*HEADER    TOXIN                                   20-JAN-12   2LO9              
*TITLE     NMR SOLUTION STRUCTURE OF MU-CONTOXIN BUIIIB                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MU-CONOTOXIN BUIIIB;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CONOTOXIN BU16;                                             
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS BULLATUS;                                 
*SOURCE   4 ORGANISM_COMMON: BUBBLE CONE;                                        
*SOURCE   5 ORGANISM_TAXID: 89438                                                
*KEYWDS    TOXIN                                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Z.KUANG                                                               
*REVDAT   1   23-JAN-13 2LO9    0                                                


assign (resid    1 and name HA   ) (resid    1 and name HB   )   3.47   3.47   0.00
assign (resid    1 and name HA   ) (resid    1 and name HG*  )   3.40   3.40   0.00
assign (resid    1 and name HA   ) (resid    2 and name HN   )   4.36   4.36   0.00
assign (resid    1 and name HA   ) (resid    3 and name HN   )   4.44   4.44   0.00
assign (resid    1 and name HG*  ) (resid    1 and name HB   )   3.34   3.34   0.00
assign (resid    1 and name HB   ) (resid    2 and name HN   )   5.50   5.50   0.00
assign (resid    1 and name HB   ) (resid   16 and name HH2  )   5.50   5.50   0.00
assign (resid    1 and name HG*  ) (resid    2 and name HN   )   5.50   5.50   0.00
assign (resid    1 and name HG*  ) (resid    2 and name HA1  )   4.81   4.81   0.00
assign (resid    1 and name HG*  ) (resid    2 and name HA2  )   5.37   5.37   0.00
assign (resid    1 and name HG*  ) (resid    3 and name HN   )   5.50   5.50   0.00
assign (resid    1 and name HG*  ) (resid   16 and name HD1  )   5.07   5.07   0.00
assign (resid    1 and name HG*  ) (resid   16 and name HE1  )   4.81   4.81   0.00
assign (resid    1 and name HG*  ) (resid   16 and name HZ3  )   5.50   5.50   0.00
assign (resid    1 and name HG*  ) (resid   16 and name HZ2  )   4.50   4.50   0.00
assign (resid    1 and name HG*  ) (resid   16 and name HH2  )   4.50   4.50   0.00
assign (resid    2 and name HN   ) (resid    2 and name HA1  )   4.84   4.84   0.00
assign (resid    2 and name HN   ) (resid    2 and name HA2  )   5.50   5.50   0.00
assign (resid    2 and name HN   ) (resid    3 and name HN   )   4.41   4.41   0.00
assign (resid    2 and name HA1  ) (resid    2 and name HA2  )   2.70   2.70   0.00
assign (resid    2 and name HA1  ) (resid    3 and name HN   )   3.51   3.51   0.00
assign (resid    2 and name HA1  ) (resid    4 and name HN   )   4.96   4.96   0.00
assign (resid    2 and name HA1  ) (resid   16 and name HE3  )   5.16   5.16   0.00
assign (resid    2 and name HA1  ) (resid   16 and name HZ3  )   3.91   3.91   0.00
assign (resid    2 and name HA1  ) (resid   16 and name HZ2  )   5.23   5.23   0.00
assign (resid    2 and name HA1  ) (resid   16 and name HH2  )   4.42   4.42   0.00
assign (resid    2 and name HA2  ) (resid    3 and name HN   )   3.59   3.59   0.00
assign (resid    2 and name HA2  ) (resid    3 and name HB*  )   5.46   5.46   0.00
assign (resid    2 and name HA2  ) (resid    4 and name HN   )   5.07   5.07   0.00
assign (resid    2 and name HA2  ) (resid   16 and name HZ3  )   4.01   4.01   0.00
assign (resid    2 and name HA2  ) (resid   16 and name HZ2  )   5.07   5.07   0.00
assign (resid    2 and name HA2  ) (resid   16 and name HH2  )   4.60   4.60   0.00
assign (resid    3 and name HN   ) (resid    3 and name HA   )   3.32   3.32   0.00
assign (resid    3 and name HN   ) (resid    3 and name HB*  )   3.14   3.14   0.00
assign (resid    3 and name HN   ) (resid    3 and name HG2  )   3.94   3.94   0.00
assign (resid    3 and name HN   ) (resid    3 and name HG1  )   3.97   3.97   0.00
assign (resid    3 and name HN   ) (resid    4 and name HN   )   3.66   3.66   0.00
assign (resid    3 and name HN   ) (resid    5 and name HN   )   5.50   5.50   0.00
assign (resid    3 and name HN   ) (resid   16 and name HZ3  )   5.50   5.50   0.00
assign (resid    3 and name HA   ) (resid    3 and name HB*  )   3.01   3.01   0.00
assign (resid    3 and name HA   ) (resid    3 and name HG2  )   3.69   3.69   0.00
assign (resid    3 and name HA   ) (resid    3 and name HG1  )   4.00   4.00   0.00
assign (resid    3 and name HA   ) (resid    4 and name HN   )   3.40   3.40   0.00
assign (resid    3 and name HA   ) (resid    5 and name HN   )   5.16   5.16   0.00
assign (resid    3 and name HA   ) (resid    6 and name HN   )   5.50   5.50   0.00
assign (resid    3 and name HA   ) (resid    7 and name HN   )   4.93   4.93   0.00
assign (resid    3 and name HA   ) (resid   16 and name HH2  )   5.50   5.50   0.00
assign (resid    3 and name HB*  ) (resid    3 and name HG2  )   3.19   3.19   0.00
assign (resid    3 and name HB*  ) (resid    3 and name HG1  )   3.21   3.21   0.00
assign (resid    3 and name HB*  ) (resid    4 and name HN   )   3.65   3.65   0.00
assign (resid    3 and name HB*  ) (resid    5 and name HN   )   5.50   5.50   0.00
assign (resid    3 and name HB*  ) (resid   16 and name HH2  )   5.16   5.16   0.00
assign (resid    3 and name HG2  ) (resid    3 and name HG1  )   2.48   2.48   0.00
assign (resid    3 and name HG2  ) (resid    4 and name HN   )   4.58   4.58   0.00
assign (resid    3 and name HG2  ) (resid    5 and name HN   )   5.50   5.50   0.00
assign (resid    3 and name HG2  ) (resid   16 and name HZ3  )   5.50   5.50   0.00
assign (resid    3 and name HG2  ) (resid   16 and name HH2  )   5.50   5.50   0.00
assign (resid    3 and name HG1  ) (resid    4 and name HN   )   4.56   4.56   0.00
assign (resid    3 and name HG1  ) (resid   16 and name HZ3  )   5.31   5.31   0.00
assign (resid    3 and name HG1  ) (resid   16 and name HH2  )   5.50   5.50   0.00
assign (resid    4 and name HN   ) (resid    4 and name HA   )   3.25   3.25   0.00
assign (resid    4 and name HN   ) (resid    4 and name HB2  )   3.35   3.35   0.00
assign (resid    4 and name HN   ) (resid    4 and name HB1  )   3.54   3.54   0.00
assign (resid    4 and name HN   ) (resid    4 and name HG2  )   4.05   4.05   0.00
assign (resid    4 and name HN   ) (resid    4 and name HG1  )   3.77   3.77   0.00
assign (resid    4 and name HN   ) (resid    4 and name HD*  )   4.48   4.48   0.00
assign (resid    4 and name HN   ) (resid    5 and name HN   )   3.87   3.87   0.00
assign (resid    4 and name HA   ) (resid    4 and name HB2  )   3.28   3.28   0.00
assign (resid    4 and name HA   ) (resid    4 and name HB1  )   3.23   3.23   0.00
assign (resid    4 and name HA   ) (resid    4 and name HG2  )   4.12   4.12   0.00
assign (resid    4 and name HA   ) (resid    4 and name HG1  )   3.53   3.53   0.00
assign (resid    4 and name HA   ) (resid    5 and name HN   )   3.61   3.61   0.00
assign (resid    4 and name HA   ) (resid    7 and name HB2  )   4.47   4.47   0.00
assign (resid    4 and name HA   ) (resid    7 and name HG*  )   4.68   4.68   0.00
assign (resid    4 and name HB2  ) (resid    4 and name HD*  )   3.47   3.47   0.00
assign (resid    4 and name HB2  ) (resid    4 and name HE   )   5.26   5.26   0.00
assign (resid    4 and name HB2  ) (resid    5 and name HN   )   4.81   4.81   0.00
assign (resid    4 and name HB2  ) (resid   16 and name HZ3  )   5.50   5.50   0.00
assign (resid    4 and name HB1  ) (resid    4 and name HD*  )   3.31   3.31   0.00
assign (resid    4 and name HB1  ) (resid    4 and name HE   )   5.21   5.21   0.00
assign (resid    4 and name HB1  ) (resid    5 and name HN   )   4.52   4.52   0.00
assign (resid    4 and name HB1  ) (resid   16 and name HE3  )   5.26   5.26   0.00
assign (resid    4 and name HB1  ) (resid   16 and name HZ3  )   5.26   5.26   0.00
assign (resid    4 and name HG2  ) (resid    4 and name HD*  )   3.34   3.34   0.00
assign (resid    4 and name HG2  ) (resid    4 and name HE   )   4.71   4.71   0.00
assign (resid    4 and name HG2  ) (resid    5 and name HN   )   5.31   5.31   0.00
assign (resid    4 and name HG2  ) (resid   16 and name HE3  )   5.50   5.50   0.00
assign (resid    4 and name HG2  ) (resid   16 and name HZ3  )   5.04   5.04   0.00
assign (resid    4 and name HG2  ) (resid   16 and name HH2  )   5.37   5.37   0.00
assign (resid    4 and name HG1  ) (resid    4 and name HD*  )   3.29   3.29   0.00
assign (resid    4 and name HG1  ) (resid    4 and name HE   )   4.76   4.76   0.00
assign (resid    4 and name HG1  ) (resid    5 and name HN   )   5.16   5.16   0.00
assign (resid    4 and name HG1  ) (resid    8 and name HD21 )   5.00   5.00   0.00
assign (resid    4 and name HG1  ) (resid   16 and name HZ3  )   5.26   5.26   0.00
assign (resid    4 and name HG1  ) (resid   16 and name HH2  )   4.54   4.54   0.00
assign (resid    4 and name HD*  ) (resid    4 and name HE   )   3.84   3.84   0.00
assign (resid    4 and name HD*  ) (resid    8 and name HD21 )   5.43   5.43   0.00
assign (resid    4 and name HD*  ) (resid    8 and name HD22 )   4.56   4.56   0.00
assign (resid    5 and name HN   ) (resid    5 and name HA   )   4.04   4.04   0.00
assign (resid    5 and name HN   ) (resid    5 and name HB2  )   3.87   3.87   0.00
assign (resid    5 and name HN   ) (resid    5 and name HB1  )   4.19   4.19   0.00
assign (resid    5 and name HN   ) (resid    6 and name HN   )   3.20   3.20   0.00
assign (resid    5 and name HA   ) (resid    5 and name HB2  )   5.21   5.21   0.00
assign (resid    5 and name HA   ) (resid    5 and name HB1  )   5.04   5.04   0.00
assign (resid    5 and name HA   ) (resid    6 and name HN   )   4.09   4.09   0.00
assign (resid    5 and name HA   ) (resid    7 and name HN   )   4.66   4.66   0.00
assign (resid    5 and name HB2  ) (resid    5 and name HB1  )   2.40   2.40   0.00
assign (resid    5 and name HB2  ) (resid    6 and name HN   )   4.23   4.23   0.00
assign (resid    5 and name HB2  ) (resid   16 and name HZ3  )   4.08   4.08   0.00
assign (resid    5 and name HB2  ) (resid   17 and name HA   )   3.74   3.74   0.00
assign (resid    5 and name HB2  ) (resid   21 and name HB2  )   3.79   3.79   0.00
assign (resid    5 and name HB2  ) (resid   21 and name HB1  )   3.83   3.83   0.00
assign (resid    5 and name HB1  ) (resid    6 and name HN   )   4.56   4.56   0.00
assign (resid    5 and name HB1  ) (resid   16 and name HE3  )   5.21   5.21   0.00
assign (resid    5 and name HB1  ) (resid   16 and name HZ3  )   5.00   5.00   0.00
assign (resid    5 and name HB1  ) (resid   17 and name HA   )   4.54   4.54   0.00
assign (resid    5 and name HB1  ) (resid   21 and name HB2  )   3.91   3.91   0.00
assign (resid    5 and name HB1  ) (resid   21 and name HB1  )   3.84   3.84   0.00
assign (resid    6 and name HN   ) (resid    6 and name HA   )   4.50   4.50   0.00
assign (resid    6 and name HN   ) (resid    6 and name HB2  )   4.23   4.23   0.00
assign (resid    6 and name HN   ) (resid    6 and name HB1  )   4.93   4.93   0.00
assign (resid    6 and name HN   ) (resid    7 and name HN   )   4.41   4.41   0.00
assign (resid    6 and name HA   ) (resid    6 and name HB2  )   4.24   4.24   0.00
assign (resid    6 and name HA   ) (resid    6 and name HB1  )   4.04   4.04   0.00
assign (resid    6 and name HA   ) (resid    7 and name HN   )   3.89   3.89   0.00
assign (resid    6 and name HA   ) (resid    8 and name HN   )   5.12   5.12   0.00
assign (resid    6 and name HB2  ) (resid    6 and name HB1  )   2.82   2.82   0.00
assign (resid    6 and name HB2  ) (resid    7 and name HN   )   4.54   4.54   0.00
assign (resid    6 and name HB1  ) (resid    7 and name HN   )   4.45   4.45   0.00
assign (resid    6 and name HB1  ) (resid   23 and name HB2  )   4.86   4.86   0.00
assign (resid    6 and name HB1  ) (resid   23 and name HB1  )   4.90   4.90   0.00
assign (resid    7 and name HN   ) (resid    7 and name HA   )   3.32   3.32   0.00
assign (resid    7 and name HN   ) (resid    7 and name HB2  )   3.42   3.42   0.00
assign (resid    7 and name HN   ) (resid    7 and name HB1  )   3.60   3.60   0.00
assign (resid    7 and name HN   ) (resid    7 and name HG*  )   3.82   3.82   0.00
assign (resid    7 and name HN   ) (resid    7 and name HD*  )   4.71   4.71   0.00
assign (resid    7 and name HN   ) (resid    7 and name HE*  )   5.50   5.50   0.00
assign (resid    7 and name HN   ) (resid    8 and name HN   )   3.59   3.59   0.00
assign (resid    7 and name HA   ) (resid    7 and name HB2  )   3.34   3.34   0.00
assign (resid    7 and name HA   ) (resid    7 and name HB1  )   3.20   3.20   0.00
assign (resid    7 and name HA   ) (resid    7 and name HG*  )   3.51   3.51   0.00
assign (resid    7 and name HA   ) (resid    7 and name HD*  )   3.67   3.67   0.00
assign (resid    7 and name HA   ) (resid    8 and name HN   )   3.41   3.41   0.00
assign (resid    7 and name HA   ) (resid    9 and name HN   )   4.58   4.58   0.00
assign (resid    7 and name HB2  ) (resid    8 and name HN   )   4.10   4.10   0.00
assign (resid    7 and name HB2  ) (resid    8 and name HD21 )   4.96   4.96   0.00
assign (resid    7 and name HB2  ) (resid    8 and name HD22 )   5.12   5.12   0.00
assign (resid    7 and name HB1  ) (resid    8 and name HN   )   3.87   3.87   0.00
assign (resid    7 and name HB1  ) (resid    9 and name HN   )   5.50   5.50   0.00
assign (resid    7 and name HG*  ) (resid    8 and name HN   )   4.52   4.52   0.00
assign (resid    7 and name HG*  ) (resid    8 and name HD21 )   5.26   5.26   0.00
assign (resid    7 and name HD*  ) (resid    8 and name HN   )   5.16   5.16   0.00
assign (resid    7 and name HE*  ) (resid    8 and name HD22 )   5.07   5.07   0.00
assign (resid    8 and name HN   ) (resid    8 and name HA   )   3.27   3.27   0.00
assign (resid    8 and name HN   ) (resid    8 and name HB2  )   3.54   3.54   0.00
assign (resid    8 and name HN   ) (resid    8 and name HB1  )   3.78   3.78   0.00
assign (resid    8 and name HN   ) (resid    8 and name HD21 )   4.76   4.76   0.00
assign (resid    8 and name HN   ) (resid    8 and name HD22 )   5.37   5.37   0.00
assign (resid    8 and name HN   ) (resid    9 and name HN   )   3.61   3.61   0.00
assign (resid    8 and name HA   ) (resid    8 and name HB2  )   5.50   5.50   0.00
assign (resid    8 and name HA   ) (resid    8 and name HB1  )   5.31   5.31   0.00
assign (resid    8 and name HA   ) (resid    8 and name HD21 )   4.03   4.03   0.00
assign (resid    8 and name HA   ) (resid    8 and name HD22 )   4.34   4.34   0.00
assign (resid    8 and name HA   ) (resid    9 and name HN   )   3.39   3.39   0.00
assign (resid    8 and name HB2  ) (resid    8 and name HB1  )   2.40   2.40   0.00
assign (resid    8 and name HB2  ) (resid    8 and name HD21 )   3.08   3.08   0.00
assign (resid    8 and name HB2  ) (resid    8 and name HD22 )   3.59   3.59   0.00
assign (resid    8 and name HB2  ) (resid    9 and name HN   )   4.60   4.60   0.00
assign (resid    8 and name HB2  ) (resid   12 and name HN   )   5.31   5.31   0.00
assign (resid    8 and name HB2  ) (resid   12 and name HA1  )   4.56   4.56   0.00
assign (resid    8 and name HB2  ) (resid   12 and name HA2  )   5.07   5.07   0.00
assign (resid    8 and name HB1  ) (resid    8 and name HD21 )   3.32   3.32   0.00
assign (resid    8 and name HB1  ) (resid    8 and name HD22 )   3.81   3.81   0.00
assign (resid    8 and name HB1  ) (resid    9 and name HN   )   4.58   4.58   0.00
assign (resid    8 and name HB1  ) (resid   11 and name HN   )   5.37   5.37   0.00
assign (resid    8 and name HB1  ) (resid   12 and name HN   )   5.21   5.21   0.00
assign (resid    8 and name HB1  ) (resid   12 and name HA1  )   4.62   4.62   0.00
assign (resid    8 and name HB1  ) (resid   12 and name HA2  )   5.04   5.04   0.00
assign (resid    8 and name HD22 ) (resid    8 and name HD21 )   2.40   2.40   0.00
assign (resid    8 and name HD21 ) (resid   11 and name HB2  )   4.52   4.52   0.00
assign (resid    8 and name HD21 ) (resid   11 and name HB1  )   4.64   4.64   0.00
assign (resid    8 and name HD21 ) (resid   12 and name HA1  )   5.31   5.31   0.00
assign (resid    8 and name HD21 ) (resid   12 and name HA2  )   5.21   5.21   0.00
assign (resid    8 and name HD22 ) (resid   11 and name HB2  )   4.52   4.52   0.00
assign (resid    8 and name HD22 ) (resid   11 and name HB1  )   4.60   4.60   0.00
assign (resid    9 and name HN   ) (resid    9 and name HA1  )   3.17   3.17   0.00
assign (resid    9 and name HN   ) (resid    9 and name HA2  )   3.38   3.38   0.00
assign (resid    9 and name HN   ) (resid   10 and name HN   )   4.54   4.54   0.00
assign (resid    9 and name HA1  ) (resid    9 and name HA2  )   2.48   2.48   0.00
assign (resid    9 and name HA1  ) (resid   10 and name HN   )   3.44   3.44   0.00
assign (resid    9 and name HA1  ) (resid   11 and name HN   )   4.71   4.71   0.00
assign (resid    9 and name HA2  ) (resid   10 and name HN   )   3.37   3.37   0.00
assign (resid    9 and name HA2  ) (resid   11 and name HN   )   4.45   4.45   0.00
assign (resid   10 and name HN   ) (resid   10 and name HA   )   3.13   3.13   0.00
assign (resid   10 and name HN   ) (resid   10 and name HB*  )   3.55   3.55   0.00
assign (resid   10 and name HN   ) (resid   10 and name HG*  )   3.97   3.97   0.00
assign (resid   10 and name HN   ) (resid   10 and name HD*  )   4.81   4.81   0.00
assign (resid   10 and name HN   ) (resid   10 and name HE*  )   5.50   5.50   0.00
assign (resid   10 and name HN   ) (resid   11 and name HN   )   3.80   3.80   0.00
assign (resid   10 and name HA   ) (resid   10 and name HB*  )   3.35   3.35   0.00
assign (resid   10 and name HA   ) (resid   10 and name HG*  )   3.52   3.52   0.00
assign (resid   10 and name HA   ) (resid   10 and name HD*  )   4.00   4.00   0.00
assign (resid   10 and name HA   ) (resid   11 and name HN   )   3.49   3.49   0.00
assign (resid   10 and name HA   ) (resid   13 and name HN   )   4.42   4.42   0.00
assign (resid   10 and name HB*  ) (resid   11 and name HN   )   3.70   3.70   0.00
assign (resid   10 and name HG*  ) (resid   11 and name HN   )   4.44   4.44   0.00
assign (resid   11 and name HN   ) (resid   11 and name HA   )   3.04   3.04   0.00
assign (resid   11 and name HN   ) (resid   11 and name HB2  )   3.18   3.18   0.00
assign (resid   11 and name HN   ) (resid   11 and name HB1  )   3.53   3.53   0.00
assign (resid   11 and name HN   ) (resid   11 and name HG2  )   3.76   3.76   0.00
assign (resid   11 and name HN   ) (resid   11 and name HG1  )   3.65   3.65   0.00
assign (resid   11 and name HN   ) (resid   11 and name HD*  )   4.32   4.32   0.00
assign (resid   11 and name HN   ) (resid   12 and name HN   )   3.41   3.41   0.00
assign (resid   11 and name HA   ) (resid   11 and name HB2  )   3.25   3.25   0.00
assign (resid   11 and name HA   ) (resid   11 and name HB1  )   3.03   3.03   0.00
assign (resid   11 and name HA   ) (resid   11 and name HG2  )   3.53   3.53   0.00
assign (resid   11 and name HA   ) (resid   11 and name HG1  )   3.71   3.71   0.00
assign (resid   11 and name HA   ) (resid   11 and name HD*  )   4.13   4.13   0.00
assign (resid   11 and name HA   ) (resid   12 and name HN   )   3.28   3.28   0.00
assign (resid   11 and name HB2  ) (resid   11 and name HD*  )   3.65   3.65   0.00
assign (resid   11 and name HB2  ) (resid   11 and name HE   )   5.12   5.12   0.00
assign (resid   11 and name HB2  ) (resid   12 and name HN   )   4.20   4.20   0.00
assign (resid   11 and name HB1  ) (resid   11 and name HD*  )   2.97   2.97   0.00
assign (resid   11 and name HB1  ) (resid   11 and name HE   )   4.28   4.28   0.00
assign (resid   11 and name HB1  ) (resid   12 and name HN   )   4.06   4.06   0.00
assign (resid   11 and name HG2  ) (resid   11 and name HD*  )   3.34   3.34   0.00
assign (resid   11 and name HG2  ) (resid   11 and name HE   )   4.81   4.81   0.00
assign (resid   11 and name HG2  ) (resid   12 and name HN   )   5.20   5.20   0.00
assign (resid   11 and name HG1  ) (resid   11 and name HD*  )   2.97   2.97   0.00
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       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -32.8   31.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -82.2   33.5 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0   -8.1   35.6 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -88.8   53.6 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  145.2   59.5 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -61.2   20.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -34.2   20.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -64.4   20.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -40.0   20.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -64.1   20.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -39.5   20.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -62.2   20.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -37.8   31.4 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -72.0   23.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -29.0   56.8 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -83.1   29.3 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -15.6   54.1 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -96.1   55.9 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  133.6   32.2 2

assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name CB   ) (resid   20 and name CG   )    1.0  -60.0   30.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name CB   ) (resid   23 and name SG   )    1.0  -180.0   30.0 2







  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1           1HT      VAL   1  11.017   0.162   2.414
    2    H2   VAL   1           2HT      VAL   1   9.563   0.536   3.201
    3    H3   VAL   1           3HT      VAL   1  10.497   1.770   2.505
    4    HA   VAL   1           HA       VAL   1   9.739   1.394   0.430
    5    HB   VAL   1           HB       VAL   1   9.164  -0.985  -0.266
    6   HG11  VAL   1          2HG1      VAL   1  11.742  -1.683   0.515
    7   HG12  VAL   1          3HG1      VAL   1  11.779   0.081   0.486
    8   HG13  VAL   1          1HG1      VAL   1  11.305  -0.811  -0.957
    9   HG21  VAL   1          1HG2      VAL   1  10.532  -1.950   2.211
   10   HG22  VAL   1          2HG2      VAL   1   9.351  -2.774   1.190
   11   HG23  VAL   1          3HG2      VAL   1   8.819  -1.536   2.330
   12    H    GLY   2           H        GLY   2   7.516   0.794  -0.535
   13    HA2  GLY   2           2HA      GLY   2   5.241  -0.101   0.341
   14    HA3  GLY   2           1HA      GLY   2   5.451   1.103   1.587
   15    H    GLU   3           H        GLU   3   6.782   2.847  -0.600
   16    HA   GLU   3           HA       GLU   3   4.765   4.653  -1.167
   17    HB2  GLU   3           2HB      GLU   3   6.221   5.198  -3.199
   18    HB3  GLU   3           1HB      GLU   3   7.057   5.151  -1.650
   19    HG2  GLU   3           2HG      GLU   3   7.977   2.995  -2.097
   20    HG3  GLU   3           1HG      GLU   3   6.893   2.730  -3.457
   21    H    ARG   4           H        ARG   4   5.513   1.717  -2.971
   22    HA   ARG   4           HA       ARG   4   3.917   2.112  -5.265
   23    HB2  ARG   4           2HB      ARG   4   4.862   0.107  -5.666
   24    HB3  ARG   4           1HB      ARG   4   5.461   0.084  -4.013
   25    HG2  ARG   4           2HG      ARG   4   4.236  -1.865  -4.001
   26    HG3  ARG   4           1HG      ARG   4   2.971  -0.743  -3.505
   27    HD2  ARG   4           2HD      ARG   4   2.181  -0.564  -5.840
   28    HD3  ARG   4           1HD      ARG   4   3.481  -1.654  -6.370
   29    HE   ARG   4           HE       ARG   4   2.295  -3.110  -4.375
   30   HH11  ARG   4          1HH2      ARG   4   1.061  -1.441  -7.174
   31   HH12  ARG   4          2HH2      ARG   4  -0.302  -2.494  -7.355
   32   HH21  ARG   4          1HH1      ARG   4   0.529  -4.488  -4.616
   33   HH22  ARG   4          2HH1      ARG   4  -0.608  -4.227  -5.900
   34    H    CYS   5           H        CYS   5   2.912   1.452  -1.963
   35    HA   CYS   5           HA       CYS   5   0.276   0.449  -2.709
   36    HB2  CYS   5           2HB      CYS   5   1.657   0.041  -0.558
   37    HB3  CYS   5           1HB      CYS   5   1.064   1.622  -0.043
   38    H    CYS   6           H        CYS   6   1.159   3.473  -0.912
   39    HA   CYS   6           HA       CYS   6  -1.321   4.780  -1.250
   40    HB2  CYS   6           2HB      CYS   6   1.433   6.068  -1.318
   41    HB3  CYS   6           1HB      CYS   6  -0.071   6.829  -0.829
   42    H    LYS   7           H        LYS   7   1.444   4.594  -3.492
   43    HA   LYS   7           HA       LYS   7   0.517   6.460  -5.464
   44    HB2  LYS   7           2HB      LYS   7   2.333   4.065  -5.354
   45    HB3  LYS   7           1HB      LYS   7   1.968   4.794  -6.916
   46    HG2  LYS   7           2HG      LYS   7   2.747   6.653  -4.720
   47    HG3  LYS   7           1HG      LYS   7   4.018   5.626  -5.382
   48    HD2  LYS   7           2HD      LYS   7   2.180   7.192  -7.195
   49    HD3  LYS   7           1HD      LYS   7   3.623   7.936  -6.506
   50    HE2  LYS   7           2HE      LYS   7   3.784   5.283  -7.961
   51    HE3  LYS   7           1HE      LYS   7   3.872   6.827  -8.838
   52    HZ1  LYS   7           3HZ      LYS   7   5.678   7.531  -7.419
   53    HZ2  LYS   7           1HZ      LYS   7   6.079   6.038  -8.114
   54    HZ3  LYS   7           2HZ      LYS   7   5.568   6.110  -6.498
   55    H    ASN   8           H        ASN   8  -0.531   3.236  -4.675
   56    HA   ASN   8           HA       ASN   8  -2.139   3.105  -7.201
   57    HB2  ASN   8           2HB      ASN   8  -0.437   1.250  -5.691
   58    HB3  ASN   8           1HB      ASN   8  -1.976   0.555  -6.172
   59   HD21  ASN   8          1HD2      ASN   8   1.141   1.122  -7.268
   60   HD22  ASN   8          2HD2      ASN   8   0.847   0.981  -8.929
   61    H    GLY   9           H        GLY   9  -2.339   3.289  -3.764
   62    HA2  GLY   9           2HA      GLY   9  -4.176   3.179  -2.299
   63    HA3  GLY   9           1HA      GLY   9  -5.181   3.494  -3.711
   64    H    LYS  10           H        LYS  10  -6.660   1.924  -4.035
   65    HA   LYS  10           HA       LYS  10  -6.743  -0.607  -2.744
   66    HB2  LYS  10           2HB      LYS  10  -7.964   0.561  -5.246
   67    HB3  LYS  10           1HB      LYS  10  -8.312  -1.100  -4.763
   68    HG2  LYS  10           2HG      LYS  10  -9.028  -0.256  -2.515
   69    HG3  LYS  10           1HG      LYS  10  -8.792   1.391  -3.095
   70    HD2  LYS  10           2HD      LYS  10 -10.818   1.377  -4.086
   71    HD3  LYS  10           1HD      LYS  10 -10.396  -0.074  -4.995
   72    HE2  LYS  10           2HE      LYS  10 -11.205  -0.245  -2.079
   73    HE3  LYS  10           1HE      LYS  10 -12.412  -0.268  -3.382
   74    HZ1  LYS  10           3HZ      LYS  10 -10.064  -2.088  -3.133
   75    HZ2  LYS  10           1HZ      LYS  10 -11.164  -2.084  -4.427
   76    HZ3  LYS  10           2HZ      LYS  10 -11.683  -2.511  -2.875
   77    H    ARG  11           H        ARG  11  -5.124   0.393  -5.708
   78    HA   ARG  11           HA       ARG  11  -4.622  -2.263  -6.760
   79    HB2  ARG  11           2HB      ARG  11  -3.291   0.425  -7.147
   80    HB3  ARG  11           1HB      ARG  11  -2.980  -0.979  -8.157
   81    HG2  ARG  11           2HG      ARG  11  -5.760  -0.799  -8.124
   82    HG3  ARG  11           1HG      ARG  11  -5.242   0.884  -8.196
   83    HD2  ARG  11           2HD      ARG  11  -4.248  -1.307 -10.053
   84    HD3  ARG  11           1HD      ARG  11  -5.477  -0.101 -10.470
   85    HE   ARG  11           HE       ARG  11  -2.974   1.037  -9.413
   86   HH11  ARG  11          1HH2      ARG  11  -4.778   0.009 -12.207
   87   HH12  ARG  11          2HH2      ARG  11  -3.876   0.986 -13.310
   88   HH21  ARG  11          1HH1      ARG  11  -1.803   2.326 -10.845
   89   HH22  ARG  11          2HH1      ARG  11  -2.185   2.303 -12.537
   90    H    GLY  12           H        GLY  12  -3.186  -0.341  -4.307
   91    HA2  GLY  12           2HA      GLY  12  -0.663  -1.889  -4.305
   92    HA3  GLY  12           1HA      GLY  12  -1.008  -0.484  -3.304
   93    H    CYS  13           H        CYS  13  -3.726  -1.878  -2.683
   94    HA   CYS  13           HA       CYS  13  -3.097  -2.875  -0.128
   95    HB2  CYS  13           2HB      CYS  13  -5.364  -2.956  -2.034
   96    HB3  CYS  13           1HB      CYS  13  -5.400  -4.185  -0.769
   97    H    GLY  14           H        GLY  14  -2.268  -4.771   0.573
   98    HA2  GLY  14           2HA      GLY  14  -2.684  -7.359  -0.338
   99    HA3  GLY  14           1HA      GLY  14  -1.304  -6.772  -1.276
  100    H    ARG  15           H        ARG  15  -0.991  -8.880   0.590
  101    HA   ARG  15           HA       ARG  15  -0.255  -8.263   3.208
  102    HB2  ARG  15           2HB      ARG  15   1.549 -10.080   2.818
  103    HB3  ARG  15           1HB      ARG  15  -0.136 -10.523   2.581
  104    HG2  ARG  15           2HG      ARG  15   0.123 -10.198   0.140
  105    HG3  ARG  15           1HG      ARG  15   1.804  -9.734   0.386
  106    HD2  ARG  15           2HD      ARG  15   1.559 -12.136  -0.293
  107    HD3  ARG  15           1HD      ARG  15   2.313 -11.976   1.303
  108    HE   ARG  15           HE       ARG  15  -0.511 -12.783   0.782
  109   HH11  ARG  15          1HH2      ARG  15   2.060 -12.099   3.028
  110   HH12  ARG  15          2HH2      ARG  15   1.341 -12.995   4.311
  111   HH21  ARG  15          1HH1      ARG  15  -1.445 -13.942   2.469
  112   HH22  ARG  15          2HH1      ARG  15  -0.643 -14.045   4.000
  113    H    TRP  16           H        TRP  16   1.721  -7.740   0.271
  114    HA   TRP  16           HA       TRP  16   4.136  -6.833   1.484
  115    HB2  TRP  16           2HB      TRP  16   3.636  -7.250  -0.956
  116    HB3  TRP  16           1HB      TRP  16   2.758  -5.717  -0.979
  117    HD1  TRP  16           HD       TRP  16   6.247  -7.184  -0.628
  118    HE1  TRP  16           1HE      TRP  16   7.976  -5.345  -0.983
  119    HE3  TRP  16           3HE      TRP  16   3.173  -3.102  -0.774
  120    HZ2  TRP  16           2HZ      TRP  16   8.068  -2.488  -1.309
  121    HZ3  TRP  16           3HZ      TRP  16   4.104  -0.846  -1.117
  122    HH2  TRP  16           HH       TRP  16   6.549  -0.529  -1.377
  123    H    CYS  17           H        CYS  17   1.434  -4.800   0.261
  124    HA   CYS  17           HA       CYS  17   2.299  -2.390   1.521
  125    HB2  CYS  17           2HB      CYS  17   0.633  -2.491  -0.273
  126    HB3  CYS  17           1HB      CYS  17  -0.459  -3.400   0.758
  127    H    ARG  18           H        ARG  18   0.069  -4.957   2.626
  128    HA   ARG  18           HA       ARG  18  -0.809  -3.848   5.065
  129    HB2  ARG  18           2HB      ARG  18  -1.205  -6.135   3.804
  130    HB3  ARG  18           1HB      ARG  18   0.072  -6.716   4.868
  131    HG2  ARG  18           2HG      ARG  18  -1.393  -5.477   6.722
  132    HG3  ARG  18           1HG      ARG  18  -2.683  -5.768   5.557
  133    HD2  ARG  18           2HD      ARG  18  -0.846  -8.044   6.197
  134    HD3  ARG  18           1HD      ARG  18  -2.084  -7.598   7.381
  135    HE   ARG  18           HE       ARG  18  -2.860  -7.965   4.520
  136   HH11  ARG  18          1HH2      ARG  18  -3.035  -8.937   7.870
  137   HH12  ARG  18          2HH2      ARG  18  -4.485  -9.847   7.653
  138   HH21  ARG  18          1HH1      ARG  18  -4.752  -9.163   4.254
  139   HH22  ARG  18          2HH1      ARG  18  -5.460  -9.977   5.610
  140    H    ASP  19           H        ASP  19   2.250  -5.597   4.402
  141    HA   ASP  19           HA       ASP  19   3.126  -5.118   7.195
  142    HB2  ASP  19           2HB      ASP  19   3.328  -7.230   5.505
  143    HB3  ASP  19           1HB      ASP  19   4.877  -6.441   5.204
  144    H    HIS  20           H        HIS  20   3.824  -3.976   3.936
  145    HA   HIS  20           HA       HIS  20   6.222  -2.477   4.924
  146    HB2  HIS  20           2HB      HIS  20   5.186  -3.082   2.135
  147    HB3  HIS  20           1HB      HIS  20   6.723  -2.315   2.505
  148    HD1  HIS  20           1HD      HIS  20   4.909  -5.612   3.133
  149    HD2  HIS  20           2HD      HIS  20   8.790  -4.129   2.878
  150    HE1  HIS  20           1HE      HIS  20   6.448  -7.623   3.203
  151    H    SER  21           H        SER  21   2.900  -1.905   4.160
  152    HA   SER  21           HA       SER  21   3.520   1.008   3.752
  153    HB2  SER  21           2HB      SER  21   1.632  -0.831   2.287
  154    HB3  SER  21           1HB      SER  21   1.683   0.897   2.039
  155    HG   SER  21           HG       SER  21   3.922  -0.824   1.724
  156    H    ARG  22           H        ARG  22   2.508   2.083   5.467
  157    HA   ARG  22           HA       ARG  22   0.014   1.006   6.664
  158    HB2  ARG  22           2HB      ARG  22   1.717   3.498   7.097
  159    HB3  ARG  22           1HB      ARG  22   0.277   3.132   8.045
  160    HG2  ARG  22           2HG      ARG  22   2.648   1.259   7.791
  161    HG3  ARG  22           1HG      ARG  22   2.430   2.384   9.134
  162    HD2  ARG  22           2HD      ARG  22   0.529   0.136   8.357
  163    HD3  ARG  22           1HD      ARG  22   1.568   0.187   9.795
  164    HE   ARG  22           HE       ARG  22  -0.895   1.740   9.387
  165   HH11  ARG  22          1HH2      ARG  22   2.144   1.449  11.085
  166   HH12  ARG  22          2HH2      ARG  22   1.626   2.405  12.425
  167   HH21  ARG  22          1HH1      ARG  22  -1.565   2.990  11.138
  168   HH22  ARG  22          2HH1      ARG  22  -0.489   3.269  12.467
  169    H    CYS  23           H        CYS  23  -0.659   1.249   4.147
  170    HA   CYS  23           HA       CYS  23  -2.058   3.894   3.862
  171    HB2  CYS  23           2HB      CYS  23   0.228   3.224   2.596
  172    HB3  CYS  23           1HB      CYS  23  -0.909   2.470   1.494
  173    H    CYS  24           H        CYS  24  -2.545   0.602   4.131
  174    HA   CYS  24           HA       CYS  24  -4.925   0.661   2.298
  175    HB2  CYS  24           2HB      CYS  24  -2.545  -0.994   2.340
  176    HB3  CYS  24           1HB      CYS  24  -3.994  -1.984   2.502
  177    HN1  NH2  25           2H       CYS  24  -6.824  -0.358   5.088
  178    HN2  NH2  25           1H       CYS  24  -6.695   0.637   3.724
  Start of MODEL    2
    1    H1   VAL   1           1HT      VAL   1  11.344   1.104   2.364
    2    H2   VAL   1           2HT      VAL   1  10.022   0.541   3.266
    3    H3   VAL   1           3HT      VAL   1   9.967   2.065   2.517
    4    HA   VAL   1           HA       VAL   1   9.912   1.081   0.341
    5    HB   VAL   1           HB       VAL   1  10.459  -1.406   2.003
    6   HG11  VAL   1          2HG1      VAL   1   8.740  -1.835   0.207
    7   HG12  VAL   1          3HG1      VAL   1  10.250  -2.726  -0.020
    8   HG13  VAL   1          1HG1      VAL   1   9.927  -1.274  -0.977
    9   HG21  VAL   1          1HG2      VAL   1  12.577  -0.669   1.500
   10   HG22  VAL   1          2HG2      VAL   1  12.006   0.367   0.196
   11   HG23  VAL   1          3HG2      VAL   1  12.238  -1.355  -0.088
   12    H    GLY   2           H        GLY   2   7.746   1.343  -0.166
   13    HA2  GLY   2           2HA      GLY   2   5.643  -0.363   0.432
   14    HA3  GLY   2           1HA      GLY   2   5.665   0.755   1.775
   15    H    GLU   3           H        GLU   3   6.694   2.890  -0.214
   16    HA   GLU   3           HA       GLU   3   4.485   4.430  -0.616
   17    HB2  GLU   3           2HB      GLU   3   5.748   5.325  -2.637
   18    HB3  GLU   3           1HB      GLU   3   6.660   5.240  -1.134
   19    HG2  GLU   3           2HG      GLU   3   7.829   3.296  -1.825
   20    HG3  GLU   3           1HG      GLU   3   6.716   2.996  -3.157
   21    H    ARG   4           H        ARG   4   5.382   1.730  -2.712
   22    HA   ARG   4           HA       ARG   4   3.715   2.150  -4.917
   23    HB2  ARG   4           2HB      ARG   4   4.690   0.173  -5.394
   24    HB3  ARG   4           1HB      ARG   4   5.249   0.058  -3.733
   25    HG2  ARG   4           2HG      ARG   4   3.997  -1.906  -4.059
   26    HG3  ARG   4           1HG      ARG   4   2.891  -0.845  -3.189
   27    HD2  ARG   4           2HD      ARG   4   1.406  -1.054  -4.897
   28    HD3  ARG   4           1HD      ARG   4   2.572  -0.277  -5.976
   29    HE   ARG   4           HE       ARG   4   3.357  -2.440  -6.665
   30   HH11  ARG   4          1HH2      ARG   4   1.003  -2.635  -4.107
   31   HH12  ARG   4          2HH2      ARG   4   0.569  -4.269  -4.465
   32   HH21  ARG   4          1HH1      ARG   4   2.808  -4.584  -7.095
   33   HH22  ARG   4          2HH1      ARG   4   1.610  -5.378  -6.131
   34    H    CYS   5           H        CYS   5   2.785   1.164  -1.666
   35    HA   CYS   5           HA       CYS   5   0.190   0.133  -2.236
   36    HB2  CYS   5           2HB      CYS   5   1.437  -0.004  -0.070
   37    HB3  CYS   5           1HB      CYS   5   1.111   1.709   0.184
   38    H    CYS   6           H        CYS   6   0.927   3.441  -0.996
   39    HA   CYS   6           HA       CYS   6  -1.702   4.446  -1.580
   40    HB2  CYS   6           2HB      CYS   6   0.776   6.176  -1.529
   41    HB3  CYS   6           1HB      CYS   6  -0.838   6.527  -0.923
   42    H    LYS   7           H        LYS   7   1.271   4.268  -3.518
   43    HA   LYS   7           HA       LYS   7   0.621   6.026  -5.635
   44    HB2  LYS   7           2HB      LYS   7   2.307   3.627  -5.198
   45    HB3  LYS   7           1HB      LYS   7   1.932   3.983  -6.879
   46    HG2  LYS   7           2HG      LYS   7   3.249   5.821  -6.913
   47    HG3  LYS   7           1HG      LYS   7   2.680   6.366  -5.336
   48    HD2  LYS   7           2HD      LYS   7   4.972   5.869  -5.011
   49    HD3  LYS   7           1HD      LYS   7   4.110   4.487  -4.348
   50    HE2  LYS   7           2HE      LYS   7   5.351   3.162  -5.726
   51    HE3  LYS   7           1HE      LYS   7   4.489   3.891  -7.095
   52    HZ1  LYS   7           3HZ      LYS   7   6.923   4.210  -7.189
   53    HZ2  LYS   7           1HZ      LYS   7   6.844   5.126  -5.753
   54    HZ3  LYS   7           2HZ      LYS   7   6.055   5.665  -7.172
   55    H    ASN   8           H        ASN   8  -0.640   2.855  -4.886
   56    HA   ASN   8           HA       ASN   8  -2.216   2.875  -7.437
   57    HB2  ASN   8           2HB      ASN   8  -0.651   0.888  -5.937
   58    HB3  ASN   8           1HB      ASN   8  -2.209   0.304  -6.491
   59   HD21  ASN   8          1HD2      ASN   8   0.971   0.748  -7.447
   60   HD22  ASN   8          2HD2      ASN   8   0.730   0.653  -9.116
   61    H    GLY   9           H        GLY   9  -2.574   3.264  -4.077
   62    HA2  GLY   9           2HA      GLY   9  -4.457   3.208  -2.677
   63    HA3  GLY   9           1HA      GLY   9  -5.417   3.337  -4.150
   64    H    LYS  10           H        LYS  10  -6.806   1.652  -4.388
   65    HA   LYS  10           HA       LYS  10  -6.738  -0.752  -2.849
   66    HB2  LYS  10           2HB      LYS  10  -8.030   0.037  -5.470
   67    HB3  LYS  10           1HB      LYS  10  -8.326  -1.530  -4.716
   68    HG2  LYS  10           2HG      LYS  10  -8.961  -0.251  -2.599
   69    HG3  LYS  10           1HG      LYS  10  -8.948   1.210  -3.591
   70    HD2  LYS  10           2HD      LYS  10 -10.748   0.476  -4.918
   71    HD3  LYS  10           1HD      LYS  10 -10.546  -1.206  -4.428
   72    HE2  LYS  10           2HE      LYS  10 -11.209   0.875  -2.349
   73    HE3  LYS  10           1HE      LYS  10 -12.499   0.181  -3.355
   74    HZ1  LYS  10           3HZ      LYS  10 -10.548  -1.684  -2.236
   75    HZ2  LYS  10           1HZ      LYS  10 -12.210  -1.874  -2.482
   76    HZ3  LYS  10           2HZ      LYS  10 -11.659  -0.992  -1.151
   77    H    ARG  11           H        ARG  11  -5.225   0.110  -5.922
   78    HA   ARG  11           HA       ARG  11  -4.430  -2.622  -6.596
   79    HB2  ARG  11           2HB      ARG  11  -3.527   0.122  -7.522
   80    HB3  ARG  11           1HB      ARG  11  -2.986  -1.384  -8.253
   81    HG2  ARG  11           2HG      ARG  11  -5.781  -1.592  -8.110
   82    HG3  ARG  11           1HG      ARG  11  -5.456   0.049  -8.668
   83    HD2  ARG  11           2HD      ARG  11  -3.649  -1.656 -10.072
   84    HD3  ARG  11           1HD      ARG  11  -5.255  -2.404 -10.167
   85    HE   ARG  11           HE       ARG  11  -6.103  -0.401 -11.187
   86   HH11  ARG  11          1HH2      ARG  11  -2.711  -0.176 -10.381
   87   HH12  ARG  11          2HH2      ARG  11  -2.431   1.154 -11.447
   88   HH21  ARG  11          1HH1      ARG  11  -5.703   1.333 -12.580
   89   HH22  ARG  11          2HH1      ARG  11  -4.111   2.006 -12.682
   90    H    GLY  12           H        GLY  12  -3.267  -0.148  -4.512
   91    HA2  GLY  12           2HA      GLY  12  -0.544  -1.260  -4.393
   92    HA3  GLY  12           1HA      GLY  12  -1.128   0.146  -3.499
   93    H    CYS  13           H        CYS  13  -3.586  -1.714  -2.861
   94    HA   CYS  13           HA       CYS  13  -2.812  -2.453  -0.214
   95    HB2  CYS  13           2HB      CYS  13  -5.127  -2.175  -1.637
   96    HB3  CYS  13           1HB      CYS  13  -5.009  -3.932  -1.570
   97    H    GLY  14           H        GLY  14  -3.111  -4.897   0.480
   98    HA2  GLY  14           2HA      GLY  14  -2.849  -7.244  -0.449
   99    HA3  GLY  14           1HA      GLY  14  -1.532  -6.588  -1.418
  100    H    ARG  15           H        ARG  15  -1.092  -8.712   0.347
  101    HA   ARG  15           HA       ARG  15  -0.275  -8.224   2.965
  102    HB2  ARG  15           2HB      ARG  15   1.397 -10.040   2.537
  103    HB3  ARG  15           1HB      ARG  15  -0.212 -10.421   1.915
  104    HG2  ARG  15           2HG      ARG  15   0.655  -9.378  -0.316
  105    HG3  ARG  15           1HG      ARG  15   2.262  -9.622   0.378
  106    HD2  ARG  15           2HD      ARG  15   0.165 -11.802   0.076
  107    HD3  ARG  15           1HD      ARG  15   1.551 -11.564  -1.011
  108    HE   ARG  15           HE       ARG  15   2.725 -11.605   1.489
  109   HH11  ARG  15          1HH2      ARG  15   0.524 -13.711  -0.203
  110   HH12  ARG  15          2HH2      ARG  15   1.104 -15.141   0.570
  111   HH21  ARG  15          1HH1      ARG  15   3.450 -13.476   2.521
  112   HH22  ARG  15          2HH1      ARG  15   2.753 -15.008   2.122
  113    H    TRP  16           H        TRP  16   1.653  -7.581   0.012
  114    HA   TRP  16           HA       TRP  16   4.051  -6.706   1.219
  115    HB2  TRP  16           2HB      TRP  16   3.487  -7.042  -1.231
  116    HB3  TRP  16           1HB      TRP  16   2.697  -5.464  -1.183
  117    HD1  TRP  16           HD       TRP  16   6.109  -7.122  -0.876
  118    HE1  TRP  16           1HE      TRP  16   7.928  -5.366  -1.214
  119    HE3  TRP  16           3HE      TRP  16   3.227  -2.920  -1.024
  120    HZ2  TRP  16           2HZ      TRP  16   8.152  -2.514  -1.529
  121    HZ3  TRP  16           3HZ      TRP  16   4.272  -0.699  -1.345
  122    HH2  TRP  16           HH       TRP  16   6.721  -0.486  -1.597
  123    H    CYS  17           H        CYS  17   1.393  -4.558   0.096
  124    HA   CYS  17           HA       CYS  17   2.345  -2.229   1.452
  125    HB2  CYS  17           2HB      CYS  17   0.712  -1.935  -0.223
  126    HB3  CYS  17           1HB      CYS  17  -0.309  -3.205   0.420
  127    H    ARG  18           H        ARG  18  -0.044  -4.689   2.409
  128    HA   ARG  18           HA       ARG  18  -0.913  -3.704   4.880
  129    HB2  ARG  18           2HB      ARG  18  -1.405  -5.896   3.573
  130    HB3  ARG  18           1HB      ARG  18  -0.062  -6.572   4.481
  131    HG2  ARG  18           2HG      ARG  18  -1.295  -5.608   6.570
  132    HG3  ARG  18           1HG      ARG  18  -2.705  -5.558   5.512
  133    HD2  ARG  18           2HD      ARG  18  -1.100  -8.084   5.550
  134    HD3  ARG  18           1HD      ARG  18  -2.152  -7.745   6.940
  135    HE   ARG  18           HE       ARG  18  -3.802  -7.162   4.833
  136   HH11  ARG  18          1HH2      ARG  18  -1.748  -9.886   5.554
  137   HH12  ARG  18          2HH2      ARG  18  -2.751 -11.020   4.725
  138   HH21  ARG  18          1HH1      ARG  18  -5.088  -8.650   3.718
  139   HH22  ARG  18          2HH1      ARG  18  -4.627 -10.319   3.667
  140    H    ASP  19           H        ASP  19   2.093  -5.539   4.232
  141    HA   ASP  19           HA       ASP  19   2.958  -5.119   7.036
  142    HB2  ASP  19           2HB      ASP  19   3.139  -7.181   5.210
  143    HB3  ASP  19           1HB      ASP  19   4.761  -6.489   5.177
  144    H    HIS  20           H        HIS  20   3.721  -3.980   3.801
  145    HA   HIS  20           HA       HIS  20   6.175  -2.600   4.806
  146    HB2  HIS  20           2HB      HIS  20   5.109  -3.137   2.016
  147    HB3  HIS  20           1HB      HIS  20   6.658  -2.385   2.372
  148    HD1  HIS  20           1HD      HIS  20   4.815  -5.669   2.838
  149    HD2  HIS  20           2HD      HIS  20   8.709  -4.197   2.894
  150    HE1  HIS  20           1HE      HIS  20   6.337  -7.686   2.951
  151    H    SER  21           H        SER  21   2.961  -1.779   4.580
  152    HA   SER  21           HA       SER  21   3.685   1.058   4.004
  153    HB2  SER  21           2HB      SER  21   2.969  -0.332   1.940
  154    HB3  SER  21           1HB      SER  21   1.368  -0.335   2.666
  155    HG   SER  21           HG       SER  21   2.932   1.919   1.913
  156    H    ARG  22           H        ARG  22   2.616   2.419   5.361
  157    HA   ARG  22           HA       ARG  22   0.348   1.390   6.999
  158    HB2  ARG  22           2HB      ARG  22   1.855   4.038   7.054
  159    HB3  ARG  22           1HB      ARG  22   0.760   3.440   8.298
  160    HG2  ARG  22           2HG      ARG  22   3.359   2.104   7.471
  161    HG3  ARG  22           1HG      ARG  22   3.121   3.064   8.928
  162    HD2  ARG  22           2HD      ARG  22   1.034   1.261   9.119
  163    HD3  ARG  22           1HD      ARG  22   2.327   0.278   8.401
  164    HE   ARG  22           HE       ARG  22   3.341   1.942  10.548
  165   HH11  ARG  22          1HH2      ARG  22   1.558  -0.936   9.810
  166   HH12  ARG  22          2HH2      ARG  22   1.990  -1.747  11.277
  167   HH21  ARG  22          1HH1      ARG  22   3.954   0.885  12.472
  168   HH22  ARG  22          2HH1      ARG  22   3.367  -0.711  12.799
  169    H    CYS  23           H        CYS  23  -0.374   1.508   4.398
  170    HA   CYS  23           HA       CYS  23  -1.888   4.085   4.071
  171    HB2  CYS  23           2HB      CYS  23   0.143   3.160   2.559
  172    HB3  CYS  23           1HB      CYS  23  -1.180   2.304   1.782
  173    H    CYS  24           H        CYS  24  -1.898   0.570   3.303
  174    HA   CYS  24           HA       CYS  24  -4.885   0.656   3.114
  175    HB2  CYS  24           2HB      CYS  24  -2.997  -0.330   1.380
  176    HB3  CYS  24           1HB      CYS  24  -3.367  -1.770   2.322
  177    HN1  NH2  25           2H       CYS  24  -4.052  -0.800   6.499
  178    HN2  NH2  25           1H       CYS  24  -3.803   0.709   5.768
  Start of MODEL    3
    1    H1   VAL   1           1HT      VAL   1   9.914  -0.863   2.454
    2    H2   VAL   1           2HT      VAL   1  10.251   0.743   2.870
    3    H3   VAL   1           3HT      VAL   1  11.371  -0.150   1.963
    4    HA   VAL   1           HA       VAL   1   9.864   1.548   0.763
    5    HB   VAL   1           HB       VAL   1  11.421  -0.017  -0.298
    6   HG11  VAL   1          2HG1      VAL   1   9.222  -2.069   0.083
    7   HG12  VAL   1          3HG1      VAL   1  10.811  -2.067   0.847
    8   HG13  VAL   1          1HG1      VAL   1  10.671  -2.316  -0.890
    9   HG21  VAL   1          1HG2      VAL   1   8.906  -0.587  -1.804
   10   HG22  VAL   1          2HG2      VAL   1  10.463  -0.007  -2.387
   11   HG23  VAL   1          3HG2      VAL   1   9.367   1.098  -1.566
   12    H    GLY   2           H        GLY   2   7.701   2.081   0.614
   13    HA2  GLY   2           2HA      GLY   2   5.673  -0.020   0.380
   14    HA3  GLY   2           1HA      GLY   2   5.598   0.863   1.890
   15    H    GLU   3           H        GLU   3   6.638   2.623  -0.943
   16    HA   GLU   3           HA       GLU   3   4.399   4.444  -0.686
   17    HB2  GLU   3           2HB      GLU   3   5.434   5.417  -2.793
   18    HB3  GLU   3           1HB      GLU   3   6.516   5.300  -1.410
   19    HG2  GLU   3           2HG      GLU   3   7.644   3.430  -2.307
   20    HG3  GLU   3           1HG      GLU   3   6.357   3.096  -3.462
   21    H    ARG   4           H        ARG   4   5.181   1.778  -2.856
   22    HA   ARG   4           HA       ARG   4   3.336   2.090  -4.922
   23    HB2  ARG   4           2HB      ARG   4   4.332   0.119  -5.377
   24    HB3  ARG   4           1HB      ARG   4   4.957   0.053  -3.738
   25    HG2  ARG   4           2HG      ARG   4   3.730  -1.912  -3.846
   26    HG3  ARG   4           1HG      ARG   4   2.549  -0.809  -3.147
   27    HD2  ARG   4           2HD      ARG   4   1.232  -1.597  -4.859
   28    HD3  ARG   4           1HD      ARG   4   2.105  -0.374  -5.801
   29    HE   ARG   4           HE       ARG   4   3.810  -2.222  -6.275
   30   HH11  ARG   4          1HH2      ARG   4   0.448  -2.935  -5.596
   31   HH12  ARG   4          2HH2      ARG   4   0.511  -4.473  -6.364
   32   HH21  ARG   4          1HH1      ARG   4   3.837  -4.234  -7.293
   33   HH22  ARG   4          2HH1      ARG   4   2.405  -5.203  -7.331
   34    H    CYS   5           H        CYS   5   2.700   1.088  -1.579
   35    HA   CYS   5           HA       CYS   5   0.036   0.131  -1.935
   36    HB2  CYS   5           2HB      CYS   5   1.426  -0.148   0.096
   37    HB3  CYS   5           1HB      CYS   5   1.299   1.584   0.412
   38    H    CYS   6           H        CYS   6   1.108   3.396  -0.847
   39    HA   CYS   6           HA       CYS   6  -1.541   4.548  -1.155
   40    HB2  CYS   6           2HB      CYS   6   0.917   5.204   0.018
   41    HB3  CYS   6           1HB      CYS   6   0.735   6.396  -1.268
   42    H    LYS   7           H        LYS   7   1.290   4.156  -3.233
   43    HA   LYS   7           HA       LYS   7   0.707   6.060  -5.264
   44    HB2  LYS   7           2HB      LYS   7   2.070   3.361  -5.238
   45    HB3  LYS   7           1HB      LYS   7   2.030   4.378  -6.675
   46    HG2  LYS   7           2HG      LYS   7   2.845   5.890  -4.322
   47    HG3  LYS   7           1HG      LYS   7   3.907   4.509  -4.609
   48    HD2  LYS   7           2HD      LYS   7   3.115   6.514  -6.742
   49    HD3  LYS   7           1HD      LYS   7   4.621   6.594  -5.822
   50    HE2  LYS   7           2HE      LYS   7   4.393   3.922  -6.798
   51    HE3  LYS   7           1HE      LYS   7   4.055   5.008  -8.160
   52    HZ1  LYS   7           3HZ      LYS   7   6.408   4.741  -7.982
   53    HZ2  LYS   7           1HZ      LYS   7   6.397   5.100  -6.319
   54    HZ3  LYS   7           2HZ      LYS   7   6.037   6.310  -7.463
   55    H    ASN   8           H        ASN   8  -0.422   2.731  -4.824
   56    HA   ASN   8           HA       ASN   8  -2.145   3.027  -7.261
   57    HB2  ASN   8           2HB      ASN   8  -0.519   0.923  -6.013
   58    HB3  ASN   8           1HB      ASN   8  -2.098   0.366  -6.547
   59   HD21  ASN   8          1HD2      ASN   8   1.017   0.708  -7.646
   60   HD22  ASN   8          2HD2      ASN   8   0.687   0.861  -9.302
   61    H    GLY   9           H        GLY   9  -2.442   3.090  -3.881
   62    HA2  GLY   9           2HA      GLY   9  -4.294   2.878  -2.453
   63    HA3  GLY   9           1HA      GLY   9  -5.272   3.210  -3.878
   64    H    LYS  10           H        LYS  10  -6.624   1.592  -4.479
   65    HA   LYS  10           HA       LYS  10  -6.829  -0.895  -3.120
   66    HB2  LYS  10           2HB      LYS  10  -7.751  -0.011  -5.878
   67    HB3  LYS  10           1HB      LYS  10  -8.327  -1.463  -5.055
   68    HG2  LYS  10           2HG      LYS  10  -8.940   0.078  -3.096
   69    HG3  LYS  10           1HG      LYS  10  -8.690   1.417  -4.215
   70    HD2  LYS  10           2HD      LYS  10 -10.287  -0.110  -5.750
   71    HD3  LYS  10           1HD      LYS  10 -10.850  -0.630  -4.160
   72    HE2  LYS  10           2HE      LYS  10 -12.227   1.255  -4.646
   73    HE3  LYS  10           1HE      LYS  10 -10.957   1.926  -3.611
   74    HZ1  LYS  10           3HZ      LYS  10 -11.483   2.435  -6.374
   75    HZ2  LYS  10           1HZ      LYS  10  -9.873   1.966  -6.129
   76    HZ3  LYS  10           2HZ      LYS  10 -10.509   3.299  -5.290
   77    H    ARG  11           H        ARG  11  -4.954   0.030  -5.968
   78    HA   ARG  11           HA       ARG  11  -4.184  -2.752  -6.580
   79    HB2  ARG  11           2HB      ARG  11  -3.395  -0.011  -7.606
   80    HB3  ARG  11           1HB      ARG  11  -2.651  -1.491  -8.205
   81    HG2  ARG  11           2HG      ARG  11  -5.613  -1.493  -8.117
   82    HG3  ARG  11           1HG      ARG  11  -4.880  -0.403  -9.290
   83    HD2  ARG  11           2HD      ARG  11  -3.747  -3.162  -9.146
   84    HD3  ARG  11           1HD      ARG  11  -5.350  -2.996  -9.872
   85    HE   ARG  11           HE       ARG  11  -4.367  -1.269 -11.399
   86   HH11  ARG  11          1HH2      ARG  11  -2.177  -3.431  -9.712
   87   HH12  ARG  11          2HH2      ARG  11  -0.929  -3.256 -10.885
   88   HH21  ARG  11          1HH1      ARG  11  -2.704  -1.070 -12.907
   89   HH22  ARG  11          2HH1      ARG  11  -1.217  -1.923 -12.679
   90    H    GLY  12           H        GLY  12  -3.224  -0.303  -4.442
   91    HA2  GLY  12           2HA      GLY  12  -0.443  -1.245  -4.154
   92    HA3  GLY  12           1HA      GLY  12  -1.178   0.106  -3.284
   93    H    CYS  13           H        CYS  13  -3.600  -1.548  -2.661
   94    HA   CYS  13           HA       CYS  13  -2.899  -2.496  -0.074
   95    HB2  CYS  13           2HB      CYS  13  -5.208  -2.544  -1.933
   96    HB3  CYS  13           1HB      CYS  13  -5.214  -3.817  -0.714
   97    H    GLY  14           H        GLY  14  -2.623  -4.669   0.700
   98    HA2  GLY  14           2HA      GLY  14  -2.888  -7.123  -0.313
   99    HA3  GLY  14           1HA      GLY  14  -1.576  -6.545  -1.344
  100    H    ARG  15           H        ARG  15  -1.086  -8.710   0.297
  101    HA   ARG  15           HA       ARG  15  -0.166  -8.398   2.905
  102    HB2  ARG  15           2HB      ARG  15   1.507 -10.168   2.241
  103    HB3  ARG  15           1HB      ARG  15  -0.148 -10.515   1.743
  104    HG2  ARG  15           2HG      ARG  15   0.772  -9.128  -0.434
  105    HG3  ARG  15           1HG      ARG  15   2.239  -9.945   0.095
  106    HD2  ARG  15           2HD      ARG  15  -0.421 -11.333  -0.411
  107    HD3  ARG  15           1HD      ARG  15   0.965 -11.338  -1.520
  108    HE   ARG  15           HE       ARG  15   1.582 -12.177   1.236
  109   HH11  ARG  15          1HH2      ARG  15   0.655 -13.119  -1.987
  110   HH12  ARG  15          2HH2      ARG  15   1.307 -14.710  -1.835
  111   HH21  ARG  15          1HH1      ARG  15   2.408 -14.268   1.418
  112   HH22  ARG  15          2HH1      ARG  15   2.298 -15.359   0.082
  113    H    TRP  16           H        TRP  16   1.589  -7.484  -0.074
  114    HA   TRP  16           HA       TRP  16   4.070  -6.722   1.115
  115    HB2  TRP  16           2HB      TRP  16   3.456  -6.947  -1.335
  116    HB3  TRP  16           1HB      TRP  16   2.633  -5.390  -1.200
  117    HD1  TRP  16           HD       TRP  16   6.082  -6.999  -1.036
  118    HE1  TRP  16           1HE      TRP  16   7.870  -5.202  -1.333
  119    HE3  TRP  16           3HE      TRP  16   3.152  -2.821  -0.919
  120    HZ2  TRP  16           2HZ      TRP  16   8.060  -2.338  -1.518
  121    HZ3  TRP  16           3HZ      TRP  16   4.167  -0.577  -1.155
  122    HH2  TRP  16           HH       TRP  16   6.612  -0.335  -1.455
  123    H    CYS  17           H        CYS  17   1.385  -4.529   0.140
  124    HA   CYS  17           HA       CYS  17   2.356  -2.243   1.542
  125    HB2  CYS  17           2HB      CYS  17   0.647  -1.902  -0.045
  126    HB3  CYS  17           1HB      CYS  17  -0.348  -3.188   0.610
  127    H    ARG  18           H        ARG  18   0.075  -4.774   2.547
  128    HA   ARG  18           HA       ARG  18  -0.668  -3.819   5.086
  129    HB2  ARG  18           2HB      ARG  18  -0.217  -6.497   3.820
  130    HB3  ARG  18           1HB      ARG  18  -0.543  -6.442   5.555
  131    HG2  ARG  18           2HG      ARG  18  -2.654  -5.411   5.250
  132    HG3  ARG  18           1HG      ARG  18  -2.272  -4.930   3.595
  133    HD2  ARG  18           2HD      ARG  18  -3.700  -6.810   3.306
  134    HD3  ARG  18           1HD      ARG  18  -2.080  -7.501   3.137
  135    HE   ARG  18           HE       ARG  18  -2.277  -8.461   5.319
  136   HH11  ARG  18          1HH2      ARG  18  -4.965  -6.405   4.508
  137   HH12  ARG  18          2HH2      ARG  18  -5.968  -7.002   5.778
  138   HH21  ARG  18          1HH1      ARG  18  -3.593  -9.229   7.001
  139   HH22  ARG  18          2HH1      ARG  18  -5.193  -8.594   7.197
  140    H    ASP  19           H        ASP  19   2.308  -5.640   4.247
  141    HA   ASP  19           HA       ASP  19   3.321  -5.295   7.028
  142    HB2  ASP  19           2HB      ASP  19   3.373  -7.386   5.390
  143    HB3  ASP  19           1HB      ASP  19   4.842  -6.604   4.812
  144    H    HIS  20           H        HIS  20   3.899  -4.020   3.791
  145    HA   HIS  20           HA       HIS  20   6.389  -2.639   4.736
  146    HB2  HIS  20           2HB      HIS  20   5.237  -3.118   1.965
  147    HB3  HIS  20           1HB      HIS  20   6.802  -2.397   2.300
  148    HD1  HIS  20           1HD      HIS  20   4.915  -5.649   2.756
  149    HD2  HIS  20           2HD      HIS  20   8.844  -4.275   2.692
  150    HE1  HIS  20           1HE      HIS  20   6.394  -7.703   2.761
  151    H    SER  21           H        SER  21   3.086  -1.924   4.327
  152    HA   SER  21           HA       SER  21   3.722   0.971   3.863
  153    HB2  SER  21           2HB      SER  21   1.526  -0.734   2.668
  154    HB3  SER  21           1HB      SER  21   1.719   0.980   2.393
  155    HG   SER  21           HG       SER  21   4.037  -0.301   1.896
  156    H    ARG  22           H        ARG  22   1.900   2.407   4.482
  157    HA   ARG  22           HA       ARG  22   0.136   1.288   6.631
  158    HB2  ARG  22           2HB      ARG  22   1.585   3.967   6.600
  159    HB3  ARG  22           1HB      ARG  22   0.613   3.320   7.920
  160    HG2  ARG  22           2HG      ARG  22   2.296   1.291   7.775
  161    HG3  ARG  22           1HG      ARG  22   3.338   2.473   6.981
  162    HD2  ARG  22           2HD      ARG  22   2.066   2.796   9.726
  163    HD3  ARG  22           1HD      ARG  22   3.787   2.495   9.401
  164    HE   ARG  22           HE       ARG  22   3.406   4.699   7.880
  165   HH11  ARG  22          1HH2      ARG  22   2.345   3.957  11.109
  166   HH12  ARG  22          2HH2      ARG  22   2.314   5.611  11.616
  167   HH21  ARG  22          1HH1      ARG  22   3.338   6.866   8.536
  168   HH22  ARG  22          2HH1      ARG  22   2.882   7.264  10.155
  169    H    CYS  23           H        CYS  23  -0.169   2.093   3.654
  170    HA   CYS  23           HA       CYS  23  -2.342   4.133   3.996
  171    HB2  CYS  23           2HB      CYS  23  -0.329   4.905   2.773
  172    HB3  CYS  23           1HB      CYS  23  -0.471   3.537   1.674
  173    H    CYS  24           H        CYS  24  -3.218   1.645   4.477
  174    HA   CYS  24           HA       CYS  24  -5.045   1.061   2.294
  175    HB2  CYS  24           2HB      CYS  24  -2.421  -0.122   2.300
  176    HB3  CYS  24           1HB      CYS  24  -3.613  -1.395   2.537
  177    HN1  NH2  25           2H       CYS  24  -6.250   0.135   5.675
  178    HN2  NH2  25           1H       CYS  24  -5.870   1.548   4.822
  Start of MODEL    4
    1    H1   VAL   1           1HT      VAL   1   9.928  -0.729   2.553
    2    H2   VAL   1           2HT      VAL   1  10.243   0.880   2.993
    3    H3   VAL   1           3HT      VAL   1  11.379   0.001   2.090
    4    HA   VAL   1           HA       VAL   1   9.849   1.705   0.883
    5    HB   VAL   1           HB       VAL   1  11.471   0.266  -0.211
    6   HG11  VAL   1          2HG1      VAL   1  11.359  -1.880   0.618
    7   HG12  VAL   1          3HG1      VAL   1  10.455  -2.127  -0.872
    8   HG13  VAL   1          1HG1      VAL   1   9.600  -1.899   0.651
    9   HG21  VAL   1          1HG2      VAL   1  10.444   0.006  -2.303
   10   HG22  VAL   1          2HG2      VAL   1   9.451   1.232  -1.521
   11   HG23  VAL   1          3HG2      VAL   1   8.890  -0.439  -1.597
   12    H    GLY   2           H        GLY   2   7.692   2.174   0.740
   13    HA2  GLY   2           2HA      GLY   2   5.731   0.002   0.438
   14    HA3  GLY   2           1HA      GLY   2   5.556   0.960   1.892
   15    H    GLU   3           H        GLU   3   6.761   2.894  -0.654
   16    HA   GLU   3           HA       GLU   3   4.514   4.611  -0.760
   17    HB2  GLU   3           2HB      GLU   3   5.666   5.502  -2.787
   18    HB3  GLU   3           1HB      GLU   3   6.781   5.237  -1.449
   19    HG2  GLU   3           2HG      GLU   3   7.413   3.047  -2.430
   20    HG3  GLU   3           1HG      GLU   3   6.336   3.357  -3.788
   21    H    ARG   4           H        ARG   4   5.307   1.789  -2.712
   22    HA   ARG   4           HA       ARG   4   3.624   2.004  -4.908
   23    HB2  ARG   4           2HB      ARG   4   4.172  -0.372  -3.121
   24    HB3  ARG   4           1HB      ARG   4   3.485  -0.491  -4.740
   25    HG2  ARG   4           2HG      ARG   4   6.172   0.741  -4.059
   26    HG3  ARG   4           1HG      ARG   4   5.927  -0.861  -4.743
   27    HD2  ARG   4           2HD      ARG   4   4.641   1.403  -6.201
   28    HD3  ARG   4           1HD      ARG   4   6.405   1.261  -6.300
   29    HE   ARG   4           HE       ARG   4   4.685  -1.132  -6.790
   30   HH11  ARG   4          1HH2      ARG   4   7.111   1.166  -7.846
   31   HH12  ARG   4          2HH2      ARG   4   7.570   0.226  -9.217
   32   HH21  ARG   4          1HH1      ARG   4   5.306  -2.349  -8.584
   33   HH22  ARG   4          2HH1      ARG   4   6.547  -1.764  -9.639
   34    H    CYS   5           H        CYS   5   2.697   1.104  -1.588
   35    HA   CYS   5           HA       CYS   5   0.003   0.368  -2.173
   36    HB2  CYS   5           2HB      CYS   5   1.387   0.027  -0.056
   37    HB3  CYS   5           1HB      CYS   5   0.978   1.692   0.354
   38    H    CYS   6           H        CYS   6   1.268   3.537  -0.971
   39    HA   CYS   6           HA       CYS   6  -1.242   4.934  -1.217
   40    HB2  CYS   6           2HB      CYS   6   1.669   5.783  -1.255
   41    HB3  CYS   6           1HB      CYS   6   0.349   6.938  -1.323
   42    H    LYS   7           H        LYS   7   1.457   4.377  -3.471
   43    HA   LYS   7           HA       LYS   7   0.570   6.117  -5.574
   44    HB2  LYS   7           2HB      LYS   7   2.594   4.093  -5.047
   45    HB3  LYS   7           1HB      LYS   7   1.975   3.958  -6.693
   46    HG2  LYS   7           2HG      LYS   7   2.896   5.926  -7.339
   47    HG3  LYS   7           1HG      LYS   7   2.508   6.723  -5.815
   48    HD2  LYS   7           2HD      LYS   7   4.797   6.620  -5.585
   49    HD3  LYS   7           1HD      LYS   7   4.395   5.045  -4.909
   50    HE2  LYS   7           2HE      LYS   7   5.271   3.904  -6.699
   51    HE3  LYS   7           1HE      LYS   7   4.719   5.120  -7.866
   52    HZ1  LYS   7           3HZ      LYS   7   6.422   6.645  -6.810
   53    HZ2  LYS   7           1HZ      LYS   7   7.033   5.380  -7.757
   54    HZ3  LYS   7           2HZ      LYS   7   7.077   5.259  -6.059
   55    H    ASN   8           H        ASN   8  -0.299   2.817  -4.723
   56    HA   ASN   8           HA       ASN   8  -1.868   2.560  -7.248
   57    HB2  ASN   8           2HB      ASN   8  -0.447   0.775  -5.362
   58    HB3  ASN   8           1HB      ASN   8  -1.900   0.118  -6.094
   59   HD21  ASN   8          1HD2      ASN   8   1.389   0.482  -6.588
   60   HD22  ASN   8          2HD2      ASN   8   1.407   0.275  -8.268
   61    H    GLY   9           H        GLY   9  -2.334   3.030  -3.846
   62    HA2  GLY   9           2HA      GLY   9  -4.278   3.080  -2.547
   63    HA3  GLY   9           1HA      GLY   9  -5.128   3.413  -4.048
   64    H    LYS  10           H        LYS  10  -6.551   1.854  -4.723
   65    HA   LYS  10           HA       LYS  10  -7.136  -0.490  -3.217
   66    HB2  LYS  10           2HB      LYS  10  -7.606   0.265  -6.119
   67    HB3  LYS  10           1HB      LYS  10  -8.365  -1.126  -5.348
   68    HG2  LYS  10           2HG      LYS  10  -9.894   0.173  -4.301
   69    HG3  LYS  10           1HG      LYS  10  -8.656   1.297  -3.743
   70    HD2  LYS  10           2HD      LYS  10 -10.072   2.566  -5.200
   71    HD3  LYS  10           1HD      LYS  10  -8.601   2.229  -6.113
   72    HE2  LYS  10           2HE      LYS  10 -10.508   1.768  -7.569
   73    HE3  LYS  10           1HE      LYS  10  -9.779   0.215  -7.119
   74    HZ1  LYS  10           3HZ      LYS  10 -12.324   0.561  -6.813
   75    HZ2  LYS  10           1HZ      LYS  10 -11.876   1.392  -5.411
   76    HZ3  LYS  10           2HZ      LYS  10 -11.441  -0.236  -5.603
   77    H    ARG  11           H        ARG  11  -4.928   0.054  -5.918
   78    HA   ARG  11           HA       ARG  11  -4.289  -2.784  -6.262
   79    HB2  ARG  11           2HB      ARG  11  -3.030  -0.201  -7.249
   80    HB3  ARG  11           1HB      ARG  11  -2.518  -1.803  -7.767
   81    HG2  ARG  11           2HG      ARG  11  -4.557  -2.241  -8.856
   82    HG3  ARG  11           1HG      ARG  11  -5.399  -0.962  -7.983
   83    HD2  ARG  11           2HD      ARG  11  -5.040  -0.024 -10.141
   84    HD3  ARG  11           1HD      ARG  11  -3.725   0.651  -9.165
   85    HE   ARG  11           HE       ARG  11  -2.180  -0.800 -10.269
   86   HH11  ARG  11          1HH2      ARG  11  -5.495  -1.544 -11.061
   87   HH12  ARG  11          2HH2      ARG  11  -5.077  -2.558 -12.396
   88   HH21  ARG  11          1HH1      ARG  11  -1.651  -2.137 -12.028
   89   HH22  ARG  11          2HH1      ARG  11  -2.911  -2.909 -12.931
   90    H    GLY  12           H        GLY  12  -3.305  -0.232  -4.197
   91    HA2  GLY  12           2HA      GLY  12  -0.651  -1.204  -3.563
   92    HA3  GLY  12           1HA      GLY  12  -1.561   0.005  -2.659
   93    H    CYS  13           H        CYS  13  -3.867  -1.423  -2.037
   94    HA   CYS  13           HA       CYS  13  -3.311  -2.786   0.321
   95    HB2  CYS  13           2HB      CYS  13  -5.510  -2.922  -1.728
   96    HB3  CYS  13           1HB      CYS  13  -5.550  -4.006  -0.340
   97    H    GLY  14           H        GLY  14  -2.530  -4.804   0.842
   98    HA2  GLY  14           2HA      GLY  14  -2.786  -7.254  -0.311
   99    HA3  GLY  14           1HA      GLY  14  -1.537  -6.520  -1.325
  100    H    ARG  15           H        ARG  15  -0.957  -8.762   0.265
  101    HA   ARG  15           HA       ARG  15   0.018  -8.488   2.841
  102    HB2  ARG  15           2HB      ARG  15   0.066 -10.556   1.576
  103    HB3  ARG  15           1HB      ARG  15   1.194  -9.873   0.406
  104    HG2  ARG  15           2HG      ARG  15   2.755 -10.917   1.708
  105    HG3  ARG  15           1HG      ARG  15   2.589  -9.468   2.699
  106    HD2  ARG  15           2HD      ARG  15   2.378 -11.457   4.130
  107    HD3  ARG  15           1HD      ARG  15   0.796 -10.657   4.026
  108    HE   ARG  15           HE       ARG  15   0.863 -12.450   1.868
  109   HH11  ARG  15          1HH2      ARG  15   1.060 -12.585   5.344
  110   HH12  ARG  15          2HH2      ARG  15   0.399 -14.177   5.443
  111   HH21  ARG  15          1HH1      ARG  15  -0.006 -14.527   2.007
  112   HH22  ARG  15          2HH1      ARG  15  -0.192 -15.279   3.555
  113    H    TRP  16           H        TRP  16   1.871  -7.606  -0.137
  114    HA   TRP  16           HA       TRP  16   4.245  -6.698   1.119
  115    HB2  TRP  16           2HB      TRP  16   3.721  -6.974  -1.353
  116    HB3  TRP  16           1HB      TRP  16   2.871  -5.428  -1.263
  117    HD1  TRP  16           HD       TRP  16   6.340  -6.964  -0.974
  118    HE1  TRP  16           1HE      TRP  16   8.107  -5.135  -1.183
  119    HE3  TRP  16           3HE      TRP  16   3.320  -2.833  -0.957
  120    HZ2  TRP  16           2HZ      TRP  16   8.237  -2.258  -1.337
  121    HZ3  TRP  16           3HZ      TRP  16   4.304  -0.580  -1.136
  122    HH2  TRP  16           HH       TRP  16   6.745  -0.281  -1.334
  123    H    CYS  17           H        CYS  17   1.559  -4.572   0.003
  124    HA   CYS  17           HA       CYS  17   2.462  -2.247   1.382
  125    HB2  CYS  17           2HB      CYS  17   0.824  -1.911  -0.261
  126    HB3  CYS  17           1HB      CYS  17  -0.146  -3.260   0.297
  127    H    ARG  18           H        ARG  18   0.072  -4.724   2.336
  128    HA   ARG  18           HA       ARG  18  -0.788  -3.707   4.798
  129    HB2  ARG  18           2HB      ARG  18  -0.367  -6.387   3.574
  130    HB3  ARG  18           1HB      ARG  18  -0.627  -6.368   5.317
  131    HG2  ARG  18           2HG      ARG  18  -2.730  -5.303   5.114
  132    HG3  ARG  18           1HG      ARG  18  -2.414  -4.812   3.452
  133    HD2  ARG  18           2HD      ARG  18  -3.844  -6.643   3.163
  134    HD3  ARG  18           1HD      ARG  18  -2.255  -7.417   3.019
  135    HE   ARG  18           HE       ARG  18  -2.526  -7.680   5.632
  136   HH11  ARG  18          1HH2      ARG  18  -5.019  -7.941   3.217
  137   HH12  ARG  18          2HH2      ARG  18  -6.002  -8.984   4.176
  138   HH21  ARG  18          1HH1      ARG  18  -3.787  -9.101   6.838
  139   HH22  ARG  18          2HH1      ARG  18  -5.305  -9.650   6.219
  140    H    ASP  19           H        ASP  19   2.246  -5.505   4.180
  141    HA   ASP  19           HA       ASP  19   3.058  -5.146   7.021
  142    HB2  ASP  19           2HB      ASP  19   3.284  -7.235   5.382
  143    HB3  ASP  19           1HB      ASP  19   4.772  -6.403   4.915
  144    H    HIS  20           H        HIS  20   4.124  -4.230   3.746
  145    HA   HIS  20           HA       HIS  20   6.427  -2.691   4.782
  146    HB2  HIS  20           2HB      HIS  20   5.299  -3.163   2.002
  147    HB3  HIS  20           1HB      HIS  20   6.848  -2.401   2.341
  148    HD1  HIS  20           1HD      HIS  20   5.051  -5.715   2.782
  149    HD2  HIS  20           2HD      HIS  20   8.931  -4.210   2.819
  150    HE1  HIS  20           1HE      HIS  20   6.593  -7.720   2.860
  151    H    SER  21           H        SER  21   3.129  -1.998   4.169
  152    HA   SER  21           HA       SER  21   3.751   0.925   3.981
  153    HB2  SER  21           2HB      SER  21   3.152  -0.357   1.797
  154    HB3  SER  21           1HB      SER  21   1.532  -0.457   2.475
  155    HG   SER  21           HG       SER  21   3.046   1.860   1.833
  156    H    ARG  22           H        ARG  22   1.931   2.280   4.610
  157    HA   ARG  22           HA       ARG  22  -0.135   0.932   6.322
  158    HB2  ARG  22           2HB      ARG  22   1.361   3.530   6.843
  159    HB3  ARG  22           1HB      ARG  22   0.145   2.814   7.899
  160    HG2  ARG  22           2HG      ARG  22   2.460   1.085   7.144
  161    HG3  ARG  22           1HG      ARG  22   2.783   2.397   8.277
  162    HD2  ARG  22           2HD      ARG  22   1.255   1.540   9.885
  163    HD3  ARG  22           1HD      ARG  22   0.455   0.501   8.688
  164    HE   ARG  22           HE       ARG  22   3.143   0.012   9.887
  165   HH11  ARG  22          1HH2      ARG  22   0.614  -0.933   7.650
  166   HH12  ARG  22          2HH2      ARG  22   1.211  -2.547   7.472
  167   HH21  ARG  22          1HH1      ARG  22   3.888  -2.100   9.640
  168   HH22  ARG  22          2HH1      ARG  22   3.061  -3.201   8.594
  169    H    CYS  23           H        CYS  23  -0.401   1.554   3.603
  170    HA   CYS  23           HA       CYS  23  -2.094   4.041   3.574
  171    HB2  CYS  23           2HB      CYS  23   0.150   3.487   2.176
  172    HB3  CYS  23           1HB      CYS  23  -1.025   2.734   1.105
  173    H    CYS  24           H        CYS  24  -2.746   1.027   4.186
  174    HA   CYS  24           HA       CYS  24  -5.040   0.840   2.272
  175    HB2  CYS  24           2HB      CYS  24  -3.305  -0.685   1.498
  176    HB3  CYS  24           1HB      CYS  24  -3.061  -1.297   3.128
  177    HN1  NH2  25           2H       CYS  24  -7.080  -0.224   4.986
  178    HN2  NH2  25           1H       CYS  24  -6.999   0.126   3.329
  Start of MODEL    5
    1    H1   VAL   1           1HT      VAL   1  11.412   1.797   1.323
    2    H2   VAL   1           2HT      VAL   1  10.314   2.015   2.594
    3    H3   VAL   1           3HT      VAL   1  10.092   2.833   1.127
    4    HA   VAL   1           HA       VAL   1   9.771   0.684  -0.010
    5    HB   VAL   1           HB       VAL   1   9.703  -0.366   2.838
    6   HG11  VAL   1          2HG1      VAL   1   8.501  -1.921   1.670
    7   HG12  VAL   1          3HG1      VAL   1  10.112  -2.509   1.253
    8   HG13  VAL   1          1HG1      VAL   1   9.224  -1.482   0.121
    9   HG21  VAL   1          1HG2      VAL   1  12.001   0.076   2.543
   10   HG22  VAL   1          2HG2      VAL   1  11.940  -0.249   0.811
   11   HG23  VAL   1          3HG2      VAL   1  11.854  -1.584   1.959
   12    H    GLY   2           H        GLY   2   7.556  -0.268  -0.018
   13    HA2  GLY   2           2HA      GLY   2   5.265  -0.346   0.709
   14    HA3  GLY   2           1HA      GLY   2   5.585   1.003   1.780
   15    H    GLU   3           H        GLU   3   6.967   2.464  -0.492
   16    HA   GLU   3           HA       GLU   3   5.178   4.314  -1.332
   17    HB2  GLU   3           2HB      GLU   3   6.589   4.322  -3.495
   18    HB3  GLU   3           1HB      GLU   3   7.433   4.521  -1.957
   19    HG2  GLU   3           2HG      GLU   3   7.213   1.731  -2.394
   20    HG3  GLU   3           1HG      GLU   3   7.734   2.443  -3.916
   21    H    ARG   4           H        ARG   4   5.589   1.256  -3.149
   22    HA   ARG   4           HA       ARG   4   3.721   1.781  -5.194
   23    HB2  ARG   4           2HB      ARG   4   4.301  -0.312  -5.820
   24    HB3  ARG   4           1HB      ARG   4   5.451  -0.205  -4.497
   25    HG2  ARG   4           2HG      ARG   4   4.469  -2.059  -3.690
   26    HG3  ARG   4           1HG      ARG   4   3.120  -1.030  -3.233
   27    HD2  ARG   4           2HD      ARG   4   2.406  -1.416  -5.781
   28    HD3  ARG   4           1HD      ARG   4   3.380  -2.885  -5.577
   29    HE   ARG   4           HE       ARG   4   1.722  -2.668  -3.285
   30   HH11  ARG   4          1HH2      ARG   4   1.477  -3.187  -6.719
   31   HH12  ARG   4          2HH2      ARG   4  -0.017  -4.047  -6.606
   32   HH21  ARG   4          1HH1      ARG   4  -0.215  -3.796  -3.141
   33   HH22  ARG   4          2HH1      ARG   4  -0.983  -4.384  -4.573
   34    H    CYS   5           H        CYS   5   3.055   1.148  -1.839
   35    HA   CYS   5           HA       CYS   5   0.384   0.048  -2.242
   36    HB2  CYS   5           2HB      CYS   5   1.629  -0.376  -0.194
   37    HB3  CYS   5           1HB      CYS   5   1.770   1.351   0.127
   38    H    CYS   6           H        CYS   6   1.305   3.196  -0.749
   39    HA   CYS   6           HA       CYS   6  -1.244   4.424  -1.069
   40    HB2  CYS   6           2HB      CYS   6   1.359   5.072  -0.140
   41    HB3  CYS   6           1HB      CYS   6   0.912   6.331  -1.288
   42    H    LYS   7           H        LYS   7   1.544   4.332  -3.310
   43    HA   LYS   7           HA       LYS   7   0.626   6.197  -5.241
   44    HB2  LYS   7           2HB      LYS   7   2.626   4.147  -4.968
   45    HB3  LYS   7           1HB      LYS   7   1.863   3.965  -6.540
   46    HG2  LYS   7           2HG      LYS   7   2.940   6.585  -5.472
   47    HG3  LYS   7           1HG      LYS   7   3.826   5.521  -6.567
   48    HD2  LYS   7           2HD      LYS   7   1.066   6.188  -7.424
   49    HD3  LYS   7           1HD      LYS   7   2.187   7.544  -7.401
   50    HE2  LYS   7           2HE      LYS   7   3.608   5.377  -8.573
   51    HE3  LYS   7           1HE      LYS   7   2.010   5.408  -9.341
   52    HZ1  LYS   7           3HZ      LYS   7   4.010   7.579  -9.147
   53    HZ2  LYS   7           1HZ      LYS   7   2.370   7.932  -9.414
   54    HZ3  LYS   7           2HZ      LYS   7   3.226   6.985 -10.525
   55    H    ASN   8           H        ASN   8  -0.323   2.856  -4.682
   56    HA   ASN   8           HA       ASN   8  -2.063   2.901  -7.108
   57    HB2  ASN   8           2HB      ASN   8  -0.699   0.868  -5.418
   58    HB3  ASN   8           1HB      ASN   8  -2.197   0.389  -6.190
   59   HD21  ASN   8          1HD2      ASN   8   1.114   0.645  -6.711
   60   HD22  ASN   8          2HD2      ASN   8   1.095   0.555  -8.396
   61    H    GLY   9           H        GLY   9  -2.253   3.037  -3.641
   62    HA2  GLY   9           2HA      GLY   9  -4.087   3.050  -2.185
   63    HA3  GLY   9           1HA      GLY   9  -5.029   3.590  -3.574
   64    H    LYS  10           H        LYS  10  -6.546   2.183  -4.335
   65    HA   LYS  10           HA       LYS  10  -7.174  -0.280  -3.087
   66    HB2  LYS  10           2HB      LYS  10  -7.746   0.857  -5.835
   67    HB3  LYS  10           1HB      LYS  10  -8.507  -0.618  -5.239
   68    HG2  LYS  10           2HG      LYS  10  -8.821   1.208  -3.145
   69    HG3  LYS  10           1HG      LYS  10  -9.120   2.158  -4.600
   70    HD2  LYS  10           2HD      LYS  10 -10.528  -0.044  -5.249
   71    HD3  LYS  10           1HD      LYS  10 -10.653  -0.142  -3.492
   72    HE2  LYS  10           2HE      LYS  10 -12.550   1.169  -4.332
   73    HE3  LYS  10           1HE      LYS  10 -11.447   2.262  -3.475
   74    HZ1  LYS  10           3HZ      LYS  10 -10.612   3.114  -5.429
   75    HZ2  LYS  10           1HZ      LYS  10 -12.227   2.865  -5.866
   76    HZ3  LYS  10           2HZ      LYS  10 -11.041   1.752  -6.350
   77    H    ARG  11           H        ARG  11  -4.996   0.422  -5.792
   78    HA   ARG  11           HA       ARG  11  -4.569  -2.441  -6.369
   79    HB2  ARG  11           2HB      ARG  11  -3.360   0.147  -7.401
   80    HB3  ARG  11           1HB      ARG  11  -2.853  -1.440  -7.961
   81    HG2  ARG  11           2HG      ARG  11  -5.364  -1.874  -8.425
   82    HG3  ARG  11           1HG      ARG  11  -5.547  -0.124  -8.286
   83    HD2  ARG  11           2HD      ARG  11  -5.157  -0.482 -10.604
   84    HD3  ARG  11           1HD      ARG  11  -3.568  -0.003  -9.977
   85    HE   ARG  11           HE       ARG  11  -3.874  -2.857  -9.727
   86   HH11  ARG  11          1HH2      ARG  11  -3.425  -0.341 -12.084
   87   HH12  ARG  11          2HH2      ARG  11  -2.575  -1.349 -13.200
   88   HH21  ARG  11          1HH1      ARG  11  -2.792  -4.206 -11.207
   89   HH22  ARG  11          2HH1      ARG  11  -2.221  -3.549 -12.708
   90    H    GLY  12           H        GLY  12  -3.315  -0.086  -4.237
   91    HA2  GLY  12           2HA      GLY  12  -0.639  -1.247  -3.983
   92    HA3  GLY  12           1HA      GLY  12  -1.326   0.023  -2.969
   93    H    CYS  13           H        CYS  13  -3.785  -1.607  -2.452
   94    HA   CYS  13           HA       CYS  13  -3.124  -2.788   0.014
   95    HB2  CYS  13           2HB      CYS  13  -5.356  -2.753  -1.898
   96    HB3  CYS  13           1HB      CYS  13  -5.329  -4.195  -0.884
   97    H    GLY  14           H        GLY  14  -2.614  -4.891   0.655
   98    HA2  GLY  14           2HA      GLY  14  -2.696  -7.325  -0.455
   99    HA3  GLY  14           1HA      GLY  14  -1.397  -6.610  -1.417
  100    H    ARG  15           H        ARG  15  -0.871  -8.804   0.242
  101    HA   ARG  15           HA       ARG  15  -0.037  -8.430   2.870
  102    HB2  ARG  15           2HB      ARG  15   1.586 -10.212   2.388
  103    HB3  ARG  15           1HB      ARG  15   0.067 -10.534   1.557
  104    HG2  ARG  15           2HG      ARG  15   1.254  -9.193  -0.409
  105    HG3  ARG  15           1HG      ARG  15   2.719  -9.708   0.422
  106    HD2  ARG  15           2HD      ARG  15   2.471 -11.613  -0.830
  107    HD3  ARG  15           1HD      ARG  15   1.256 -12.041   0.392
  108    HE   ARG  15           HE       ARG  15   0.192 -10.295  -1.699
  109   HH11  ARG  15          1HH2      ARG  15   0.925 -13.557  -0.776
  110   HH12  ARG  15          2HH2      ARG  15  -0.281 -14.257  -1.795
  111   HH21  ARG  15          1HH1      ARG  15  -1.377 -11.205  -3.050
  112   HH22  ARG  15          2HH1      ARG  15  -1.584 -12.923  -3.090
  113    H    TRP  16           H        TRP  16   1.761  -7.498  -0.060
  114    HA   TRP  16           HA       TRP  16   4.185  -6.608   1.102
  115    HB2  TRP  16           2HB      TRP  16   3.506  -6.870  -1.334
  116    HB3  TRP  16           1HB      TRP  16   2.665  -5.326  -1.180
  117    HD1  TRP  16           HD       TRP  16   6.147  -6.875  -1.104
  118    HE1  TRP  16           1HE      TRP  16   7.869  -5.034  -1.494
  119    HE3  TRP  16           3HE      TRP  16   3.102  -2.760  -0.930
  120    HZ2  TRP  16           2HZ      TRP  16   7.968  -2.192  -1.740
  121    HZ3  TRP  16           3HZ      TRP  16   4.060  -0.506  -1.264
  122    HH2  TRP  16           HH       TRP  16   6.485  -0.222  -1.666
  123    H    CYS  17           H        CYS  17   1.397  -4.508   0.173
  124    HA   CYS  17           HA       CYS  17   2.344  -2.214   1.598
  125    HB2  CYS  17           2HB      CYS  17   0.604  -2.029  -0.086
  126    HB3  CYS  17           1HB      CYS  17  -0.433  -3.143   0.793
  127    H    ARG  18           H        ARG  18   0.080  -4.815   2.522
  128    HA   ARG  18           HA       ARG  18  -0.747  -4.032   5.058
  129    HB2  ARG  18           2HB      ARG  18  -1.047  -6.197   3.610
  130    HB3  ARG  18           1HB      ARG  18   0.319  -6.794   4.531
  131    HG2  ARG  18           2HG      ARG  18  -1.194  -5.844   6.560
  132    HG3  ARG  18           1HG      ARG  18  -2.468  -6.271   5.412
  133    HD2  ARG  18           2HD      ARG  18  -1.889  -8.208   6.874
  134    HD3  ARG  18           1HD      ARG  18  -1.479  -8.535   5.174
  135    HE   ARG  18           HE       ARG  18   0.678  -7.246   6.668
  136   HH11  ARG  18          1HH2      ARG  18  -0.780 -10.254   5.698
  137   HH12  ARG  18          2HH2      ARG  18   0.660 -11.173   5.962
  138   HH21  ARG  18          1HH1      ARG  18   2.546  -8.454   7.006
  139   HH22  ARG  18          2HH1      ARG  18   2.531 -10.160   6.725
  140    H    ASP  19           H        ASP  19   2.348  -5.611   4.230
  141    HA   ASP  19           HA       ASP  19   3.301  -5.276   7.019
  142    HB2  ASP  19           2HB      ASP  19   3.518  -7.251   5.138
  143    HB3  ASP  19           1HB      ASP  19   5.056  -6.410   4.925
  144    H    HIS  20           H        HIS  20   3.849  -3.897   3.814
  145    HA   HIS  20           HA       HIS  20   6.277  -2.447   4.795
  146    HB2  HIS  20           2HB      HIS  20   5.087  -2.889   2.038
  147    HB3  HIS  20           1HB      HIS  20   6.609  -2.064   2.352
  148    HD1  HIS  20           1HD      HIS  20   4.998  -5.481   2.839
  149    HD2  HIS  20           2HD      HIS  20   8.784  -3.780   2.565
  150    HE1  HIS  20           1HE      HIS  20   6.648  -7.403   2.788
  151    H    SER  21           H        SER  21   2.936  -1.756   4.452
  152    HA   SER  21           HA       SER  21   3.566   1.155   4.395
  153    HB2  SER  21           2HB      SER  21   2.455  -0.489   2.239
  154    HB3  SER  21           1HB      SER  21   1.470   0.921   2.601
  155    HG   SER  21           HG       SER  21   3.511   2.122   2.492
  156    H    ARG  22           H        ARG  22   1.692   2.502   4.937
  157    HA   ARG  22           HA       ARG  22  -0.435   1.051   6.490
  158    HB2  ARG  22           2HB      ARG  22   0.761   3.818   6.899
  159    HB3  ARG  22           1HB      ARG  22  -0.430   3.047   7.942
  160    HG2  ARG  22           2HG      ARG  22   2.375   2.004   7.417
  161    HG3  ARG  22           1HG      ARG  22   1.855   2.853   8.873
  162    HD2  ARG  22           2HD      ARG  22   0.950   0.965   9.750
  163    HD3  ARG  22           1HD      ARG  22   0.084   0.613   8.242
  164    HE   ARG  22           HE       ARG  22   3.009   0.136   8.252
  165   HH11  ARG  22          1HH2      ARG  22  -0.212  -1.163   8.512
  166   HH12  ARG  22          2HH2      ARG  22   0.255  -2.742   7.993
  167   HH21  ARG  22          1HH1      ARG  22   3.610  -1.929   7.583
  168   HH22  ARG  22          2HH1      ARG  22   2.411  -3.177   7.462
  169    H    CYS  23           H        CYS  23  -0.394   1.865   3.593
  170    HA   CYS  23           HA       CYS  23  -2.507   3.986   3.538
  171    HB2  CYS  23           2HB      CYS  23  -0.239   3.960   2.221
  172    HB3  CYS  23           1HB      CYS  23  -1.042   2.788   1.185
  173    H    CYS  24           H        CYS  24  -3.160   1.295   4.407
  174    HA   CYS  24           HA       CYS  24  -5.333   0.653   2.558
  175    HB2  CYS  24           2HB      CYS  24  -2.707  -0.571   2.331
  176    HB3  CYS  24           1HB      CYS  24  -3.933  -1.797   2.663
  177    HN1  NH2  25           2H       CYS  24  -6.125  -0.091   6.081
  178    HN2  NH2  25           1H       CYS  24  -5.943   1.253   5.056
  Start of MODEL    6
    1    H1   VAL   1           1HT      VAL   1  10.092  -0.222   3.142
    2    H2   VAL   1           2HT      VAL   1   9.227   1.197   3.473
    3    H3   VAL   1           3HT      VAL   1  10.799   1.289   2.852
    4    HA   VAL   1           HA       VAL   1   9.595   1.696   0.958
    5    HB   VAL   1           HB       VAL   1   9.714  -0.401  -0.336
    6   HG11  VAL   1          2HG1      VAL   1  11.807   0.781   1.073
    7   HG12  VAL   1          3HG1      VAL   1  11.962  -0.342  -0.280
    8   HG13  VAL   1          1HG1      VAL   1  12.019  -0.949   1.369
    9   HG21  VAL   1          1HG2      VAL   1   9.179  -2.380   0.620
   10   HG22  VAL   1          2HG2      VAL   1   9.023  -1.582   2.181
   11   HG23  VAL   1          3HG2      VAL   1  10.580  -2.247   1.690
   12    H    GLY   2           H        GLY   2   7.521   1.808  -0.016
   13    HA2  GLY   2           2HA      GLY   2   5.373   0.027   0.388
   14    HA3  GLY   2           1HA      GLY   2   5.255   1.220   1.660
   15    H    GLU   3           H        GLU   3   6.394   3.346  -0.205
   16    HA   GLU   3           HA       GLU   3   4.183   4.727  -0.993
   17    HB2  GLU   3           2HB      GLU   3   5.625   5.790  -2.681
   18    HB3  GLU   3           1HB      GLU   3   6.515   5.487  -1.193
   19    HG2  GLU   3           2HG      GLU   3   7.574   3.545  -2.141
   20    HG3  GLU   3           1HG      GLU   3   6.545   3.616  -3.571
   21    H    ARG   4           H        ARG   4   5.572   2.055  -2.865
   22    HA   ARG   4           HA       ARG   4   4.100   2.278  -5.253
   23    HB2  ARG   4           2HB      ARG   4   5.445   0.478  -5.534
   24    HB3  ARG   4           1HB      ARG   4   5.685   0.346  -3.801
   25    HG2  ARG   4           2HG      ARG   4   4.717  -1.705  -4.246
   26    HG3  ARG   4           1HG      ARG   4   3.272  -0.761  -3.882
   27    HD2  ARG   4           2HD      ARG   4   2.653  -1.707  -5.930
   28    HD3  ARG   4           1HD      ARG   4   3.412  -0.201  -6.484
   29    HE   ARG   4           HE       ARG   4   5.420  -2.236  -6.143
   30   HH11  ARG   4          1HH2      ARG   4   2.804  -1.267  -8.221
   31   HH12  ARG   4          2HH2      ARG   4   3.498  -1.974  -9.631
   32   HH21  ARG   4          1HH1      ARG   4   6.319  -3.169  -7.999
   33   HH22  ARG   4          2HH1      ARG   4   5.484  -3.055  -9.509
   34    H    CYS   5           H        CYS   5   3.083   1.235  -2.055
   35    HA   CYS   5           HA       CYS   5   0.574   0.016  -2.848
   36    HB2  CYS   5           2HB      CYS   5   1.552  -0.592  -0.763
   37    HB3  CYS   5           1HB      CYS   5   1.795   1.089  -0.295
   38    H    CYS   6           H        CYS   6   1.266   3.141  -1.173
   39    HA   CYS   6           HA       CYS   6  -1.375   4.198  -1.459
   40    HB2  CYS   6           2HB      CYS   6   1.202   5.804  -1.463
   41    HB3  CYS   6           1HB      CYS   6  -0.372   6.287  -0.837
   42    H    LYS   7           H        LYS   7   1.490   4.354  -3.584
   43    HA   LYS   7           HA       LYS   7   0.529   6.157  -5.559
   44    HB2  LYS   7           2HB      LYS   7   2.523   4.010  -5.278
   45    HB3  LYS   7           1HB      LYS   7   1.980   4.267  -6.936
   46    HG2  LYS   7           2HG      LYS   7   2.919   6.350  -7.070
   47    HG3  LYS   7           1HG      LYS   7   2.572   6.723  -5.379
   48    HD2  LYS   7           2HD      LYS   7   4.910   6.513  -5.381
   49    HD3  LYS   7           1HD      LYS   7   4.380   4.916  -4.857
   50    HE2  LYS   7           2HE      LYS   7   5.152   3.909  -6.759
   51    HE3  LYS   7           1HE      LYS   7   4.582   5.233  -7.793
   52    HZ1  LYS   7           3HZ      LYS   7   7.032   5.141  -7.648
   53    HZ2  LYS   7           1HZ      LYS   7   6.944   5.399  -5.968
   54    HZ3  LYS   7           2HZ      LYS   7   6.409   6.605  -7.054
   55    H    ASN   8           H        ASN   8  -0.317   2.829  -4.902
   56    HA   ASN   8           HA       ASN   8  -1.826   2.585  -7.458
   57    HB2  ASN   8           2HB      ASN   8  -0.523   0.826  -5.476
   58    HB3  ASN   8           1HB      ASN   8  -2.021   0.202  -6.132
   59   HD21  ASN   8          1HD2      ASN   8   1.267   0.810  -6.799
   60   HD22  ASN   8          2HD2      ASN   8   1.250   0.313  -8.415
   61    H    GLY   9           H        GLY   9  -2.348   3.163  -4.083
   62    HA2  GLY   9           2HA      GLY   9  -4.314   3.407  -2.827
   63    HA3  GLY   9           1HA      GLY   9  -5.143   3.632  -4.370
   64    H    LYS  10           H        LYS  10  -6.661   2.103  -4.794
   65    HA   LYS  10           HA       LYS  10  -7.082  -0.227  -3.211
   66    HB2  LYS  10           2HB      LYS  10  -8.628  -0.858  -5.068
   67    HB3  LYS  10           1HB      LYS  10  -8.816   0.824  -4.580
   68    HG2  LYS  10           2HG      LYS  10  -6.812   0.847  -6.572
   69    HG3  LYS  10           1HG      LYS  10  -8.056  -0.248  -7.175
   70    HD2  LYS  10           2HD      LYS  10  -9.347   2.029  -6.001
   71    HD3  LYS  10           1HD      LYS  10  -8.105   2.603  -7.109
   72    HE2  LYS  10           2HE      LYS  10 -10.101   2.313  -8.424
   73    HE3  LYS  10           1HE      LYS  10  -9.052   0.936  -8.822
   74    HZ1  LYS  10           3HZ      LYS  10 -10.280  -0.484  -7.488
   75    HZ2  LYS  10           1HZ      LYS  10 -11.491   0.496  -8.141
   76    HZ3  LYS  10           2HZ      LYS  10 -10.945   0.772  -6.560
   77    H    ARG  11           H        ARG  11  -4.943   0.308  -5.937
   78    HA   ARG  11           HA       ARG  11  -4.528  -2.544  -6.508
   79    HB2  ARG  11           2HB      ARG  11  -3.181   0.041  -7.330
   80    HB3  ARG  11           1HB      ARG  11  -2.663  -1.530  -7.924
   81    HG2  ARG  11           2HG      ARG  11  -4.831  -1.928  -8.926
   82    HG3  ARG  11           1HG      ARG  11  -5.488  -0.465  -8.195
   83    HD2  ARG  11           2HD      ARG  11  -4.694   0.814  -9.890
   84    HD3  ARG  11           1HD      ARG  11  -3.066   0.129  -9.716
   85    HE   ARG  11           HE       ARG  11  -4.919  -1.763 -10.934
   86   HH11  ARG  11          1HH2      ARG  11  -2.863   0.992 -11.492
   87   HH12  ARG  11          2HH2      ARG  11  -2.613   0.628 -13.162
   88   HH21  ARG  11          1HH1      ARG  11  -4.583  -2.233 -13.135
   89   HH22  ARG  11          2HH1      ARG  11  -3.584  -1.195 -14.093
   90    H    GLY  12           H        GLY  12  -3.436  -0.413  -4.101
   91    HA2  GLY  12           2HA      GLY  12  -0.824  -1.784  -3.802
   92    HA3  GLY  12           1HA      GLY  12  -1.316  -0.322  -2.956
   93    H    CYS  13           H        CYS  13  -3.994  -1.661  -2.303
   94    HA   CYS  13           HA       CYS  13  -3.280  -2.613   0.295
   95    HB2  CYS  13           2HB      CYS  13  -5.764  -2.969  -1.399
   96    HB3  CYS  13           1HB      CYS  13  -5.689  -3.287   0.328
   97    H    GLY  14           H        GLY  14  -1.872  -4.367   0.330
   98    HA2  GLY  14           2HA      GLY  14  -2.971  -6.990  -0.275
   99    HA3  GLY  14           1HA      GLY  14  -1.657  -6.539  -1.362
  100    H    ARG  15           H        ARG  15  -1.108  -8.683   0.114
  101    HA   ARG  15           HA       ARG  15  -0.176  -8.627   2.715
  102    HB2  ARG  15           2HB      ARG  15  -0.203 -10.573   1.212
  103    HB3  ARG  15           1HB      ARG  15   1.071  -9.852   0.229
  104    HG2  ARG  15           2HG      ARG  15   2.316 -11.268   1.575
  105    HG3  ARG  15           1HG      ARG  15   2.372  -9.776   2.510
  106    HD2  ARG  15           2HD      ARG  15   1.770 -11.451   4.106
  107    HD3  ARG  15           1HD      ARG  15   0.236 -10.663   3.696
  108    HE   ARG  15           HE       ARG  15  -0.438 -12.631   2.577
  109   HH11  ARG  15          1HH2      ARG  15   3.000 -12.614   3.064
  110   HH12  ARG  15          2HH2      ARG  15   3.197 -14.275   2.641
  111   HH21  ARG  15          1HH1      ARG  15  -0.177 -14.826   2.051
  112   HH22  ARG  15          2HH1      ARG  15   1.409 -15.531   2.078
  113    H    TRP  16           H        TRP  16   1.626  -7.418  -0.151
  114    HA   TRP  16           HA       TRP  16   4.043  -6.737   1.243
  115    HB2  TRP  16           2HB      TRP  16   3.661  -6.926  -1.236
  116    HB3  TRP  16           1HB      TRP  16   2.771  -5.402  -1.166
  117    HD1  TRP  16           HD       TRP  16   6.256  -6.873  -0.609
  118    HE1  TRP  16           1HE      TRP  16   7.994  -5.009  -0.828
  119    HE3  TRP  16           3HE      TRP  16   3.158  -2.829  -1.047
  120    HZ2  TRP  16           2HZ      TRP  16   8.079  -2.145  -1.169
  121    HZ3  TRP  16           3HZ      TRP  16   4.087  -0.562  -1.324
  122    HH2  TRP  16           HH       TRP  16   6.541  -0.208  -1.381
  123    H    CYS  17           H        CYS  17   1.501  -4.483   0.067
  124    HA   CYS  17           HA       CYS  17   2.356  -2.207   1.511
  125    HB2  CYS  17           2HB      CYS  17   0.667  -2.172  -0.250
  126    HB3  CYS  17           1HB      CYS  17  -0.417  -3.141   0.736
  127    H    ARG  18           H        ARG  18   0.061  -4.773   2.486
  128    HA   ARG  18           HA       ARG  18  -0.811  -3.836   4.969
  129    HB2  ARG  18           2HB      ARG  18  -1.070  -6.107   3.596
  130    HB3  ARG  18           1HB      ARG  18   0.139  -6.669   4.740
  131    HG2  ARG  18           2HG      ARG  18  -1.301  -5.945   6.615
  132    HG3  ARG  18           1HG      ARG  18  -2.517  -5.390   5.460
  133    HD2  ARG  18           2HD      ARG  18  -1.598  -8.186   5.052
  134    HD3  ARG  18           1HD      ARG  18  -2.533  -7.907   6.534
  135    HE   ARG  18           HE       ARG  18  -3.523  -7.609   3.777
  136   HH11  ARG  18          1HH2      ARG  18  -3.901  -6.743   7.127
  137   HH12  ARG  18          2HH2      ARG  18  -5.581  -6.378   6.978
  138   HH21  ARG  18          1HH1      ARG  18  -5.736  -7.155   3.587
  139   HH22  ARG  18          2HH1      ARG  18  -6.628  -6.614   4.968
  140    H    ASP  19           H        ASP  19   2.267  -5.597   4.361
  141    HA   ASP  19           HA       ASP  19   3.111  -5.018   7.151
  142    HB2  ASP  19           2HB      ASP  19   3.341  -7.207   5.596
  143    HB3  ASP  19           1HB      ASP  19   4.876  -6.420   5.208
  144    H    HIS  20           H        HIS  20   3.798  -3.916   3.894
  145    HA   HIS  20           HA       HIS  20   6.309  -2.592   4.792
  146    HB2  HIS  20           2HB      HIS  20   4.987  -2.978   2.089
  147    HB3  HIS  20           1HB      HIS  20   6.555  -2.214   2.323
  148    HD1  HIS  20           1HD      HIS  20   4.816  -5.554   2.909
  149    HD2  HIS  20           2HD      HIS  20   8.662  -4.009   2.568
  150    HE1  HIS  20           1HE      HIS  20   6.386  -7.546   2.873
  151    H    SER  21           H        SER  21   3.014  -1.746   3.814
  152    HA   SER  21           HA       SER  21   3.786   1.146   4.115
  153    HB2  SER  21           2HB      SER  21   2.956  -0.264   1.841
  154    HB3  SER  21           1HB      SER  21   1.523   0.605   2.370
  155    HG   SER  21           HG       SER  21   3.293   2.398   2.596
  156    H    ARG  22           H        ARG  22   2.721   1.960   5.893
  157    HA   ARG  22           HA       ARG  22   0.224   0.792   6.903
  158    HB2  ARG  22           2HB      ARG  22   1.640   3.418   7.540
  159    HB3  ARG  22           1HB      ARG  22   0.440   2.613   8.551
  160    HG2  ARG  22           2HG      ARG  22   2.511   0.715   7.970
  161    HG3  ARG  22           1HG      ARG  22   3.275   2.203   8.525
  162    HD2  ARG  22           2HD      ARG  22   2.736   0.698  10.434
  163    HD3  ARG  22           1HD      ARG  22   1.800   2.204  10.531
  164    HE   ARG  22           HE       ARG  22   0.255   0.420   8.978
  165   HH11  ARG  22          1HH2      ARG  22   1.587   0.541  12.185
  166   HH12  ARG  22          2HH2      ARG  22   0.282  -0.339  12.900
  167   HH21  ARG  22          1HH1      ARG  22  -1.478  -0.705   9.916
  168   HH22  ARG  22          2HH1      ARG  22  -1.465  -1.040  11.615
  169    H    CYS  23           H        CYS  23  -0.387   1.198   4.419
  170    HA   CYS  23           HA       CYS  23  -1.764   3.862   4.136
  171    HB2  CYS  23           2HB      CYS  23   0.318   2.900   2.711
  172    HB3  CYS  23           1HB      CYS  23  -0.982   2.116   1.826
  173    H    CYS  24           H        CYS  24  -1.905   0.354   3.579
  174    HA   CYS  24           HA       CYS  24  -4.800   0.554   2.830
  175    HB2  CYS  24           2HB      CYS  24  -2.490  -1.256   2.235
  176    HB3  CYS  24           1HB      CYS  24  -4.118  -1.930   2.152
  177    HN1  NH2  25           2H       CYS  24  -5.738  -1.991   5.284
  178    HN2  NH2  25           1H       CYS  24  -6.039  -1.560   3.671
  Start of MODEL    7
    1    H1   VAL   1           1HT      VAL   1  10.329   0.086   2.672
    2    H2   VAL   1           2HT      VAL   1  10.463   1.726   2.259
    3    H3   VAL   1           3HT      VAL   1  11.605   0.608   1.687
    4    HA   VAL   1           HA       VAL   1   9.901   1.316   0.005
    5    HB   VAL   1           HB       VAL   1  11.354  -0.837   0.170
    6   HG11  VAL   1          2HG1      VAL   1  10.271  -2.899   0.673
    7   HG12  VAL   1          3HG1      VAL   1   8.672  -2.162   0.614
    8   HG13  VAL   1          1HG1      VAL   1   9.750  -1.809   1.955
    9   HG21  VAL   1          1HG2      VAL   1  10.183  -0.044  -1.880
   10   HG22  VAL   1          2HG2      VAL   1   8.766  -0.979  -1.403
   11   HG23  VAL   1          3HG2      VAL   1  10.281  -1.798  -1.785
   12    H    GLY   2           H        GLY   2   7.650   1.071  -0.641
   13    HA2  GLY   2           2HA      GLY   2   5.536  -0.269   0.329
   14    HA3  GLY   2           1HA      GLY   2   5.793   0.844   1.655
   15    H    GLU   3           H        GLU   3   6.742   2.935  -0.390
   16    HA   GLU   3           HA       GLU   3   4.471   4.519  -0.637
   17    HB2  GLU   3           2HB      GLU   3   5.738   5.584  -2.547
   18    HB3  GLU   3           1HB      GLU   3   6.709   5.319  -1.104
   19    HG2  GLU   3           2HG      GLU   3   7.684   3.309  -2.066
   20    HG3  GLU   3           1HG      GLU   3   6.618   3.423  -3.464
   21    H    ARG   4           H        ARG   4   5.490   1.962  -2.850
   22    HA   ARG   4           HA       ARG   4   3.772   2.417  -5.032
   23    HB2  ARG   4           2HB      ARG   4   4.830   0.530  -5.669
   24    HB3  ARG   4           1HB      ARG   4   5.551   0.462  -4.070
   25    HG2  ARG   4           2HG      ARG   4   4.546  -1.608  -4.153
   26    HG3  ARG   4           1HG      ARG   4   3.245  -0.678  -3.421
   27    HD2  ARG   4           2HD      ARG   4   1.957  -0.712  -5.359
   28    HD3  ARG   4           1HD      ARG   4   3.376  -0.827  -6.420
   29    HE   ARG   4           HE       ARG   4   3.533  -3.170  -5.024
   30   HH11  ARG   4          1HH2      ARG   4   0.990  -1.600  -6.795
   31   HH12  ARG   4          2HH2      ARG   4   0.114  -3.063  -7.080
   32   HH21  ARG   4          1HH1      ARG   4   2.446  -5.087  -5.481
   33   HH22  ARG   4          2HH1      ARG   4   0.961  -5.040  -6.369
   34    H    CYS   5           H        CYS   5   2.981   1.240  -1.822
   35    HA   CYS   5           HA       CYS   5   0.483  -0.025  -2.430
   36    HB2  CYS   5           2HB      CYS   5   1.518  -0.437  -0.329
   37    HB3  CYS   5           1HB      CYS   5   1.683   1.286   0.017
   38    H    CYS   6           H        CYS   6   0.847   3.147  -0.766
   39    HA   CYS   6           HA       CYS   6  -1.825   4.019  -1.298
   40    HB2  CYS   6           2HB      CYS   6   0.564   5.858  -1.003
   41    HB3  CYS   6           1HB      CYS   6  -1.080   6.102  -0.410
   42    H    LYS   7           H        LYS   7   1.198   4.394  -3.152
   43    HA   LYS   7           HA       LYS   7   0.400   6.272  -5.095
   44    HB2  LYS   7           2HB      LYS   7   2.213   3.895  -4.966
   45    HB3  LYS   7           1HB      LYS   7   1.908   4.603  -6.551
   46    HG2  LYS   7           2HG      LYS   7   2.534   6.526  -4.376
   47    HG3  LYS   7           1HG      LYS   7   3.861   5.484  -4.888
   48    HD2  LYS   7           2HD      LYS   7   2.159   6.958  -6.906
   49    HD3  LYS   7           1HD      LYS   7   3.554   7.728  -6.153
   50    HE2  LYS   7           2HE      LYS   7   3.824   5.006  -7.444
   51    HE3  LYS   7           1HE      LYS   7   3.943   6.487  -8.411
   52    HZ1  LYS   7           3HZ      LYS   7   5.738   7.250  -7.159
   53    HZ2  LYS   7           1HZ      LYS   7   6.073   5.605  -7.348
   54    HZ3  LYS   7           2HZ      LYS   7   5.444   6.173  -5.880
   55    H    ASN   8           H        ASN   8  -0.380   2.855  -4.804
   56    HA   ASN   8           HA       ASN   8  -1.996   2.965  -7.311
   57    HB2  ASN   8           2HB      ASN   8  -0.417   0.976  -5.817
   58    HB3  ASN   8           1HB      ASN   8  -1.931   0.361  -6.447
   59   HD21  ASN   8          1HD2      ASN   8   1.270   1.072  -7.300
   60   HD22  ASN   8          2HD2      ASN   8   1.081   0.972  -8.978
   61    H    GLY   9           H        GLY   9  -2.339   2.886  -3.871
   62    HA2  GLY   9           2HA      GLY   9  -4.224   2.696  -2.495
   63    HA3  GLY   9           1HA      GLY   9  -5.157   3.193  -3.905
   64    H    LYS  10           H        LYS  10  -6.583   1.694  -4.661
   65    HA   LYS  10           HA       LYS  10  -6.984  -0.862  -3.515
   66    HB2  LYS  10           2HB      LYS  10  -7.702   0.450  -6.136
   67    HB3  LYS  10           1HB      LYS  10  -8.202  -1.207  -5.800
   68    HG2  LYS  10           2HG      LYS  10  -8.741   1.026  -3.834
   69    HG3  LYS  10           1HG      LYS  10  -9.852   0.676  -5.158
   70    HD2  LYS  10           2HD      LYS  10  -9.088  -1.780  -3.837
   71    HD3  LYS  10           1HD      LYS  10  -9.721  -0.634  -2.656
   72    HE2  LYS  10           2HE      LYS  10 -11.248  -0.788  -5.197
   73    HE3  LYS  10           1HE      LYS  10 -11.321  -2.234  -4.171
   74    HZ1  LYS  10           3HZ      LYS  10 -11.628   0.487  -3.038
   75    HZ2  LYS  10           1HZ      LYS  10 -12.069  -0.999  -2.345
   76    HZ3  LYS  10           2HZ      LYS  10 -12.958  -0.369  -3.644
   77    H    ARG  11           H        ARG  11  -4.867   0.150  -6.132
   78    HA   ARG  11           HA       ARG  11  -4.214  -2.601  -6.951
   79    HB2  ARG  11           2HB      ARG  11  -3.156   0.151  -7.635
   80    HB3  ARG  11           1HB      ARG  11  -2.595  -1.327  -8.412
   81    HG2  ARG  11           2HG      ARG  11  -4.736  -1.751  -9.362
   82    HG3  ARG  11           1HG      ARG  11  -5.521  -0.574  -8.315
   83    HD2  ARG  11           2HD      ARG  11  -5.332   0.599 -10.363
   84    HD3  ARG  11           1HD      ARG  11  -3.906   1.149  -9.454
   85    HE   ARG  11           HE       ARG  11  -3.603  -1.279 -11.142
   86   HH11  ARG  11          1HH2      ARG  11  -2.989   2.115 -10.639
   87   HH12  ARG  11          2HH2      ARG  11  -1.713   2.172 -11.795
   88   HH21  ARG  11          1HH1      ARG  11  -1.952  -1.172 -12.671
   89   HH22  ARG  11          2HH1      ARG  11  -1.134   0.325 -12.952
   90    H    GLY  12           H        GLY  12  -3.264  -0.583  -4.428
   91    HA2  GLY  12           2HA      GLY  12  -0.550  -1.808  -4.257
   92    HA3  GLY  12           1HA      GLY  12  -1.019  -0.306  -3.470
   93    H    CYS  13           H        CYS  13  -3.655  -1.578  -2.628
   94    HA   CYS  13           HA       CYS  13  -2.923  -2.423  -0.008
   95    HB2  CYS  13           2HB      CYS  13  -5.367  -2.681  -1.762
   96    HB3  CYS  13           1HB      CYS  13  -5.357  -3.357  -0.139
   97    H    GLY  14           H        GLY  14  -2.429  -4.436   0.836
   98    HA2  GLY  14           2HA      GLY  14  -3.124  -6.968   0.116
   99    HA3  GLY  14           1HA      GLY  14  -1.840  -6.612  -1.043
  100    H    ARG  15           H        ARG  15  -1.149  -8.625   0.524
  101    HA   ARG  15           HA       ARG  15  -0.167  -8.197   3.123
  102    HB2  ARG  15           2HB      ARG  15   0.556 -10.325   2.819
  103    HB3  ARG  15           1HB      ARG  15  -0.169 -10.215   1.223
  104    HG2  ARG  15           2HG      ARG  15   1.860 -10.171   0.179
  105    HG3  ARG  15           1HG      ARG  15   2.574  -9.110   1.390
  106    HD2  ARG  15           2HD      ARG  15   1.939 -11.963   2.100
  107    HD3  ARG  15           1HD      ARG  15   3.447 -11.559   1.259
  108    HE   ARG  15           HE       ARG  15   2.703 -10.686   3.996
  109   HH11  ARG  15          1HH2      ARG  15   4.804 -10.367   1.227
  110   HH12  ARG  15          2HH2      ARG  15   6.085  -9.646   2.129
  111   HH21  ARG  15          1HH1      ARG  15   4.377  -9.696   5.155
  112   HH22  ARG  15          2HH1      ARG  15   5.838  -9.251   4.345
  113    H    TRP  16           H        TRP  16   1.458  -7.475   0.020
  114    HA   TRP  16           HA       TRP  16   4.005  -6.641   1.009
  115    HB2  TRP  16           2HB      TRP  16   3.175  -6.950  -1.384
  116    HB3  TRP  16           1HB      TRP  16   2.387  -5.378  -1.220
  117    HD1  TRP  16           HD       TRP  16   5.804  -7.027  -1.438
  118    HE1  TRP  16           1HE      TRP  16   7.573  -5.234  -1.877
  119    HE3  TRP  16           3HE      TRP  16   2.964  -2.816  -0.877
  120    HZ2  TRP  16           2HZ      TRP  16   7.774  -2.369  -2.007
  121    HZ3  TRP  16           3HZ      TRP  16   3.961  -0.581  -1.169
  122    HH2  TRP  16           HH       TRP  16   6.359  -0.348  -1.734
  123    H    CYS  17           H        CYS  17   1.222  -4.536   0.162
  124    HA   CYS  17           HA       CYS  17   2.245  -2.204   1.463
  125    HB2  CYS  17           2HB      CYS  17   0.468  -2.089  -0.164
  126    HB3  CYS  17           1HB      CYS  17  -0.544  -3.163   0.783
  127    H    ARG  18           H        ARG  18  -0.046  -4.701   2.612
  128    HA   ARG  18           HA       ARG  18  -0.641  -3.710   5.174
  129    HB2  ARG  18           2HB      ARG  18  -1.372  -5.839   3.938
  130    HB3  ARG  18           1HB      ARG  18   0.081  -6.583   4.589
  131    HG2  ARG  18           2HG      ARG  18  -0.822  -5.586   6.876
  132    HG3  ARG  18           1HG      ARG  18  -2.368  -5.631   6.028
  133    HD2  ARG  18           2HD      ARG  18  -2.103  -7.745   7.202
  134    HD3  ARG  18           1HD      ARG  18  -1.896  -8.060   5.468
  135    HE   ARG  18           HE       ARG  18   0.677  -7.468   6.330
  136   HH11  ARG  18          1HH2      ARG  18  -1.808  -9.683   7.370
  137   HH12  ARG  18          2HH2      ARG  18  -0.686 -10.877   7.914
  138   HH21  ARG  18          1HH1      ARG  18   2.139  -9.058   7.024
  139   HH22  ARG  18          2HH1      ARG  18   1.536 -10.533   7.708
  140    H    ASP  19           H        ASP  19   2.270  -5.505   4.153
  141    HA   ASP  19           HA       ASP  19   3.409  -5.298   6.872
  142    HB2  ASP  19           2HB      ASP  19   3.552  -7.068   4.666
  143    HB3  ASP  19           1HB      ASP  19   5.172  -6.405   4.878
  144    H    HIS  20           H        HIS  20   3.947  -3.931   3.629
  145    HA   HIS  20           HA       HIS  20   6.354  -2.468   4.643
  146    HB2  HIS  20           2HB      HIS  20   5.206  -2.819   1.856
  147    HB3  HIS  20           1HB      HIS  20   6.772  -2.114   2.238
  148    HD1  HIS  20           1HD      HIS  20   4.912  -5.422   2.619
  149    HD2  HIS  20           2HD      HIS  20   8.812  -3.997   2.377
  150    HE1  HIS  20           1HE      HIS  20   6.416  -7.457   2.501
  151    H    SER  21           H        SER  21   3.036  -1.859   4.271
  152    HA   SER  21           HA       SER  21   3.543   1.085   4.003
  153    HB2  SER  21           2HB      SER  21   1.606  -0.711   2.542
  154    HB3  SER  21           1HB      SER  21   1.540   1.037   2.465
  155    HG   SER  21           HG       SER  21   3.444   1.067   1.400
  156    H    ARG  22           H        ARG  22   2.544   2.131   5.680
  157    HA   ARG  22           HA       ARG  22   0.270   0.799   7.087
  158    HB2  ARG  22           2HB      ARG  22   2.166   3.088   7.677
  159    HB3  ARG  22           1HB      ARG  22   0.720   2.819   8.652
  160    HG2  ARG  22           2HG      ARG  22   1.961   0.287   8.355
  161    HG3  ARG  22           1HG      ARG  22   3.244   1.430   8.759
  162    HD2  ARG  22           2HD      ARG  22   0.934   2.006  10.386
  163    HD3  ARG  22           1HD      ARG  22   1.353   0.292  10.547
  164    HE   ARG  22           HE       ARG  22   3.748   1.091  10.910
  165   HH11  ARG  22          1HH2      ARG  22   0.999   3.128  11.660
  166   HH12  ARG  22          2HH2      ARG  22   1.888   4.112  12.762
  167   HH21  ARG  22          1HH1      ARG  22   4.870   2.364  12.381
  168   HH22  ARG  22          2HH1      ARG  22   4.078   3.684  13.175
  169    H    CYS  23           H        CYS  23  -0.638   1.390   4.733
  170    HA   CYS  23           HA       CYS  23  -2.530   3.590   5.046
  171    HB2  CYS  23           2HB      CYS  23  -0.862   5.062   4.422
  172    HB3  CYS  23           1HB      CYS  23   0.080   3.812   3.635
  173    H    CYS  24           H        CYS  24  -3.901   1.692   4.621
  174    HA   CYS  24           HA       CYS  24  -4.794   1.390   1.930
  175    HB2  CYS  24           2HB      CYS  24  -2.401   0.017   2.492
  176    HB3  CYS  24           1HB      CYS  24  -3.652  -1.226   2.508
  177    HN1  NH2  25           2H       CYS  24  -7.484  -0.209   3.576
  178    HN2  NH2  25           1H       CYS  24  -6.964   0.842   2.350
  Start of MODEL    8
    1    H1   VAL   1           1HT      VAL   1  11.581  -0.333   1.845
    2    H2   VAL   1           2HT      VAL   1  10.096  -0.930   2.415
    3    H3   VAL   1           3HT      VAL   1  10.592   0.644   2.802
    4    HA   VAL   1           HA       VAL   1  10.103   1.488   0.740
    5    HB   VAL   1           HB       VAL   1   9.904  -0.163  -1.220
    6   HG11  VAL   1          2HG1      VAL   1  12.623  -0.368   0.040
    7   HG12  VAL   1          3HG1      VAL   1  11.989   1.205  -0.437
    8   HG13  VAL   1          1HG1      VAL   1  12.190  -0.061  -1.640
    9   HG21  VAL   1          1HG2      VAL   1  10.906  -2.370  -0.922
   10   HG22  VAL   1          2HG2      VAL   1   9.565  -2.193   0.199
   11   HG23  VAL   1          3HG2      VAL   1  11.225  -2.036   0.773
   12    H    GLY   2           H        GLY   2   7.943   2.050   0.557
   13    HA2  GLY   2           2HA      GLY   2   5.882  -0.061   0.531
   14    HA3  GLY   2           1HA      GLY   2   5.818   1.037   1.896
   15    H    GLU   3           H        GLU   3   6.940   2.346  -1.125
   16    HA   GLU   3           HA       GLU   3   4.885   4.354  -1.195
   17    HB2  GLU   3           2HB      GLU   3   5.977   4.925  -3.360
   18    HB3  GLU   3           1HB      GLU   3   7.154   4.667  -2.074
   19    HG2  GLU   3           2HG      GLU   3   7.509   2.349  -2.873
   20    HG3  GLU   3           1HG      GLU   3   6.350   2.621  -4.168
   21    H    ARG   4           H        ARG   4   5.352   1.366  -3.025
   22    HA   ARG   4           HA       ARG   4   3.435   1.585  -5.035
   23    HB2  ARG   4           2HB      ARG   4   4.176  -0.803  -3.328
   24    HB3  ARG   4           1HB      ARG   4   3.323  -0.902  -4.865
   25    HG2  ARG   4           2HG      ARG   4   6.104   0.217  -4.426
   26    HG3  ARG   4           1HG      ARG   4   5.689  -1.286  -5.231
   27    HD2  ARG   4           2HD      ARG   4   5.186  -0.237  -7.191
   28    HD3  ARG   4           1HD      ARG   4   4.302   1.058  -6.367
   29    HE   ARG   4           HE       ARG   4   6.315   2.314  -6.239
   30   HH11  ARG   4          1HH2      ARG   4   6.932  -1.002  -7.102
   31   HH12  ARG   4          2HH2      ARG   4   8.611  -0.742  -7.395
   32   HH21  ARG   4          1HH1      ARG   4   8.501   2.664  -6.638
   33   HH22  ARG   4          2HH1      ARG   4   9.504   1.337  -7.132
   34    H    CYS   5           H        CYS   5   2.824   1.016  -1.587
   35    HA   CYS   5           HA       CYS   5   0.138   0.049  -1.860
   36    HB2  CYS   5           2HB      CYS   5   1.524  -0.150   0.177
   37    HB3  CYS   5           1HB      CYS   5   1.462   1.601   0.388
   38    H    CYS   6           H        CYS   6   0.936   3.289  -0.509
   39    HA   CYS   6           HA       CYS   6  -1.628   4.398  -1.061
   40    HB2  CYS   6           2HB      CYS   6   0.805   5.158   0.140
   41    HB3  CYS   6           1HB      CYS   6   0.505   6.363  -1.110
   42    H    LYS   7           H        LYS   7   1.359   4.373  -3.014
   43    HA   LYS   7           HA       LYS   7   0.639   6.172  -5.067
   44    HB2  LYS   7           2HB      LYS   7   2.273   3.644  -4.915
   45    HB3  LYS   7           1HB      LYS   7   2.100   4.498  -6.448
   46    HG2  LYS   7           2HG      LYS   7   2.782   6.218  -4.142
   47    HG3  LYS   7           1HG      LYS   7   4.029   5.057  -4.593
   48    HD2  LYS   7           2HD      LYS   7   2.670   6.938  -6.542
   49    HD3  LYS   7           1HD      LYS   7   4.241   7.244  -5.800
   50    HE2  LYS   7           2HE      LYS   7   5.093   5.108  -6.780
   51    HE3  LYS   7           1HE      LYS   7   3.536   4.904  -7.609
   52    HZ1  LYS   7           3HZ      LYS   7   3.942   7.314  -8.379
   53    HZ2  LYS   7           1HZ      LYS   7   4.786   6.069  -9.150
   54    HZ3  LYS   7           2HZ      LYS   7   5.565   7.009  -7.977
   55    H    ASN   8           H        ASN   8  -0.197   2.754  -4.689
   56    HA   ASN   8           HA       ASN   8  -1.806   2.815  -7.180
   57    HB2  ASN   8           2HB      ASN   8  -0.506   0.832  -5.423
   58    HB3  ASN   8           1HB      ASN   8  -2.021   0.312  -6.125
   59   HD21  ASN   8          1HD2      ASN   8   1.279   0.581  -6.746
   60   HD22  ASN   8          2HD2      ASN   8   1.211   0.386  -8.423
   61    H    GLY   9           H        GLY   9  -2.266   2.948  -3.730
   62    HA2  GLY   9           2HA      GLY   9  -4.236   3.132  -2.456
   63    HA3  GLY   9           1HA      GLY   9  -5.075   3.510  -3.961
   64    H    LYS  10           H        LYS  10  -6.618   2.045  -4.497
   65    HA   LYS  10           HA       LYS  10  -7.096  -0.406  -3.159
   66    HB2  LYS  10           2HB      LYS  10  -8.449  -0.906  -5.269
   67    HB3  LYS  10           1HB      LYS  10  -8.815   0.620  -4.470
   68    HG2  LYS  10           2HG      LYS  10  -8.356   1.714  -6.384
   69    HG3  LYS  10           1HG      LYS  10  -6.697   1.126  -6.311
   70    HD2  LYS  10           2HD      LYS  10  -7.064  -0.256  -8.044
   71    HD3  LYS  10           1HD      LYS  10  -8.411  -1.010  -7.195
   72    HE2  LYS  10           2HE      LYS  10  -8.742   1.663  -8.553
   73    HE3  LYS  10           1HE      LYS  10  -8.924   0.147  -9.458
   74    HZ1  LYS  10           3HZ      LYS  10 -10.263   0.479  -6.851
   75    HZ2  LYS  10           1HZ      LYS  10 -10.672  -0.538  -8.137
   76    HZ3  LYS  10           2HZ      LYS  10 -10.972   1.129  -8.253
   77    H    ARG  11           H        ARG  11  -4.990   0.310  -5.892
   78    HA   ARG  11           HA       ARG  11  -4.450  -2.500  -6.527
   79    HB2  ARG  11           2HB      ARG  11  -3.190   0.144  -7.330
   80    HB3  ARG  11           1HB      ARG  11  -2.723  -1.409  -8.014
   81    HG2  ARG  11           2HG      ARG  11  -5.519  -1.350  -8.175
   82    HG3  ARG  11           1HG      ARG  11  -4.976   0.253  -8.678
   83    HD2  ARG  11           2HD      ARG  11  -3.151  -1.481  -9.913
   84    HD3  ARG  11           1HD      ARG  11  -4.721  -2.285 -10.095
   85    HE   ARG  11           HE       ARG  11  -5.564  -0.360 -11.250
   86   HH11  ARG  11          1HH2      ARG  11  -2.293   0.068 -10.132
   87   HH12  ARG  11          2HH2      ARG  11  -1.966   1.382 -11.194
   88   HH21  ARG  11          1HH1      ARG  11  -5.132   1.384 -12.644
   89   HH22  ARG  11          2HH1      ARG  11  -3.575   2.139 -12.616
   90    H    GLY  12           H        GLY  12  -3.285  -0.186  -4.278
   91    HA2  GLY  12           2HA      GLY  12  -0.651  -1.423  -3.926
   92    HA3  GLY  12           1HA      GLY  12  -1.323  -0.103  -2.962
   93    H    CYS  13           H        CYS  13  -3.864  -1.657  -2.513
   94    HA   CYS  13           HA       CYS  13  -3.295  -2.824  -0.001
   95    HB2  CYS  13           2HB      CYS  13  -5.507  -2.765  -1.963
   96    HB3  CYS  13           1HB      CYS  13  -5.548  -4.138  -0.853
   97    H    GLY  14           H        GLY  14  -2.163  -4.616   0.485
   98    HA2  GLY  14           2HA      GLY  14  -2.555  -7.197  -0.533
   99    HA3  GLY  14           1HA      GLY  14  -1.246  -6.500  -1.489
  100    H    ARG  15           H        ARG  15  -0.743  -8.684   0.195
  101    HA   ARG  15           HA       ARG  15   0.035  -8.271   2.836
  102    HB2  ARG  15           2HB      ARG  15   1.894  -9.956   2.254
  103    HB3  ARG  15           1HB      ARG  15   0.243 -10.443   1.888
  104    HG2  ARG  15           2HG      ARG  15   0.755 -10.676  -0.289
  105    HG3  ARG  15           1HG      ARG  15   1.325  -9.014  -0.370
  106    HD2  ARG  15           2HD      ARG  15   3.156 -10.540  -0.980
  107    HD3  ARG  15           1HD      ARG  15   3.530  -9.785   0.584
  108    HE   ARG  15           HE       ARG  15   1.991 -12.225   0.925
  109   HH11  ARG  15          1HH2      ARG  15   5.165 -10.954   0.300
  110   HH12  ARG  15          2HH2      ARG  15   5.985 -12.327   0.953
  111   HH21  ARG  15          1HH1      ARG  15   3.071 -14.032   1.775
  112   HH22  ARG  15          2HH1      ARG  15   4.800 -14.075   1.783
  113    H    TRP  16           H        TRP  16   1.917  -7.391  -0.072
  114    HA   TRP  16           HA       TRP  16   4.299  -6.487   1.181
  115    HB2  TRP  16           2HB      TRP  16   3.720  -6.777  -1.292
  116    HB3  TRP  16           1HB      TRP  16   2.906  -5.214  -1.193
  117    HD1  TRP  16           HD       TRP  16   6.349  -6.828  -0.953
  118    HE1  TRP  16           1HE      TRP  16   8.137  -5.034  -1.239
  119    HE3  TRP  16           3HE      TRP  16   3.416  -2.656  -0.932
  120    HZ2  TRP  16           2HZ      TRP  16   8.326  -2.190  -1.443
  121    HZ3  TRP  16           3HZ      TRP  16   4.430  -0.419  -1.177
  122    HH2  TRP  16           HH       TRP  16   6.881  -0.177  -1.431
  123    H    CYS  17           H        CYS  17   1.544  -4.424   0.103
  124    HA   CYS  17           HA       CYS  17   2.410  -2.087   1.505
  125    HB2  CYS  17           2HB      CYS  17   0.792  -1.721  -0.125
  126    HB3  CYS  17           1HB      CYS  17  -0.146  -3.119   0.343
  127    H    ARG  18           H        ARG  18   0.170  -4.677   2.436
  128    HA   ARG  18           HA       ARG  18  -0.743  -3.644   4.909
  129    HB2  ARG  18           2HB      ARG  18  -1.118  -5.917   3.527
  130    HB3  ARG  18           1HB      ARG  18   0.018  -6.531   4.724
  131    HG2  ARG  18           2HG      ARG  18  -1.423  -5.655   6.536
  132    HG3  ARG  18           1HG      ARG  18  -2.575  -5.079   5.334
  133    HD2  ARG  18           2HD      ARG  18  -1.794  -7.966   5.173
  134    HD3  ARG  18           1HD      ARG  18  -2.855  -7.478   6.508
  135    HE   ARG  18           HE       ARG  18  -3.625  -6.392   3.876
  136   HH11  ARG  18          1HH2      ARG  18  -3.936  -8.985   6.177
  137   HH12  ARG  18          2HH2      ARG  18  -5.507  -9.453   5.632
  138   HH21  ARG  18          1HH1      ARG  18  -5.707  -6.992   3.189
  139   HH22  ARG  18          2HH1      ARG  18  -6.515  -8.318   3.953
  140    H    ASP  19           H        ASP  19   2.247  -5.463   4.209
  141    HA   ASP  19           HA       ASP  19   3.167  -5.208   7.012
  142    HB2  ASP  19           2HB      ASP  19   3.321  -7.175   5.189
  143    HB3  ASP  19           1HB      ASP  19   4.825  -6.346   4.799
  144    H    HIS  20           H        HIS  20   3.968  -3.917   3.797
  145    HA   HIS  20           HA       HIS  20   6.304  -2.416   4.914
  146    HB2  HIS  20           2HB      HIS  20   5.317  -2.913   2.085
  147    HB3  HIS  20           1HB      HIS  20   6.840  -2.146   2.508
  148    HD1  HIS  20           1HD      HIS  20   5.063  -5.504   2.878
  149    HD2  HIS  20           2HD      HIS  20   8.912  -3.924   2.937
  150    HE1  HIS  20           1HE      HIS  20   6.652  -7.480   2.921
  151    H    SER  21           H        SER  21   3.008  -1.790   4.316
  152    HA   SER  21           HA       SER  21   3.628   1.110   3.880
  153    HB2  SER  21           2HB      SER  21   1.474  -0.579   2.586
  154    HB3  SER  21           1HB      SER  21   1.789   1.108   2.255
  155    HG   SER  21           HG       SER  21   4.075   0.037   1.872
  156    H    ARG  22           H        ARG  22   1.786   2.520   4.398
  157    HA   ARG  22           HA       ARG  22  -0.099   1.407   6.452
  158    HB2  ARG  22           2HB      ARG  22   1.995   3.456   6.593
  159    HB3  ARG  22           1HB      ARG  22   0.421   4.082   7.071
  160    HG2  ARG  22           2HG      ARG  22   0.276   1.856   8.469
  161    HG3  ARG  22           1HG      ARG  22   2.032   1.878   8.312
  162    HD2  ARG  22           2HD      ARG  22   1.435   3.042  10.380
  163    HD3  ARG  22           1HD      ARG  22   2.003   4.252   9.223
  164    HE   ARG  22           HE       ARG  22  -0.843   3.762   9.958
  165   HH11  ARG  22          1HH2      ARG  22   1.557   5.556   8.138
  166   HH12  ARG  22          2HH2      ARG  22   0.470   6.840   7.765
  167   HH21  ARG  22          1HH1      ARG  22  -2.230   5.454   9.443
  168   HH22  ARG  22          2HH1      ARG  22  -1.666   6.783   8.493
  169    H    CYS  23           H        CYS  23  -0.875   1.576   3.818
  170    HA   CYS  23           HA       CYS  23  -2.745   3.906   3.815
  171    HB2  CYS  23           2HB      CYS  23  -0.605   4.344   2.527
  172    HB3  CYS  23           1HB      CYS  23  -1.036   3.002   1.472
  173    H    CYS  24           H        CYS  24  -3.316   1.182   4.459
  174    HA   CYS  24           HA       CYS  24  -5.418   0.573   2.521
  175    HB2  CYS  24           2HB      CYS  24  -2.754  -0.567   2.298
  176    HB3  CYS  24           1HB      CYS  24  -3.951  -1.837   2.552
  177    HN1  NH2  25           2H       CYS  24  -6.411  -0.456   5.866
  178    HN2  NH2  25           1H       CYS  24  -6.369   0.899   4.844
  Start of MODEL    9
    1    H1   VAL   1           1HT      VAL   1  10.687   1.746   1.271
    2    H2   VAL   1           2HT      VAL   1  10.211   2.089  -0.324
    3    H3   VAL   1           3HT      VAL   1  11.463   0.985  -0.028
    4    HA   VAL   1           HA       VAL   1   9.495  -0.244  -0.589
    5    HB   VAL   1           HB       VAL   1   9.329  -0.801   2.254
    6   HG11  VAL   1          2HG1      VAL   1  10.872  -2.215   0.048
    7   HG12  VAL   1          3HG1      VAL   1   9.143  -2.406   0.347
    8   HG13  VAL   1          1HG1      VAL   1  10.307  -2.923   1.567
    9   HG21  VAL   1          1HG2      VAL   1  11.819  -1.257   2.577
   10   HG22  VAL   1          2HG2      VAL   1  11.355   0.441   2.636
   11   HG23  VAL   1          3HG2      VAL   1  12.114  -0.215   1.185
   12    H    GLY   2           H        GLY   2   7.294  -0.886   0.263
   13    HA2  GLY   2           2HA      GLY   2   5.112  -0.386   0.934
   14    HA3  GLY   2           1HA      GLY   2   5.787   0.834   1.985
   15    H    GLU   3           H        GLU   3   7.021   2.451  -0.115
   16    HA   GLU   3           HA       GLU   3   5.233   4.406  -0.713
   17    HB2  GLU   3           2HB      GLU   3   6.712   4.870  -2.684
   18    HB3  GLU   3           1HB      GLU   3   7.616   4.477  -1.218
   19    HG2  GLU   3           2HG      GLU   3   7.351   1.995  -2.188
   20    HG3  GLU   3           1HG      GLU   3   7.253   2.881  -3.709
   21    H    ARG   4           H        ARG   4   5.570   1.460  -2.656
   22    HA   ARG   4           HA       ARG   4   3.944   2.185  -4.855
   23    HB2  ARG   4           2HB      ARG   4   4.241  -0.535  -3.568
   24    HB3  ARG   4           1HB      ARG   4   3.814  -0.212  -5.243
   25    HG2  ARG   4           2HG      ARG   4   6.466   0.344  -3.887
   26    HG3  ARG   4           1HG      ARG   4   6.134  -0.769  -5.199
   27    HD2  ARG   4           2HD      ARG   4   5.215   1.687  -6.162
   28    HD3  ARG   4           1HD      ARG   4   6.748   2.063  -5.358
   29    HE   ARG   4           HE       ARG   4   6.403   0.322  -7.695
   30   HH11  ARG   4          1HH2      ARG   4   8.414   1.194  -4.970
   31   HH12  ARG   4          2HH2      ARG   4   9.850   0.537  -5.672
   32   HH21  ARG   4          1HH1      ARG   4   8.269  -0.544  -8.580
   33   HH22  ARG   4          2HH1      ARG   4   9.769  -0.449  -7.720
   34    H    CYS   5           H        CYS   5   2.970   1.165  -1.611
   35    HA   CYS   5           HA       CYS   5   0.332   0.263  -2.222
   36    HB2  CYS   5           2HB      CYS   5   1.482  -0.138  -0.107
   37    HB3  CYS   5           1HB      CYS   5   1.465   1.587   0.256
   38    H    CYS   6           H        CYS   6   0.892   3.354  -0.477
   39    HA   CYS   6           HA       CYS   6  -1.603   4.509  -1.043
   40    HB2  CYS   6           2HB      CYS   6   0.903   5.260   0.066
   41    HB3  CYS   6           1HB      CYS   6   0.462   6.522  -1.083
   42    H    LYS   7           H        LYS   7   1.302   4.443  -3.072
   43    HA   LYS   7           HA       LYS   7   0.499   6.324  -5.065
   44    HB2  LYS   7           2HB      LYS   7   2.329   3.962  -4.850
   45    HB3  LYS   7           1HB      LYS   7   2.029   4.637  -6.451
   46    HG2  LYS   7           2HG      LYS   7   2.823   6.397  -4.130
   47    HG3  LYS   7           1HG      LYS   7   4.033   5.579  -5.113
   48    HD2  LYS   7           2HD      LYS   7   1.890   7.424  -6.211
   49    HD3  LYS   7           1HD      LYS   7   3.557   7.900  -5.901
   50    HE2  LYS   7           2HE      LYS   7   4.308   6.075  -7.480
   51    HE3  LYS   7           1HE      LYS   7   2.610   5.812  -7.899
   52    HZ1  LYS   7           3HZ      LYS   7   4.200   8.286  -8.258
   53    HZ2  LYS   7           1HZ      LYS   7   2.508   8.288  -8.328
   54    HZ3  LYS   7           2HZ      LYS   7   3.405   7.375  -9.445
   55    H    ASN   8           H        ASN   8  -0.142   2.872  -4.689
   56    HA   ASN   8           HA       ASN   8  -1.673   2.802  -7.224
   57    HB2  ASN   8           2HB      ASN   8  -0.269   0.944  -5.417
   58    HB3  ASN   8           1HB      ASN   8  -1.730   0.294  -6.134
   59   HD21  ASN   8          1HD2      ASN   8   1.545   0.702  -6.690
   60   HD22  ASN   8          2HD2      ASN   8   1.531   0.532  -8.378
   61    H    GLY   9           H        GLY   9  -2.249   2.854  -3.773
   62    HA2  GLY   9           2HA      GLY   9  -4.276   2.960  -2.585
   63    HA3  GLY   9           1HA      GLY   9  -5.070   3.299  -4.116
   64    H    LYS  10           H        LYS  10  -6.482   1.767  -4.791
   65    HA   LYS  10           HA       LYS  10  -7.055  -0.635  -3.412
   66    HB2  LYS  10           2HB      LYS  10  -7.619   0.564  -6.092
   67    HB3  LYS  10           1HB      LYS  10  -7.963  -1.154  -5.908
   68    HG2  LYS  10           2HG      LYS  10  -8.894   0.609  -3.701
   69    HG3  LYS  10           1HG      LYS  10  -9.742   0.773  -5.239
   70    HD2  LYS  10           2HD      LYS  10  -9.966  -1.765  -5.255
   71    HD3  LYS  10           1HD      LYS  10  -9.384  -1.748  -3.592
   72    HE2  LYS  10           2HE      LYS  10 -11.752  -0.075  -4.479
   73    HE3  LYS  10           1HE      LYS  10 -11.933  -1.730  -3.875
   74    HZ1  LYS  10           3HZ      LYS  10 -11.595  -1.037  -1.804
   75    HZ2  LYS  10           1HZ      LYS  10 -11.638   0.559  -2.353
   76    HZ3  LYS  10           2HZ      LYS  10 -10.153  -0.244  -2.224
   77    H    ARG  11           H        ARG  11  -4.771   0.021  -6.019
   78    HA   ARG  11           HA       ARG  11  -4.125  -2.784  -6.519
   79    HB2  ARG  11           2HB      ARG  11  -2.814  -0.141  -7.237
   80    HB3  ARG  11           1HB      ARG  11  -2.305  -1.696  -7.891
   81    HG2  ARG  11           2HG      ARG  11  -5.041  -1.715  -8.316
   82    HG3  ARG  11           1HG      ARG  11  -4.612  -0.028  -8.610
   83    HD2  ARG  11           2HD      ARG  11  -3.177  -2.395  -9.866
   84    HD3  ARG  11           1HD      ARG  11  -4.433  -1.432 -10.675
   85    HE   ARG  11           HE       ARG  11  -2.256   0.183  -9.522
   86   HH11  ARG  11          1HH2      ARG  11  -3.371  -1.628 -12.280
   87   HH12  ARG  11          2HH2      ARG  11  -2.440  -0.714 -13.413
   88   HH21  ARG  11          1HH1      ARG  11  -1.077   1.401 -11.003
   89   HH22  ARG  11          2HH1      ARG  11  -1.138   1.013 -12.692
   90    H    GLY  12           H        GLY  12  -3.037  -0.271  -4.412
   91    HA2  GLY  12           2HA      GLY  12  -0.504  -1.493  -3.704
   92    HA3  GLY  12           1HA      GLY  12  -1.274  -0.153  -2.856
   93    H    CYS  13           H        CYS  13  -3.822  -1.616  -2.465
   94    HA   CYS  13           HA       CYS  13  -3.361  -2.758   0.084
   95    HB2  CYS  13           2HB      CYS  13  -5.527  -2.377  -1.769
   96    HB3  CYS  13           1HB      CYS  13  -5.647  -3.991  -1.066
   97    H    GLY  14           H        GLY  14  -2.479  -4.655   0.686
   98    HA2  GLY  14           2HA      GLY  14  -2.923  -7.217  -0.185
   99    HA3  GLY  14           1HA      GLY  14  -1.690  -6.638  -1.309
  100    H    ARG  15           H        ARG  15  -0.945  -8.713   0.300
  101    HA   ARG  15           HA       ARG  15   0.059  -8.403   2.853
  102    HB2  ARG  15           2HB      ARG  15   0.309 -10.473   1.690
  103    HB3  ARG  15           1HB      ARG  15   1.157  -9.708   0.349
  104    HG2  ARG  15           2HG      ARG  15   3.074 -10.322   1.351
  105    HG3  ARG  15           1HG      ARG  15   2.721  -9.101   2.573
  106    HD2  ARG  15           2HD      ARG  15   1.125 -11.240   3.365
  107    HD3  ARG  15           1HD      ARG  15   2.618 -12.025   2.808
  108    HE   ARG  15           HE       ARG  15   3.093  -9.641   4.460
  109   HH11  ARG  15          1HH2      ARG  15   2.559 -13.083   4.404
  110   HH12  ARG  15          2HH2      ARG  15   3.294 -13.348   5.943
  111   HH21  ARG  15          1HH1      ARG  15   4.058  -9.984   6.480
  112   HH22  ARG  15          2HH1      ARG  15   4.150 -11.593   7.122
  113    H    TRP  16           H        TRP  16   1.823  -7.476  -0.124
  114    HA   TRP  16           HA       TRP  16   4.164  -6.404   0.953
  115    HB2  TRP  16           2HB      TRP  16   3.359  -6.714  -1.459
  116    HB3  TRP  16           1HB      TRP  16   2.560  -5.150  -1.281
  117    HD1  TRP  16           HD       TRP  16   6.000  -6.774  -1.432
  118    HE1  TRP  16           1HE      TRP  16   7.742  -4.952  -1.855
  119    HE3  TRP  16           3HE      TRP  16   3.067  -2.636  -0.929
  120    HZ2  TRP  16           2HZ      TRP  16   7.879  -2.081  -1.996
  121    HZ3  TRP  16           3HZ      TRP  16   4.020  -0.387  -1.223
  122    HH2  TRP  16           HH       TRP  16   6.419  -0.097  -1.753
  123    H    CYS  17           H        CYS  17   1.279  -4.410   0.115
  124    HA   CYS  17           HA       CYS  17   2.218  -2.084   1.509
  125    HB2  CYS  17           2HB      CYS  17   0.534  -1.868  -0.169
  126    HB3  CYS  17           1HB      CYS  17  -0.489  -3.063   0.601
  127    H    ARG  18           H        ARG  18   0.020  -4.719   2.482
  128    HA   ARG  18           HA       ARG  18  -0.782  -3.734   5.019
  129    HB2  ARG  18           2HB      ARG  18  -0.998  -6.080   3.539
  130    HB3  ARG  18           1HB      ARG  18  -0.143  -6.592   4.991
  131    HG2  ARG  18           2HG      ARG  18  -1.879  -5.619   6.405
  132    HG3  ARG  18           1HG      ARG  18  -2.724  -4.996   4.986
  133    HD2  ARG  18           2HD      ARG  18  -2.126  -7.944   5.188
  134    HD3  ARG  18           1HD      ARG  18  -3.527  -7.270   6.041
  135    HE   ARG  18           HE       ARG  18  -3.224  -7.475   3.128
  136   HH11  ARG  18          1HH2      ARG  18  -4.763  -5.852   5.808
  137   HH12  ARG  18          2HH2      ARG  18  -6.118  -5.321   4.869
  138   HH21  ARG  18          1HH1      ARG  18  -5.000  -6.785   1.918
  139   HH22  ARG  18          2HH1      ARG  18  -6.251  -5.851   2.665
  140    H    ASP  19           H        ASP  19   2.223  -5.427   4.118
  141    HA   ASP  19           HA       ASP  19   3.222  -5.287   6.917
  142    HB2  ASP  19           2HB      ASP  19   3.373  -7.169   4.967
  143    HB3  ASP  19           1HB      ASP  19   4.887  -6.312   4.674
  144    H    HIS  20           H        HIS  20   3.940  -3.934   3.698
  145    HA   HIS  20           HA       HIS  20   6.294  -2.447   4.775
  146    HB2  HIS  20           2HB      HIS  20   5.141  -2.798   1.989
  147    HB3  HIS  20           1HB      HIS  20   6.666  -2.003   2.349
  148    HD1  HIS  20           1HD      HIS  20   5.002  -5.411   2.515
  149    HD2  HIS  20           2HD      HIS  20   8.814  -3.762   2.696
  150    HE1  HIS  20           1HE      HIS  20   6.629  -7.351   2.451
  151    H    SER  21           H        SER  21   2.960  -1.845   4.073
  152    HA   SER  21           HA       SER  21   3.533   1.096   3.889
  153    HB2  SER  21           2HB      SER  21   1.407  -0.643   2.632
  154    HB3  SER  21           1HB      SER  21   1.499   1.098   2.439
  155    HG   SER  21           HG       SER  21   3.255   0.883   1.218
  156    H    ARG  22           H        ARG  22   1.705   2.447   4.538
  157    HA   ARG  22           HA       ARG  22  -0.087   1.274   6.628
  158    HB2  ARG  22           2HB      ARG  22   1.650   3.770   6.661
  159    HB3  ARG  22           1HB      ARG  22   0.347   3.508   7.817
  160    HG2  ARG  22           2HG      ARG  22   1.474   1.244   8.321
  161    HG3  ARG  22           1HG      ARG  22   2.870   1.880   7.451
  162    HD2  ARG  22           2HD      ARG  22   3.148   2.330   9.843
  163    HD3  ARG  22           1HD      ARG  22   2.855   3.866   9.005
  164    HE   ARG  22           HE       ARG  22   0.384   2.574   9.887
  165   HH11  ARG  22          1HH2      ARG  22   3.033   4.635  10.811
  166   HH12  ARG  22          2HH2      ARG  22   2.146   5.421  12.069
  167   HH21  ARG  22          1HH1      ARG  22  -0.775   3.658  11.516
  168   HH22  ARG  22          2HH1      ARG  22  -0.004   4.891  12.445
  169    H    CYS  23           H        CYS  23  -0.720   1.677   3.892
  170    HA   CYS  23           HA       CYS  23  -2.583   4.036   3.973
  171    HB2  CYS  23           2HB      CYS  23  -0.488   4.274   2.585
  172    HB3  CYS  23           1HB      CYS  23  -1.022   2.902   1.622
  173    H    CYS  24           H        CYS  24  -3.037   1.092   4.580
  174    HA   CYS  24           HA       CYS  24  -5.425   0.755   2.896
  175    HB2  CYS  24           2HB      CYS  24  -2.906  -0.356   2.148
  176    HB3  CYS  24           1HB      CYS  24  -3.948  -1.692   2.644
  177    HN1  NH2  25           2H       CYS  24  -6.263  -0.585   6.126
  178    HN2  NH2  25           1H       CYS  24  -6.367   0.798   5.146
  Start of MODEL   10
    1    H1   VAL   1           1HT      VAL   1  11.077   1.428   2.199
    2    H2   VAL   1           2HT      VAL   1  11.197  -0.259   2.265
    3    H3   VAL   1           3HT      VAL   1   9.896   0.524   3.011
    4    HA   VAL   1           HA       VAL   1  10.039   1.215   0.238
    5    HB   VAL   1           HB       VAL   1   9.446  -1.067  -0.575
    6   HG11  VAL   1          2HG1      VAL   1  11.913  -0.106  -0.246
    7   HG12  VAL   1          3HG1      VAL   1  11.639  -1.742  -0.842
    8   HG13  VAL   1          1HG1      VAL   1  12.041  -1.478   0.853
    9   HG21  VAL   1          1HG2      VAL   1   8.702  -1.776   1.823
   10   HG22  VAL   1          2HG2      VAL   1  10.408  -2.153   2.074
   11   HG23  VAL   1          3HG2      VAL   1   9.498  -2.984   0.813
   12    H    GLY   2           H        GLY   2   7.725   0.665  -0.658
   13    HA2  GLY   2           2HA      GLY   2   5.467  -0.164   0.304
   14    HA3  GLY   2           1HA      GLY   2   5.791   0.966   1.594
   15    H    GLU   3           H        GLU   3   7.031   2.711  -0.761
   16    HA   GLU   3           HA       GLU   3   4.990   4.599  -1.008
   17    HB2  GLU   3           2HB      GLU   3   6.273   5.306  -3.053
   18    HB3  GLU   3           1HB      GLU   3   7.277   5.026  -1.634
   19    HG2  GLU   3           2HG      GLU   3   8.158   3.058  -2.475
   20    HG3  GLU   3           1HG      GLU   3   6.779   2.756  -3.524
   21    H    ARG   4           H        ARG   4   5.423   1.664  -2.886
   22    HA   ARG   4           HA       ARG   4   3.734   2.221  -5.105
   23    HB2  ARG   4           2HB      ARG   4   4.139  -0.414  -3.671
   24    HB3  ARG   4           1HB      ARG   4   3.681  -0.195  -5.356
   25    HG2  ARG   4           2HG      ARG   4   6.331   0.426  -4.048
   26    HG3  ARG   4           1HG      ARG   4   5.994  -0.665  -5.381
   27    HD2  ARG   4           2HD      ARG   4   5.058   1.753  -6.358
   28    HD3  ARG   4           1HD      ARG   4   6.518   2.213  -5.459
   29    HE   ARG   4           HE       ARG   4   6.635  -0.146  -7.284
   30   HH11  ARG   4          1HH2      ARG   4   7.616   3.127  -6.502
   31   HH12  ARG   4          2HH2      ARG   4   8.994   3.068  -7.544
   32   HH21  ARG   4          1HH1      ARG   4   8.444  -0.163  -8.645
   33   HH22  ARG   4          2HH1      ARG   4   9.461   1.234  -8.740
   34    H    CYS   5           H        CYS   5   2.929   1.395  -1.778
   35    HA   CYS   5           HA       CYS   5   0.290   0.395  -2.271
   36    HB2  CYS   5           2HB      CYS   5   1.576   0.043  -0.198
   37    HB3  CYS   5           1HB      CYS   5   1.421   1.761   0.188
   38    H    CYS   6           H        CYS   6   0.946   3.592  -0.683
   39    HA   CYS   6           HA       CYS   6  -1.655   4.608  -1.085
   40    HB2  CYS   6           2HB      CYS   6   0.898   6.237  -1.179
   41    HB3  CYS   6           1HB      CYS   6  -0.693   6.774  -0.669
   42    H    LYS   7           H        LYS   7   1.139   4.739  -3.293
   43    HA   LYS   7           HA       LYS   7   0.088   6.469  -5.282
   44    HB2  LYS   7           2HB      LYS   7   2.209   4.487  -4.960
   45    HB3  LYS   7           1HB      LYS   7   1.559   4.473  -6.595
   46    HG2  LYS   7           2HG      LYS   7   2.445   6.484  -7.095
   47    HG3  LYS   7           1HG      LYS   7   1.980   7.178  -5.542
   48    HD2  LYS   7           2HD      LYS   7   4.276   7.182  -5.279
   49    HD3  LYS   7           1HD      LYS   7   3.921   5.571  -4.658
   50    HE2  LYS   7           2HE      LYS   7   5.684   5.215  -6.225
   51    HE3  LYS   7           1HE      LYS   7   4.225   4.787  -7.131
   52    HZ1  LYS   7           3HZ      LYS   7   4.165   6.880  -8.162
   53    HZ2  LYS   7           1HZ      LYS   7   5.791   6.423  -8.241
   54    HZ3  LYS   7           2HZ      LYS   7   5.288   7.554  -7.076
   55    H    ASN   8           H        ASN   8  -0.240   2.966  -4.910
   56    HA   ASN   8           HA       ASN   8  -2.018   2.811  -7.267
   57    HB2  ASN   8           2HB      ASN   8  -0.415   1.003  -5.536
   58    HB3  ASN   8           1HB      ASN   8  -1.822   0.299  -6.310
   59   HD21  ASN   8          1HD2      ASN   8   1.415   0.875  -6.808
   60   HD22  ASN   8          2HD2      ASN   8   1.426   0.841  -8.497
   61    H    GLY   9           H        GLY   9  -2.271   2.806  -3.782
   62    HA2  GLY   9           2HA      GLY   9  -4.136   2.608  -2.363
   63    HA3  GLY   9           1HA      GLY   9  -5.083   3.153  -3.747
   64    H    LYS  10           H        LYS  10  -6.500   1.698  -4.590
   65    HA   LYS  10           HA       LYS  10  -6.945  -0.893  -3.514
   66    HB2  LYS  10           2HB      LYS  10  -7.660   0.492  -6.104
   67    HB3  LYS  10           1HB      LYS  10  -8.208  -1.151  -5.771
   68    HG2  LYS  10           2HG      LYS  10  -9.676  -0.476  -4.141
   69    HG3  LYS  10           1HG      LYS  10  -8.627   0.835  -3.595
   70    HD2  LYS  10           2HD      LYS  10  -9.923   2.269  -4.737
   71    HD3  LYS  10           1HD      LYS  10  -9.370   1.512  -6.230
   72    HE2  LYS  10           2HE      LYS  10 -11.706   0.456  -4.593
   73    HE3  LYS  10           1HE      LYS  10 -11.883   1.542  -5.985
   74    HZ1  LYS  10           3HZ      LYS  10 -12.019  -0.760  -6.696
   75    HZ2  LYS  10           1HZ      LYS  10 -10.516  -1.104  -6.002
   76    HZ3  LYS  10           2HZ      LYS  10 -10.616  -0.044  -7.328
   77    H    ARG  11           H        ARG  11  -4.843   0.210  -6.112
   78    HA   ARG  11           HA       ARG  11  -4.254  -2.445  -7.156
   79    HB2  ARG  11           2HB      ARG  11  -2.941   0.270  -7.446
   80    HB3  ARG  11           1HB      ARG  11  -2.509  -1.138  -8.409
   81    HG2  ARG  11           2HG      ARG  11  -4.633  -1.187  -9.461
   82    HG3  ARG  11           1HG      ARG  11  -5.347  -0.113  -8.257
   83    HD2  ARG  11           2HD      ARG  11  -4.902   1.587  -9.708
   84    HD3  ARG  11           1HD      ARG  11  -3.196   1.355  -9.288
   85    HE   ARG  11           HE       ARG  11  -4.423  -0.342 -11.415
   86   HH11  ARG  11          1HH2      ARG  11  -2.056   2.023 -10.374
   87   HH12  ARG  11          2HH2      ARG  11  -1.189   1.973 -11.865
   88   HH21  ARG  11          1HH1      ARG  11  -3.263  -0.383 -13.343
   89   HH22  ARG  11          2HH1      ARG  11  -1.873   0.627 -13.541
   90    H    GLY  12           H        GLY  12  -3.108  -0.535  -4.534
   91    HA2  GLY  12           2HA      GLY  12  -0.769  -2.366  -4.214
   92    HA3  GLY  12           1HA      GLY  12  -0.764  -0.688  -3.673
   93    H    CYS  13           H        CYS  13  -3.673  -2.568  -3.199
   94    HA   CYS  13           HA       CYS  13  -3.182  -2.445  -0.267
   95    HB2  CYS  13           2HB      CYS  13  -5.255  -1.586  -1.657
   96    HB3  CYS  13           1HB      CYS  13  -5.754  -3.272  -1.571
   97    H    GLY  14           H        GLY  14  -1.710  -4.267  -0.330
   98    HA2  GLY  14           2HA      GLY  14  -3.137  -6.857  -0.232
   99    HA3  GLY  14           1HA      GLY  14  -1.764  -6.742  -1.333
  100    H    ARG  15           H        ARG  15  -1.321  -8.584   0.467
  101    HA   ARG  15           HA       ARG  15  -0.531  -8.047   3.083
  102    HB2  ARG  15           2HB      ARG  15   1.126  -9.929   2.709
  103    HB3  ARG  15           1HB      ARG  15  -0.525 -10.286   2.217
  104    HG2  ARG  15           2HG      ARG  15   0.192  -9.534  -0.138
  105    HG3  ARG  15           1HG      ARG  15   1.848  -9.631   0.465
  106    HD2  ARG  15           2HD      ARG  15  -0.180 -11.902   0.426
  107    HD3  ARG  15           1HD      ARG  15   1.273 -11.772  -0.578
  108    HE   ARG  15           HE       ARG  15   1.215 -12.395   2.313
  109   HH11  ARG  15          1HH2      ARG  15   3.058 -11.420  -0.477
  110   HH12  ARG  15          2HH2      ARG  15   4.579 -11.844   0.222
  111   HH21  ARG  15          1HH1      ARG  15   3.195 -12.973   3.217
  112   HH22  ARG  15          2HH1      ARG  15   4.660 -12.749   2.324
  113    H    TRP  16           H        TRP  16   1.429  -7.485   0.146
  114    HA   TRP  16           HA       TRP  16   3.885  -6.722   1.375
  115    HB2  TRP  16           2HB      TRP  16   3.330  -7.029  -1.090
  116    HB3  TRP  16           1HB      TRP  16   2.594  -5.427  -1.041
  117    HD1  TRP  16           HD       TRP  16   5.955  -7.201  -0.700
  118    HE1  TRP  16           1HE      TRP  16   7.832  -5.504  -1.054
  119    HE3  TRP  16           3HE      TRP  16   3.218  -2.891  -0.908
  120    HZ2  TRP  16           2HZ      TRP  16   8.153  -2.677  -1.402
  121    HZ3  TRP  16           3HZ      TRP  16   4.338  -0.724  -1.265
  122    HH2  TRP  16           HH       TRP  16   6.792  -0.607  -1.520
  123    H    CYS  17           H        CYS  17   1.336  -4.462   0.203
  124    HA   CYS  17           HA       CYS  17   2.386  -2.183   1.566
  125    HB2  CYS  17           2HB      CYS  17   0.783  -1.832  -0.148
  126    HB3  CYS  17           1HB      CYS  17  -0.333  -3.003   0.540
  127    H    ARG  18           H        ARG  18  -0.133  -4.533   2.485
  128    HA   ARG  18           HA       ARG  18  -1.015  -3.518   4.930
  129    HB2  ARG  18           2HB      ARG  18  -1.058  -5.953   3.529
  130    HB3  ARG  18           1HB      ARG  18  -0.389  -6.362   5.108
  131    HG2  ARG  18           2HG      ARG  18  -2.284  -5.510   6.253
  132    HG3  ARG  18           1HG      ARG  18  -2.862  -4.654   4.823
  133    HD2  ARG  18           2HD      ARG  18  -2.566  -7.662   4.779
  134    HD3  ARG  18           1HD      ARG  18  -4.032  -6.910   5.433
  135    HE   ARG  18           HE       ARG  18  -3.169  -6.860   2.615
  136   HH11  ARG  18          1HH2      ARG  18  -5.112  -5.404   5.097
  137   HH12  ARG  18          2HH2      ARG  18  -6.268  -4.760   3.991
  138   HH21  ARG  18          1HH1      ARG  18  -4.689  -6.029   1.160
  139   HH22  ARG  18          2HH1      ARG  18  -6.031  -5.111   1.750
  140    H    ASP  19           H        ASP  19   1.992  -5.353   4.331
  141    HA   ASP  19           HA       ASP  19   2.859  -4.960   7.143
  142    HB2  ASP  19           2HB      ASP  19   2.991  -7.088   5.534
  143    HB3  ASP  19           1HB      ASP  19   4.493  -6.314   5.033
  144    H    HIS  20           H        HIS  20   3.814  -4.018   3.850
  145    HA   HIS  20           HA       HIS  20   6.202  -2.555   4.871
  146    HB2  HIS  20           2HB      HIS  20   5.143  -3.102   2.073
  147    HB3  HIS  20           1HB      HIS  20   6.716  -2.409   2.447
  148    HD1  HIS  20           1HD      HIS  20   4.741  -5.616   2.987
  149    HD2  HIS  20           2HD      HIS  20   8.683  -4.297   2.922
  150    HE1  HIS  20           1HE      HIS  20   6.190  -7.684   3.175
  151    H    SER  21           H        SER  21   2.965  -1.704   4.480
  152    HA   SER  21           HA       SER  21   3.719   1.133   3.938
  153    HB2  SER  21           2HB      SER  21   1.846  -0.672   2.418
  154    HB3  SER  21           1HB      SER  21   1.691   1.071   2.337
  155    HG   SER  21           HG       SER  21   3.645   1.217   1.401
  156    H    ARG  22           H        ARG  22   2.737   2.366   5.528
  157    HA   ARG  22           HA       ARG  22   0.388   1.349   7.012
  158    HB2  ARG  22           2HB      ARG  22   1.908   3.994   7.021
  159    HB3  ARG  22           1HB      ARG  22   0.661   3.563   8.186
  160    HG2  ARG  22           2HG      ARG  22   3.301   2.137   7.759
  161    HG3  ARG  22           1HG      ARG  22   2.863   3.134   9.144
  162    HD2  ARG  22           2HD      ARG  22   2.069   1.258  10.141
  163    HD3  ARG  22           1HD      ARG  22   0.797   1.217   8.908
  164    HE   ARG  22           HE       ARG  22   3.458   0.105   8.195
  165   HH11  ARG  22          1HH2      ARG  22   0.098  -0.409   9.001
  166   HH12  ARG  22          2HH2      ARG  22   0.085  -2.026   8.401
  167   HH21  ARG  22          1HH1      ARG  22   3.408  -2.006   7.409
  168   HH22  ARG  22          2HH1      ARG  22   1.935  -2.921   7.487
  169    H    CYS  23           H        CYS  23  -0.451   1.298   4.526
  170    HA   CYS  23           HA       CYS  23  -2.148   3.739   4.143
  171    HB2  CYS  23           2HB      CYS  23   0.173   3.345   2.834
  172    HB3  CYS  23           1HB      CYS  23  -0.879   2.394   1.800
  173    H    CYS  24           H        CYS  24  -2.103   0.399   4.518
  174    HA   CYS  24           HA       CYS  24  -4.821   0.029   3.627
  175    HB2  CYS  24           2HB      CYS  24  -2.804  -0.049   1.629
  176    HB3  CYS  24           1HB      CYS  24  -3.300  -1.717   1.894
  177    HN1  NH2  25           2H       CYS  24  -3.565  -2.362   6.183
  178    HN2  NH2  25           1H       CYS  24  -3.855  -0.696   6.072
  Start of MODEL   11
    1    H1   VAL   1           1HT      VAL   1   9.878  -0.682   2.465
    2    H2   VAL   1           2HT      VAL   1  10.445   0.911   2.488
    3    H3   VAL   1           3HT      VAL   1  11.273  -0.267   1.595
    4    HA   VAL   1           HA       VAL   1   9.739   1.363   0.341
    5    HB   VAL   1           HB       VAL   1   9.103  -0.604  -1.159
    6   HG11  VAL   1          2HG1      VAL   1  11.908  -1.163  -0.484
    7   HG12  VAL   1          3HG1      VAL   1  11.550   0.557  -0.650
    8   HG13  VAL   1          1HG1      VAL   1  11.211  -0.546  -1.982
    9   HG21  VAL   1          1HG2      VAL   1   9.305  -2.770  -0.452
   10   HG22  VAL   1          2HG2      VAL   1   9.160  -2.071   1.160
   11   HG23  VAL   1          3HG2      VAL   1  10.752  -2.427   0.497
   12    H    GLY   2           H        GLY   2   7.444   1.207  -0.588
   13    HA2  GLY   2           2HA      GLY   2   5.288  -0.182   0.345
   14    HA3  GLY   2           1HA      GLY   2   5.562   0.948   1.650
   15    H    GLU   3           H        GLU   3   6.541   3.032  -0.314
   16    HA   GLU   3           HA       GLU   3   4.347   4.660  -0.605
   17    HB2  GLU   3           2HB      GLU   3   5.630   5.746  -2.418
   18    HB3  GLU   3           1HB      GLU   3   6.679   5.270  -1.085
   19    HG2  GLU   3           2HG      GLU   3   7.383   3.278  -2.285
   20    HG3  GLU   3           1HG      GLU   3   6.250   3.622  -3.588
   21    H    ARG   4           H        ARG   4   5.206   2.046  -2.842
   22    HA   ARG   4           HA       ARG   4   3.441   2.655  -4.965
   23    HB2  ARG   4           2HB      ARG   4   4.369   0.731  -5.732
   24    HB3  ARG   4           1HB      ARG   4   5.227   0.636  -4.199
   25    HG2  ARG   4           2HG      ARG   4   3.941  -1.069  -3.443
   26    HG3  ARG   4           1HG      ARG   4   2.461  -0.386  -4.104
   27    HD2  ARG   4           2HD      ARG   4   2.770  -1.401  -6.189
   28    HD3  ARG   4           1HD      ARG   4   4.529  -1.484  -5.996
   29    HE   ARG   4           HE       ARG   4   4.251  -3.353  -4.462
   30   HH11  ARG   4          1HH2      ARG   4   1.267  -2.191  -5.843
   31   HH12  ARG   4          2HH2      ARG   4   0.410  -3.657  -5.532
   32   HH21  ARG   4          1HH1      ARG   4   3.118  -5.266  -4.068
   33   HH22  ARG   4          2HH1      ARG   4   1.455  -5.395  -4.531
   34    H    CYS   5           H        CYS   5   2.796   1.415  -1.768
   35    HA   CYS   5           HA       CYS   5   0.265   0.192  -2.153
   36    HB2  CYS   5           2HB      CYS   5   1.605   0.075  -0.103
   37    HB3  CYS   5           1HB      CYS   5   1.388   1.807   0.160
   38    H    CYS   6           H        CYS   6   0.989   3.573  -1.189
   39    HA   CYS   6           HA       CYS   6  -1.800   4.403  -1.509
   40    HB2  CYS   6           2HB      CYS   6   0.520   6.313  -1.463
   41    HB3  CYS   6           1HB      CYS   6  -1.036   6.432  -0.652
   42    H    LYS   7           H        LYS   7   1.153   4.501  -3.480
   43    HA   LYS   7           HA       LYS   7   0.281   6.304  -5.519
   44    HB2  LYS   7           2HB      LYS   7   2.298   4.167  -5.141
   45    HB3  LYS   7           1HB      LYS   7   1.864   4.490  -6.818
   46    HG2  LYS   7           2HG      LYS   7   2.954   6.473  -6.831
   47    HG3  LYS   7           1HG      LYS   7   2.263   6.955  -5.281
   48    HD2  LYS   7           2HD      LYS   7   4.584   6.780  -4.839
   49    HD3  LYS   7           1HD      LYS   7   3.915   5.263  -4.238
   50    HE2  LYS   7           2HE      LYS   7   5.306   4.139  -5.615
   51    HE3  LYS   7           1HE      LYS   7   4.481   4.879  -7.003
   52    HZ1  LYS   7           3HZ      LYS   7   6.768   5.519  -7.077
   53    HZ2  LYS   7           1HZ      LYS   7   6.762   6.007  -5.454
   54    HZ3  LYS   7           2HZ      LYS   7   5.879   6.887  -6.616
   55    H    ASN   8           H        ASN   8  -0.243   2.841  -5.077
   56    HA   ASN   8           HA       ASN   8  -1.818   2.688  -7.597
   57    HB2  ASN   8           2HB      ASN   8  -0.289   0.898  -5.816
   58    HB3  ASN   8           1HB      ASN   8  -1.729   0.182  -6.509
   59   HD21  ASN   8          1HD2      ASN   8   1.503   0.939  -7.130
   60   HD22  ASN   8          2HD2      ASN   8   1.480   0.669  -8.799
   61    H    GLY   9           H        GLY   9  -2.358   3.002  -4.201
   62    HA2  GLY   9           2HA      GLY   9  -4.305   2.883  -2.907
   63    HA3  GLY   9           1HA      GLY   9  -5.175   3.191  -4.405
   64    H    LYS  10           H        LYS  10  -6.505   1.570  -5.088
   65    HA   LYS  10           HA       LYS  10  -6.971  -0.839  -3.699
   66    HB2  LYS  10           2HB      LYS  10  -7.468   0.179  -6.483
   67    HB3  LYS  10           1HB      LYS  10  -7.925  -1.474  -6.073
   68    HG2  LYS  10           2HG      LYS  10  -8.811   0.148  -3.923
   69    HG3  LYS  10           1HG      LYS  10  -9.272   0.987  -5.402
   70    HD2  LYS  10           2HD      LYS  10 -10.801  -0.583  -5.969
   71    HD3  LYS  10           1HD      LYS  10  -9.747  -1.911  -5.500
   72    HE2  LYS  10           2HE      LYS  10 -11.155  -2.193  -3.725
   73    HE3  LYS  10           1HE      LYS  10 -10.412  -0.726  -3.057
   74    HZ1  LYS  10           3HZ      LYS  10 -12.687  -0.721  -4.975
   75    HZ2  LYS  10           1HZ      LYS  10 -12.041   0.621  -4.170
   76    HZ3  LYS  10           2HZ      LYS  10 -12.866  -0.576  -3.294
   77    H    ARG  11           H        ARG  11  -4.616  -0.152  -6.254
   78    HA   ARG  11           HA       ARG  11  -3.884  -2.987  -6.593
   79    HB2  ARG  11           2HB      ARG  11  -2.820  -0.348  -7.646
   80    HB3  ARG  11           1HB      ARG  11  -2.070  -1.890  -8.040
   81    HG2  ARG  11           2HG      ARG  11  -4.622  -2.513  -8.627
   82    HG3  ARG  11           1HG      ARG  11  -4.684  -0.775  -8.921
   83    HD2  ARG  11           2HD      ARG  11  -3.836  -1.295 -10.984
   84    HD3  ARG  11           1HD      ARG  11  -2.295  -1.481 -10.133
   85    HE   ARG  11           HE       ARG  11  -2.771  -3.895  -9.893
   86   HH11  ARG  11          1HH2      ARG  11  -4.841  -2.116 -12.069
   87   HH12  ARG  11          2HH2      ARG  11  -5.385  -3.523 -12.900
   88   HH21  ARG  11          1HH1      ARG  11  -3.462  -5.721 -10.989
   89   HH22  ARG  11          2HH1      ARG  11  -4.591  -5.585 -12.296
   90    H    GLY  12           H        GLY  12  -2.988  -0.356  -4.581
   91    HA2  GLY  12           2HA      GLY  12  -0.362  -1.471  -3.869
   92    HA3  GLY  12           1HA      GLY  12  -1.099  -0.024  -3.178
   93    H    CYS  13           H        CYS  13  -3.654  -1.404  -2.634
   94    HA   CYS  13           HA       CYS  13  -3.163  -2.327   0.036
   95    HB2  CYS  13           2HB      CYS  13  -5.383  -2.098  -1.902
   96    HB3  CYS  13           1HB      CYS  13  -5.608  -3.357  -0.692
   97    H    GLY  14           H        GLY  14  -2.286  -4.257   0.630
   98    HA2  GLY  14           2HA      GLY  14  -3.125  -6.801  -0.144
   99    HA3  GLY  14           1HA      GLY  14  -1.818  -6.389  -1.254
  100    H    ARG  15           H        ARG  15  -1.421  -8.505   0.441
  101    HA   ARG  15           HA       ARG  15  -0.399  -8.194   3.001
  102    HB2  ARG  15           2HB      ARG  15   1.239 -10.033   2.284
  103    HB3  ARG  15           1HB      ARG  15  -0.468 -10.359   2.028
  104    HG2  ARG  15           2HG      ARG  15   0.200  -9.160  -0.341
  105    HG3  ARG  15           1HG      ARG  15   1.698  -9.995   0.061
  106    HD2  ARG  15           2HD      ARG  15  -1.067 -11.240  -0.148
  107    HD3  ARG  15           1HD      ARG  15   0.311 -11.544  -1.211
  108    HE   ARG  15           HE       ARG  15   0.152 -12.363   1.668
  109   HH11  ARG  15          1HH2      ARG  15   1.673 -12.516  -1.467
  110   HH12  ARG  15          2HH2      ARG  15   2.688 -13.839  -1.040
  111   HH21  ARG  15          1HH1      ARG  15   1.492 -14.095   2.214
  112   HH22  ARG  15          2HH1      ARG  15   2.593 -14.738   1.041
  113    H    TRP  16           H        TRP  16   1.278  -7.396  -0.035
  114    HA   TRP  16           HA       TRP  16   3.847  -6.721   0.997
  115    HB2  TRP  16           2HB      TRP  16   3.043  -6.860  -1.410
  116    HB3  TRP  16           1HB      TRP  16   2.277  -5.289  -1.167
  117    HD1  TRP  16           HD       TRP  16   5.699  -6.969  -1.324
  118    HE1  TRP  16           1HE      TRP  16   7.484  -5.180  -1.706
  119    HE3  TRP  16           3HE      TRP  16   2.833  -2.750  -0.906
  120    HZ2  TRP  16           2HZ      TRP  16   7.693  -2.334  -1.851
  121    HZ3  TRP  16           3HZ      TRP  16   3.853  -0.516  -1.185
  122    HH2  TRP  16           HH       TRP  16   6.281  -0.306  -1.654
  123    H    CYS  17           H        CYS  17   1.177  -4.415   0.272
  124    HA   CYS  17           HA       CYS  17   2.345  -2.229   1.678
  125    HB2  CYS  17           2HB      CYS  17   0.487  -2.015   0.099
  126    HB3  CYS  17           1HB      CYS  17  -0.552  -2.945   1.164
  127    H    ARG  18           H        ARG  18   0.058  -4.744   2.785
  128    HA   ARG  18           HA       ARG  18  -0.456  -3.826   5.396
  129    HB2  ARG  18           2HB      ARG  18  -0.919  -6.067   3.865
  130    HB3  ARG  18           1HB      ARG  18   0.134  -6.703   5.129
  131    HG2  ARG  18           2HG      ARG  18  -1.374  -5.580   6.818
  132    HG3  ARG  18           1HG      ARG  18  -2.490  -5.233   5.494
  133    HD2  ARG  18           2HD      ARG  18  -1.481  -8.033   6.066
  134    HD3  ARG  18           1HD      ARG  18  -2.968  -7.382   6.785
  135    HE   ARG  18           HE       ARG  18  -2.656  -7.141   3.842
  136   HH11  ARG  18          1HH2      ARG  18  -4.146  -8.714   6.571
  137   HH12  ARG  18          2HH2      ARG  18  -5.451  -9.360   5.639
  138   HH21  ARG  18          1HH1      ARG  18  -4.369  -7.977   2.639
  139   HH22  ARG  18          2HH1      ARG  18  -5.572  -8.951   3.412
  140    H    ASP  19           H        ASP  19   2.401  -5.589   4.186
  141    HA   ASP  19           HA       ASP  19   3.637  -5.528   6.890
  142    HB2  ASP  19           2HB      ASP  19   3.565  -7.471   5.145
  143    HB3  ASP  19           1HB      ASP  19   4.860  -6.576   4.344
  144    H    HIS  20           H        HIS  20   3.895  -3.898   3.786
  145    HA   HIS  20           HA       HIS  20   6.489  -2.649   4.605
  146    HB2  HIS  20           2HB      HIS  20   5.033  -2.785   1.946
  147    HB3  HIS  20           1HB      HIS  20   6.636  -2.107   2.193
  148    HD1  HIS  20           1HD      HIS  20   4.821  -5.423   2.642
  149    HD2  HIS  20           2HD      HIS  20   8.647  -3.977   1.926
  150    HE1  HIS  20           1HE      HIS  20   6.283  -7.446   2.209
  151    H    SER  21           H        SER  21   3.098  -1.801   4.257
  152    HA   SER  21           HA       SER  21   3.856   1.055   4.679
  153    HB2  SER  21           2HB      SER  21   2.957  -0.201   2.228
  154    HB3  SER  21           1HB      SER  21   1.820   1.041   2.731
  155    HG   SER  21           HG       SER  21   3.660   2.449   2.942
  156    H    ARG  22           H        ARG  22   2.586   1.822   6.318
  157    HA   ARG  22           HA       ARG  22   0.004   0.548   7.001
  158    HB2  ARG  22           2HB      ARG  22   1.602   2.892   8.100
  159    HB3  ARG  22           1HB      ARG  22   0.074   2.350   8.791
  160    HG2  ARG  22           2HG      ARG  22   1.089   0.056   9.052
  161    HG3  ARG  22           1HG      ARG  22   2.640   0.752   8.576
  162    HD2  ARG  22           2HD      ARG  22   2.280   2.462  10.460
  163    HD3  ARG  22           1HD      ARG  22   0.992   1.381  11.035
  164    HE   ARG  22           HE       ARG  22   3.066  -0.370  10.618
  165   HH11  ARG  22          1HH2      ARG  22   2.777   2.651  12.314
  166   HH12  ARG  22          2HH2      ARG  22   4.016   2.272  13.458
  167   HH21  ARG  22          1HH1      ARG  22   4.688  -0.874  12.123
  168   HH22  ARG  22          2HH1      ARG  22   5.108   0.275  13.349
  169    H    CYS  23           H        CYS  23  -0.333   1.350   4.500
  170    HA   CYS  23           HA       CYS  23  -1.941   3.876   4.633
  171    HB2  CYS  23           2HB      CYS  23   0.227   4.443   3.732
  172    HB3  CYS  23           1HB      CYS  23   0.248   3.016   2.712
  173    H    CYS  24           H        CYS  24  -3.046   1.299   4.816
  174    HA   CYS  24           HA       CYS  24  -4.844   1.239   2.523
  175    HB2  CYS  24           2HB      CYS  24  -2.352  -0.153   2.410
  176    HB3  CYS  24           1HB      CYS  24  -3.624  -1.361   2.546
  177    HN1  NH2  25           2H       CYS  24  -6.696  -1.256   4.400
  178    HN2  NH2  25           1H       CYS  24  -6.426  -0.692   2.821
  Start of MODEL   12
    1    H1   VAL   1           1HT      VAL   1  10.806   2.362   1.505
    2    H2   VAL   1           2HT      VAL   1  11.281   0.861   2.127
    3    H3   VAL   1           3HT      VAL   1   9.923   1.646   2.763
    4    HA   VAL   1           HA       VAL   1   9.665   1.277  -0.050
    5    HB   VAL   1           HB       VAL   1  11.204  -0.627   0.554
    6   HG11  VAL   1          2HG1      VAL   1  10.052  -0.768   2.927
    7   HG12  VAL   1          3HG1      VAL   1  10.651  -2.236   2.165
    8   HG13  VAL   1          1HG1      VAL   1   8.929  -1.843   2.110
    9   HG21  VAL   1          1HG2      VAL   1  10.015  -2.236  -0.685
   10   HG22  VAL   1          2HG2      VAL   1   9.260  -0.729  -1.185
   11   HG23  VAL   1          3HG2      VAL   1   8.460  -1.757   0.002
   12    H    GLY   2           H        GLY   2   7.446   0.858  -0.474
   13    HA2  GLY   2           2HA      GLY   2   5.335  -0.136   0.620
   14    HA3  GLY   2           1HA      GLY   2   5.673   0.981   1.921
   15    H    GLU   3           H        GLU   3   6.668   3.012  -0.110
   16    HA   GLU   3           HA       GLU   3   4.443   4.665  -0.373
   17    HB2  GLU   3           2HB      GLU   3   5.814   5.661  -2.298
   18    HB3  GLU   3           1HB      GLU   3   6.657   5.488  -0.761
   19    HG2  GLU   3           2HG      GLU   3   7.711   3.417  -1.529
   20    HG3  GLU   3           1HG      GLU   3   6.813   3.488  -3.043
   21    H    ARG   4           H        ARG   4   5.471   2.080  -2.553
   22    HA   ARG   4           HA       ARG   4   3.853   2.586  -4.798
   23    HB2  ARG   4           2HB      ARG   4   4.721   0.588  -5.428
   24    HB3  ARG   4           1HB      ARG   4   5.577   0.616  -3.892
   25    HG2  ARG   4           2HG      ARG   4   4.529  -1.414  -3.684
   26    HG3  ARG   4           1HG      ARG   4   3.266  -0.394  -3.010
   27    HD2  ARG   4           2HD      ARG   4   1.844  -0.980  -4.676
   28    HD3  ARG   4           1HD      ARG   4   3.026  -0.502  -5.910
   29    HE   ARG   4           HE       ARG   4   4.096  -2.850  -5.018
   30   HH11  ARG   4          1HH2      ARG   4   0.881  -1.931  -6.010
   31   HH12  ARG   4          2HH2      ARG   4   0.463  -3.512  -6.563
   32   HH21  ARG   4          1HH1      ARG   4   3.537  -4.913  -5.728
   33   HH22  ARG   4          2HH1      ARG   4   1.972  -5.206  -6.405
   34    H    CYS   5           H        CYS   5   2.880   1.531  -1.593
   35    HA   CYS   5           HA       CYS   5   0.391   0.287  -2.241
   36    HB2  CYS   5           2HB      CYS   5   1.562   0.248  -0.033
   37    HB3  CYS   5           1HB      CYS   5   1.131   1.944   0.193
   38    H    CYS   6           H        CYS   6   0.920   3.696  -1.102
   39    HA   CYS   6           HA       CYS   6  -1.761   4.525  -1.742
   40    HB2  CYS   6           2HB      CYS   6   0.630   6.369  -1.808
   41    HB3  CYS   6           1HB      CYS   6  -1.001   6.701  -1.247
   42    H    LYS   7           H        LYS   7   1.298   4.585  -3.557
   43    HA   LYS   7           HA       LYS   7   0.583   6.020  -5.859
   44    HB2  LYS   7           2HB      LYS   7   2.423   3.829  -5.089
   45    HB3  LYS   7           1HB      LYS   7   2.107   3.964  -6.819
   46    HG2  LYS   7           2HG      LYS   7   2.709   6.483  -5.337
   47    HG3  LYS   7           1HG      LYS   7   4.048   5.374  -5.613
   48    HD2  LYS   7           2HD      LYS   7   2.202   6.479  -7.750
   49    HD3  LYS   7           1HD      LYS   7   3.850   7.020  -7.450
   50    HE2  LYS   7           2HE      LYS   7   2.980   4.272  -8.417
   51    HE3  LYS   7           1HE      LYS   7   3.936   5.470  -9.306
   52    HZ1  LYS   7           3HZ      LYS   7   5.442   5.332  -7.200
   53    HZ2  LYS   7           1HZ      LYS   7   5.579   4.154  -8.415
   54    HZ3  LYS   7           2HZ      LYS   7   4.714   3.814  -7.001
   55    H    ASN   8           H        ASN   8  -0.251   2.707  -4.960
   56    HA   ASN   8           HA       ASN   8  -1.660   2.299  -7.555
   57    HB2  ASN   8           2HB      ASN   8  -0.323   0.676  -5.493
   58    HB3  ASN   8           1HB      ASN   8  -1.772  -0.050  -6.161
   59   HD21  ASN   8          1HD2      ASN   8   1.509   0.577  -6.727
   60   HD22  ASN   8          2HD2      ASN   8   1.555   0.067  -8.337
   61    H    GLY   9           H        GLY   9  -2.389   3.091  -4.282
   62    HA2  GLY   9           2HA      GLY   9  -4.427   3.235  -3.120
   63    HA3  GLY   9           1HA      GLY   9  -5.174   3.335  -4.715
   64    H    LYS  10           H        LYS  10  -6.565   1.702  -5.184
   65    HA   LYS  10           HA       LYS  10  -7.086  -0.520  -3.490
   66    HB2  LYS  10           2HB      LYS  10  -7.557  -0.002  -6.442
   67    HB3  LYS  10           1HB      LYS  10  -8.244  -1.389  -5.598
   68    HG2  LYS  10           2HG      LYS  10  -8.897   0.716  -3.927
   69    HG3  LYS  10           1HG      LYS  10  -9.050   1.432  -5.532
   70    HD2  LYS  10           2HD      LYS  10 -10.294  -0.886  -6.033
   71    HD3  LYS  10           1HD      LYS  10 -10.613  -0.798  -4.300
   72    HE2  LYS  10           2HE      LYS  10 -11.204   1.484  -6.228
   73    HE3  LYS  10           1HE      LYS  10 -12.416   0.302  -5.698
   74    HZ1  LYS  10           3HZ      LYS  10 -11.912   0.877  -3.402
   75    HZ2  LYS  10           1HZ      LYS  10 -12.428   2.239  -4.259
   76    HZ3  LYS  10           2HZ      LYS  10 -10.781   2.031  -3.918
   77    H    ARG  11           H        ARG  11  -4.781  -0.116  -6.129
   78    HA   ARG  11           HA       ARG  11  -4.106  -2.963  -6.287
   79    HB2  ARG  11           2HB      ARG  11  -2.882  -0.414  -7.376
   80    HB3  ARG  11           1HB      ARG  11  -2.260  -2.014  -7.752
   81    HG2  ARG  11           2HG      ARG  11  -4.653  -2.587  -8.490
   82    HG3  ARG  11           1HG      ARG  11  -4.960  -0.852  -8.436
   83    HD2  ARG  11           2HD      ARG  11  -4.296  -1.418 -10.713
   84    HD3  ARG  11           1HD      ARG  11  -2.961  -0.532  -9.951
   85    HE   ARG  11           HE       ARG  11  -2.795  -3.430  -9.577
   86   HH11  ARG  11          1HH2      ARG  11  -2.042  -0.719 -11.653
   87   HH12  ARG  11          2HH2      ARG  11  -0.695  -1.511 -12.394
   88   HH21  ARG  11          1HH1      ARG  11  -1.011  -4.422 -10.521
   89   HH22  ARG  11          2HH1      ARG  11  -0.111  -3.597 -11.748
   90    H    GLY  12           H        GLY  12  -3.313  -0.421  -4.180
   91    HA2  GLY  12           2HA      GLY  12  -0.631  -1.391  -3.485
   92    HA3  GLY  12           1HA      GLY  12  -1.497  -0.068  -2.697
   93    H    CYS  13           H        CYS  13  -3.895  -1.341  -2.041
   94    HA   CYS  13           HA       CYS  13  -3.386  -2.584   0.426
   95    HB2  CYS  13           2HB      CYS  13  -5.637  -2.399  -1.526
   96    HB3  CYS  13           1HB      CYS  13  -5.799  -3.591  -0.236
   97    H    GLY  14           H        GLY  14  -2.366  -4.487   0.807
   98    HA2  GLY  14           2HA      GLY  14  -3.122  -7.010  -0.082
   99    HA3  GLY  14           1HA      GLY  14  -1.896  -6.469  -1.235
  100    H    ARG  15           H        ARG  15  -1.263  -8.636   0.326
  101    HA   ARG  15           HA       ARG  15  -0.144  -8.363   2.848
  102    HB2  ARG  15           2HB      ARG  15   1.543 -10.081   2.001
  103    HB3  ARG  15           1HB      ARG  15  -0.147 -10.485   1.731
  104    HG2  ARG  15           2HG      ARG  15   0.358 -10.756  -0.458
  105    HG3  ARG  15           1HG      ARG  15   0.624  -9.020  -0.550
  106    HD2  ARG  15           2HD      ARG  15   2.597 -10.423  -1.336
  107    HD3  ARG  15           1HD      ARG  15   2.988  -9.295  -0.022
  108    HE   ARG  15           HE       ARG  15   2.178 -12.097   0.645
  109   HH11  ARG  15          1HH2      ARG  15   4.572  -9.553   0.627
  110   HH12  ARG  15          2HH2      ARG  15   5.565 -10.316   1.817
  111   HH21  ARG  15          1HH1      ARG  15   3.465 -13.069   2.203
  112   HH22  ARG  15          2HH1      ARG  15   4.930 -12.313   2.724
  113    H    TRP  16           H        TRP  16   1.412  -7.396  -0.237
  114    HA   TRP  16           HA       TRP  16   3.953  -6.594   0.766
  115    HB2  TRP  16           2HB      TRP  16   3.090  -6.744  -1.634
  116    HB3  TRP  16           1HB      TRP  16   2.302  -5.186  -1.358
  117    HD1  TRP  16           HD       TRP  16   5.706  -6.807  -1.776
  118    HE1  TRP  16           1HE      TRP  16   7.474  -4.988  -2.080
  119    HE3  TRP  16           3HE      TRP  16   2.894  -2.663  -0.759
  120    HZ2  TRP  16           2HZ      TRP  16   7.679  -2.120  -1.932
  121    HZ3  TRP  16           3HZ      TRP  16   3.900  -0.418  -0.855
  122    HH2  TRP  16           HH       TRP  16   6.282  -0.144  -1.448
  123    H    CYS  17           H        CYS  17   1.135  -4.452   0.122
  124    HA   CYS  17           HA       CYS  17   2.188  -2.207   1.566
  125    HB2  CYS  17           2HB      CYS  17   0.391  -2.074  -0.097
  126    HB3  CYS  17           1HB      CYS  17  -0.651  -3.057   0.915
  127    H    ARG  18           H        ARG  18  -0.028  -4.829   2.537
  128    HA   ARG  18           HA       ARG  18  -0.639  -3.979   5.167
  129    HB2  ARG  18           2HB      ARG  18  -0.569  -6.451   3.574
  130    HB3  ARG  18           1HB      ARG  18  -0.339  -6.733   5.300
  131    HG2  ARG  18           2HG      ARG  18  -2.379  -5.303   5.723
  132    HG3  ARG  18           1HG      ARG  18  -2.653  -5.290   3.978
  133    HD2  ARG  18           2HD      ARG  18  -3.919  -7.099   5.285
  134    HD3  ARG  18           1HD      ARG  18  -2.940  -7.684   3.929
  135    HE   ARG  18           HE       ARG  18  -1.747  -7.577   6.668
  136   HH11  ARG  18          1HH2      ARG  18  -2.806  -9.410   3.892
  137   HH12  ARG  18          2HH2      ARG  18  -1.940 -10.833   4.351
  138   HH21  ARG  18          1HH1      ARG  18  -0.639  -9.438   7.268
  139   HH22  ARG  18          2HH1      ARG  18  -0.708 -10.850   6.273
  140    H    ASP  19           H        ASP  19   2.240  -5.695   3.958
  141    HA   ASP  19           HA       ASP  19   3.420  -5.824   6.687
  142    HB2  ASP  19           2HB      ASP  19   3.426  -7.411   4.390
  143    HB3  ASP  19           1HB      ASP  19   5.044  -6.716   4.427
  144    H    HIS  20           H        HIS  20   3.926  -4.122   3.613
  145    HA   HIS  20           HA       HIS  20   6.397  -2.824   4.711
  146    HB2  HIS  20           2HB      HIS  20   5.206  -2.912   1.917
  147    HB3  HIS  20           1HB      HIS  20   6.784  -2.264   2.334
  148    HD1  HIS  20           1HD      HIS  20   4.888  -5.570   2.496
  149    HD2  HIS  20           2HD      HIS  20   8.793  -4.162   2.229
  150    HE1  HIS  20           1HE      HIS  20   6.359  -7.597   2.111
  151    H    SER  21           H        SER  21   3.050  -2.127   4.150
  152    HA   SER  21           HA       SER  21   3.658   0.812   4.186
  153    HB2  SER  21           2HB      SER  21   1.601  -0.801   2.680
  154    HB3  SER  21           1HB      SER  21   1.644   0.951   2.693
  155    HG   SER  21           HG       SER  21   3.296   0.915   1.381
  156    H    ARG  22           H        ARG  22   1.953   2.147   4.989
  157    HA   ARG  22           HA       ARG  22   0.124   0.865   6.988
  158    HB2  ARG  22           2HB      ARG  22   2.122   2.596   7.483
  159    HB3  ARG  22           1HB      ARG  22   0.886   3.768   7.028
  160    HG2  ARG  22           2HG      ARG  22  -0.392   1.928   8.759
  161    HG3  ARG  22           1HG      ARG  22   1.164   2.304   9.510
  162    HD2  ARG  22           2HD      ARG  22  -0.861   4.362   8.535
  163    HD3  ARG  22           1HD      ARG  22  -0.539   3.938  10.231
  164    HE   ARG  22           HE       ARG  22   1.982   4.512   9.285
  165   HH11  ARG  22          1HH2      ARG  22  -1.069   6.167   9.194
  166   HH12  ARG  22          2HH2      ARG  22  -0.362   7.741   9.158
  167   HH21  ARG  22          1HH1      ARG  22   2.916   6.566   9.271
  168   HH22  ARG  22          2HH1      ARG  22   1.909   7.973   9.210
  169    H    CYS  23           H        CYS  23   0.409   2.690   4.090
  170    HA   CYS  23           HA       CYS  23  -1.761   4.420   3.956
  171    HB2  CYS  23           2HB      CYS  23   0.180   3.525   2.315
  172    HB3  CYS  23           1HB      CYS  23  -1.168   2.612   1.652
  173    H    CYS  24           H        CYS  24  -1.802   0.884   3.241
  174    HA   CYS  24           HA       CYS  24  -4.712   0.902   2.807
  175    HB2  CYS  24           2HB      CYS  24  -3.124  -0.573   1.563
  176    HB3  CYS  24           1HB      CYS  24  -2.708  -1.372   3.071
  177    HN1  NH2  25           2H       CYS  24  -5.822  -0.123   6.007
  178    HN2  NH2  25           1H       CYS  24  -6.240   0.377   4.443
  Start of MODEL   13
    1    H1   VAL   1           1HT      VAL   1  10.216   1.731   2.126
    2    H2   VAL   1           2HT      VAL   1   9.953   2.327   0.560
    3    H3   VAL   1           3HT      VAL   1  11.405   1.538   0.941
    4    HA   VAL   1           HA       VAL   1   9.853   0.141  -0.342
    5    HB   VAL   1           HB       VAL   1  11.625  -0.809   1.020
    6   HG11  VAL   1          2HG1      VAL   1   9.733  -0.320   3.328
    7   HG12  VAL   1          3HG1      VAL   1  11.393   0.231   3.135
    8   HG13  VAL   1          1HG1      VAL   1  11.061  -1.472   3.433
    9   HG21  VAL   1          1HG2      VAL   1   9.850  -2.319   0.089
   10   HG22  VAL   1          2HG2      VAL   1   9.044  -2.265   1.659
   11   HG23  VAL   1          3HG2      VAL   1  10.654  -2.974   1.516
   12    H    GLY   2           H        GLY   2   7.686   0.489  -0.711
   13    HA2  GLY   2           2HA      GLY   2   5.541  -0.630   0.350
   14    HA3  GLY   2           1HA      GLY   2   5.815   0.578   1.600
   15    H    GLU   3           H        GLU   3   6.869   2.463  -0.483
   16    HA   GLU   3           HA       GLU   3   4.917   4.262  -0.915
   17    HB2  GLU   3           2HB      GLU   3   6.146   4.586  -3.220
   18    HB3  GLU   3           1HB      GLU   3   7.010   4.826  -1.704
   19    HG2  GLU   3           2HG      GLU   3   7.107   2.033  -2.399
   20    HG3  GLU   3           1HG      GLU   3   7.631   2.987  -3.770
   21    H    ARG   4           H        ARG   4   5.388   1.525  -3.134
   22    HA   ARG   4           HA       ARG   4   3.476   2.136  -5.070
   23    HB2  ARG   4           2HB      ARG   4   3.997   0.055  -5.811
   24    HB3  ARG   4           1HB      ARG   4   5.152   0.051  -4.488
   25    HG2  ARG   4           2HG      ARG   4   4.047  -1.901  -3.992
   26    HG3  ARG   4           1HG      ARG   4   2.991  -0.788  -3.127
   27    HD2  ARG   4           2HD      ARG   4   1.516  -2.114  -4.455
   28    HD3  ARG   4           1HD      ARG   4   1.696  -0.604  -5.368
   29    HE   ARG   4           HE       ARG   4   3.792  -2.136  -6.286
   30   HH11  ARG   4          1HH2      ARG   4   0.350  -2.636  -5.995
   31   HH12  ARG   4          2HH2      ARG   4   0.283  -3.741  -7.318
   32   HH21  ARG   4          1HH1      ARG   4   3.682  -3.586  -8.006
   33   HH22  ARG   4          2HH1      ARG   4   2.161  -4.281  -8.452
   34    H    CYS   5           H        CYS   5   2.830   1.078  -1.758
   35    HA   CYS   5           HA       CYS   5   0.175   0.089  -2.169
   36    HB2  CYS   5           2HB      CYS   5   1.495  -0.243  -0.120
   37    HB3  CYS   5           1HB      CYS   5   1.400   1.483   0.226
   38    H    CYS   6           H        CYS   6   0.962   3.309  -0.709
   39    HA   CYS   6           HA       CYS   6  -1.677   4.348  -1.164
   40    HB2  CYS   6           2HB      CYS   6   0.831   6.041  -1.070
   41    HB3  CYS   6           1HB      CYS   6  -0.775   6.418  -0.450
   42    H    LYS   7           H        LYS   7   1.299   4.475  -3.112
   43    HA   LYS   7           HA       LYS   7   0.495   6.307  -5.102
   44    HB2  LYS   7           2HB      LYS   7   2.375   4.001  -4.873
   45    HB3  LYS   7           1HB      LYS   7   2.073   4.641  -6.486
   46    HG2  LYS   7           2HG      LYS   7   2.987   6.272  -4.093
   47    HG3  LYS   7           1HG      LYS   7   4.016   5.749  -5.424
   48    HD2  LYS   7           2HD      LYS   7   1.667   7.659  -5.571
   49    HD3  LYS   7           1HD      LYS   7   3.363   8.038  -5.841
   50    HE2  LYS   7           2HE      LYS   7   2.983   7.650  -8.046
   51    HE3  LYS   7           1HE      LYS   7   2.825   5.933  -7.634
   52    HZ1  LYS   7           3HZ      LYS   7   0.834   7.323  -8.687
   53    HZ2  LYS   7           1HZ      LYS   7   0.527   7.646  -7.057
   54    HZ3  LYS   7           2HZ      LYS   7   0.574   6.039  -7.610
   55    H    ASN   8           H        ASN   8  -0.444   2.961  -4.664
   56    HA   ASN   8           HA       ASN   8  -1.894   3.050  -7.286
   57    HB2  ASN   8           2HB      ASN   8  -0.373   1.036  -5.750
   58    HB3  ASN   8           1HB      ASN   8  -1.829   0.435  -6.516
   59   HD21  ASN   8          1HD2      ASN   8   1.417   0.966  -7.079
   60   HD22  ASN   8          2HD2      ASN   8   1.370   1.030  -8.769
   61    H    GLY   9           H        GLY   9  -2.431   3.147  -3.904
   62    HA2  GLY   9           2HA      GLY   9  -4.359   2.845  -2.592
   63    HA3  GLY   9           1HA      GLY   9  -5.223   3.356  -4.039
   64    H    LYS  10           H        LYS  10  -6.499   1.860  -5.032
   65    HA   LYS  10           HA       LYS  10  -7.104  -0.678  -3.908
   66    HB2  LYS  10           2HB      LYS  10  -7.411   0.365  -6.748
   67    HB3  LYS  10           1HB      LYS  10  -8.265  -1.034  -6.090
   68    HG2  LYS  10           2HG      LYS  10  -8.480   1.377  -4.408
   69    HG3  LYS  10           1HG      LYS  10  -9.199   1.563  -6.010
   70    HD2  LYS  10           2HD      LYS  10 -10.391  -0.639  -5.617
   71    HD3  LYS  10           1HD      LYS  10  -9.838  -0.561  -3.943
   72    HE2  LYS  10           2HE      LYS  10 -11.506   1.588  -5.319
   73    HE3  LYS  10           1HE      LYS  10 -12.141   0.370  -4.196
   74    HZ1  LYS  10           3HZ      LYS  10 -10.139   2.491  -3.632
   75    HZ2  LYS  10           1HZ      LYS  10 -10.369   1.165  -2.600
   76    HZ3  LYS  10           2HZ      LYS  10 -11.638   2.249  -2.876
   77    H    ARG  11           H        ARG  11  -4.687   0.259  -6.292
   78    HA   ARG  11           HA       ARG  11  -3.970  -2.550  -6.912
   79    HB2  ARG  11           2HB      ARG  11  -2.981   0.188  -7.747
   80    HB3  ARG  11           1HB      ARG  11  -2.206  -1.294  -8.289
   81    HG2  ARG  11           2HG      ARG  11  -4.445  -2.049  -9.170
   82    HG3  ARG  11           1HG      ARG  11  -5.072  -0.451  -8.768
   83    HD2  ARG  11           2HD      ARG  11  -4.182   0.442 -10.653
   84    HD3  ARG  11           1HD      ARG  11  -2.582  -0.222 -10.272
   85    HE   ARG  11           HE       ARG  11  -4.504  -2.227 -11.210
   86   HH11  ARG  11          1HH2      ARG  11  -2.081   0.132 -12.055
   87   HH12  ARG  11          2HH2      ARG  11  -1.714  -0.609 -13.575
   88   HH21  ARG  11          1HH1      ARG  11  -4.027  -3.186 -13.185
   89   HH22  ARG  11          2HH1      ARG  11  -2.821  -2.499 -14.216
   90    H    GLY  12           H        GLY  12  -3.280  -0.340  -4.477
   91    HA2  GLY  12           2HA      GLY  12  -0.513  -1.319  -4.046
   92    HA3  GLY  12           1HA      GLY  12  -1.259   0.056  -3.228
   93    H    CYS  13           H        CYS  13  -3.762  -1.380  -2.633
   94    HA   CYS  13           HA       CYS  13  -3.175  -2.399  -0.060
   95    HB2  CYS  13           2HB      CYS  13  -5.400  -1.779  -1.491
   96    HB3  CYS  13           1HB      CYS  13  -5.490  -3.539  -1.535
   97    H    GLY  14           H        GLY  14  -2.518  -4.388   0.670
   98    HA2  GLY  14           2HA      GLY  14  -2.969  -6.925  -0.303
   99    HA3  GLY  14           1HA      GLY  14  -1.598  -6.372  -1.263
  100    H    ARG  15           H        ARG  15  -1.094  -8.497   0.341
  101    HA   ARG  15           HA       ARG  15  -0.378  -8.179   3.035
  102    HB2  ARG  15           2HB      ARG  15  -0.350 -10.248   1.599
  103    HB3  ARG  15           1HB      ARG  15   1.148  -9.668   0.869
  104    HG2  ARG  15           2HG      ARG  15   2.365 -10.384   2.610
  105    HG3  ARG  15           1HG      ARG  15   1.312  -9.564   3.759
  106    HD2  ARG  15           2HD      ARG  15  -0.141 -11.820   2.752
  107    HD3  ARG  15           1HD      ARG  15   1.469 -12.384   3.218
  108    HE   ARG  15           HE       ARG  15   1.062 -11.665   5.470
  109   HH11  ARG  15          1HH2      ARG  15  -1.522 -10.789   3.288
  110   HH12  ARG  15          2HH2      ARG  15  -2.634 -10.410   4.557
  111   HH21  ARG  15          1HH1      ARG  15  -0.397 -11.168   7.122
  112   HH22  ARG  15          2HH1      ARG  15  -1.998 -10.631   6.737
  113    H    TRP  16           H        TRP  16   1.781  -7.666   0.213
  114    HA   TRP  16           HA       TRP  16   4.099  -6.752   1.518
  115    HB2  TRP  16           2HB      TRP  16   3.624  -7.193  -0.939
  116    HB3  TRP  16           1HB      TRP  16   2.876  -5.597  -1.000
  117    HD1  TRP  16           HD       TRP  16   6.230  -7.298  -0.320
  118    HE1  TRP  16           1HE      TRP  16   8.116  -5.629  -0.757
  119    HE3  TRP  16           3HE      TRP  16   3.473  -3.094  -1.223
  120    HZ2  TRP  16           2HZ      TRP  16   8.434  -2.843  -1.411
  121    HZ3  TRP  16           3HZ      TRP  16   4.600  -0.951  -1.752
  122    HH2  TRP  16           HH       TRP  16   7.065  -0.822  -1.855
  123    H    CYS  17           H        CYS  17   1.593  -4.600   0.094
  124    HA   CYS  17           HA       CYS  17   2.485  -2.193   1.285
  125    HB2  CYS  17           2HB      CYS  17   0.875  -1.845  -0.329
  126    HB3  CYS  17           1HB      CYS  17  -0.028  -3.278   0.116
  127    H    ARG  18           H        ARG  18  -0.017  -4.478   2.440
  128    HA   ARG  18           HA       ARG  18  -0.864  -3.178   4.759
  129    HB2  ARG  18           2HB      ARG  18  -0.825  -5.853   3.704
  130    HB3  ARG  18           1HB      ARG  18  -0.503  -5.919   5.435
  131    HG2  ARG  18           2HG      ARG  18  -2.493  -4.570   5.894
  132    HG3  ARG  18           1HG      ARG  18  -2.800  -4.402   4.164
  133    HD2  ARG  18           2HD      ARG  18  -2.538  -7.172   5.296
  134    HD3  ARG  18           1HD      ARG  18  -4.056  -6.290   5.547
  135    HE   ARG  18           HE       ARG  18  -3.011  -7.228   2.975
  136   HH11  ARG  18          1HH2      ARG  18  -5.036  -4.899   4.602
  137   HH12  ARG  18          2HH2      ARG  18  -6.129  -4.733   3.270
  138   HH21  ARG  18          1HH1      ARG  18  -4.410  -6.980   1.230
  139   HH22  ARG  18          2HH1      ARG  18  -5.765  -5.908   1.347
  140    H    ASP  19           H        ASP  19   2.153  -5.090   4.437
  141    HA   ASP  19           HA       ASP  19   2.900  -4.390   7.239
  142    HB2  ASP  19           2HB      ASP  19   3.154  -6.660   5.787
  143    HB3  ASP  19           1HB      ASP  19   4.709  -5.907   5.421
  144    H    HIS  20           H        HIS  20   4.070  -3.952   3.908
  145    HA   HIS  20           HA       HIS  20   6.367  -2.319   4.741
  146    HB2  HIS  20           2HB      HIS  20   5.126  -2.972   2.042
  147    HB3  HIS  20           1HB      HIS  20   6.701  -2.219   2.265
  148    HD1  HIS  20           1HD      HIS  20   4.872  -5.472   2.956
  149    HD2  HIS  20           2HD      HIS  20   8.768  -4.014   2.855
  150    HE1  HIS  20           1HE      HIS  20   6.395  -7.482   3.173
  151    H    SER  21           H        SER  21   3.051  -1.665   4.235
  152    HA   SER  21           HA       SER  21   3.629   1.253   4.061
  153    HB2  SER  21           2HB      SER  21   3.038  -0.300   1.852
  154    HB3  SER  21           1HB      SER  21   1.451   0.273   2.332
  155    HG   SER  21           HG       SER  21   3.746   1.923   1.948
  156    H    ARG  22           H        ARG  22   2.597   1.776   6.031
  157    HA   ARG  22           HA       ARG  22   0.114   0.517   6.908
  158    HB2  ARG  22           2HB      ARG  22   1.786   2.918   7.689
  159    HB3  ARG  22           1HB      ARG  22   0.225   2.623   8.458
  160    HG2  ARG  22           2HG      ARG  22   1.077   0.981   9.743
  161    HG3  ARG  22           1HG      ARG  22   1.776   0.173   8.341
  162    HD2  ARG  22           2HD      ARG  22   3.081   2.621   9.573
  163    HD3  ARG  22           1HD      ARG  22   3.449   0.981  10.135
  164    HE   ARG  22           HE       ARG  22   4.248   2.130   7.562
  165   HH11  ARG  22          1HH2      ARG  22   3.457  -0.798   9.284
  166   HH12  ARG  22          2HH2      ARG  22   4.427  -1.804   8.262
  167   HH21  ARG  22          1HH1      ARG  22   5.526   0.789   6.238
  168   HH22  ARG  22          2HH1      ARG  22   5.600  -0.913   6.564
  169    H    CYS  23           H        CYS  23  -0.580   0.979   4.476
  170    HA   CYS  23           HA       CYS  23  -2.100   3.575   4.361
  171    HB2  CYS  23           2HB      CYS  23   0.089   2.921   2.937
  172    HB3  CYS  23           1HB      CYS  23  -1.119   2.130   1.939
  173    H    CYS  24           H        CYS  24  -2.551   0.322   4.751
  174    HA   CYS  24           HA       CYS  24  -5.262   0.363   3.641
  175    HB2  CYS  24           2HB      CYS  24  -3.207  -0.282   1.930
  176    HB3  CYS  24           1HB      CYS  24  -3.703  -1.871   2.509
  177    HN1  NH2  25           2H       CYS  24  -4.815  -1.696   6.725
  178    HN2  NH2  25           1H       CYS  24  -4.663  -0.060   6.304
  Start of MODEL   14
    1    H1   VAL   1           1HT      VAL   1   9.322   1.491   3.250
    2    H2   VAL   1           2HT      VAL   1  10.772   1.688   2.402
    3    H3   VAL   1           3HT      VAL   1  10.244   0.138   2.838
    4    HA   VAL   1           HA       VAL   1   9.499   1.793   0.576
    5    HB   VAL   1           HB       VAL   1   9.129  -0.444  -0.381
    6   HG11  VAL   1          2HG1      VAL   1  11.573  -0.355   1.416
    7   HG12  VAL   1          3HG1      VAL   1  11.456   0.305  -0.215
    8   HG13  VAL   1          1HG1      VAL   1  11.363  -1.440   0.043
    9   HG21  VAL   1          1HG2      VAL   1   9.875  -1.873   2.129
   10   HG22  VAL   1          2HG2      VAL   1   8.758  -2.351   0.844
   11   HG23  VAL   1          3HG2      VAL   1   8.237  -1.201   2.080
   12    H    GLY   2           H        GLY   2   7.252   0.514  -0.361
   13    HA2  GLY   2           2HA      GLY   2   4.979  -0.127   0.379
   14    HA3  GLY   2           1HA      GLY   2   5.177   0.945   1.747
   15    H    GLU   3           H        GLU   3   6.532   2.796  -0.500
   16    HA   GLU   3           HA       GLU   3   4.466   4.666  -0.792
   17    HB2  GLU   3           2HB      GLU   3   5.803   5.380  -2.838
   18    HB3  GLU   3           1HB      GLU   3   6.722   5.223  -1.346
   19    HG2  GLU   3           2HG      GLU   3   7.486   2.993  -2.031
   20    HG3  GLU   3           1HG      GLU   3   6.539   3.109  -3.513
   21    H    ARG   4           H        ARG   4   5.235   1.948  -2.941
   22    HA   ARG   4           HA       ARG   4   3.441   2.412  -5.056
   23    HB2  ARG   4           2HB      ARG   4   4.250   0.384  -5.657
   24    HB3  ARG   4           1HB      ARG   4   5.161   0.407  -4.158
   25    HG2  ARG   4           2HG      ARG   4   4.059  -1.574  -3.854
   26    HG3  ARG   4           1HG      ARG   4   2.825  -0.507  -3.193
   27    HD2  ARG   4           2HD      ARG   4   1.476  -1.568  -4.720
   28    HD3  ARG   4           1HD      ARG   4   2.198  -0.409  -5.853
   29    HE   ARG   4           HE       ARG   4   4.066  -2.357  -5.929
   30   HH11  ARG   4          1HH2      ARG   4   0.572  -2.544  -6.024
   31   HH12  ARG   4          2HH2      ARG   4   0.559  -4.028  -6.903
   32   HH21  ARG   4          1HH1      ARG   4   4.014  -4.290  -7.114
   33   HH22  ARG   4          2HH1      ARG   4   2.492  -5.006  -7.531
   34    H    CYS   5           H        CYS   5   2.799   1.436  -1.776
   35    HA   CYS   5           HA       CYS   5   0.170   0.348  -2.087
   36    HB2  CYS   5           2HB      CYS   5   1.932   0.445  -0.128
   37    HB3  CYS   5           1HB      CYS   5   1.077   1.922   0.303
   38    H    CYS   6           H        CYS   6   1.145   3.622  -0.945
   39    HA   CYS   6           HA       CYS   6  -1.551   4.685  -1.208
   40    HB2  CYS   6           2HB      CYS   6   0.913   5.410  -0.033
   41    HB3  CYS   6           1HB      CYS   6   0.574   6.672  -1.218
   42    H    LYS   7           H        LYS   7   1.154   4.306  -3.401
   43    HA   LYS   7           HA       LYS   7   0.361   6.366  -5.295
   44    HB2  LYS   7           2HB      LYS   7   2.277   4.101  -5.116
   45    HB3  LYS   7           1HB      LYS   7   1.855   4.652  -6.737
   46    HG2  LYS   7           2HG      LYS   7   2.953   6.631  -6.490
   47    HG3  LYS   7           1HG      LYS   7   2.429   6.817  -4.815
   48    HD2  LYS   7           2HD      LYS   7   4.707   6.448  -4.528
   49    HD3  LYS   7           1HD      LYS   7   4.063   4.816  -4.376
   50    HE2  LYS   7           2HE      LYS   7   5.296   4.143  -6.139
   51    HE3  LYS   7           1HE      LYS   7   4.514   5.360  -7.166
   52    HZ1  LYS   7           3HZ      LYS   7   6.971   5.619  -5.526
   53    HZ2  LYS   7           1HZ      LYS   7   6.061   6.996  -5.922
   54    HZ3  LYS   7           2HZ      LYS   7   6.719   6.045  -7.152
   55    H    ASN   8           H        ASN   8  -0.295   2.928  -4.902
   56    HA   ASN   8           HA       ASN   8  -1.957   2.912  -7.385
   57    HB2  ASN   8           2HB      ASN   8  -0.357   1.005  -5.789
   58    HB3  ASN   8           1HB      ASN   8  -1.836   0.351  -6.457
   59   HD21  ASN   8          1HD2      ASN   8   1.372   1.186  -7.205
   60   HD22  ASN   8          2HD2      ASN   8   1.254   0.998  -8.883
   61    H    GLY   9           H        GLY   9  -2.251   2.836  -3.920
   62    HA2  GLY   9           2HA      GLY   9  -4.132   2.665  -2.532
   63    HA3  GLY   9           1HA      GLY   9  -5.080   3.118  -3.950
   64    H    LYS  10           H        LYS  10  -6.462   1.599  -4.701
   65    HA   LYS  10           HA       LYS  10  -6.795  -0.969  -3.507
   66    HB2  LYS  10           2HB      LYS  10  -7.606   0.022  -6.267
   67    HB3  LYS  10           1HB      LYS  10  -8.337  -1.326  -5.397
   68    HG2  LYS  10           2HG      LYS  10  -8.264   1.197  -3.859
   69    HG3  LYS  10           1HG      LYS  10  -9.257   1.262  -5.315
   70    HD2  LYS  10           2HD      LYS  10 -10.583  -0.612  -4.596
   71    HD3  LYS  10           1HD      LYS  10  -9.472  -0.961  -3.271
   72    HE2  LYS  10           2HE      LYS  10 -11.444   0.214  -2.380
   73    HE3  LYS  10           1HE      LYS  10 -10.036   1.288  -2.274
   74    HZ1  LYS  10           3HZ      LYS  10 -10.665   2.384  -4.271
   75    HZ2  LYS  10           1HZ      LYS  10 -12.065   2.301  -3.320
   76    HZ3  LYS  10           2HZ      LYS  10 -11.861   1.229  -4.615
   77    H    ARG  11           H        ARG  11  -4.770   0.121  -6.177
   78    HA   ARG  11           HA       ARG  11  -4.194  -2.566  -7.173
   79    HB2  ARG  11           2HB      ARG  11  -3.070   0.208  -7.639
   80    HB3  ARG  11           1HB      ARG  11  -2.434  -1.220  -8.459
   81    HG2  ARG  11           2HG      ARG  11  -5.324  -1.202  -8.605
   82    HG3  ARG  11           1HG      ARG  11  -4.674   0.320  -9.222
   83    HD2  ARG  11           2HD      ARG  11  -3.541  -2.357 -10.054
   84    HD3  ARG  11           1HD      ARG  11  -4.869  -1.575 -10.936
   85    HE   ARG  11           HE       ARG  11  -3.270   0.495 -10.938
   86   HH11  ARG  11          1HH2      ARG  11  -2.260  -2.829 -11.138
   87   HH12  ARG  11          2HH2      ARG  11  -0.772  -2.451 -11.917
   88   HH21  ARG  11          1HH1      ARG  11  -1.322   0.975 -11.953
   89   HH22  ARG  11          2HH1      ARG  11  -0.235  -0.301 -12.381
   90    H    GLY  12           H        GLY  12  -3.129  -0.736  -4.529
   91    HA2  GLY  12           2HA      GLY  12  -0.538  -2.206  -4.402
   92    HA3  GLY  12           1HA      GLY  12  -0.876  -0.704  -3.543
   93    H    CYS  13           H        CYS  13  -3.344  -1.259  -2.407
   94    HA   CYS  13           HA       CYS  13  -2.884  -2.424   0.030
   95    HB2  CYS  13           2HB      CYS  13  -5.247  -2.232  -1.785
   96    HB3  CYS  13           1HB      CYS  13  -5.420  -3.191  -0.321
   97    H    GLY  14           H        GLY  14  -2.408  -4.459   0.787
   98    HA2  GLY  14           2HA      GLY  14  -3.419  -6.917   0.095
   99    HA3  GLY  14           1HA      GLY  14  -2.116  -6.682  -1.074
  100    H    ARG  15           H        ARG  15  -1.315  -8.684   0.214
  101    HA   ARG  15           HA       ARG  15  -0.432  -8.624   2.880
  102    HB2  ARG  15           2HB      ARG  15  -0.473 -10.580   1.364
  103    HB3  ARG  15           1HB      ARG  15   0.839  -9.883   0.419
  104    HG2  ARG  15           2HG      ARG  15   1.883 -11.437   1.888
  105    HG3  ARG  15           1HG      ARG  15   2.192  -9.853   2.593
  106    HD2  ARG  15           2HD      ARG  15   1.425 -11.560   4.300
  107    HD3  ARG  15           1HD      ARG  15   0.340 -10.166   4.187
  108    HE   ARG  15           HE       ARG  15  -1.285 -11.529   3.105
  109   HH11  ARG  15          1HH2      ARG  15   1.779 -13.151   3.435
  110   HH12  ARG  15          2HH2      ARG  15   1.145 -14.705   3.033
  111   HH21  ARG  15          1HH1      ARG  15  -2.127 -13.551   2.602
  112   HH22  ARG  15          2HH1      ARG  15  -1.097 -14.941   2.582
  113    H    TRP  16           H        TRP  16   1.422  -7.709  -0.050
  114    HA   TRP  16           HA       TRP  16   3.844  -6.874   1.154
  115    HB2  TRP  16           2HB      TRP  16   3.240  -7.038  -1.291
  116    HB3  TRP  16           1HB      TRP  16   2.334  -5.533  -1.110
  117    HD1  TRP  16           HD       TRP  16   5.884  -6.940  -0.977
  118    HE1  TRP  16           1HE      TRP  16   7.538  -5.029  -1.317
  119    HE3  TRP  16           3HE      TRP  16   2.687  -2.946  -0.886
  120    HZ2  TRP  16           2HZ      TRP  16   7.544  -2.191  -1.548
  121    HZ3  TRP  16           3HZ      TRP  16   3.548  -0.662  -1.175
  122    HH2  TRP  16           HH       TRP  16   5.975  -0.280  -1.508
  123    H    CYS  17           H        CYS  17   1.057  -4.836   0.280
  124    HA   CYS  17           HA       CYS  17   1.813  -2.427   1.523
  125    HB2  CYS  17           2HB      CYS  17  -0.693  -3.837   0.748
  126    HB3  CYS  17           1HB      CYS  17  -0.861  -2.457   1.829
  127    H    ARG  18           H        ARG  18   0.051  -5.212   2.874
  128    HA   ARG  18           HA       ARG  18  -0.586  -4.236   5.440
  129    HB2  ARG  18           2HB      ARG  18  -0.907  -6.533   4.096
  130    HB3  ARG  18           1HB      ARG  18   0.443  -7.027   5.106
  131    HG2  ARG  18           2HG      ARG  18  -0.929  -7.295   6.859
  132    HG3  ARG  18           1HG      ARG  18  -1.450  -5.615   6.738
  133    HD2  ARG  18           2HD      ARG  18  -2.571  -7.750   4.903
  134    HD3  ARG  18           1HD      ARG  18  -3.294  -7.399   6.480
  135    HE   ARG  18           HE       ARG  18  -2.968  -5.393   4.280
  136   HH11  ARG  18          1HH2      ARG  18  -4.503  -6.515   7.210
  137   HH12  ARG  18          2HH2      ARG  18  -5.637  -5.214   7.258
  138   HH21  ARG  18          1HH1      ARG  18  -4.468  -3.695   4.362
  139   HH22  ARG  18          2HH1      ARG  18  -5.624  -3.629   5.644
  140    H    ASP  19           H        ASP  19   2.439  -5.858   4.396
  141    HA   ASP  19           HA       ASP  19   3.648  -5.337   7.058
  142    HB2  ASP  19           2HB      ASP  19   3.673  -7.447   5.393
  143    HB3  ASP  19           1HB      ASP  19   5.114  -6.620   4.799
  144    H    HIS  20           H        HIS  20   3.925  -4.164   3.735
  145    HA   HIS  20           HA       HIS  20   6.449  -2.726   4.410
  146    HB2  HIS  20           2HB      HIS  20   4.936  -3.161   1.818
  147    HB3  HIS  20           1HB      HIS  20   6.522  -2.405   1.951
  148    HD1  HIS  20           1HD      HIS  20   4.808  -5.733   2.677
  149    HD2  HIS  20           2HD      HIS  20   8.625  -4.208   1.995
  150    HE1  HIS  20           1HE      HIS  20   6.364  -7.730   2.524
  151    H    SER  21           H        SER  21   3.027  -2.001   3.950
  152    HA   SER  21           HA       SER  21   3.777   0.903   3.898
  153    HB2  SER  21           2HB      SER  21   1.244  -0.008   2.651
  154    HB3  SER  21           1HB      SER  21   2.352   1.250   2.144
  155    HG   SER  21           HG       SER  21   3.804  -0.700   1.717
  156    H    ARG  22           H        ARG  22   2.244   2.361   4.821
  157    HA   ARG  22           HA       ARG  22   0.443   1.116   6.869
  158    HB2  ARG  22           2HB      ARG  22   1.936   3.761   6.758
  159    HB3  ARG  22           1HB      ARG  22   0.833   3.300   8.052
  160    HG2  ARG  22           2HG      ARG  22   2.922   1.304   7.390
  161    HG3  ARG  22           1HG      ARG  22   3.499   2.801   8.122
  162    HD2  ARG  22           2HD      ARG  22   1.254   1.096   9.267
  163    HD3  ARG  22           1HD      ARG  22   2.929   1.070   9.837
  164    HE   ARG  22           HE       ARG  22   1.025   3.316  10.181
  165   HH11  ARG  22          1HH2      ARG  22   4.309   2.139  10.346
  166   HH12  ARG  22          2HH2      ARG  22   4.848   3.431  11.353
  167   HH21  ARG  22          1HH1      ARG  22   1.758   5.004  11.484
  168   HH22  ARG  22          2HH1      ARG  22   3.414   5.050  11.993
  169    H    CYS  23           H        CYS  23   0.448   2.765   3.911
  170    HA   CYS  23           HA       CYS  23  -1.825   4.545   4.304
  171    HB2  CYS  23           2HB      CYS  23  -0.067   4.989   2.672
  172    HB3  CYS  23           1HB      CYS  23  -0.350   3.437   1.892
  173    H    CYS  24           H        CYS  24  -1.486   1.141   3.657
  174    HA   CYS  24           HA       CYS  24  -4.301   0.987   2.650
  175    HB2  CYS  24           2HB      CYS  24  -1.784  -0.558   2.339
  176    HB3  CYS  24           1HB      CYS  24  -3.253  -1.523   2.434
  177    HN1  NH2  25           2H       CYS  24  -4.511   0.189   6.321
  178    HN2  NH2  25           1H       CYS  24  -4.158   1.572   5.403
  Start of MODEL   15
    1    H1   VAL   1           1HT      VAL   1  10.128   2.215   1.389
    2    H2   VAL   1           2HT      VAL   1   9.686   2.747  -0.166
    3    H3   VAL   1           3HT      VAL   1  11.093   1.836   0.046
    4    HA   VAL   1           HA       VAL   1   9.328   0.458  -0.878
    5    HB   VAL   1           HB       VAL   1   9.759  -0.249   2.042
    6   HG11  VAL   1          2HG1      VAL   1   8.452  -1.865   0.814
    7   HG12  VAL   1          3HG1      VAL   1  10.071  -2.532   1.008
    8   HG13  VAL   1          1HG1      VAL   1   9.594  -1.833  -0.534
    9   HG21  VAL   1          1HG2      VAL   1  11.959   0.323   1.550
   10   HG22  VAL   1          2HG2      VAL   1  11.766  -0.005  -0.174
   11   HG23  VAL   1          3HG2      VAL   1  11.928  -1.346   0.962
   12    H    GLY   2           H        GLY   2   7.239  -0.637  -0.324
   13    HA2  GLY   2           2HA      GLY   2   5.038  -0.661   0.535
   14    HA3  GLY   2           1HA      GLY   2   5.536   0.498   1.744
   15    H    GLU   3           H        GLU   3   6.445   2.588   0.055
   16    HA   GLU   3           HA       GLU   3   4.378   4.277  -0.401
   17    HB2  GLU   3           2HB      GLU   3   5.816   5.185  -2.279
   18    HB3  GLU   3           1HB      GLU   3   6.674   4.881  -0.768
   19    HG2  GLU   3           2HG      GLU   3   7.327   2.618  -1.691
   20    HG3  GLU   3           1HG      GLU   3   6.639   3.115  -3.234
   21    H    ARG   4           H        ARG   4   5.282   1.688  -2.670
   22    HA   ARG   4           HA       ARG   4   3.704   2.304  -4.884
   23    HB2  ARG   4           2HB      ARG   4   4.858   0.405  -5.343
   24    HB3  ARG   4           1HB      ARG   4   5.005   0.011  -3.638
   25    HG2  ARG   4           2HG      ARG   4   3.733  -1.771  -4.306
   26    HG3  ARG   4           1HG      ARG   4   2.428  -0.637  -3.952
   27    HD2  ARG   4           2HD      ARG   4   2.611   0.111  -6.404
   28    HD3  ARG   4           1HD      ARG   4   3.596  -1.339  -6.664
   29    HE   ARG   4           HE       ARG   4   0.712  -1.295  -6.043
   30   HH11  ARG   4          1HH2      ARG   4   3.674  -3.116  -6.162
   31   HH12  ARG   4          2HH2      ARG   4   2.877  -4.638  -6.337
   32   HH21  ARG   4          1HH1      ARG   4  -0.336  -3.293  -6.225
   33   HH22  ARG   4          2HH1      ARG   4   0.604  -4.745  -6.338
   34    H    CYS   5           H        CYS   5   2.726   1.148  -1.718
   35    HA   CYS   5           HA       CYS   5   0.082   0.257  -2.311
   36    HB2  CYS   5           2HB      CYS   5   1.525   0.050  -0.185
   37    HB3  CYS   5           1HB      CYS   5   0.979   1.681   0.198
   38    H    CYS   6           H        CYS   6   1.064   3.417  -0.882
   39    HA   CYS   6           HA       CYS   6  -1.469   4.704  -1.331
   40    HB2  CYS   6           2HB      CYS   6   1.131   5.300  -0.259
   41    HB3  CYS   6           1HB      CYS   6   0.698   6.581  -1.383
   42    H    LYS   7           H        LYS   7   1.526   4.510  -3.252
   43    HA   LYS   7           HA       LYS   7   0.935   6.327  -5.332
   44    HB2  LYS   7           2HB      LYS   7   2.563   3.875  -4.931
   45    HB3  LYS   7           1HB      LYS   7   2.263   4.332  -6.605
   46    HG2  LYS   7           2HG      LYS   7   3.665   6.101  -6.488
   47    HG3  LYS   7           1HG      LYS   7   3.000   6.627  -4.942
   48    HD2  LYS   7           2HD      LYS   7   5.186   6.055  -4.372
   49    HD3  LYS   7           1HD      LYS   7   4.298   4.592  -3.971
   50    HE2  LYS   7           2HE      LYS   7   5.673   3.443  -5.365
   51    HE3  LYS   7           1HE      LYS   7   4.991   4.366  -6.719
   52    HZ1  LYS   7           3HZ      LYS   7   7.284   5.176  -4.981
   53    HZ2  LYS   7           1HZ      LYS   7   6.543   6.198  -6.124
   54    HZ3  LYS   7           2HZ      LYS   7   7.334   4.794  -6.642
   55    H    ASN   8           H        ASN   8  -0.408   3.156  -4.691
   56    HA   ASN   8           HA       ASN   8  -1.903   3.285  -7.290
   57    HB2  ASN   8           2HB      ASN   8  -0.322   1.240  -5.890
   58    HB3  ASN   8           1HB      ASN   8  -1.847   0.650  -6.522
   59   HD21  ASN   8          1HD2      ASN   8   1.330   1.154  -7.353
   60   HD22  ASN   8          2HD2      ASN   8   1.149   1.222  -9.028
   61    H    GLY   9           H        GLY   9  -2.312   3.412  -3.916
   62    HA2  GLY   9           2HA      GLY   9  -4.199   3.211  -2.545
   63    HA3  GLY   9           1HA      GLY   9  -5.141   3.483  -4.009
   64    H    LYS  10           H        LYS  10  -6.574   1.867  -4.330
   65    HA   LYS  10           HA       LYS  10  -6.591  -0.644  -3.025
   66    HB2  LYS  10           2HB      LYS  10  -8.234  -1.233  -4.847
   67    HB3  LYS  10           1HB      LYS  10  -8.562   0.309  -4.063
   68    HG2  LYS  10           2HG      LYS  10  -8.526   1.286  -6.091
   69    HG3  LYS  10           1HG      LYS  10  -6.815   0.890  -6.214
   70    HD2  LYS  10           2HD      LYS  10  -7.344  -0.462  -7.944
   71    HD3  LYS  10           1HD      LYS  10  -8.146  -1.515  -6.782
   72    HE2  LYS  10           2HE      LYS  10  -9.736  -0.944  -8.551
   73    HE3  LYS  10           1HE      LYS  10 -10.231  -0.110  -7.063
   74    HZ1  LYS  10           3HZ      LYS  10  -8.353   1.194  -8.929
   75    HZ2  LYS  10           1HZ      LYS  10  -9.419   1.901  -7.812
   76    HZ3  LYS  10           2HZ      LYS  10 -10.020   1.236  -9.245
   77    H    ARG  11           H        ARG  11  -4.886   0.358  -5.938
   78    HA   ARG  11           HA       ARG  11  -4.270  -2.325  -6.899
   79    HB2  ARG  11           2HB      ARG  11  -3.112   0.432  -7.422
   80    HB3  ARG  11           1HB      ARG  11  -2.679  -1.004  -8.339
   81    HG2  ARG  11           2HG      ARG  11  -4.680  -1.090  -9.424
   82    HG3  ARG  11           1HG      ARG  11  -5.576  -0.442  -8.053
   83    HD2  ARG  11           2HD      ARG  11  -5.532   1.242  -9.824
   84    HD3  ARG  11           1HD      ARG  11  -4.494   1.784  -8.491
   85    HE   ARG  11           HE       ARG  11  -2.566   1.333  -9.822
   86   HH11  ARG  11          1HH2      ARG  11  -5.504   0.177 -11.312
   87   HH12  ARG  11          2HH2      ARG  11  -4.777  -0.036 -12.863
   88   HH21  ARG  11          1HH1      ARG  11  -1.630   1.062 -11.864
   89   HH22  ARG  11          2HH1      ARG  11  -2.579   0.458 -13.181
   90    H    GLY  12           H        GLY  12  -3.133  -0.434  -4.331
   91    HA2  GLY  12           2HA      GLY  12  -0.468  -1.761  -4.316
   92    HA3  GLY  12           1HA      GLY  12  -0.906  -0.339  -3.371
   93    H    CYS  13           H        CYS  13  -3.521  -1.626  -2.559
   94    HA   CYS  13           HA       CYS  13  -2.865  -2.666  -0.040
   95    HB2  CYS  13           2HB      CYS  13  -5.167  -2.655  -1.892
   96    HB3  CYS  13           1HB      CYS  13  -5.208  -3.945  -0.696
   97    H    GLY  14           H        GLY  14  -2.544  -4.755   0.775
   98    HA2  GLY  14           2HA      GLY  14  -2.882  -7.260  -0.138
   99    HA3  GLY  14           1HA      GLY  14  -1.533  -6.747  -1.160
  100    H    ARG  15           H        ARG  15  -1.132  -8.846   0.607
  101    HA   ARG  15           HA       ARG  15  -0.259  -8.361   3.219
  102    HB2  ARG  15           2HB      ARG  15   1.474 -10.193   2.663
  103    HB3  ARG  15           1HB      ARG  15  -0.219 -10.585   2.384
  104    HG2  ARG  15           2HG      ARG  15   0.181 -10.953   0.199
  105    HG3  ARG  15           1HG      ARG  15   0.881  -9.352   0.012
  106    HD2  ARG  15           2HD      ARG  15   2.594 -10.955  -0.575
  107    HD3  ARG  15           1HD      ARG  15   3.026 -10.293   1.014
  108    HE   ARG  15           HE       ARG  15   1.385 -12.786   0.863
  109   HH11  ARG  15          1HH2      ARG  15   4.312 -11.119   1.799
  110   HH12  ARG  15          2HH2      ARG  15   4.850 -12.400   2.814
  111   HH21  ARG  15          1HH1      ARG  15   2.121 -14.441   2.211
  112   HH22  ARG  15          2HH1      ARG  15   3.623 -14.269   3.044
  113    H    TRP  16           H        TRP  16   1.515  -7.724   0.206
  114    HA   TRP  16           HA       TRP  16   4.028  -6.880   1.231
  115    HB2  TRP  16           2HB      TRP  16   3.300  -7.222  -1.154
  116    HB3  TRP  16           1HB      TRP  16   2.402  -5.709  -1.051
  117    HD1  TRP  16           HD       TRP  16   5.936  -7.108  -1.024
  118    HE1  TRP  16           1HE      TRP  16   7.566  -5.246  -1.612
  119    HE3  TRP  16           3HE      TRP  16   2.761  -3.103  -0.944
  120    HZ2  TRP  16           2HZ      TRP  16   7.554  -2.412  -2.027
  121    HZ3  TRP  16           3HZ      TRP  16   3.609  -0.837  -1.435
  122    HH2  TRP  16           HH       TRP  16   5.996  -0.483  -1.976
  123    H    CYS  17           H        CYS  17   1.252  -4.764   0.335
  124    HA   CYS  17           HA       CYS  17   2.270  -2.422   1.627
  125    HB2  CYS  17           2HB      CYS  17   0.410  -2.442   0.009
  126    HB3  CYS  17           1HB      CYS  17  -0.582  -3.350   1.149
  127    H    ARG  18           H        ARG  18   0.065  -4.990   2.789
  128    HA   ARG  18           HA       ARG  18  -0.614  -4.134   5.341
  129    HB2  ARG  18           2HB      ARG  18  -0.925  -6.377   3.996
  130    HB3  ARG  18           1HB      ARG  18   0.480  -6.897   4.911
  131    HG2  ARG  18           2HG      ARG  18  -0.635  -6.773   6.958
  132    HG3  ARG  18           1HG      ARG  18  -1.838  -5.637   6.346
  133    HD2  ARG  18           2HD      ARG  18  -1.683  -8.410   5.163
  134    HD3  ARG  18           1HD      ARG  18  -2.566  -8.141   6.680
  135    HE   ARG  18           HE       ARG  18  -3.351  -6.083   4.900
  136   HH11  ARG  18          1HH2      ARG  18  -3.476  -9.564   5.065
  137   HH12  ARG  18          2HH2      ARG  18  -4.973  -9.672   4.215
  138   HH21  ARG  18          1HH1      ARG  18  -5.334  -6.229   3.825
  139   HH22  ARG  18          2HH1      ARG  18  -6.036  -7.780   3.521
  140    H    ASP  19           H        ASP  19   2.463  -5.734   4.451
  141    HA   ASP  19           HA       ASP  19   3.550  -5.180   7.153
  142    HB2  ASP  19           2HB      ASP  19   3.721  -7.324   5.601
  143    HB3  ASP  19           1HB      ASP  19   5.087  -6.438   4.910
  144    H    HIS  20           H        HIS  20   3.850  -3.958   3.874
  145    HA   HIS  20           HA       HIS  20   6.345  -2.479   4.588
  146    HB2  HIS  20           2HB      HIS  20   4.885  -2.993   1.976
  147    HB3  HIS  20           1HB      HIS  20   6.421  -2.144   2.110
  148    HD1  HIS  20           1HD      HIS  20   4.908  -5.547   2.911
  149    HD2  HIS  20           2HD      HIS  20   8.615  -3.841   2.121
  150    HE1  HIS  20           1HE      HIS  20   6.569  -7.457   2.778
  151    H    SER  21           H        SER  21   2.947  -1.857   4.400
  152    HA   SER  21           HA       SER  21   3.516   1.064   4.466
  153    HB2  SER  21           2HB      SER  21   2.749  -0.388   2.147
  154    HB3  SER  21           1HB      SER  21   1.350   0.560   2.632
  155    HG   SER  21           HG       SER  21   3.954   1.681   2.524
  156    H    ARG  22           H        ARG  22   1.834   2.300   5.356
  157    HA   ARG  22           HA       ARG  22  -0.289   0.780   6.802
  158    HB2  ARG  22           2HB      ARG  22   0.658   3.658   7.058
  159    HB3  ARG  22           1HB      ARG  22  -0.412   2.812   8.175
  160    HG2  ARG  22           2HG      ARG  22   1.388   2.065   9.308
  161    HG3  ARG  22           1HG      ARG  22   1.918   1.200   7.867
  162    HD2  ARG  22           2HD      ARG  22   3.674   2.770   8.635
  163    HD3  ARG  22           1HD      ARG  22   3.050   3.263   7.057
  164    HE   ARG  22           HE       ARG  22   1.758   5.019   8.135
  165   HH11  ARG  22          1HH2      ARG  22   3.782   3.180  10.292
  166   HH12  ARG  22          2HH2      ARG  22   3.748   4.374  11.540
  167   HH21  ARG  22          1HH1      ARG  22   1.733   6.583   9.755
  168   HH22  ARG  22          2HH1      ARG  22   2.577   6.308  11.239
  169    H    CYS  23           H        CYS  23   0.199   2.681   4.013
  170    HA   CYS  23           HA       CYS  23  -2.346   4.086   3.877
  171    HB2  CYS  23           2HB      CYS  23  -0.214   4.746   2.752
  172    HB3  CYS  23           1HB      CYS  23  -0.318   3.303   1.745
  173    H    CYS  24           H        CYS  24  -3.278   1.663   4.533
  174    HA   CYS  24           HA       CYS  24  -4.998   0.866   2.384
  175    HB2  CYS  24           2HB      CYS  24  -2.331  -0.261   2.383
  176    HB3  CYS  24           1HB      CYS  24  -3.510  -1.544   2.631
  177    HN1  NH2  25           2H       CYS  24  -6.141  -0.044   5.781
  178    HN2  NH2  25           1H       CYS  24  -5.859   1.359   4.870
  Start of MODEL   16
    1    H1   VAL   1           1HT      VAL   1  10.082   2.341   2.577
    2    H2   VAL   1           2HT      VAL   1  11.341   1.211   2.652
    3    H3   VAL   1           3HT      VAL   1   9.935   0.985   3.577
    4    HA   VAL   1           HA       VAL   1   9.903   1.079   0.614
    5    HB   VAL   1           HB       VAL   1  11.396  -0.709   1.351
    6   HG11  VAL   1          2HG1      VAL   1   9.329  -1.074   3.459
    7   HG12  VAL   1          3HG1      VAL   1  11.069  -1.329   3.533
    8   HG13  VAL   1          1HG1      VAL   1  10.027  -2.549   2.805
    9   HG21  VAL   1          1HG2      VAL   1   8.753  -2.074   0.869
   10   HG22  VAL   1          2HG2      VAL   1  10.347  -2.517   0.260
   11   HG23  VAL   1          3HG2      VAL   1   9.514  -1.104  -0.390
   12    H    GLY   2           H        GLY   2   7.782   0.887  -0.149
   13    HA2  GLY   2           2HA      GLY   2   5.561  -0.359   0.596
   14    HA3  GLY   2           1HA      GLY   2   5.636   0.805   1.902
   15    H    GLU   3           H        GLU   3   6.884   2.736  -0.167
   16    HA   GLU   3           HA       GLU   3   4.863   4.497  -0.687
   17    HB2  GLU   3           2HB      GLU   3   6.255   5.079  -2.755
   18    HB3  GLU   3           1HB      GLU   3   7.128   5.008  -1.224
   19    HG2  GLU   3           2HG      GLU   3   7.981   2.800  -1.729
   20    HG3  GLU   3           1HG      GLU   3   6.929   2.661  -3.132
   21    H    ARG   4           H        ARG   4   5.487   1.614  -2.645
   22    HA   ARG   4           HA       ARG   4   3.889   2.193  -4.899
   23    HB2  ARG   4           2HB      ARG   4   4.367  -0.458  -3.509
   24    HB3  ARG   4           1HB      ARG   4   3.859  -0.259  -5.180
   25    HG2  ARG   4           2HG      ARG   4   6.511   0.444  -3.932
   26    HG3  ARG   4           1HG      ARG   4   6.177  -0.571  -5.331
   27    HD2  ARG   4           2HD      ARG   4   5.563   1.349  -6.682
   28    HD3  ARG   4           1HD      ARG   4   5.683   2.423  -5.275
   29    HE   ARG   4           HE       ARG   4   8.053   2.306  -5.406
   30   HH11  ARG   4          1HH2      ARG   4   6.518  -0.084  -7.456
   31   HH12  ARG   4          2HH2      ARG   4   7.997  -0.536  -8.231
   32   HH21  ARG   4          1HH1      ARG   4   9.962   1.679  -6.422
   33   HH22  ARG   4          2HH1      ARG   4   9.939   0.455  -7.650
   34    H    CYS   5           H        CYS   5   2.857   1.144  -1.689
   35    HA   CYS   5           HA       CYS   5   0.276   0.151  -2.414
   36    HB2  CYS   5           2HB      CYS   5   1.416  -0.212  -0.276
   37    HB3  CYS   5           1HB      CYS   5   1.222   1.495   0.122
   38    H    CYS   6           H        CYS   6   0.726   3.284  -0.665
   39    HA   CYS   6           HA       CYS   6  -1.833   4.318  -1.324
   40    HB2  CYS   6           2HB      CYS   6   0.574   5.184  -0.067
   41    HB3  CYS   6           1HB      CYS   6   0.119   6.433  -1.223
   42    H    LYS   7           H        LYS   7   1.193   4.422  -3.183
   43    HA   LYS   7           HA       LYS   7   0.462   6.220  -5.265
   44    HB2  LYS   7           2HB      LYS   7   2.485   4.287  -4.654
   45    HB3  LYS   7           1HB      LYS   7   1.929   3.982  -6.288
   46    HG2  LYS   7           2HG      LYS   7   2.779   6.695  -5.257
   47    HG3  LYS   7           1HG      LYS   7   3.812   5.604  -6.179
   48    HD2  LYS   7           2HD      LYS   7   1.178   6.754  -7.143
   49    HD3  LYS   7           1HD      LYS   7   2.778   7.299  -7.646
   50    HE2  LYS   7           2HE      LYS   7   2.981   5.594  -9.143
   51    HE3  LYS   7           1HE      LYS   7   2.458   4.393  -7.948
   52    HZ1  LYS   7           3HZ      LYS   7   0.803   4.543  -9.648
   53    HZ2  LYS   7           1HZ      LYS   7   0.727   6.226  -9.509
   54    HZ3  LYS   7           2HZ      LYS   7   0.163   5.246  -8.234
   55    H    ASN   8           H        ASN   8  -0.517   2.945  -4.603
   56    HA   ASN   8           HA       ASN   8  -1.844   2.693  -7.267
   57    HB2  ASN   8           2HB      ASN   8  -0.623   0.911  -5.227
   58    HB3  ASN   8           1HB      ASN   8  -1.982   0.256  -6.117
   59   HD21  ASN   8          1HD2      ASN   8   1.327   0.525  -6.229
   60   HD22  ASN   8          2HD2      ASN   8   1.534   0.357  -7.895
   61    H    GLY   9           H        GLY   9  -2.538   3.161  -3.906
   62    HA2  GLY   9           2HA      GLY   9  -4.584   3.333  -2.768
   63    HA3  GLY   9           1HA      GLY   9  -5.354   3.473  -4.344
   64    H    LYS  10           H        LYS  10  -6.695   1.837  -4.870
   65    HA   LYS  10           HA       LYS  10  -7.111  -0.457  -3.220
   66    HB2  LYS  10           2HB      LYS  10  -7.778   0.193  -6.108
   67    HB3  LYS  10           1HB      LYS  10  -8.407  -1.227  -5.268
   68    HG2  LYS  10           2HG      LYS  10  -9.081   0.595  -3.432
   69    HG3  LYS  10           1HG      LYS  10  -9.040   1.668  -4.834
   70    HD2  LYS  10           2HD      LYS  10 -10.421  -0.429  -5.884
   71    HD3  LYS  10           1HD      LYS  10 -10.924  -0.534  -4.196
   72    HE2  LYS  10           2HE      LYS  10 -12.468   0.944  -5.416
   73    HE3  LYS  10           1HE      LYS  10 -11.523   1.912  -4.271
   74    HZ1  LYS  10           3HZ      LYS  10 -10.270   1.507  -6.855
   75    HZ2  LYS  10           1HZ      LYS  10 -10.394   2.916  -5.922
   76    HZ3  LYS  10           2HZ      LYS  10 -11.687   2.432  -6.902
   77    H    ARG  11           H        ARG  11  -5.000   0.106  -5.995
   78    HA   ARG  11           HA       ARG  11  -4.311  -2.707  -6.365
   79    HB2  ARG  11           2HB      ARG  11  -3.016  -0.106  -7.244
   80    HB3  ARG  11           1HB      ARG  11  -2.502  -1.698  -7.786
   81    HG2  ARG  11           2HG      ARG  11  -5.116  -1.918  -8.358
   82    HG3  ARG  11           1HG      ARG  11  -4.962  -0.162  -8.477
   83    HD2  ARG  11           2HD      ARG  11  -4.455  -0.969 -10.683
   84    HD3  ARG  11           1HD      ARG  11  -2.871  -0.632  -9.955
   85    HE   ARG  11           HE       ARG  11  -3.880  -3.357  -9.480
   86   HH11  ARG  11          1HH2      ARG  11  -1.995  -1.246 -11.520
   87   HH12  ARG  11          2HH2      ARG  11  -1.029  -2.531 -12.162
   88   HH21  ARG  11          1HH1      ARG  11  -2.641  -5.027 -10.350
   89   HH22  ARG  11          2HH1      ARG  11  -1.392  -4.674 -11.490
   90    H    GLY  12           H        GLY  12  -3.311  -0.171  -4.273
   91    HA2  GLY  12           2HA      GLY  12  -0.724  -1.298  -3.576
   92    HA3  GLY  12           1HA      GLY  12  -1.550   0.007  -2.727
   93    H    CYS  13           H        CYS  13  -4.021  -1.467  -2.282
   94    HA   CYS  13           HA       CYS  13  -3.489  -2.682   0.228
   95    HB2  CYS  13           2HB      CYS  13  -5.687  -2.076  -1.419
   96    HB3  CYS  13           1HB      CYS  13  -5.822  -3.797  -1.093
   97    H    GLY  14           H        GLY  14  -2.338  -4.493   0.586
   98    HA2  GLY  14           2HA      GLY  14  -2.934  -7.056  -0.445
   99    HA3  GLY  14           1HA      GLY  14  -1.614  -6.401  -1.418
  100    H    ARG  15           H        ARG  15  -1.068  -8.631   0.105
  101    HA   ARG  15           HA       ARG  15  -0.236  -8.439   2.763
  102    HB2  ARG  15           2HB      ARG  15  -0.007 -10.522   1.683
  103    HB3  ARG  15           1HB      ARG  15   0.840  -9.822   0.309
  104    HG2  ARG  15           2HG      ARG  15   2.625 -10.819   1.407
  105    HG3  ARG  15           1HG      ARG  15   2.665  -9.228   2.159
  106    HD2  ARG  15           2HD      ARG  15   2.762 -10.703   3.998
  107    HD3  ARG  15           1HD      ARG  15   1.038 -10.285   3.919
  108    HE   ARG  15           HE       ARG  15   1.268 -12.465   2.207
  109   HH11  ARG  15          1HH2      ARG  15   2.099 -11.793   5.516
  110   HH12  ARG  15          2HH2      ARG  15   1.910 -13.435   6.025
  111   HH21  ARG  15          1HH1      ARG  15   1.016 -14.604   2.877
  112   HH22  ARG  15          2HH1      ARG  15   1.291 -15.025   4.531
  113    H    TRP  16           H        TRP  16   1.827  -7.658  -0.063
  114    HA   TRP  16           HA       TRP  16   4.125  -6.692   1.235
  115    HB2  TRP  16           2HB      TRP  16   3.587  -7.025  -1.238
  116    HB3  TRP  16           1HB      TRP  16   2.816  -5.436  -1.188
  117    HD1  TRP  16           HD       TRP  16   6.208  -7.144  -0.875
  118    HE1  TRP  16           1HE      TRP  16   8.046  -5.383  -1.136
  119    HE3  TRP  16           3HE      TRP  16   3.352  -2.930  -0.935
  120    HZ2  TRP  16           2HZ      TRP  16   8.280  -2.509  -1.339
  121    HZ3  TRP  16           3HZ      TRP  16   4.397  -0.706  -1.159
  122    HH2  TRP  16           HH       TRP  16   6.859  -0.487  -1.371
  123    H    CYS  17           H        CYS  17   1.458  -4.594   0.046
  124    HA   CYS  17           HA       CYS  17   2.315  -2.240   1.400
  125    HB2  CYS  17           2HB      CYS  17   0.731  -1.993  -0.315
  126    HB3  CYS  17           1HB      CYS  17  -0.283  -3.272   0.309
  127    H    ARG  18           H        ARG  18  -0.032  -4.728   2.361
  128    HA   ARG  18           HA       ARG  18  -0.981  -3.677   4.780
  129    HB2  ARG  18           2HB      ARG  18  -0.628  -6.297   3.523
  130    HB3  ARG  18           1HB      ARG  18  -0.636  -6.377   5.286
  131    HG2  ARG  18           2HG      ARG  18  -2.731  -4.943   5.238
  132    HG3  ARG  18           1HG      ARG  18  -2.769  -5.190   3.491
  133    HD2  ARG  18           2HD      ARG  18  -2.516  -7.599   5.273
  134    HD3  ARG  18           1HD      ARG  18  -4.109  -6.844   5.074
  135    HE   ARG  18           HE       ARG  18  -2.467  -8.044   2.906
  136   HH11  ARG  18          1HH2      ARG  18  -5.297  -6.297   3.900
  137   HH12  ARG  18          2HH2      ARG  18  -6.226  -6.746   2.515
  138   HH21  ARG  18          1HH1      ARG  18  -3.670  -8.617   1.072
  139   HH22  ARG  18          2HH1      ARG  18  -5.293  -8.043   0.891
  140    H    ASP  19           H        ASP  19   2.066  -5.469   4.250
  141    HA   ASP  19           HA       ASP  19   2.833  -5.121   7.101
  142    HB2  ASP  19           2HB      ASP  19   3.058  -7.211   5.488
  143    HB3  ASP  19           1HB      ASP  19   4.540  -6.392   4.986
  144    H    HIS  20           H        HIS  20   3.847  -3.988   3.882
  145    HA   HIS  20           HA       HIS  20   6.181  -2.566   5.055
  146    HB2  HIS  20           2HB      HIS  20   5.177  -2.908   2.206
  147    HB3  HIS  20           1HB      HIS  20   6.728  -2.218   2.663
  148    HD1  HIS  20           1HD      HIS  20   4.801  -5.497   2.894
  149    HD2  HIS  20           2HD      HIS  20   8.724  -4.118   3.062
  150    HE1  HIS  20           1HE      HIS  20   6.283  -7.550   2.975
  151    H    SER  21           H        SER  21   3.374  -1.800   3.011
  152    HA   SER  21           HA       SER  21   3.805   1.070   3.111
  153    HB2  SER  21           2HB      SER  21   1.438  -0.622   2.304
  154    HB3  SER  21           1HB      SER  21   1.706   1.043   1.833
  155    HG   SER  21           HG       SER  21   3.367   0.427   0.563
  156    H    ARG  22           H        ARG  22   2.172   2.595   3.907
  157    HA   ARG  22           HA       ARG  22   0.691   1.633   6.333
  158    HB2  ARG  22           2HB      ARG  22   2.720   3.624   5.981
  159    HB3  ARG  22           1HB      ARG  22   1.217   4.462   6.371
  160    HG2  ARG  22           2HG      ARG  22   1.096   2.396   8.141
  161    HG3  ARG  22           1HG      ARG  22   2.845   2.624   8.031
  162    HD2  ARG  22           2HD      ARG  22   1.945   4.051   9.829
  163    HD3  ARG  22           1HD      ARG  22   2.500   5.076   8.492
  164    HE   ARG  22           HE       ARG  22  -0.048   4.772   7.729
  165   HH11  ARG  22          1HH2      ARG  22   1.211   5.227  10.955
  166   HH12  ARG  22          2HH2      ARG  22  -0.220   6.011  11.528
  167   HH21  ARG  22          1HH1      ARG  22  -1.905   5.808   8.503
  168   HH22  ARG  22          2HH1      ARG  22  -1.976   6.335  10.146
  169    H    CYS  23           H        CYS  23  -0.161   1.821   3.466
  170    HA   CYS  23           HA       CYS  23  -2.303   3.896   3.674
  171    HB2  CYS  23           2HB      CYS  23  -0.463   3.883   1.841
  172    HB3  CYS  23           1HB      CYS  23  -1.332   2.505   1.174
  173    H    CYS  24           H        CYS  24  -1.675   0.508   3.670
  174    HA   CYS  24           HA       CYS  24  -4.561  -0.101   3.677
  175    HB2  CYS  24           2HB      CYS  24  -2.903  -0.350   1.342
  176    HB3  CYS  24           1HB      CYS  24  -3.390  -1.954   1.879
  177    HN1  NH2  25           2H       CYS  24  -2.114  -2.049   5.934
  178    HN2  NH2  25           1H       CYS  24  -2.214  -0.389   5.584
  Start of MODEL   17
    1    H1   VAL   1           1HT      VAL   1  11.578   1.463   0.843
    2    H2   VAL   1           2HT      VAL   1  10.332   1.969   1.879
    3    H3   VAL   1           3HT      VAL   1  10.406   2.555   0.287
    4    HA   VAL   1           HA       VAL   1   9.729   0.556  -0.652
    5    HB   VAL   1           HB       VAL   1  11.354  -0.792   0.588
    6   HG11  VAL   1          2HG1      VAL   1  11.019   0.258   2.813
    7   HG12  VAL   1          3HG1      VAL   1  10.951  -1.499   2.897
    8   HG13  VAL   1          1HG1      VAL   1   9.461  -0.558   2.951
    9   HG21  VAL   1          1HG2      VAL   1  10.032  -2.804   0.911
   10   HG22  VAL   1          2HG2      VAL   1   9.408  -1.916  -0.477
   11   HG23  VAL   1          3HG2      VAL   1   8.554  -1.852   1.068
   12    H    GLY   2           H        GLY   2   7.574  -0.364  -0.489
   13    HA2  GLY   2           2HA      GLY   2   5.402  -0.637   0.541
   14    HA3  GLY   2           1HA      GLY   2   5.865   0.538   1.764
   15    H    GLU   3           H        GLU   3   6.812   2.577   0.088
   16    HA   GLU   3           HA       GLU   3   4.832   4.337  -0.424
   17    HB2  GLU   3           2HB      GLU   3   6.342   5.038  -2.411
   18    HB3  GLU   3           1HB      GLU   3   7.069   4.955  -0.807
   19    HG2  GLU   3           2HG      GLU   3   7.460   2.389  -1.635
   20    HG3  GLU   3           1HG      GLU   3   7.527   3.224  -3.178
   21    H    ARG   4           H        ARG   4   5.762   1.861  -2.806
   22    HA   ARG   4           HA       ARG   4   4.159   2.538  -4.984
   23    HB2  ARG   4           2HB      ARG   4   5.199   0.652  -5.639
   24    HB3  ARG   4           1HB      ARG   4   5.622   0.292  -3.971
   25    HG2  ARG   4           2HG      ARG   4   4.395  -1.591  -4.577
   26    HG3  ARG   4           1HG      ARG   4   3.152  -0.598  -3.824
   27    HD2  ARG   4           2HD      ARG   4   1.995  -0.459  -5.774
   28    HD3  ARG   4           1HD      ARG   4   3.450   0.067  -6.645
   29    HE   ARG   4           HE       ARG   4   3.105  -2.818  -5.949
   30   HH11  ARG   4          1HH2      ARG   4   3.528  -0.277  -8.306
   31   HH12  ARG   4          2HH2      ARG   4   3.811  -1.375  -9.605
   32   HH21  ARG   4          1HH1      ARG   4   3.494  -4.229  -7.668
   33   HH22  ARG   4          2HH1      ARG   4   3.791  -3.596  -9.249
   34    H    CYS   5           H        CYS   5   3.130   1.194  -1.900
   35    HA   CYS   5           HA       CYS   5   0.543   0.220  -2.632
   36    HB2  CYS   5           2HB      CYS   5   1.659  -0.270  -0.516
   37    HB3  CYS   5           1HB      CYS   5   1.640   1.437  -0.077
   38    H    CYS   6           H        CYS   6   1.315   3.361  -1.006
   39    HA   CYS   6           HA       CYS   6  -1.293   4.493  -1.382
   40    HB2  CYS   6           2HB      CYS   6   1.348   5.997  -1.264
   41    HB3  CYS   6           1HB      CYS   6  -0.237   6.566  -0.752
   42    H    LYS   7           H        LYS   7   1.568   4.403  -3.482
   43    HA   LYS   7           HA       LYS   7   0.756   6.318  -5.436
   44    HB2  LYS   7           2HB      LYS   7   2.577   3.977  -5.222
   45    HB3  LYS   7           1HB      LYS   7   2.146   4.463  -6.858
   46    HG2  LYS   7           2HG      LYS   7   3.176   6.394  -4.767
   47    HG3  LYS   7           1HG      LYS   7   4.217   5.588  -5.940
   48    HD2  LYS   7           2HD      LYS   7   1.882   7.415  -6.596
   49    HD3  LYS   7           1HD      LYS   7   3.586   7.825  -6.755
   50    HE2  LYS   7           2HE      LYS   7   3.506   7.004  -8.867
   51    HE3  LYS   7           1HE      LYS   7   3.254   5.391  -8.174
   52    HZ1  LYS   7           3HZ      LYS   7   0.898   5.763  -8.105
   53    HZ2  LYS   7           1HZ      LYS   7   1.421   6.138  -9.677
   54    HZ3  LYS   7           2HZ      LYS   7   1.077   7.382  -8.575
   55    H    ASN   8           H        ASN   8  -0.505   3.169  -4.728
   56    HA   ASN   8           HA       ASN   8  -1.950   3.113  -7.354
   57    HB2  ASN   8           2HB      ASN   8  -0.498   1.178  -5.703
   58    HB3  ASN   8           1HB      ASN   8  -2.067   0.591  -6.226
   59   HD21  ASN   8          1HD2      ASN   8   1.132   0.989  -7.200
   60   HD22  ASN   8          2HD2      ASN   8   0.900   0.744  -8.850
   61    H    GLY   9           H        GLY   9  -2.407   3.432  -3.959
   62    HA2  GLY   9           2HA      GLY   9  -4.365   3.569  -2.676
   63    HA3  GLY   9           1HA      GLY   9  -5.238   3.758  -4.195
   64    H    LYS  10           H        LYS  10  -6.768   2.199  -4.421
   65    HA   LYS  10           HA       LYS  10  -6.946  -0.175  -2.889
   66    HB2  LYS  10           2HB      LYS  10  -8.621  -0.825  -4.623
   67    HB3  LYS  10           1HB      LYS  10  -8.825   0.833  -4.071
   68    HG2  LYS  10           2HG      LYS  10  -8.846   1.343  -6.275
   69    HG3  LYS  10           1HG      LYS  10  -7.095   1.170  -6.173
   70    HD2  LYS  10           2HD      LYS  10  -7.092  -0.809  -7.318
   71    HD3  LYS  10           1HD      LYS  10  -8.569  -1.369  -6.541
   72    HE2  LYS  10           2HE      LYS  10  -8.638  -0.834  -9.101
   73    HE3  LYS  10           1HE      LYS  10  -9.961  -0.231  -8.091
   74    HZ1  LYS  10           3HZ      LYS  10  -8.798   1.431  -9.623
   75    HZ2  LYS  10           1HZ      LYS  10  -7.506   1.371  -8.543
   76    HZ3  LYS  10           2HZ      LYS  10  -9.033   1.898  -8.012
   77    H    ARG  11           H        ARG  11  -5.110   0.448  -5.830
   78    HA   ARG  11           HA       ARG  11  -4.699  -2.352  -6.507
   79    HB2  ARG  11           2HB      ARG  11  -3.347   0.253  -7.258
   80    HB3  ARG  11           1HB      ARG  11  -2.827  -1.298  -7.902
   81    HG2  ARG  11           2HG      ARG  11  -5.295  -1.648  -8.564
   82    HG3  ARG  11           1HG      ARG  11  -5.480   0.081  -8.279
   83    HD2  ARG  11           2HD      ARG  11  -4.957  -0.082 -10.595
   84    HD3  ARG  11           1HD      ARG  11  -3.410   0.342  -9.836
   85    HE   ARG  11           HE       ARG  11  -3.437  -2.424  -9.723
   86   HH11  ARG  11          1HH2      ARG  11  -3.910  -0.074 -12.244
   87   HH12  ARG  11          2HH2      ARG  11  -3.238  -1.075 -13.480
   88   HH21  ARG  11          1HH1      ARG  11  -2.536  -3.727 -11.342
   89   HH22  ARG  11          2HH1      ARG  11  -2.465  -3.160 -12.966
   90    H    GLY  12           H        GLY  12  -3.390  -0.268  -4.126
   91    HA2  GLY  12           2HA      GLY  12  -0.905  -1.856  -3.869
   92    HA3  GLY  12           1HA      GLY  12  -1.267  -0.373  -2.994
   93    H    CYS  13           H        CYS  13  -3.890  -2.609  -3.026
   94    HA   CYS  13           HA       CYS  13  -3.517  -3.062  -0.136
   95    HB2  CYS  13           2HB      CYS  13  -5.640  -2.972  -2.075
   96    HB3  CYS  13           1HB      CYS  13  -5.766  -4.453  -1.132
   97    H    GLY  14           H        GLY  14  -2.079  -4.641   0.336
   98    HA2  GLY  14           2HA      GLY  14  -2.658  -7.394  -0.234
   99    HA3  GLY  14           1HA      GLY  14  -1.312  -6.846  -1.236
  100    H    ARG  15           H        ARG  15  -0.883  -8.823   0.712
  101    HA   ARG  15           HA       ARG  15  -0.135  -8.082   3.296
  102    HB2  ARG  15           2HB      ARG  15   1.597  -9.905   3.049
  103    HB3  ARG  15           1HB      ARG  15  -0.013 -10.374   2.514
  104    HG2  ARG  15           2HG      ARG  15   0.574 -10.228   0.235
  105    HG3  ARG  15           1HG      ARG  15   2.000  -9.253   0.573
  106    HD2  ARG  15           2HD      ARG  15   3.037 -11.282   0.280
  107    HD3  ARG  15           1HD      ARG  15   2.657 -11.436   2.005
  108    HE   ARG  15           HE       ARG  15   0.427 -12.474   1.157
  109   HH11  ARG  15          1HH2      ARG  15   3.490 -12.724  -0.503
  110   HH12  ARG  15          2HH2      ARG  15   3.052 -14.172  -1.337
  111   HH21  ARG  15          1HH1      ARG  15  -0.117 -14.377   0.101
  112   HH22  ARG  15          2HH1      ARG  15   1.007 -15.119  -0.986
  113    H    TRP  16           H        TRP  16   1.646  -7.538   0.288
  114    HA   TRP  16           HA       TRP  16   4.136  -6.622   1.249
  115    HB2  TRP  16           2HB      TRP  16   3.292  -7.021  -1.122
  116    HB3  TRP  16           1HB      TRP  16   2.511  -5.443  -1.027
  117    HD1  TRP  16           HD       TRP  16   5.935  -7.104  -1.051
  118    HE1  TRP  16           1HE      TRP  16   7.707  -5.367  -1.655
  119    HE3  TRP  16           3HE      TRP  16   3.063  -2.862  -0.967
  120    HZ2  TRP  16           2HZ      TRP  16   7.898  -2.527  -2.067
  121    HZ3  TRP  16           3HZ      TRP  16   4.085  -0.665  -1.482
  122    HH2  TRP  16           HH       TRP  16   6.488  -0.494  -2.033
  123    H    CYS  17           H        CYS  17   1.352  -4.535   0.334
  124    HA   CYS  17           HA       CYS  17   2.402  -2.192   1.633
  125    HB2  CYS  17           2HB      CYS  17   0.716  -2.089  -0.125
  126    HB3  CYS  17           1HB      CYS  17  -0.389  -3.047   0.842
  127    H    ARG  18           H        ARG  18  -0.001  -4.645   2.651
  128    HA   ARG  18           HA       ARG  18  -0.802  -3.675   5.153
  129    HB2  ARG  18           2HB      ARG  18  -0.538  -6.227   3.789
  130    HB3  ARG  18           1HB      ARG  18  -0.218  -6.418   5.510
  131    HG2  ARG  18           2HG      ARG  18  -2.350  -5.453   6.091
  132    HG3  ARG  18           1HG      ARG  18  -2.632  -4.953   4.424
  133    HD2  ARG  18           2HD      ARG  18  -3.926  -6.988   4.915
  134    HD3  ARG  18           1HD      ARG  18  -2.658  -7.360   3.734
  135    HE   ARG  18           HE       ARG  18  -1.388  -7.847   6.117
  136   HH11  ARG  18          1HH2      ARG  18  -4.466  -8.827   4.798
  137   HH12  ARG  18          2HH2      ARG  18  -4.483 -10.334   5.643
  138   HH21  ARG  18          1HH1      ARG  18  -1.444  -9.798   7.237
  139   HH22  ARG  18          2HH1      ARG  18  -2.777 -10.879   7.034
  140    H    ASP  19           H        ASP  19   2.259  -5.344   4.361
  141    HA   ASP  19           HA       ASP  19   3.249  -4.969   7.140
  142    HB2  ASP  19           2HB      ASP  19   3.525  -6.874   5.077
  143    HB3  ASP  19           1HB      ASP  19   5.111  -6.112   5.239
  144    H    HIS  20           H        HIS  20   4.059  -3.974   3.806
  145    HA   HIS  20           HA       HIS  20   6.384  -2.407   4.720
  146    HB2  HIS  20           2HB      HIS  20   5.043  -2.856   2.039
  147    HB3  HIS  20           1HB      HIS  20   6.581  -2.026   2.251
  148    HD1  HIS  20           1HD      HIS  20   4.988  -5.441   2.772
  149    HD2  HIS  20           2HD      HIS  20   8.772  -3.742   2.507
  150    HE1  HIS  20           1HE      HIS  20   6.637  -7.364   2.717
  151    H    SER  21           H        SER  21   2.989  -1.710   4.175
  152    HA   SER  21           HA       SER  21   3.612   1.171   4.534
  153    HB2  SER  21           2HB      SER  21   3.003  -0.155   2.029
  154    HB3  SER  21           1HB      SER  21   1.793   1.067   2.387
  155    HG   SER  21           HG       SER  21   4.476   1.740   2.819
  156    H    ARG  22           H        ARG  22   2.175   1.840   6.105
  157    HA   ARG  22           HA       ARG  22  -0.400   0.506   6.558
  158    HB2  ARG  22           2HB      ARG  22   1.306   2.577   7.765
  159    HB3  ARG  22           1HB      ARG  22  -0.403   2.995   7.837
  160    HG2  ARG  22           2HG      ARG  22  -0.391   1.714   9.715
  161    HG3  ARG  22           1HG      ARG  22  -0.501   0.373   8.575
  162    HD2  ARG  22           2HD      ARG  22   2.245   1.386   9.075
  163    HD3  ARG  22           1HD      ARG  22   1.471   0.562  10.444
  164    HE   ARG  22           HE       ARG  22   0.865  -1.179   8.488
  165   HH11  ARG  22          1HH2      ARG  22   3.829   0.594   9.016
  166   HH12  ARG  22          2HH2      ARG  22   4.833  -0.662   8.365
  167   HH21  ARG  22          1HH1      ARG  22   2.169  -2.796   7.645
  168   HH22  ARG  22          2HH1      ARG  22   3.896  -2.587   7.611
  169    H    CYS  23           H        CYS  23  -0.855   0.905   4.097
  170    HA   CYS  23           HA       CYS  23  -2.270   3.542   3.761
  171    HB2  CYS  23           2HB      CYS  23   0.125   2.959   2.686
  172    HB3  CYS  23           1HB      CYS  23  -0.892   2.184   1.483
  173    H    CYS  24           H        CYS  24  -3.019   0.500   4.232
  174    HA   CYS  24           HA       CYS  24  -5.318   0.501   2.397
  175    HB2  CYS  24           2HB      CYS  24  -2.897  -0.627   1.562
  176    HB3  CYS  24           1HB      CYS  24  -3.879  -2.003   2.071
  177    HN1  NH2  25           2H       CYS  24  -6.742  -1.318   5.074
  178    HN2  NH2  25           1H       CYS  24  -6.882  -0.039   3.968
  Start of MODEL   18
    1    H1   VAL   1           1HT      VAL   1  10.474   0.837   3.030
    2    H2   VAL   1           2HT      VAL   1   9.606   2.257   2.738
    3    H3   VAL   1           3HT      VAL   1  11.055   1.976   1.914
    4    HA   VAL   1           HA       VAL   1   9.701   1.298   0.256
    5    HB   VAL   1           HB       VAL   1   9.892  -0.973   2.260
    6   HG11  VAL   1          2HG1      VAL   1   8.055  -1.637   0.879
    7   HG12  VAL   1          3HG1      VAL   1   9.469  -2.468   0.230
    8   HG13  VAL   1          1HG1      VAL   1   8.842  -1.032  -0.581
    9   HG21  VAL   1          1HG2      VAL   1  11.575  -1.722   0.438
   10   HG22  VAL   1          2HG2      VAL   1  12.042  -0.377   1.476
   11   HG23  VAL   1          3HG2      VAL   1  11.453  -0.069  -0.158
   12    H    GLY   2           H        GLY   2   7.488   0.425  -0.399
   13    HA2  GLY   2           2HA      GLY   2   5.208  -0.185   0.354
   14    HA3  GLY   2           1HA      GLY   2   5.422   0.892   1.708
   15    H    GLU   3           H        GLU   3   6.730   2.832  -0.399
   16    HA   GLU   3           HA       GLU   3   4.682   4.672  -0.720
   17    HB2  GLU   3           2HB      GLU   3   5.989   5.397  -2.790
   18    HB3  GLU   3           1HB      GLU   3   6.933   5.218  -1.315
   19    HG2  GLU   3           2HG      GLU   3   7.473   2.852  -2.075
   20    HG3  GLU   3           1HG      GLU   3   6.751   3.272  -3.628
   21    H    ARG   4           H        ARG   4   5.362   1.970  -2.917
   22    HA   ARG   4           HA       ARG   4   3.552   2.593  -4.983
   23    HB2  ARG   4           2HB      ARG   4   4.436   0.668  -5.755
   24    HB3  ARG   4           1HB      ARG   4   5.291   0.522  -4.227
   25    HG2  ARG   4           2HG      ARG   4   4.080  -1.286  -3.676
   26    HG3  ARG   4           1HG      ARG   4   2.572  -0.418  -3.915
   27    HD2  ARG   4           2HD      ARG   4   3.088  -0.788  -6.479
   28    HD3  ARG   4           1HD      ARG   4   4.111  -2.096  -5.875
   29    HE   ARG   4           HE       ARG   4   1.163  -1.953  -5.618
   30   HH11  ARG   4          1HH2      ARG   4   4.169  -3.456  -4.670
   31   HH12  ARG   4          2HH2      ARG   4   3.425  -4.946  -4.217
   32   HH21  ARG   4          1HH1      ARG   4   0.187  -3.876  -4.974
   33   HH22  ARG   4          2HH1      ARG   4   1.157  -5.186  -4.375
   34    H    CYS   5           H        CYS   5   2.876   1.341  -1.758
   35    HA   CYS   5           HA       CYS   5   0.266   0.283  -2.304
   36    HB2  CYS   5           2HB      CYS   5   1.437  -0.264  -0.271
   37    HB3  CYS   5           1HB      CYS   5   1.580   1.439   0.171
   38    H    CYS   6           H        CYS   6   0.979   3.344  -0.558
   39    HA   CYS   6           HA       CYS   6  -1.601   4.474  -0.745
   40    HB2  CYS   6           2HB      CYS   6   0.923   5.152   0.219
   41    HB3  CYS   6           1HB      CYS   6   0.599   6.395  -0.985
   42    H    LYS   7           H        LYS   7   0.994   4.382  -3.149
   43    HA   LYS   7           HA       LYS   7  -0.181   6.348  -4.949
   44    HB2  LYS   7           2HB      LYS   7   2.154   4.573  -4.764
   45    HB3  LYS   7           1HB      LYS   7   1.549   4.742  -6.411
   46    HG2  LYS   7           2HG      LYS   7   1.780   7.234  -4.794
   47    HG3  LYS   7           1HG      LYS   7   3.282   6.490  -5.338
   48    HD2  LYS   7           2HD      LYS   7   0.945   7.144  -7.159
   49    HD3  LYS   7           1HD      LYS   7   2.360   8.173  -6.953
   50    HE2  LYS   7           2HE      LYS   7   2.599   5.264  -7.810
   51    HE3  LYS   7           1HE      LYS   7   2.449   6.596  -8.973
   52    HZ1  LYS   7           3HZ      LYS   7   4.359   7.670  -7.984
   53    HZ2  LYS   7           1HZ      LYS   7   4.784   6.091  -8.425
   54    HZ3  LYS   7           2HZ      LYS   7   4.484   6.462  -6.801
   55    H    ASN   8           H        ASN   8  -0.042   2.798  -4.869
   56    HA   ASN   8           HA       ASN   8  -1.579   2.477  -7.326
   57    HB2  ASN   8           2HB      ASN   8  -0.332   0.774  -5.233
   58    HB3  ASN   8           1HB      ASN   8  -1.579   0.053  -6.220
   59   HD21  ASN   8          1HD2      ASN   8   1.682   1.122  -6.196
   60   HD22  ASN   8          2HD2      ASN   8   2.029   0.721  -7.801
   61    H    GLY   9           H        GLY   9  -2.391   2.581  -3.915
   62    HA2  GLY   9           2HA      GLY   9  -4.490   2.515  -2.857
   63    HA3  GLY   9           1HA      GLY   9  -5.193   2.906  -4.424
   64    H    LYS  10           H        LYS  10  -6.207   1.304  -5.550
   65    HA   LYS  10           HA       LYS  10  -6.961  -1.164  -4.343
   66    HB2  LYS  10           2HB      LYS  10  -6.933  -0.004  -7.116
   67    HB3  LYS  10           1HB      LYS  10  -7.366  -1.703  -6.911
   68    HG2  LYS  10           2HG      LYS  10  -9.308  -1.213  -5.745
   69    HG3  LYS  10           1HG      LYS  10  -8.668   0.305  -5.116
   70    HD2  LYS  10           2HD      LYS  10  -9.795   1.379  -6.739
   71    HD3  LYS  10           1HD      LYS  10  -8.703   0.629  -7.903
   72    HE2  LYS  10           2HE      LYS  10 -11.232  -0.729  -6.885
   73    HE3  LYS  10           1HE      LYS  10 -11.153   0.191  -8.398
   74    HZ1  LYS  10           3HZ      LYS  10 -10.659  -2.045  -8.955
   75    HZ2  LYS  10           1HZ      LYS  10  -9.588  -2.219  -7.662
   76    HZ3  LYS  10           2HZ      LYS  10  -9.171  -1.224  -8.974
   77    H    ARG  11           H        ARG  11  -4.241  -0.312  -6.439
   78    HA   ARG  11           HA       ARG  11  -3.307  -3.116  -6.629
   79    HB2  ARG  11           2HB      ARG  11  -2.339  -0.427  -7.613
   80    HB3  ARG  11           1HB      ARG  11  -1.427  -1.913  -7.872
   81    HG2  ARG  11           2HG      ARG  11  -3.386  -2.895  -9.015
   82    HG3  ARG  11           1HG      ARG  11  -4.276  -1.392  -8.764
   83    HD2  ARG  11           2HD      ARG  11  -3.447  -0.864 -10.840
   84    HD3  ARG  11           1HD      ARG  11  -1.987  -0.441  -9.930
   85    HE   ARG  11           HE       ARG  11  -2.458  -3.010 -11.366
   86   HH11  ARG  11          1HH2      ARG  11  -0.344  -0.921  -9.515
   87   HH12  ARG  11          2HH2      ARG  11   1.074  -1.819  -9.922
   88   HH21  ARG  11          1HH1      ARG  11  -0.610  -4.147 -11.877
   89   HH22  ARG  11          2HH1      ARG  11   0.919  -3.660 -11.244
   90    H    GLY  12           H        GLY  12  -3.153  -0.752  -4.303
   91    HA2  GLY  12           2HA      GLY  12  -0.415  -1.468  -3.398
   92    HA3  GLY  12           1HA      GLY  12  -1.353  -0.088  -2.823
   93    H    CYS  13           H        CYS  13  -3.770  -1.201  -2.179
   94    HA   CYS  13           HA       CYS  13  -3.393  -2.324   0.391
   95    HB2  CYS  13           2HB      CYS  13  -5.579  -2.000  -1.595
   96    HB3  CYS  13           1HB      CYS  13  -5.852  -3.241  -0.372
   97    H    GLY  14           H        GLY  14  -2.675  -4.338   0.972
   98    HA2  GLY  14           2HA      GLY  14  -3.548  -6.807   0.196
   99    HA3  GLY  14           1HA      GLY  14  -2.364  -6.430  -1.056
  100    H    ARG  15           H        ARG  15  -1.663  -8.541   0.281
  101    HA   ARG  15           HA       ARG  15  -0.452  -8.515   2.779
  102    HB2  ARG  15           2HB      ARG  15   1.157 -10.192   1.669
  103    HB3  ARG  15           1HB      ARG  15  -0.563 -10.544   1.556
  104    HG2  ARG  15           2HG      ARG  15  -0.589 -10.268  -0.708
  105    HG3  ARG  15           1HG      ARG  15   0.500  -8.888  -0.651
  106    HD2  ARG  15           2HD      ARG  15   1.638 -10.742  -1.777
  107    HD3  ARG  15           1HD      ARG  15   2.406 -10.484  -0.201
  108    HE   ARG  15           HE       ARG  15   0.363 -12.607  -0.763
  109   HH11  ARG  15          1HH2      ARG  15   3.050 -11.364   1.094
  110   HH12  ARG  15          2HH2      ARG  15   3.195 -12.794   2.049
  111   HH21  ARG  15          1HH1      ARG  15   0.524 -14.431   0.515
  112   HH22  ARG  15          2HH1      ARG  15   1.750 -14.540   1.733
  113    H    TRP  16           H        TRP  16   1.041  -7.304  -0.252
  114    HA   TRP  16           HA       TRP  16   3.638  -6.760   0.849
  115    HB2  TRP  16           2HB      TRP  16   2.931  -6.871  -1.568
  116    HB3  TRP  16           1HB      TRP  16   2.160  -5.296  -1.358
  117    HD1  TRP  16           HD       TRP  16   5.578  -6.988  -1.374
  118    HE1  TRP  16           1HE      TRP  16   7.390  -5.224  -1.695
  119    HE3  TRP  16           3HE      TRP  16   2.744  -2.759  -1.025
  120    HZ2  TRP  16           2HZ      TRP  16   7.623  -2.367  -1.823
  121    HZ3  TRP  16           3HZ      TRP  16   3.791  -0.533  -1.252
  122    HH2  TRP  16           HH       TRP  16   6.225  -0.329  -1.650
  123    H    CYS  17           H        CYS  17   1.022  -4.424   0.078
  124    HA   CYS  17           HA       CYS  17   2.155  -2.214   1.458
  125    HB2  CYS  17           2HB      CYS  17   0.319  -1.990  -0.080
  126    HB3  CYS  17           1HB      CYS  17  -0.701  -3.022   0.904
  127    H    ARG  18           H        ARG  18  -0.045  -4.751   2.653
  128    HA   ARG  18           HA       ARG  18  -0.528  -3.699   5.245
  129    HB2  ARG  18           2HB      ARG  18  -1.165  -5.963   3.855
  130    HB3  ARG  18           1HB      ARG  18  -0.054  -6.614   5.061
  131    HG2  ARG  18           2HG      ARG  18  -1.359  -5.556   6.856
  132    HG3  ARG  18           1HG      ARG  18  -2.470  -4.879   5.665
  133    HD2  ARG  18           2HD      ARG  18  -1.980  -7.855   5.746
  134    HD3  ARG  18           1HD      ARG  18  -3.152  -7.106   6.845
  135    HE   ARG  18           HE       ARG  18  -3.433  -7.359   3.949
  136   HH11  ARG  18          1HH2      ARG  18  -4.281  -5.512   6.776
  137   HH12  ARG  18          2HH2      ARG  18  -5.757  -4.928   6.103
  138   HH21  ARG  18          1HH1      ARG  18  -5.361  -6.570   3.070
  139   HH22  ARG  18          2HH1      ARG  18  -6.370  -5.525   4.010
  140    H    ASP  19           H        ASP  19   2.218  -5.713   4.122
  141    HA   ASP  19           HA       ASP  19   3.486  -5.453   6.801
  142    HB2  ASP  19           2HB      ASP  19   3.246  -7.526   5.115
  143    HB3  ASP  19           1HB      ASP  19   4.778  -6.868   4.528
  144    H    HIS  20           H        HIS  20   3.808  -4.149   3.565
  145    HA   HIS  20           HA       HIS  20   6.485  -2.983   4.260
  146    HB2  HIS  20           2HB      HIS  20   5.027  -3.369   1.623
  147    HB3  HIS  20           1HB      HIS  20   6.651  -2.711   1.786
  148    HD1  HIS  20           1HD      HIS  20   4.697  -5.907   2.419
  149    HD2  HIS  20           2HD      HIS  20   8.652  -4.653   2.031
  150    HE1  HIS  20           1HE      HIS  20   6.109  -8.007   2.296
  151    H    SER  21           H        SER  21   3.187  -2.046   4.084
  152    HA   SER  21           HA       SER  21   4.030   0.793   3.599
  153    HB2  SER  21           2HB      SER  21   1.614  -0.737   2.621
  154    HB3  SER  21           1HB      SER  21   1.853   0.978   2.374
  155    HG   SER  21           HG       SER  21   3.800  -0.913   1.561
  156    H    ARG  22           H        ARG  22   2.411   2.371   4.404
  157    HA   ARG  22           HA       ARG  22   0.782   1.392   6.733
  158    HB2  ARG  22           2HB      ARG  22   2.482   3.914   6.519
  159    HB3  ARG  22           1HB      ARG  22   1.546   3.418   7.931
  160    HG2  ARG  22           2HG      ARG  22   3.195   1.208   7.181
  161    HG3  ARG  22           1HG      ARG  22   4.219   2.645   7.200
  162    HD2  ARG  22           2HD      ARG  22   4.066   1.467   9.445
  163    HD3  ARG  22           1HD      ARG  22   3.537   3.157   9.496
  164    HE   ARG  22           HE       ARG  22   1.315   2.423   9.826
  165   HH11  ARG  22          1HH2      ARG  22   3.335  -0.181   8.697
  166   HH12  ARG  22          2HH2      ARG  22   2.158  -1.399   9.023
  167   HH21  ARG  22          1HH1      ARG  22  -0.228   0.828  10.227
  168   HH22  ARG  22          2HH1      ARG  22   0.134  -0.828   9.893
  169    H    CYS  23           H        CYS  23  -0.327   1.684   4.222
  170    HA   CYS  23           HA       CYS  23  -2.129   4.012   4.567
  171    HB2  CYS  23           2HB      CYS  23  -0.275   4.927   3.306
  172    HB3  CYS  23           1HB      CYS  23  -0.239   3.525   2.238
  173    H    CYS  24           H        CYS  24  -3.134   1.610   4.980
  174    HA   CYS  24           HA       CYS  24  -5.062   1.143   2.908
  175    HB2  CYS  24           2HB      CYS  24  -2.445  -0.049   2.593
  176    HB3  CYS  24           1HB      CYS  24  -3.663  -1.312   2.747
  177    HN1  NH2  25           2H       CYS  24  -5.646  -0.189   6.416
  178    HN2  NH2  25           1H       CYS  24  -5.128   1.310   5.812
  Start of MODEL   19
    1    H1   VAL   1           1HT      VAL   1   8.935   3.223   2.760
    2    H2   VAL   1           2HT      VAL   1  10.528   2.752   2.418
    3    H3   VAL   1           3HT      VAL   1   9.669   2.013   3.682
    4    HA   VAL   1           HA       VAL   1   9.429   1.601   0.777
    5    HB   VAL   1           HB       VAL   1  10.700   0.179   2.518
    6   HG11  VAL   1          2HG1      VAL   1   9.113  -1.502   3.653
    7   HG12  VAL   1          3HG1      VAL   1   7.835  -0.325   3.350
    8   HG13  VAL   1          1HG1      VAL   1   9.212   0.112   4.367
    9   HG21  VAL   1          1HG2      VAL   1   8.748  -1.695   1.378
   10   HG22  VAL   1          2HG2      VAL   1  10.473  -1.526   1.050
   11   HG23  VAL   1          3HG2      VAL   1   9.316  -0.496   0.211
   12    H    GLY   2           H        GLY   2   7.457   0.524   0.021
   13    HA2  GLY   2           2HA      GLY   2   5.160  -0.198   0.430
   14    HA3  GLY   2           1HA      GLY   2   5.060   0.969   1.722
   15    H    GLU   3           H        GLU   3   6.639   2.488  -0.817
   16    HA   GLU   3           HA       GLU   3   4.629   4.375  -1.342
   17    HB2  GLU   3           2HB      GLU   3   5.986   4.884  -3.355
   18    HB3  GLU   3           1HB      GLU   3   7.013   4.587  -1.955
   19    HG2  GLU   3           2HG      GLU   3   7.181   2.163  -2.748
   20    HG3  GLU   3           1HG      GLU   3   6.434   2.697  -4.252
   21    H    ARG   4           H        ARG   4   5.261   1.310  -3.000
   22    HA   ARG   4           HA       ARG   4   3.490   1.497  -5.168
   23    HB2  ARG   4           2HB      ARG   4   4.367  -0.563  -5.433
   24    HB3  ARG   4           1HB      ARG   4   5.052  -0.458  -3.817
   25    HG2  ARG   4           2HG      ARG   4   3.764  -2.386  -3.662
   26    HG3  ARG   4           1HG      ARG   4   2.638  -1.179  -3.046
   27    HD2  ARG   4           2HD      ARG   4   1.772  -0.949  -5.452
   28    HD3  ARG   4           1HD      ARG   4   2.703  -2.415  -5.820
   29    HE   ARG   4           HE       ARG   4   0.995  -2.649  -3.437
   30   HH11  ARG   4          1HH2      ARG   4   1.198  -3.006  -6.909
   31   HH12  ARG   4          2HH2      ARG   4  -0.043  -4.203  -6.971
   32   HH21  ARG   4          1HH1      ARG   4  -0.632  -4.205  -3.552
   33   HH22  ARG   4          2HH1      ARG   4  -1.084  -4.875  -5.083
   34    H    CYS   5           H        CYS   5   2.751   0.873  -1.763
   35    HA   CYS   5           HA       CYS   5   0.020   0.055  -2.258
   36    HB2  CYS   5           2HB      CYS   5   1.447  -0.399  -0.209
   37    HB3  CYS   5           1HB      CYS   5   1.163   1.280   0.258
   38    H    CYS   6           H        CYS   6   1.443   3.161  -1.104
   39    HA   CYS   6           HA       CYS   6  -1.086   4.573  -1.189
   40    HB2  CYS   6           2HB      CYS   6   1.607   5.009  -0.379
   41    HB3  CYS   6           1HB      CYS   6   1.203   6.294  -1.512
   42    H    LYS   7           H        LYS   7   1.581   4.122  -3.506
   43    HA   LYS   7           HA       LYS   7   0.862   6.028  -5.481
   44    HB2  LYS   7           2HB      LYS   7   2.182   3.314  -5.502
   45    HB3  LYS   7           1HB      LYS   7   1.936   4.200  -7.006
   46    HG2  LYS   7           2HG      LYS   7   2.989   6.158  -5.421
   47    HG3  LYS   7           1HG      LYS   7   3.821   4.737  -4.795
   48    HD2  LYS   7           2HD      LYS   7   3.647   5.358  -7.755
   49    HD3  LYS   7           1HD      LYS   7   4.977   5.917  -6.740
   50    HE2  LYS   7           2HE      LYS   7   4.555   3.113  -6.228
   51    HE3  LYS   7           1HE      LYS   7   4.705   3.367  -7.975
   52    HZ1  LYS   7           3HZ      LYS   7   6.897   3.189  -7.110
   53    HZ2  LYS   7           1HZ      LYS   7   6.585   4.281  -5.856
   54    HZ3  LYS   7           2HZ      LYS   7   6.655   4.828  -7.465
   55    H    ASN   8           H        ASN   8  -0.218   2.684  -5.048
   56    HA   ASN   8           HA       ASN   8  -2.139   2.944  -7.296
   57    HB2  ASN   8           2HB      ASN   8  -0.763   0.829  -5.768
   58    HB3  ASN   8           1HB      ASN   8  -2.405   0.440  -6.244
   59   HD21  ASN   8          1HD2      ASN   8   0.788   0.560  -7.350
   60   HD22  ASN   8          2HD2      ASN   8   0.456   0.359  -8.999
   61    H    GLY   9           H        GLY   9  -2.109   2.993  -3.820
   62    HA2  GLY   9           2HA      GLY   9  -3.840   3.331  -2.283
   63    HA3  GLY   9           1HA      GLY   9  -4.865   3.770  -3.649
   64    H    LYS  10           H        LYS  10  -6.516   2.365  -4.091
   65    HA   LYS  10           HA       LYS  10  -6.984  -0.012  -2.581
   66    HB2  LYS  10           2HB      LYS  10  -8.059   1.301  -5.043
   67    HB3  LYS  10           1HB      LYS  10  -8.518  -0.379  -4.757
   68    HG2  LYS  10           2HG      LYS  10 -10.139   0.508  -3.452
   69    HG3  LYS  10           1HG      LYS  10  -8.849   0.695  -2.267
   70    HD2  LYS  10           2HD      LYS  10  -8.396   2.969  -3.464
   71    HD3  LYS  10           1HD      LYS  10 -10.020   2.767  -4.116
   72    HE2  LYS  10           2HE      LYS  10 -10.274   4.037  -2.094
   73    HE3  LYS  10           1HE      LYS  10 -10.789   2.387  -1.692
   74    HZ1  LYS  10           3HZ      LYS  10  -7.939   2.870  -1.455
   75    HZ2  LYS  10           1HZ      LYS  10  -8.992   2.056  -0.399
   76    HZ3  LYS  10           2HZ      LYS  10  -8.892   3.745  -0.363
   77    H    ARG  11           H        ARG  11  -5.234   0.539  -5.577
   78    HA   ARG  11           HA       ARG  11  -4.955  -2.331  -6.189
   79    HB2  ARG  11           2HB      ARG  11  -3.769   0.225  -7.313
   80    HB3  ARG  11           1HB      ARG  11  -3.384  -1.374  -7.940
   81    HG2  ARG  11           2HG      ARG  11  -5.958  -1.676  -8.140
   82    HG3  ARG  11           1HG      ARG  11  -6.014   0.084  -8.016
   83    HD2  ARG  11           2HD      ARG  11  -5.888  -0.559 -10.384
   84    HD3  ARG  11           1HD      ARG  11  -4.369   0.220  -9.902
   85    HE   ARG  11           HE       ARG  11  -4.673  -2.765  -9.856
   86   HH11  ARG  11          1HH2      ARG  11  -2.891   0.128 -10.698
   87   HH12  ARG  11          2HH2      ARG  11  -1.539  -0.750 -11.300
   88   HH21  ARG  11          1HH1      ARG  11  -2.876  -3.878 -10.636
   89   HH22  ARG  11          2HH1      ARG  11  -1.515  -3.002 -11.257
   90    H    GLY  12           H        GLY  12  -3.410  -0.031  -4.212
   91    HA2  GLY  12           2HA      GLY  12  -0.745  -1.204  -4.306
   92    HA3  GLY  12           1HA      GLY  12  -1.296   0.047  -3.195
   93    H    CYS  13           H        CYS  13  -3.652  -1.687  -2.408
   94    HA   CYS  13           HA       CYS  13  -2.664  -2.822  -0.038
   95    HB2  CYS  13           2HB      CYS  13  -5.095  -2.966  -1.714
   96    HB3  CYS  13           1HB      CYS  13  -4.881  -4.339  -0.628
   97    H    GLY  14           H        GLY  14  -2.443  -5.125   0.564
   98    HA2  GLY  14           2HA      GLY  14  -2.400  -7.446  -0.759
   99    HA3  GLY  14           1HA      GLY  14  -1.018  -6.658  -1.531
  100    H    ARG  15           H        ARG  15  -0.734  -9.015   0.074
  101    HA   ARG  15           HA       ARG  15  -0.122  -8.749   2.778
  102    HB2  ARG  15           2HB      ARG  15   0.002 -10.849   1.563
  103    HB3  ARG  15           1HB      ARG  15   1.288 -10.228   0.529
  104    HG2  ARG  15           2HG      ARG  15   2.329 -11.626   2.177
  105    HG3  ARG  15           1HG      ARG  15   2.700  -9.959   2.611
  106    HD2  ARG  15           2HD      ARG  15   2.020 -11.039   4.657
  107    HD3  ARG  15           1HD      ARG  15   0.634 -10.064   4.144
  108    HE   ARG  15           HE       ARG  15  -0.528 -12.061   3.533
  109   HH11  ARG  15          1HH2      ARG  15   2.822 -12.670   4.255
  110   HH12  ARG  15          2HH2      ARG  15   2.618 -14.380   4.349
  111   HH21  ARG  15          1HH1      ARG  15  -0.797 -14.297   3.681
  112   HH22  ARG  15          2HH1      ARG  15   0.574 -15.308   4.019
  113    H    TRP  16           H        TRP  16   1.952  -7.813   0.013
  114    HA   TRP  16           HA       TRP  16   4.256  -7.038   1.527
  115    HB2  TRP  16           2HB      TRP  16   4.079  -7.340  -0.955
  116    HB3  TRP  16           1HB      TRP  16   3.145  -5.842  -1.025
  117    HD1  TRP  16           HD       TRP  16   6.633  -7.150  -0.140
  118    HE1  TRP  16           1HE      TRP  16   8.301  -5.230  -0.306
  119    HE3  TRP  16           3HE      TRP  16   3.432  -3.262  -0.991
  120    HZ2  TRP  16           2HZ      TRP  16   8.310  -2.414  -0.756
  121    HZ3  TRP  16           3HZ      TRP  16   4.315  -0.981  -1.292
  122    HH2  TRP  16           HH       TRP  16   6.742  -0.554  -1.184
  123    H    CYS  17           H        CYS  17   1.745  -4.879   0.101
  124    HA   CYS  17           HA       CYS  17   2.478  -2.531   1.512
  125    HB2  CYS  17           2HB      CYS  17   0.929  -2.253  -0.236
  126    HB3  CYS  17           1HB      CYS  17  -0.060  -3.601   0.299
  127    H    ARG  18           H        ARG  18   0.102  -5.036   2.345
  128    HA   ARG  18           HA       ARG  18  -0.974  -4.136   4.730
  129    HB2  ARG  18           2HB      ARG  18  -0.031  -6.788   3.692
  130    HB3  ARG  18           1HB      ARG  18  -0.595  -6.705   5.355
  131    HG2  ARG  18           2HG      ARG  18  -2.749  -5.839   4.643
  132    HG3  ARG  18           1HG      ARG  18  -2.183  -5.695   2.977
  133    HD2  ARG  18           2HD      ARG  18  -3.604  -7.779   3.520
  134    HD3  ARG  18           1HD      ARG  18  -2.055  -8.085   2.719
  135    HE   ARG  18           HE       ARG  18  -1.156  -8.892   4.795
  136   HH11  ARG  18          1HH2      ARG  18  -4.383  -7.602   5.121
  137   HH12  ARG  18          2HH2      ARG  18  -4.627  -8.280   6.691
  138   HH21  ARG  18          1HH1      ARG  18  -1.489  -9.774   6.858
  139   HH22  ARG  18          2HH1      ARG  18  -2.996  -9.523   7.668
  140    H    ASP  19           H        ASP  19   2.227  -5.732   4.378
  141    HA   ASP  19           HA       ASP  19   2.890  -5.109   7.218
  142    HB2  ASP  19           2HB      ASP  19   3.264  -7.295   5.705
  143    HB3  ASP  19           1HB      ASP  19   4.758  -6.452   5.311
  144    H    HIS  20           H        HIS  20   3.900  -4.245   3.935
  145    HA   HIS  20           HA       HIS  20   6.177  -2.608   4.935
  146    HB2  HIS  20           2HB      HIS  20   5.204  -3.383   2.163
  147    HB3  HIS  20           1HB      HIS  20   6.716  -2.550   2.502
  148    HD1  HIS  20           1HD      HIS  20   4.972  -5.853   3.306
  149    HD2  HIS  20           2HD      HIS  20   8.813  -4.258   3.099
  150    HE1  HIS  20           1HE      HIS  20   6.572  -7.789   3.639
  151    H    SER  21           H        SER  21   2.884  -1.987   4.180
  152    HA   SER  21           HA       SER  21   3.588   0.853   3.520
  153    HB2  SER  21           2HB      SER  21   1.450  -0.939   2.358
  154    HB3  SER  21           1HB      SER  21   1.665   0.749   1.953
  155    HG   SER  21           HG       SER  21   3.824  -1.047   1.694
  156    H    ARG  22           H        ARG  22   2.534   2.321   4.820
  157    HA   ARG  22           HA       ARG  22   0.254   1.367   6.514
  158    HB2  ARG  22           2HB      ARG  22   1.930   3.910   6.577
  159    HB3  ARG  22           1HB      ARG  22   0.768   3.420   7.806
  160    HG2  ARG  22           2HG      ARG  22   3.292   1.902   7.057
  161    HG3  ARG  22           1HG      ARG  22   3.074   2.879   8.510
  162    HD2  ARG  22           2HD      ARG  22   1.386   0.447   7.799
  163    HD3  ARG  22           1HD      ARG  22   2.703   0.455   8.987
  164    HE   ARG  22           HE       ARG  22   0.079   1.794   9.285
  165   HH11  ARG  22          1HH2      ARG  22   3.358   1.413  10.404
  166   HH12  ARG  22          2HH2      ARG  22   3.013   1.989  11.995
  167   HH21  ARG  22          1HH1      ARG  22  -0.369   2.516  11.394
  168   HH22  ARG  22          2HH1      ARG  22   0.914   2.628  12.551
  169    H    CYS  23           H        CYS  23  -0.214   1.699   3.748
  170    HA   CYS  23           HA       CYS  23  -2.031   4.078   3.705
  171    HB2  CYS  23           2HB      CYS  23   0.203   4.348   2.493
  172    HB3  CYS  23           1HB      CYS  23  -0.313   3.058   1.415
  173    H    CYS  24           H        CYS  24  -2.982   1.572   4.404
  174    HA   CYS  24           HA       CYS  24  -4.857   0.969   2.251
  175    HB2  CYS  24           2HB      CYS  24  -2.314  -0.312   2.305
  176    HB3  CYS  24           1HB      CYS  24  -3.509  -1.522   2.769
  177    HN1  NH2  25           2H       CYS  24  -6.753  -0.587   4.802
  178    HN2  NH2  25           1H       CYS  24  -6.707  -0.010   3.210
  Start of MODEL   20
    1    H1   VAL   1           1HT      VAL   1   8.929   1.437   3.546
    2    H2   VAL   1           2HT      VAL   1   9.210   2.652   2.401
    3    H3   VAL   1           3HT      VAL   1  10.512   1.805   3.071
    4    HA   VAL   1           HA       VAL   1   9.893   1.114   0.756
    5    HB   VAL   1           HB       VAL   1  11.270  -0.257   2.227
    6   HG11  VAL   1          2HG1      VAL   1  10.289  -0.484   4.305
    7   HG12  VAL   1          3HG1      VAL   1   9.783  -2.030   3.615
    8   HG13  VAL   1          1HG1      VAL   1   8.668  -0.662   3.626
    9   HG21  VAL   1          1HG2      VAL   1   9.894  -1.266   0.162
   10   HG22  VAL   1          2HG2      VAL   1   9.207  -2.276   1.437
   11   HG23  VAL   1          3HG2      VAL   1  10.948  -2.272   1.151
   12    H    GLY   2           H        GLY   2   7.639   2.127   0.472
   13    HA2  GLY   2           2HA      GLY   2   5.690   0.000   0.102
   14    HA3  GLY   2           1HA      GLY   2   5.235   1.108   1.380
   15    H    GLU   3           H        GLU   3   6.942   1.925  -1.612
   16    HA   GLU   3           HA       GLU   3   5.281   4.196  -2.155
   17    HB2  GLU   3           2HB      GLU   3   6.529   4.164  -4.344
   18    HB3  GLU   3           1HB      GLU   3   7.574   4.070  -2.926
   19    HG2  GLU   3           2HG      GLU   3   7.177   1.431  -3.349
   20    HG3  GLU   3           1HG      GLU   3   6.996   2.014  -5.002
   21    H    ARG   4           H        ARG   4   5.307   0.929  -3.582
   22    HA   ARG   4           HA       ARG   4   3.316   1.455  -5.563
   23    HB2  ARG   4           2HB      ARG   4   3.564  -0.793  -6.038
   24    HB3  ARG   4           1HB      ARG   4   5.053  -0.490  -5.162
   25    HG2  ARG   4           2HG      ARG   4   4.403  -2.268  -3.914
   26    HG3  ARG   4           1HG      ARG   4   3.366  -1.097  -3.108
   27    HD2  ARG   4           2HD      ARG   4   1.874  -2.855  -3.710
   28    HD3  ARG   4           1HD      ARG   4   1.643  -1.652  -4.990
   29    HE   ARG   4           HE       ARG   4   3.790  -3.556  -5.575
   30   HH11  ARG   4          1HH2      ARG   4   0.355  -2.958  -5.708
   31   HH12  ARG   4          2HH2      ARG   4   0.117  -3.959  -7.092
   32   HH21  ARG   4          1HH1      ARG   4   3.453  -4.883  -7.392
   33   HH22  ARG   4          2HH1      ARG   4   1.857  -5.048  -8.047
   34    H    CYS   5           H        CYS   5   2.888   1.334  -2.169
   35    HA   CYS   5           HA       CYS   5   0.233   0.077  -2.336
   36    HB2  CYS   5           2HB      CYS   5   1.622  -0.404  -0.415
   37    HB3  CYS   5           1HB      CYS   5   1.802   1.313  -0.061
   38    H    CYS   6           H        CYS   6   0.959   3.068  -0.527
   39    HA   CYS   6           HA       CYS   6  -1.585   4.218  -0.822
   40    HB2  CYS   6           2HB      CYS   6   0.959   4.884   0.233
   41    HB3  CYS   6           1HB      CYS   6   0.470   6.249  -0.773
   42    H    LYS   7           H        LYS   7   1.244   4.597  -2.981
   43    HA   LYS   7           HA       LYS   7   0.192   6.624  -4.690
   44    HB2  LYS   7           2HB      LYS   7   2.165   4.372  -4.954
   45    HB3  LYS   7           1HB      LYS   7   1.761   5.351  -6.361
   46    HG2  LYS   7           2HG      LYS   7   2.436   6.799  -3.829
   47    HG3  LYS   7           1HG      LYS   7   3.759   6.036  -4.714
   48    HD2  LYS   7           2HD      LYS   7   1.742   7.902  -6.007
   49    HD3  LYS   7           1HD      LYS   7   3.307   8.435  -5.388
   50    HE2  LYS   7           2HE      LYS   7   3.215   6.104  -7.307
   51    HE3  LYS   7           1HE      LYS   7   3.111   7.763  -7.936
   52    HZ1  LYS   7           3HZ      LYS   7   5.426   6.913  -7.669
   53    HZ2  LYS   7           1HZ      LYS   7   5.176   6.861  -5.995
   54    HZ3  LYS   7           2HZ      LYS   7   5.112   8.344  -6.817
   55    H    ASN   8           H        ASN   8  -0.440   3.181  -4.558
   56    HA   ASN   8           HA       ASN   8  -1.960   3.308  -7.115
   57    HB2  ASN   8           2HB      ASN   8  -0.457   1.317  -5.540
   58    HB3  ASN   8           1HB      ASN   8  -1.897   0.695  -6.323
   59   HD21  ASN   8          1HD2      ASN   8   1.354   1.325  -6.843
   60   HD22  ASN   8          2HD2      ASN   8   1.331   1.333  -8.534
   61    H    GLY   9           H        GLY   9  -2.450   3.012  -3.669
   62    HA2  GLY   9           2HA      GLY   9  -4.439   2.883  -2.420
   63    HA3  GLY   9           1HA      GLY   9  -5.287   3.368  -3.885
   64    H    LYS  10           H        LYS  10  -6.583   1.845  -4.818
   65    HA   LYS  10           HA       LYS  10  -7.046  -0.722  -3.680
   66    HB2  LYS  10           2HB      LYS  10  -7.656   0.649  -6.293
   67    HB3  LYS  10           1HB      LYS  10  -8.043  -1.063  -6.117
   68    HG2  LYS  10           2HG      LYS  10  -8.979   0.022  -3.749
   69    HG3  LYS  10           1HG      LYS  10  -9.356   1.280  -4.928
   70    HD2  LYS  10           2HD      LYS  10 -10.582  -0.295  -6.303
   71    HD3  LYS  10           1HD      LYS  10 -10.050  -1.650  -5.313
   72    HE2  LYS  10           2HE      LYS  10 -12.267  -1.196  -4.560
   73    HE3  LYS  10           1HE      LYS  10 -11.222  -0.424  -3.352
   74    HZ1  LYS  10           3HZ      LYS  10 -11.361   1.561  -5.034
   75    HZ2  LYS  10           1HZ      LYS  10 -12.579   1.316  -3.894
   76    HZ3  LYS  10           2HZ      LYS  10 -12.813   0.804  -5.495
   77    H    ARG  11           H        ARG  11  -4.796   0.338  -6.169
   78    HA   ARG  11           HA       ARG  11  -4.013  -2.388  -6.939
   79    HB2  ARG  11           2HB      ARG  11  -2.996   0.407  -7.546
   80    HB3  ARG  11           1HB      ARG  11  -2.289  -1.044  -8.253
   81    HG2  ARG  11           2HG      ARG  11  -5.247  -0.715  -8.448
   82    HG3  ARG  11           1HG      ARG  11  -4.234   0.300  -9.475
   83    HD2  ARG  11           2HD      ARG  11  -4.269  -1.511 -10.881
   84    HD3  ARG  11           1HD      ARG  11  -3.028  -2.139  -9.781
   85    HE   ARG  11           HE       ARG  11  -5.899  -2.615  -9.118
   86   HH11  ARG  11          1HH2      ARG  11  -2.771  -3.820 -10.075
   87   HH12  ARG  11          2HH2      ARG  11  -3.151  -5.460  -9.694
   88   HH21  ARG  11          1HH1      ARG  11  -6.398  -4.769  -8.626
   89   HH22  ARG  11          2HH1      ARG  11  -5.215  -6.007  -8.885
   90    H    GLY  12           H        GLY  12  -3.194  -0.156  -4.492
   91    HA2  GLY  12           2HA      GLY  12  -0.490  -1.244  -4.065
   92    HA3  GLY  12           1HA      GLY  12  -1.231   0.082  -3.167
   93    H    CYS  13           H        CYS  13  -3.685  -1.242  -2.511
   94    HA   CYS  13           HA       CYS  13  -3.146  -2.426  -0.051
   95    HB2  CYS  13           2HB      CYS  13  -5.359  -2.078  -1.839
   96    HB3  CYS  13           1HB      CYS  13  -5.426  -3.709  -1.178
   97    H    GLY  14           H        GLY  14  -2.316  -4.383   0.573
   98    HA2  GLY  14           2HA      GLY  14  -2.756  -6.914  -0.480
   99    HA3  GLY  14           1HA      GLY  14  -1.380  -6.303  -1.396
  100    H    ARG  15           H        ARG  15  -1.299  -8.515   0.513
  101    HA   ARG  15           HA       ARG  15  -0.507  -8.029   3.113
  102    HB2  ARG  15           2HB      ARG  15   1.133  -9.971   2.711
  103    HB3  ARG  15           1HB      ARG  15  -0.568 -10.262   2.362
  104    HG2  ARG  15           2HG      ARG  15  -0.208 -10.052  -0.005
  105    HG3  ARG  15           1HG      ARG  15   1.412  -9.399   0.241
  106    HD2  ARG  15           2HD      ARG  15   0.655 -12.181   1.186
  107    HD3  ARG  15           1HD      ARG  15   1.321 -11.868  -0.426
  108    HE   ARG  15           HE       ARG  15   3.362 -11.046   0.591
  109   HH11  ARG  15          1HH2      ARG  15   1.017 -12.198   2.905
  110   HH12  ARG  15          2HH2      ARG  15   2.172 -12.336   4.179
  111   HH21  ARG  15          1HH1      ARG  15   4.849 -11.265   2.273
  112   HH22  ARG  15          2HH1      ARG  15   4.326 -11.822   3.823
  113    H    TRP  16           H        TRP  16   1.607  -7.570   0.239
  114    HA   TRP  16           HA       TRP  16   4.009  -6.878   1.645
  115    HB2  TRP  16           2HB      TRP  16   3.742  -7.262  -0.831
  116    HB3  TRP  16           1HB      TRP  16   2.933  -5.691  -0.937
  117    HD1  TRP  16           HD       TRP  16   6.309  -7.263  -0.051
  118    HE1  TRP  16           1HE      TRP  16   8.138  -5.489  -0.247
  119    HE3  TRP  16           3HE      TRP  16   3.432  -3.145  -0.989
  120    HZ2  TRP  16           2HZ      TRP  16   8.363  -2.665  -0.738
  121    HZ3  TRP  16           3HZ      TRP  16   4.498  -0.936  -1.311
  122    HH2  TRP  16           HH       TRP  16   6.953  -0.698  -1.197
  123    H    CYS  17           H        CYS  17   1.600  -4.635   0.200
  124    HA   CYS  17           HA       CYS  17   2.529  -2.288   1.525
  125    HB2  CYS  17           2HB      CYS  17   1.007  -1.932  -0.230
  126    HB3  CYS  17           1HB      CYS  17  -0.070  -3.201   0.316
  127    H    ARG  18           H        ARG  18  -0.017  -4.621   2.425
  128    HA   ARG  18           HA       ARG  18  -1.013  -3.525   4.777
  129    HB2  ARG  18           2HB      ARG  18  -0.241  -6.353   4.025
  130    HB3  ARG  18           1HB      ARG  18  -1.066  -5.991   5.537
  131    HG2  ARG  18           2HG      ARG  18  -2.759  -4.697   4.010
  132    HG3  ARG  18           1HG      ARG  18  -2.075  -5.692   2.723
  133    HD2  ARG  18           2HD      ARG  18  -3.897  -6.985   3.538
  134    HD3  ARG  18           1HD      ARG  18  -2.488  -7.694   4.340
  135    HE   ARG  18           HE       ARG  18  -3.009  -6.347   6.335
  136   HH11  ARG  18          1HH2      ARG  18  -5.467  -6.486   3.844
  137   HH12  ARG  18          2HH2      ARG  18  -6.724  -5.943   4.888
  138   HH21  ARG  18          1HH1      ARG  18  -4.678  -5.614   7.676
  139   HH22  ARG  18          2HH1      ARG  18  -6.286  -5.467   7.057
  140    H    ASP  19           H        ASP  19   2.026  -5.405   4.495
  141    HA   ASP  19           HA       ASP  19   2.731  -4.750   7.307
  142    HB2  ASP  19           2HB      ASP  19   3.020  -6.945   5.604
  143    HB3  ASP  19           1HB      ASP  19   4.654  -6.283   5.731
  144    H    HIS  20           H        HIS  20   3.824  -4.034   4.004
  145    HA   HIS  20           HA       HIS  20   6.228  -2.593   5.007
  146    HB2  HIS  20           2HB      HIS  20   5.165  -3.241   2.235
  147    HB3  HIS  20           1HB      HIS  20   6.734  -2.524   2.562
  148    HD1  HIS  20           1HD      HIS  20   4.792  -5.732   3.186
  149    HD2  HIS  20           2HD      HIS  20   8.724  -4.363   3.231
  150    HE1  HIS  20           1HE      HIS  20   6.265  -7.777   3.472
  151    H    SER  21           H        SER  21   2.995  -1.835   4.022
  152    HA   SER  21           HA       SER  21   3.768   1.041   3.633
  153    HB2  SER  21           2HB      SER  21   1.730  -0.708   2.243
  154    HB3  SER  21           1HB      SER  21   1.901   1.010   1.958
  155    HG   SER  21           HG       SER  21   4.082  -0.783   1.688
  156    H    ARG  22           H        ARG  22   2.835   2.234   5.287
  157    HA   ARG  22           HA       ARG  22   0.519   1.251   6.794
  158    HB2  ARG  22           2HB      ARG  22   2.206   3.765   6.743
  159    HB3  ARG  22           1HB      ARG  22   0.757   3.670   7.742
  160    HG2  ARG  22           2HG      ARG  22   2.968   1.603   7.870
  161    HG3  ARG  22           1HG      ARG  22   2.931   3.027   8.911
  162    HD2  ARG  22           2HD      ARG  22   0.722   0.942   8.724
  163    HD3  ARG  22           1HD      ARG  22   1.890   1.084  10.051
  164    HE   ARG  22           HE       ARG  22   0.920   3.595  10.042
  165   HH11  ARG  22          1HH2      ARG  22  -0.717   0.538   9.734
  166   HH12  ARG  22          2HH2      ARG  22  -2.198   1.128  10.382
  167   HH21  ARG  22          1HH1      ARG  22  -1.029   4.343  10.907
  168   HH22  ARG  22          2HH1      ARG  22  -2.381   3.279  11.043
  169    H    CYS  23           H        CYS  23  -0.506   1.132   4.409
  170    HA   CYS  23           HA       CYS  23  -2.347   3.456   4.206
  171    HB2  CYS  23           2HB      CYS  23  -0.245   3.832   2.842
  172    HB3  CYS  23           1HB      CYS  23  -0.694   2.430   1.876
  173    H    CYS  24           H        CYS  24  -2.459   0.423   4.805
  174    HA   CYS  24           HA       CYS  24  -4.921  -0.147   3.366
  175    HB2  CYS  24           2HB      CYS  24  -3.375  -0.550   1.522
  176    HB3  CYS  24           1HB      CYS  24  -2.348  -1.540   2.545
  177    HN1  NH2  25           2H       CYS  24  -5.267  -2.365   6.113
  178    HN2  NH2  25           1H       CYS  24  -5.985  -1.212   5.094