LYS  24   8.422   4.963  -0.656
  186    HA   LYS  24           HA       LYS  24   9.069   7.260  -2.340
  187   1HB   LYS  24          HB2       LYS  24  10.297   5.682  -0.111
  188   2HB   LYS  24          HB1       LYS  24  11.347   6.743  -1.051
  189   1HG   LYS  24          HG2       LYS  24   9.939   8.661  -0.560
  190   2HG   LYS  24          HG1       LYS  24   8.750   7.632   0.240
  191   1HD   LYS  24          HD2       LYS  24   9.948   8.422   2.072
  192   2HD   LYS  24          HD1       LYS  24  10.811   6.923   1.731
  193   1HE   LYS  24          HE2       LYS  24  12.597   8.428   1.864
  194   2HE   LYS  24          HE1       LYS  24  12.237   8.516   0.128
  195   1HZ   LYS  24          HZ1       LYS  24  11.047  10.282   2.206
  196   2HZ   LYS  24          HZ2       LYS  24  10.779  10.379   0.530
  197   3HZ   LYS  24          HZ3       LYS  24  12.313  10.728   1.170
  198    H    GLY  25           HN       GLY  25  11.308   7.278  -3.449
  199   1HA   GLY  25          HA2       GLY  25  11.356   5.387  -5.580
  200   2HA   GLY  25          HA1       GLY  25  12.664   6.502  -5.192
  201    H    GLY  26           HN       GLY  26  13.283   5.567  -2.577
  202   1HA   GLY  26          HA2       GLY  26  14.604   3.003  -3.293
  203   2HA   GLY  26          HA1       GLY  26  15.066   4.057  -1.957
  204    H    TRP  27           HN       TRP  27  11.858   2.726  -2.810
  205    HA   TRP  27           HA       TRP  27  11.887   1.146  -0.274
  206   1HB   TRP  27          HB2       TRP  27  10.165   3.445  -1.102
  207   2HB   TRP  27          HB1       TRP  27   9.381   2.127  -0.234
  208    HD1  TRP  27           HD1      TRP  27  12.204   4.701   0.159
  209    HE1  TRP  27           HE1      TRP  27  12.666   5.028   2.673
  210    HE3  TRP  27           HE3      TRP  27   9.162   1.084   2.089
  211    HZ2  TRP  27           HZ2      TRP  27  11.852   3.903   5.175
  212    HZ3  TRP  27           HZ3      TRP  27   9.025   0.733   4.537
  213    HH2  TRP  27           HH2      TRP  27  10.364   2.135   6.082
  214    H    LYS  28           HN       LYS  28  11.405  -0.926  -0.892
  215    HA   LYS  28           HA       LYS  28   9.975  -1.476  -3.414
  216   1HB   LYS  28          HB2       LYS  28  11.976  -2.737  -2.647
  217   2HB   LYS  28          HB1       LYS  28  11.074  -3.285  -1.234
  218   1HG   LYS  28          HG2       LYS  28   9.412  -4.362  -2.743
  219   2HG   LYS  28          HG1       LYS  28  10.383  -3.868  -4.131
  220   1HD   LYS  28          HD2       LYS  28  11.396  -5.886  -3.868
  221   2HD   LYS  28          HD1       LYS  28  12.271  -5.086  -2.564
  222   1HE   LYS  28          HE2       LYS  28  11.417  -6.982  -1.468
  223   2HE   LYS  28          HE1       LYS  28  10.153  -5.785  -1.125
  224   1HZ   LYS  28          HZ1       LYS  28   9.316  -7.921  -2.083
  225   2HZ   LYS  28          HZ2       LYS  28  10.140  -7.545  -3.521
  226   3HZ   LYS  28          HZ3       LYS  28   8.883  -6.542  -2.970
  227    H    CYS  29           HN       CYS  29   7.937  -2.541  -3.532
  228    HA   CYS  29           HA       CYS  29   6.291  -2.393  -1.031
  229   1HB   CYS  29          HB2       CYS  29   5.710  -0.951  -2.995
  230   2HB   CYS  29          HB1       CYS  29   5.484  -2.410  -3.960
  231    H    LYS  30           HN       LYS  30   5.327  -4.273  -0.283
  232    HA   LYS  30           HA       LYS  30   5.832  -6.791  -1.823
  233   1HB   LYS  30          HB2       LYS  30   5.136  -6.281   1.094
  234   2HB   LYS  30          HB1       LYS  30   5.556  -7.847   0.401
  235   1HG   LYS  30          HG2       LYS  30   7.603  -6.022  -0.360
  236   2HG   LYS  30          HG1       LYS  30   7.319  -5.797   1.365
  237   1HD   LYS  30          HD2       LYS  30   7.757  -8.498   0.056
  238   2HD   LYS  30          HD1       LYS  30   9.026  -7.569   0.855
  239   1HE   LYS  30          HE2       LYS  30   6.491  -8.089   2.379
  240   2HE   LYS  30          HE1       LYS  30   7.668  -9.406   2.214
  241   1HZ   LYS  30          HZ1       LYS  30   8.208  -8.061   4.136
  242   2HZ   LYS  30          HZ2       LYS  30   8.242  -6.654   3.185
  243   3HZ   LYS  30          HZ3       LYS  30   9.408  -7.870   2.952
  244    H    PHE  31           HN       PHE  31   3.751  -8.168  -0.139
  245    HA   PHE  31           HA       PHE  31   1.515  -8.018  -1.897
  246   1HB   PHE  31          HB2       PHE  31   1.692  -8.905   1.007
  247   2HB   PHE  31          HB1       PHE  31   0.409  -9.353  -0.115
  248    HD1  PHE  31           HD1      PHE  31   1.731  -9.983  -2.595
  249    HD2  PHE  31           HD2      PHE  31   3.043 -10.763   1.421
  250    HE1  PHE  31           HE1      PHE  31   3.120 -11.865  -3.414
  251    HE2  PHE  31           HE2      PHE  31   4.431 -12.646   0.601
  252    HZ   PHE  31           HZ       PHE  31   4.470 -13.197  -1.817
  253    H    ASN  32           HN       ASN  32   1.872  -6.656   1.407
  254    HA   ASN  32           HA       ASN  32   0.092  -4.402   0.649
  255   1HB   ASN  32          HB2       ASN  32  -0.644  -6.732   2.245
  256   2HB   ASN  32          HB1       ASN  32  -0.848  -5.240   3.160
  257   1HD2  ASN  32          HD21      ASN  32  -3.216  -6.430   2.612
  258   2HD2  ASN  32          HD22      ASN  32  -4.025  -5.674   1.325
  259    H    MET  33           HN       MET  33   2.953  -4.662   1.340
  260    HA   MET  33           HA       MET  33   3.019  -2.730   3.608
  261   1HB   MET  33          HB2       MET  33   3.912  -5.523   3.578
  262   2HB   MET  33          HB1       MET  33   5.201  -4.412   4.041
  263   1HG   MET  33          HG2       MET  33   2.494  -4.052   5.275
  264   2HG   MET  33          HG1       MET  33   3.521  -5.361   5.860
  265   1HE   MET  33          HE1       MET  33   2.883  -3.626   8.083
  266   2HE   MET  33          HE2       MET  33   2.306  -2.400   6.956
  267   3HE   MET  33          HE3       MET  33   3.523  -1.978   8.158
  268    H    CYS  34           HN       CYS  34   5.556  -2.085   3.819
  269    HA   CYS  34           HA       CYS  34   6.810  -1.960   1.114
  270   1HB   CYS  34          HB2       CYS  34   5.252   0.077   2.274
  271   2HB   CYS  34          HB1       CYS  34   6.923   0.594   2.503
  272    H    VAL  35           HN       VAL  35   8.996  -2.250   1.270
  273    HA   VAL  35           HA       VAL  35  10.302  -1.848   3.947
  274    HB   VAL  35           HB       VAL  35  10.770  -3.941   1.791
  275   1HG1  VAL  35          HG11      VAL  35  12.858  -3.306   2.948
  276   2HG1  VAL  35          HG12      VAL  35  12.354  -4.934   3.404
  277   3HG1  VAL  35          HG13      VAL  35  12.080  -3.584   4.506
  278   1HG2  VAL  35          HG21      VAL  35  10.088  -5.427   3.827
  279   2HG2  VAL  35          HG22      VAL  35   8.816  -4.591   2.935
  280   3HG2  VAL  35          HG23      VAL  35   9.389  -3.941   4.471
  281    H    LYS  36           HN       LYS  36  12.141  -0.569   3.910
  282    HA   LYS  36           HA       LYS  36  12.869   0.887   1.511
  283   1HB   LYS  36          HB2       LYS  36  12.998   1.636   3.935
  284   2HB   LYS  36          HB1       LYS  36  14.402   0.585   4.110
  285   1HG   LYS  36          HG2       LYS  36  14.912   2.054   1.780
  286   2HG   LYS  36          HG1       LYS  36  14.223   3.227   2.902
  287   1HD   LYS  36          HD2       LYS  36  15.900   1.942   4.584
  288   2HD   LYS  36          HD1       LYS  36  16.780   1.720   3.071
  289   1HE   LYS  36          HE2       LYS  36  17.605   3.795   3.843
  290   2HE   LYS  36          HE1       LYS  36  16.309   4.295   2.739
  291   1HZ   LYS  36          HZ1       LYS  36  14.779   4.395   4.581
  292   2HZ   LYS  36          HZ2       LYS  36  16.130   5.360   4.941
  293   3HZ   LYS  36          HZ3       LYS  36  15.962   3.828   5.657
  294    H    VAL  37           HN       VAL  37  14.359   0.309  -0.023
  295    HA   VAL  37           HA       VAL  37  15.822  -2.233   0.249
  296    HB   VAL  37           HB       VAL  37  14.594  -1.294  -1.807
  297   1HG1  VAL  37          HG11      VAL  37  15.728   0.991  -1.557
  298   2HG1  VAL  37          HG12      VAL  37  15.699   0.309  -3.183
  299   3HG1  VAL  37          HG13      VAL  37  17.174   0.230  -2.220
  300   1HG2  VAL  37          HG21      VAL  37  15.907  -3.218  -2.170
  301   2HG2  VAL  37          HG22      VAL  37  17.414  -2.363  -1.841
  302   3HG2  VAL  37          HG23      VAL  37  16.541  -2.065  -3.344
  Start of MODEL   10
    1   1H    LEU   1          HT1       LEU   1 -12.152   7.518  -5.017
    2   2H    LEU   1          HT2       LEU   1 -13.179   6.384  -5.757
    3   3H    LEU   1          HT3       LEU   1 -12.151   7.351  -6.705
    4    HA   LEU   1           HA       LEU   1 -11.291   5.246  -4.781
    5   1HB   LEU   1          HB2       LEU   1 -12.324   5.130  -7.385
    6   2HB   LEU   1          HB1       LEU   1 -10.580   5.014  -7.604
    7    HG   LEU   1           HG       LEU   1 -11.256   3.378  -5.372
    8   1HD1  LEU   1          HD11      LEU   1 -13.039   3.016  -7.794
    9   2HD1  LEU   1          HD12      LEU   1 -13.542   3.263  -6.122
   10   3HD1  LEU   1          HD13      LEU   1 -12.766   1.752  -6.595
   11   1HD2  LEU   1          HD21      LEU   1 -10.221   1.663  -6.703
   12   2HD2  LEU   1          HD22      LEU   1  -9.399   3.171  -7.101
   13   3HD2  LEU   1          HD23      LEU   1 -10.607   2.509  -8.201
   14    H    PHE   2           HN       PHE   2  -9.768   6.705  -3.776
   15    HA   PHE   2           HA       PHE   2  -7.754   8.062  -5.475
   16   1HB   PHE   2          HB2       PHE   2  -8.183   7.872  -2.470
   17   2HB   PHE   2          HB1       PHE   2  -7.021   8.940  -3.258
   18    HD1  PHE   2           HD1      PHE   2  -7.979  10.535  -5.109
   19    HD2  PHE   2           HD2      PHE   2 -10.370   8.632  -2.089
   20    HE1  PHE   2           HE1      PHE   2  -9.766  12.217  -5.463
   21    HE2  PHE   2           HE2      PHE   2 -12.156  10.316  -2.443
   22    HZ   PHE   2           HZ       PHE   2 -11.854  12.108  -4.130
   23    H    GLU   3           HN       GLU   3  -5.781   7.514  -3.106
   24    HA   GLU   3           HA       GLU   3  -4.866   4.851  -4.131
   25   1HB   GLU   3          HB2       GLU   3  -3.655   7.415  -3.935
   26   2HB   GLU   3          HB1       GLU   3  -2.829   6.366  -2.781
   27   1HG   GLU   3          HG2       GLU   3  -1.625   5.831  -4.672
   28   2HG   GLU   3          HG1       GLU   3  -2.930   4.657  -4.838
   29    H    CYS   4           HN       CYS   4  -3.898   3.394  -2.575
   30    HA   CYS   4           HA       CYS   4  -5.207   3.447   0.049
   31   1HB   CYS   4          HB2       CYS   4  -3.237   1.575  -1.302
   32   2HB   CYS   4          HB1       CYS   4  -4.016   1.240   0.242
   33    H    SER   5           HN       SER   5  -4.222   3.860   2.017
   34    HA   SER   5           HA       SER   5  -1.425   4.923   1.922
   35   1HB   SER   5          HB2       SER   5  -2.129   6.221   3.865
   36   2HB   SER   5          HB1       SER   5  -3.337   6.397   2.595
   37    HG   SER   5           HG       SER   5  -4.718   5.197   3.726
   38    H    PHE   6           HN       PHE   6  -3.501   2.538   3.511
   39    HA   PHE   6           HA       PHE   6  -1.255   1.761   5.322
   40   1HB   PHE   6          HB2       PHE   6  -3.972   2.166   5.700
   41   2HB   PHE   6          HB1       PHE   6  -3.852   0.408   5.596
   42    HD1  PHE   6           HD1      PHE   6  -3.215   3.335   7.627
   43    HD2  PHE   6           HD2      PHE   6  -2.180  -0.799   7.080
   44    HE1  PHE   6           HE1      PHE   6  -2.301   3.258   9.930
   45    HE2  PHE   6           HE2      PHE   6  -1.266  -0.875   9.384
   46    HZ   PHE   6           HZ       PHE   6  -1.326   1.154  10.809
   47    H    SER   7           HN       SER   7  -3.323   0.520   2.712
   48    HA   SER   7           HA       SER   7  -1.961  -2.130   2.885
   49   1HB   SER   7          HB2       SER   7  -3.815  -2.762   1.294
   50   2HB   SER   7          HB1       SER   7  -4.380  -2.162   2.848
   51    HG   SER   7           HG       SER   7  -5.031  -1.260   0.498
   52    H    CYS   8           HN       CYS   8  -0.118  -2.240   1.667
   53    HA   CYS   8           HA       CYS   8   0.038  -0.711  -0.894
   54   1HB   CYS   8          HB2       CYS   8   2.446  -1.126  -0.685
   55   2HB   CYS   8          HB1       CYS   8   1.828  -0.483   0.833
   56    H    GLU   9           HN       GLU   9  -0.069  -3.990   0.408
   57    HA   GLU   9           HA       GLU   9   0.697  -5.296  -2.100
   58   1HB   GLU   9          HB2       GLU   9   0.965  -6.120   0.323
   59   2HB   GLU   9          HB1       GLU   9  -0.765  -6.459   0.287
   60   1HG   GLU   9          HG2       GLU   9   0.211  -8.510  -0.354
   61   2HG   GLU   9          HG1       GLU   9  -0.250  -7.776  -1.891
   62    H    ILE  10           HN       ILE  10  -2.356  -4.855  -0.272
   63    HA   ILE  10           HA       ILE  10  -3.890  -5.682  -2.709
   64    HB   ILE  10           HB       ILE  10  -4.697  -5.413   0.212
   65   1HG1  ILE  10          HG12      ILE  10  -4.331  -7.993  -1.319
   66   2HG1  ILE  10          HG11      ILE  10  -2.973  -7.233  -0.490
   67   1HG2  ILE  10          HG21      ILE  10  -6.547  -7.038  -0.773
   68   2HG2  ILE  10          HG22      ILE  10  -6.138  -6.234  -2.287
   69   3HG2  ILE  10          HG23      ILE  10  -6.723  -5.289  -0.919
   70   1HD1  ILE  10          HD11      ILE  10  -3.685  -8.350   1.348
   71   2HD1  ILE  10          HD12      ILE  10  -5.259  -8.693   0.630
   72   3HD1  ILE  10          HD13      ILE  10  -4.969  -7.143   1.422
   73    H    GLU  11           HN       GLU  11  -5.752  -4.362  -3.310
   74    HA   GLU  11           HA       GLU  11  -5.331  -1.464  -2.822
   75   1HB   GLU  11          HB2       GLU  11  -6.583  -3.243  -4.843
   76   2HB   GLU  11          HB1       GLU  11  -7.387  -1.690  -4.603
   77   1HG   GLU  11          HG2       GLU  11  -5.733  -0.574  -5.654
   78   2HG   GLU  11          HG1       GLU  11  -4.489  -1.390  -4.707
   79    H    LYS  12           HN       LYS  12  -6.418  -3.066  -0.614
   80    HA   LYS  12           HA       LYS  12  -9.017  -1.646  -0.271
   81   1HB   LYS  12          HB2       LYS  12  -8.591  -4.465  -0.740
   82   2HB   LYS  12          HB1       LYS  12  -9.261  -4.235   0.876
   83   1HG   LYS  12          HG2       LYS  12 -10.531  -2.578  -1.210
   84   2HG   LYS  12          HG1       LYS  12 -10.754  -4.314  -1.424
   85   1HD   LYS  12          HD2       LYS  12 -12.563  -3.704  -0.044
   86   2HD   LYS  12          HD1       LYS  12 -11.374  -4.333   1.097
   87   1HE   LYS  12          HE2       LYS  12 -11.173  -2.317   2.127
   88   2HE   LYS  12          HE1       LYS  12 -11.006  -1.467   0.579
   89   1HZ   LYS  12          HZ1       LYS  12 -13.081  -0.885   1.733
   90   2HZ   LYS  12          HZ2       LYS  12 -13.566  -2.511   1.678
   91   3HZ   LYS  12          HZ3       LYS  12 -13.374  -1.629   0.239
   92    H    GLU  13           HN       GLU  13  -8.975  -0.620   1.694
   93    HA   GLU  13           HA       GLU  13  -6.914  -1.431   3.687
   94   1HB   GLU  13          HB2       GLU  13  -7.491   0.952   2.642
   95   2HB   GLU  13          HB1       GLU  13  -8.683   0.976   3.942
   96   1HG   GLU  13          HG2       GLU  13  -6.484   0.081   5.289
   97   2HG   GLU  13          HG1       GLU  13  -5.730   1.125   4.083
   98    H    GLY  14           HN       GLY  14  -9.273  -3.117   3.430
   99   1HA   GLY  14          HA2       GLY  14 -10.578  -4.279   5.027
  100   2HA   GLY  14          HA1       GLY  14 -10.191  -3.032   6.213
  101    H    ASP  15           HN       ASP  15 -11.218  -0.804   5.627
  102    HA   ASP  15           HA       ASP  15 -14.038  -1.274   4.706
  103   1HB   ASP  15          HB2       ASP  15 -14.641   0.408   6.402
  104   2HB   ASP  15          HB1       ASP  15 -13.711  -0.896   7.141
  105    H    LYS  16           HN       LYS  16 -11.275   0.059   3.568
  106    HA   LYS  16           HA       LYS  16 -12.753   2.253   2.183
  107   1HB   LYS  16          HB2       LYS  16 -10.461   2.377   4.039
  108   2HB   LYS  16          HB1       LYS  16 -10.244   3.301   2.552
  109   1HG   LYS  16          HG2       LYS  16 -12.740   4.067   3.092
  110   2HG   LYS  16          HG1       LYS  16 -12.249   3.670   4.739
  111   1HD   LYS  16          HD2       LYS  16 -10.870   5.463   4.881
  112   2HD   LYS  16          HD1       LYS  16 -10.234   5.212   3.255
  113   1HE   LYS  16          HE2       LYS  16 -11.400   7.242   3.009
  114   2HE   LYS  16          HE1       LYS  16 -12.629   6.063   2.511
  115   1HZ   LYS  16          HZ1       LYS  16 -12.269   7.099   5.275
  116   2HZ   LYS  16          HZ2       LYS  16 -13.457   5.994   4.770
  117   3HZ   LYS  16          HZ3       LYS  16 -13.485   7.595   4.202
  118    HA   PRO  17           HA       PRO  17 -10.620  -0.160  -0.991
  119   1HB   PRO  17          HB2       PRO  17 -12.306   0.583  -3.017
  120   2HB   PRO  17          HB1       PRO  17 -12.684  -0.718  -1.871
  121   1HG   PRO  17          HG2       PRO  17 -13.683   2.073  -1.961
  122   2HG   PRO  17          HG1       PRO  17 -14.511   0.588  -1.469
  123   1HD   PRO  17          HD2       PRO  17 -13.485   2.461   0.272
  124   2HD   PRO  17          HD1       PRO  17 -13.800   0.763   0.683
  125    H    CYS  18           HN       CYS  18  -8.993   0.572  -2.357
  126    HA   CYS  18           HA       CYS  18  -9.096   3.254  -3.572
  127   1HB   CYS  18          HB2       CYS  18  -6.851   3.768  -2.339
  128   2HB   CYS  18          HB1       CYS  18  -8.360   3.966  -1.453
  129    H    LYS  19           HN       LYS  19  -6.814   3.664  -4.661
  130    HA   LYS  19           HA       LYS  19  -6.199   1.298  -6.284
  131   1HB   LYS  19          HB2       LYS  19  -5.416   4.205  -6.209
  132   2HB   LYS  19          HB1       LYS  19  -4.551   3.084  -7.260
  133   1HG   LYS  19          HG2       LYS  19  -7.543   3.059  -7.296
  134   2HG   LYS  19          HG1       LYS  19  -6.700   4.359  -8.137
  135   1HD   LYS  19          HD2       LYS  19  -5.860   1.502  -8.565
  136   2HD   LYS  19          HD1       LYS  19  -7.250   2.152  -9.435
  137   1HE   LYS  19          HE2       LYS  19  -4.817   3.867  -9.435
  138   2HE   LYS  19          HE1       LYS  19  -4.721   2.371 -10.383
  139   1HZ   LYS  19          HZ1       LYS  19  -6.821   2.929 -11.434
  140   2HZ   LYS  19          HZ2       LYS  19  -5.698   4.179 -11.681
  141   3HZ   LYS  19          HZ3       LYS  19  -6.930   4.358 -10.526
  142    H    LYS  20           HN       LYS  20  -3.850   0.713  -6.672
  143    HA   LYS  20           HA       LYS  20  -2.514   0.221  -4.102
  144   1HB   LYS  20          HB2       LYS  20  -2.723  -1.005  -6.607
  145   2HB   LYS  20          HB1       LYS  20  -1.044  -0.469  -6.529
  146   1HG   LYS  20          HG2       LYS  20  -1.266  -1.475  -4.047
  147   2HG   LYS  20          HG1       LYS  20  -2.475  -2.475  -4.851
  148   1HD   LYS  20          HD2       LYS  20   0.286  -2.093  -6.013
  149   2HD   LYS  20          HD1       LYS  20  -0.052  -3.355  -4.830
  150   1HE   LYS  20          HE2       LYS  20  -1.897  -3.136  -7.183
  151   2HE   LYS  20          HE1       LYS  20  -0.294  -3.850  -7.440
  152   1HZ   LYS  20          HZ1       LYS  20  -1.903  -5.525  -6.720
  153   2HZ   LYS  20          HZ2       LYS  20  -2.206  -4.641  -5.302
  154   3HZ   LYS  20          HZ3       LYS  20  -0.674  -5.325  -5.570
  155    H    LYS  21           HN       LYS  21  -0.936   1.501  -3.251
  156    HA   LYS  21           HA       LYS  21   0.327   3.569  -5.012
  157   1HB   LYS  21          HB2       LYS  21  -1.032   4.326  -3.083
  158   2HB   LYS  21          HB1       LYS  21  -0.010   3.385  -1.997
  159   1HG   LYS  21          HG2       LYS  21   1.957   4.721  -2.725
  160   2HG   LYS  21          HG1       LYS  21   0.896   5.697  -3.742
  161   1HD   LYS  21          HD2       LYS  21  -0.433   6.272  -1.685
  162   2HD   LYS  21          HD1       LYS  21   0.787   5.438  -0.724
  163   1HE   LYS  21          HE2       LYS  21   2.266   7.154  -2.387
  164   2HE   LYS  21          HE1       LYS  21   0.880   8.122  -1.848
  165   1HZ   LYS  21          HZ1       LYS  21   2.673   8.179  -0.214
  166   2HZ   LYS  21          HZ2       LYS  21   2.636   6.485  -0.090
  167   3HZ   LYS  21          HZ3       LYS  21   1.304   7.407   0.423
  168    H    LYS  22           HN       LYS  22   2.300   2.811  -5.719
  169    HA   LYS  22           HA       LYS  22   3.870   0.811  -4.351
  170   1HB   LYS  22          HB2       LYS  22   3.752   1.850  -6.853
  171   2HB   LYS  22          HB1       LYS  22   5.151   2.731  -6.237
  172   1HG   LYS  22          HG2       LYS  22   5.805   0.278  -5.363
  173   2HG   LYS  22          HG1       LYS  22   4.822  -0.189  -6.750
  174   1HD   LYS  22          HD2       LYS  22   6.615   0.204  -8.056
  175   2HD   LYS  22          HD1       LYS  22   6.438   1.918  -7.677
  176   1HE   LYS  22          HE2       LYS  22   7.729   1.163  -5.442
  177   2HE   LYS  22          HE1       LYS  22   8.350  -0.081  -6.544
  178   1HZ   LYS  22          HZ1       LYS  22   8.329   2.846  -7.078
  179   2HZ   LYS  22          HZ2       LYS  22   8.914   1.650  -8.134
  180   3HZ   LYS  22          HZ3       LYS  22   9.695   1.936  -6.653
  181    H    CYS  23           HN       CYS  23   5.365   1.082  -2.719
  182    HA   CYS  23           HA       CYS  23   5.673   3.621  -1.369
  183   1HB   CYS  23          HB2       CYS  23   6.129   0.893  -0.891
  184   2HB   CYS  23          HB1       CYS  23   7.729   1.628  -0.811
  185    H    LYS  24           HN       LYS  24   8.061   4.359  -0.854
  186    HA   LYS  24           HA       LYS  24   9.239   5.389  -3.257
  187   1HB   LYS  24          HB2       LYS  24  10.152   5.112  -0.382
  188   2HB   LYS  24          HB1       LYS  24  11.097   5.977  -1.594
  189   1HG   LYS  24          HG2       LYS  24   9.683   7.754  -1.607
  190   2HG   LYS  24          HG1       LYS  24   8.248   6.730  -1.533
  191   1HD   LYS  24          HD2       LYS  24   9.388   6.342   0.955
  192   2HD   LYS  24          HD1       LYS  24   9.717   8.045   0.644
  193   1HE   LYS  24          HE2       LYS  24   7.586   8.401   1.379
  194   2HE   LYS  24          HE1       LYS  24   7.080   7.760  -0.196
  195   1HZ   LYS  24          HZ1       LYS  24   6.089   6.506   1.639
  196   2HZ   LYS  24          HZ2       LYS  24   7.637   6.124   2.226
  197   3HZ   LYS  24          HZ3       LYS  24   7.126   5.532   0.717
  198    H    GLY  25           HN       GLY  25  11.678   4.995  -3.735
  199   1HA   GLY  25          HA2       GLY  25  12.064   2.265  -4.505
  200   2HA   GLY  25          HA1       GLY  25  13.309   3.512  -4.540
  201    H    GLY  26           HN       GLY  26  13.205   4.138  -1.706
  202   1HA   GLY  26          HA2       GLY  26  14.896   1.978  -0.697
  203   2HA   GLY  26          HA1       GLY  26  14.485   3.462   0.161
  204    H    TRP  27           HN       TRP  27  11.523   2.738  -0.544
  205    HA   TRP  27           HA       TRP  27  11.113   1.066   1.884
  206   1HB   TRP  27          HB2       TRP  27   9.441   2.966   0.236
  207   2HB   TRP  27          HB1       TRP  27   8.723   1.945   1.482
  208    HD1  TRP  27           HD1      TRP  27  11.442   4.652   1.084
  209    HE1  TRP  27           HE1      TRP  27  11.691   5.879   3.337
  210    HE3  TRP  27           HE3      TRP  27   8.268   1.870   3.957
  211    HZ2  TRP  27           HZ2      TRP  27  10.678   5.702   6.005
  212    HZ3  TRP  27           HZ3      TRP  27   7.930   2.419   6.349
  213    HH2  TRP  27           HH2      TRP  27   9.130   4.330   7.376
  214    H    LYS  28           HN       LYS  28  10.046  -0.906   1.790
  215    HA   LYS  28           HA       LYS  28   9.275  -1.918  -0.930
  216   1HB   LYS  28          HB2       LYS  28  11.361  -2.878   0.020
  217   2HB   LYS  28          HB1       LYS  28  10.464  -3.385   1.453
  218   1HG   LYS  28          HG2       LYS  28  10.570  -5.310   0.043
  219   2HG   LYS  28          HG1       LYS  28   8.932  -4.680  -0.132
  220   1HD   LYS  28          HD2       LYS  28   9.576  -3.528  -2.205
  221   2HD   LYS  28          HD1       LYS  28  11.232  -4.111  -2.026
  222   1HE   LYS  28          HE2       LYS  28  10.433  -6.449  -2.182
  223   2HE   LYS  28          HE1       LYS  28   8.770  -5.862  -2.375
  224   1HZ   LYS  28          HZ1       LYS  28   9.467  -4.595  -4.307
  225   2HZ   LYS  28          HZ2       LYS  28   9.827  -6.240  -4.529
  226   3HZ   LYS  28          HZ3       LYS  28  11.062  -5.145  -4.129
  227    H    CYS  29           HN       CYS  29   7.245  -2.843  -1.082
  228    HA   CYS  29           HA       CYS  29   5.368  -2.520   1.124
  229   1HB   CYS  29          HB2       CYS  29   4.638  -2.179  -1.147
  230   2HB   CYS  29          HB1       CYS  29   5.258  -3.752  -1.646
  231    H    LYS  30           HN       LYS  30   4.877  -4.031   2.656
  232    HA   LYS  30           HA       LYS  30   5.973  -6.799   2.339
  233   1HB   LYS  30          HB2       LYS  30   6.144  -4.842   4.334
  234   2HB   LYS  30          HB1       LYS  30   4.974  -5.997   4.971
  235   1HG   LYS  30          HG2       LYS  30   7.164  -6.733   5.665
  236   2HG   LYS  30          HG1       LYS  30   6.612  -7.836   4.404
  237   1HD   LYS  30          HD2       LYS  30   7.958  -5.594   3.189
  238   2HD   LYS  30          HD1       LYS  30   8.997  -6.302   4.426
  239   1HE   LYS  30          HE2       LYS  30   9.256  -8.270   3.267
  240   2HE   LYS  30          HE1       LYS  30   7.596  -8.236   2.641
  241   1HZ   LYS  30          HZ1       LYS  30   8.211  -6.422   1.174
  242   2HZ   LYS  30          HZ2       LYS  30   9.220  -7.759   0.892
  243   3HZ   LYS  30          HZ3       LYS  30   9.797  -6.430   1.777
  244    H    PHE  31           HN       PHE  31   4.175  -7.701   4.559
  245    HA   PHE  31           HA       PHE  31   2.056  -8.883   3.150
  246   1HB   PHE  31          HB2       PHE  31   2.358  -8.015   6.038
  247   2HB   PHE  31          HB1       PHE  31   1.024  -9.023   5.485
  248    HD1  PHE  31           HD1      PHE  31   4.548  -8.917   6.369
  249    HD2  PHE  31           HD2      PHE  31   1.508 -11.267   4.447
  250    HE1  PHE  31           HE1      PHE  31   5.995 -10.924   6.535
  251    HE2  PHE  31           HE2      PHE  31   2.956 -13.273   4.612
  252    HZ   PHE  31           HZ       PHE  31   5.199 -13.102   5.657
  253    H    ASN  32           HN       ASN  32   1.758  -6.016   5.289
  254    HA   ASN  32           HA       ASN  32  -0.170  -4.775   3.420
  255   1HB   ASN  32          HB2       ASN  32  -1.168  -6.530   5.189
  256   2HB   ASN  32          HB1       ASN  32  -1.094  -5.120   6.247
  257   1HD2  ASN  32          HD21      ASN  32  -2.289  -6.080   2.979
  258   2HD2  ASN  32          HD22      ASN  32  -3.618  -5.024   2.994
  259    H    MET  33           HN       MET  33   2.451  -4.029   4.353
  260    HA   MET  33           HA       MET  33   1.853  -1.352   5.423
  261   1HB   MET  33          HB2       MET  33   2.312  -3.434   7.187
  262   2HB   MET  33          HB1       MET  33   3.918  -2.725   7.014
  263   1HG   MET  33          HG2       MET  33   2.966  -0.490   7.527
  264   2HG   MET  33          HG1       MET  33   1.382  -1.232   7.756
  265   1HE   MET  33          HE1       MET  33   0.824  -0.717  10.124
  266   2HE   MET  33          HE2       MET  33   2.133   0.448   9.946
  267   3HE   MET  33          HE3       MET  33   2.038  -0.542  11.399
  268    H    CYS  34           HN       CYS  34   3.668   0.086   5.122
  269    HA   CYS  34           HA       CYS  34   5.620  -0.853   3.096
  270   1HB   CYS  34          HB2       CYS  34   4.305   1.628   3.923
  271   2HB   CYS  34          HB1       CYS  34   6.034   1.854   3.653
  272    H    VAL  35           HN       VAL  35   7.609  -1.559   3.775
  273    HA   VAL  35           HA       VAL  35   8.724  -0.409   6.318
  274    HB   VAL  35           HB       VAL  35   9.106  -3.166   5.092
  275   1HG1  VAL  35          HG11      VAL  35  10.240  -3.725   7.155
  276   2HG1  VAL  35          HG12      VAL  35   9.861  -2.148   7.847
  277   3HG1  VAL  35          HG13      VAL  35  10.997  -2.271   6.503
  278   1HG2  VAL  35          HG21      VAL  35   6.871  -3.119   5.886
  279   2HG2  VAL  35          HG22      VAL  35   7.296  -2.117   7.274
  280   3HG2  VAL  35          HG23      VAL  35   7.788  -3.810   7.226
  281    H    LYS  36           HN       LYS  36  10.649   0.664   6.042
  282    HA   LYS  36           HA       LYS  36  11.876   1.053   3.487
  283   1HB   LYS  36          HB2       LYS  36  11.984   2.171   5.995
  284   2HB   LYS  36          HB1       LYS  36  13.560   1.388   5.892
  285   1HG   LYS  36          HG2       LYS  36  12.683   2.912   3.490
  286   2HG   LYS  36          HG1       LYS  36  13.103   3.862   4.916
  287   1HD   LYS  36          HD2       LYS  36  15.282   2.738   5.050
  288   2HD   LYS  36          HD1       LYS  36  14.869   1.742   3.656
  289   1HE   LYS  36          HE2       LYS  36  15.742   3.366   2.336
  290   2HE   LYS  36          HE1       LYS  36  14.416   4.426   2.854
  291   1HZ   LYS  36          HZ1       LYS  36  15.700   4.968   4.850
  292   2HZ   LYS  36          HZ2       LYS  36  16.544   5.403   3.441
  293   3HZ   LYS  36          HZ3       LYS  36  16.983   4.003   4.298
  294    H    VAL  37           HN       VAL  37  13.034  -0.459   2.355
  295    HA   VAL  37           HA       VAL  37  14.226  -2.781   3.744
  296    HB   VAL  37           HB       VAL  37  12.874  -2.821   1.576
  297   1HG1  VAL  37          HG11      VAL  37  15.344  -2.185   0.053
  298   2HG1  VAL  37          HG12      VAL  37  14.497  -0.809   0.756
  299   3HG1  VAL  37          HG13      VAL  37  13.655  -1.882  -0.359
  300   1HG2  VAL  37          HG21      VAL  37  13.866  -4.811   1.166
  301   2HG2  VAL  37          HG22      VAL  37  15.009  -4.383   2.438
  302   3HG2  VAL  37          HG23      VAL  37  15.401  -4.047   0.752