*HEADER    DE NOVO PROTEIN                         15-NOV-16   5TX8              
*TITLE     SOLUTION STRUCTURE OF THE DE NOVO MINI PROTEIN GHH_44                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HH2;                                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   3 ORGANISM_TAXID: 32630;                                               
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    DE NOVO PROTEIN                                                       
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    G.W.BUCHKO,C.D.BAHL,D.BAKER                                           
*REVDAT   1   27-SEP-17 5TX8    0                                                
# Restraints file 1: HH2_aco.tbl
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -57.0   25.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -47.0   30.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -57.0   25.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -47.0   30.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -57.0   25.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -47.0   30.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -57.0   25.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -47.0   30.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -57.0   25.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -47.0   30.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -57.0   25.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -47.0   30.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -57.0   25.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -47.0   30.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -57.0   25.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -47.0   30.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -57.0   25.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -47.0   30.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -57.0   25.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -47.0   30.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -57.0   25.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -47.0   30.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -57.0   25.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -47.0   30.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -57.0   25.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -47.0   30.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -57.0   25.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -47.0   30.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -57.0   25.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -47.0   30.0 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0  -57.0   25.0 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  -47.0   30.0 2
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -57.0   25.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  -47.0   30.0 2
# Restraints file 2: HH2_0NOE.tbl
 assign ((resid  15 and name HA   ))   ( (resid  16 and name HN   ))     3.56  1.76  0.00
 assign ((resid   7 and name HA   ))   ( (resid  10 and name HN   ))     4.23  2.43  0.00
 assign ((resid   7 and name HA   ))   ( (resid  11 and name HN   ))     5.10  3.30  0.00
 assign ((resid   7 and name HA   ))   ( (resid  10 and name HB2  ))     4.31  2.51  0.00
 assign ((resid   7 and name HA   ))   ( (resid  10 and name HB1  ))     4.31  2.51  0.00
 assign ((resid   7 and name HA   ))   ( (resid   7 and name HG12 ))     4.00  2.20  0.00
 assign ((resid   7 and name HA   ))   ( (resid   7 and name HG11 ))     4.00  2.20  0.00
 assign ((resid   7 and name HA   ))   ( (resid   7 and name HG2* ))     3.48  1.68  0.00
 assign ((resid   7 and name HN   ))   ( (resid   7 and name HB   ))     3.48  1.68  0.00
 assign ((resid   7 and name HG2* ))   ( (resid   7 and name HG12 ))     3.77  1.97  0.00
 assign ((resid   7 and name HN   ))   ( (resid   7 and name HG12 ))     4.26  2.46  0.00
 assign ((resid   7 and name HN   ))   ( (resid   7 and name HG11 ))     4.26  2.46  0.00
 assign ((resid   7 and name HG2* ))   ( (resid   7 and name HG11 ))     3.77  1.97  0.00
 assign ((resid   7 and name HG2* ))   ( (resid   8 and name HN   ))     4.40  2.60  0.00
 assign ((resid   7 and name HG2* ))   ( (resid  23 and name HN   ))     4.72  2.92  0.00
 assign ((resid   7 and name HG2* ))   ( (resid  23 and name HA   ))     3.87  2.07  0.00
 assign ((resid   7 and name HN   ))   ( (resid   7 and name HD1* ))     4.62  2.82  0.00
 assign ((resid   4 and name HA   ))   ( (resid   7 and name HD1* ))     4.00  2.20  0.00
 assign ((resid   7 and name HD1* ))   ( (resid  23 and name HA   ))     4.41  2.61  0.00
 assign ((resid   7 and name HA   ))   ( (resid   7 and name HD1* ))     4.29  2.49  0.00
 assign ((resid   7 and name HD1* ))   ( (resid  26 and name HB2  ))     4.60  2.80  0.00
 assign ((resid   7 and name HD1* ))   ( (resid  26 and name HB1  ))     4.60  2.80  0.00
 assign ((resid   7 and name HB   ))   ( (resid   7 and name HD1* ))     3.32  1.52  0.00
 assign ((resid  19 and name HA   ))   ( (resid  19 and name HD1* ))     3.75  1.95  0.00
 assign ((resid  19 and name HB   ))   ( (resid  19 and name HD1* ))     3.66  1.86  0.00
 assign ((resid  19 and name HA   ))   ( (resid  19 and name HG2* ))     3.64  1.84  0.00
 assign ((resid  11 and name HA   ))   ( (resid  19 and name HG2* ))     4.07  2.27  0.00
 assign ((resid  19 and name HG2* ))   ( (resid  20 and name HN   ))     4.40  2.60  0.00
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HG2* ))     3.96  2.16  0.00
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HB   ))     3.56  1.76  0.00
 assign ((resid  16 and name HN   ))   ( (resid  19 and name HB   ))     4.74  2.94  0.00
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HG12 ))     4.13  2.33  0.00
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HG11 ))     4.13  2.33  0.00
 assign ((resid  19 and name HA   ))   ( (resid  22 and name HN   ))     4.27  2.47  0.00
 assign ((resid   1 and name HB*  ))   ( (resid   2 and name HN   ))     4.30  2.50  0.00
 assign ((resid  28 and name HN   ))   ( (resid  28 and name HB*  ))     3.62  1.82  0.00
 assign ((resid  26 and name HB2  ))   ( (resid  27 and name HN   ))     4.84  3.04  0.00
 assign ((resid  23 and name HA   ))   ( (resid  26 and name HB2  ))     4.53  2.73  0.00
 assign ((resid  23 and name HA   ))   ( (resid  26 and name HB1  ))     4.53  2.73  0.00
 assign ((resid  26 and name HB1  ))   ( (resid  27 and name HN   ))     4.84  3.04  0.00
 assign ((resid   4 and name HB2  ))   ( (resid   5 and name HN   ))     4.66  2.86  0.00
 assign ((resid   4 and name HA   ))   ( (resid   7 and name HB   ))     3.94  2.14  0.00
 assign ((resid   4 and name HA   ))   ( (resid   7 and name HN   ))     4.58  2.78  0.00
 assign ((resid  16 and name HB1  ))   ( (resid  17 and name HN   ))     4.31  2.51  0.00
 assign ((resid   3 and name HN   ))   ( (resid   3 and name HB1  ))     4.04  2.24  0.00
 assign ((resid   3 and name HB2  ))   ( (resid   6 and name HB2  ))     5.50  3.70  0.00
 assign ((resid   3 and name HB2  ))   ( (resid   6 and name HB1  ))     5.50  3.70  0.00
 assign ((resid   3 and name HB1  ))   ( (resid   6 and name HB2  ))     5.50  3.70  0.00
 assign ((resid   3 and name HB1  ))   ( (resid   6 and name HB1  ))     5.50  3.70  0.00
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HB2  ))     4.17  2.37  0.00
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HB1  ))     4.17  2.37  0.00
 assign ((resid  17 and name HB2  ))   ( (resid  18 and name HN   ))     4.77  2.97  0.00
 assign ((resid  17 and name HB1  ))   ( (resid  18 and name HN   ))     4.77  2.97  0.00
 assign ((resid  11 and name HA   ))   ( (resid  11 and name HD1* ))     4.03  2.23  0.00
 assign ((resid  23 and name HA   ))   ( (resid  26 and name HN   ))     4.69  2.89  0.00
 assign ((resid  23 and name HA   ))   ( (resid  23 and name HD1* ))     4.53  2.73  0.00
 assign ((resid   8 and name HA   ))   ( (resid  11 and name HB2  ))     4.36  2.56  0.00
 assign ((resid  11 and name HB1  ))   ( (resid  12 and name HN   ))     4.77  2.97  0.00
 assign ((resid  23 and name HN   ))   ( (resid  23 and name HB2  ))     3.78  1.98  0.00
 assign ((resid  20 and name HA   ))   ( (resid  23 and name HB2  ))     4.41  2.61  0.00
 assign ((resid  23 and name HB2  ))   ( (resid  23 and name HD1* ))     3.95  2.15  0.00
 assign ((resid  23 and name HB1  ))   ( (resid  23 and name HD1* ))     3.95  2.15  0.00
 assign ((resid  23 and name HB1  ))   ( (resid  23 and name HD2* ))     3.95  2.15  0.00
 assign ((resid  23 and name HB1  ))   ( (resid  24 and name HN   ))     4.64  2.84  0.00
 assign ((resid  11 and name HN   ))   ( (resid  11 and name HG   ))     4.75  2.95  0.00
 assign ((resid   8 and name HN   ))   ( (resid  23 and name HG   ))     5.23  3.43  0.00
 assign ((resid  23 and name HA   ))   ( (resid  23 and name HD2* ))     4.53  2.73  0.00
 assign ((resid   8 and name HA   ))   ( (resid  23 and name HD2* ))     4.31  2.51  0.00
 assign ((resid  23 and name HB2  ))   ( (resid  23 and name HD2* ))     3.95  2.15  0.00
 assign ((resid  11 and name HA   ))   ( (resid  11 and name HD2* ))     4.03  2.23  0.00
 assign ((resid  11 and name HD2* ))   ( (resid  20 and name HN   ))     4.67  2.87  0.00
 assign ((resid   8 and name HA   ))   ( (resid  23 and name HD1* ))     4.31  2.51  0.00
 assign ((resid   8 and name HA   ))   ( (resid  11 and name HN   ))     4.53  2.73  0.00
 assign ((resid   8 and name HA   ))   ( (resid   8 and name HG2  ))     4.04  2.24  0.00
 assign ((resid   8 and name HA   ))   ( (resid   8 and name HG1  ))     4.04  2.24  0.00
 assign ((resid   8 and name HA   ))   ( (resid  11 and name HB1  ))     4.36  2.56  0.00
 assign ((resid   8 and name HN   ))   ( (resid   8 and name HB2  ))     3.64  1.84  0.00
 assign ((resid   8 and name HB1  ))   ( (resid   9 and name HA   ))     4.16  2.36  0.00
 assign ((resid  20 and name HA   ))   ( (resid  23 and name HN   ))     4.58  2.78  0.00
 assign ((resid  11 and name HD1* ))   ( (resid  20 and name HA   ))     4.12  2.32  0.00
 assign ((resid  11 and name HD2* ))   ( (resid  20 and name HA   ))     4.12  2.32  0.00
 assign ((resid  20 and name HA   ))   ( (resid  23 and name HB1  ))     4.41  2.61  0.00
 assign ((resid  11 and name HG   ))   ( (resid  20 and name HA   ))     4.44  2.64  0.00
 assign ((resid   6 and name HA   ))   ( (resid   6 and name HG2  ))     4.15  2.35  0.00
 assign ((resid   6 and name HA   ))   ( (resid   6 and name HG1  ))     4.15  2.35  0.00
 assign ((resid   6 and name HN   ))   ( (resid   6 and name HG1  ))     4.87  3.07  0.00
 assign ((resid  12 and name HB2  ))   ( (resid  13 and name HN   ))     5.03  3.23  0.00
 assign ((resid  12 and name HB1  ))   ( (resid  13 and name HN   ))     5.03  3.23  0.00
 assign ((resid  12 and name HN   ))   ( (resid  12 and name HG1  ))     4.64  2.84  0.00
 assign ((resid  12 and name HN   ))   ( (resid  12 and name HG2  ))     4.64  2.84  0.00
 assign ((resid  13 and name HB1  ))   ( (resid  14 and name HN   ))     4.61  2.81  0.00
 assign ((resid  13 and name HN   ))   ( (resid  13 and name HB1  ))     4.08  2.28  0.00
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HG2  ))     4.82  3.02  0.00
 assign ((resid  27 and name HN   ))   ( (resid  27 and name HG1  ))     4.82  3.02  0.00
 assign ((resid   2 and name HB1  ))   ( (resid   3 and name HN   ))     4.65  2.85  0.00
 assign ((resid   2 and name HB2  ))   ( (resid   3 and name HN   ))     4.65  2.85  0.00
 assign ((resid   2 and name HG2  ))   ( (resid   3 and name HN   ))     5.50  3.70  0.00
 assign ((resid   2 and name HG1  ))   ( (resid   3 and name HN   ))     5.50  3.70  0.00
 assign ((resid   2 and name HN   ))   ( (resid   2 and name HG2  ))     5.50  3.70  0.00
 assign ((resid   2 and name HN   ))   ( (resid   2 and name HG1  ))     5.50  3.70  0.00
 assign ((resid  25 and name HN   ))   ( (resid  25 and name HB2  ))     4.18  2.38  0.00
 assign ((resid  22 and name HB2  ))   ( (resid  23 and name HN   ))     4.63  2.83  0.00
 assign ((resid  22 and name HB1  ))   ( (resid  23 and name HN   ))     4.63  2.83  0.00
 assign ((resid   7 and name HG2* ))   ( (resid  22 and name HB1  ))     4.49  2.69  0.00
 assign ((resid   7 and name HG2* ))   ( (resid  22 and name HB2  ))     4.49  2.69  0.00
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HB1  ))     4.13  2.33  0.00
 assign ((resid  10 and name HN   ))   ( (resid  10 and name HG1  ))     4.54  2.74  0.00
 assign ((resid   5 and name HB2  ))   ( (resid   6 and name HN   ))     4.51  2.71  0.00
 assign ((resid  10 and name HB1  ))   ( (resid  11 and name HN   ))     4.31  2.51  0.00
 assign ((resid   5 and name HN   ))   ( (resid   5 and name HB1  ))     3.78  1.98  0.00
 assign ((resid   2 and name HA   ))   ( (resid   3 and name HN   ))     3.52  1.72  0.00
 assign ((resid   3 and name HN   ))   ( (resid   3 and name HB2  ))     4.04  2.24  0.00
 assign ((resid   4 and name HB1  ))   ( (resid   5 and name HN   ))     4.66  2.86  0.00
 assign ((resid   5 and name HN   ))   ( (resid   5 and name HG2  ))     5.28  3.48  0.00
 assign ((resid   5 and name HN   ))   ( (resid   5 and name HG1  ))     5.28  3.48  0.00
 assign ((resid   5 and name HN   ))   ( (resid   5 and name HB2  ))     3.78  1.98  0.00
 assign ((resid   5 and name HN   ))   ( (resid   6 and name HN   ))     3.64  1.84  0.00
 assign ((resid   5 and name HB1  ))   ( (resid   6 and name HN   ))     4.51  2.71  0.00
 assign ((resid   6 and name HN   ))   ( (resid   6 and name HG2  ))     4.87  3.07  0.00
 assign ((resid   4 and name HA   ))   ( (resid   6 and name HN   ))     5.50  3.70  0.00
 assign ((resid   6 and name HN   ))   ( (resid   7 and name HN   ))     3.74  1.94  0.00
 assign ((resid   7 and name HN   ))   ( (resid   8 and name HN   ))     3.82  2.02  0.00
 assign ((resid   6 and name HB2  ))   ( (resid   7 and name HN   ))     4.41  2.61  0.00
 assign ((resid   6 and name HB1  ))   ( (resid   7 and name HN   ))     4.41  2.61  0.00
 assign ((resid   7 and name HN   ))   ( (resid   7 and name HG2* ))     4.38  2.58  0.00
 assign ((resid   7 and name HB   ))   ( (resid   8 and name HN   ))     3.49  1.69  0.00
 assign ((resid   8 and name HN   ))   ( (resid   9 and name HN   ))     3.74  1.94  0.00
 assign ((resid   8 and name HB2  ))   ( (resid   9 and name HN   ))     3.68  1.88  0.00
 assign ((resid   8 and name HB1  ))   ( (resid   9 and name HN   ))     3.87  2.07  0.00
 assign ((resid  10 and name HN   ))   ( (resid  11 and name HN   ))     3.50  1.70  0.00
 assign ((resid  10 and name HN   ))   ( (resid  10 and name HG2  ))     4.54  2.74  0.00
 assign ((resid  10 and name HN   ))   ( (resid  10 and name HB2  ))     4.11  2.31  0.00
 assign ((resid  10 and name HN   ))   ( (resid  10 and name HB1  ))     4.11  2.31  0.00
 assign ((resid   9 and name HA   ))   ( (resid  11 and name HN   ))     4.18  2.38  0.00
 assign ((resid  11 and name HN   ))   ( (resid  11 and name HB2  ))     3.76  1.96  0.00
 assign ((resid  11 and name HN   ))   ( (resid  11 and name HB1  ))     3.76  1.96  0.00
 assign ((resid  10 and name HB2  ))   ( (resid  11 and name HN   ))     4.31  2.51  0.00
 assign ((resid  11 and name HN   ))   ( (resid  12 and name HN   ))     3.79  1.99  0.00
 assign ((resid  11 and name HB2  ))   ( (resid  12 and name HN   ))     4.77  2.97  0.00
 assign ((resid  12 and name HN   ))   ( (resid  13 and name HN   ))     3.64  1.84  0.00
 assign ((resid  13 and name HN   ))   ( (resid  13 and name HB2  ))     4.08  2.28  0.00
 assign ((resid  13 and name HN   ))   ( (resid  14 and name HN   ))     3.69  1.89  0.00
 assign ((resid  13 and name HB2  ))   ( (resid  14 and name HN   ))     4.61  2.81  0.00
 assign ((resid  16 and name HB2  ))   ( (resid  17 and name HN   ))     4.31  2.51  0.00
 assign ((resid  17 and name HN   ))   ( (resid  18 and name HN   ))     3.91  2.11  0.00
 assign ((resid  18 and name HN   ))   ( (resid  19 and name HN   ))     3.81  2.01  0.00
 assign ((resid  19 and name HN   ))   ( (resid  20 and name HN   ))     3.68  1.88  0.00
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HN   ))     4.55  2.75  0.00
 assign ((resid  19 and name HB   ))   ( (resid  20 and name HN   ))     3.57  1.77  0.00
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HB2  ))     4.13  2.33  0.00
 assign ((resid  11 and name HD1* ))   ( (resid  20 and name HN   ))     4.67  2.87  0.00
 assign ((resid  22 and name HN   ))   ( (resid  23 and name HN   ))     3.69  1.89  0.00
 assign ((resid  22 and name HN   ))   ( (resid  22 and name HB2  ))     3.78  1.98  0.00
 assign ((resid  22 and name HN   ))   ( (resid  22 and name HB1  ))     3.78  1.98  0.00
 assign ((resid  23 and name HN   ))   ( (resid  23 and name HB1  ))     3.78  1.98  0.00
 assign ((resid  23 and name HN   ))   ( (resid  23 and name HG   ))     4.67  2.87  0.00
 assign ((resid  23 and name HN   ))   ( (resid  24 and name HN   ))     3.59  1.79  0.00
 assign ((resid  23 and name HB2  ))   ( (resid  24 and name HN   ))     4.64  2.84  0.00
 assign ((resid  24 and name HN   ))   ( (resid  25 and name HN   ))     3.94  2.14  0.00
 assign ((resid  25 and name HN   ))   ( (resid  26 and name HN   ))     3.69  1.89  0.00
 assign ((resid  23 and name HA   ))   ( (resid  25 and name HN   ))     4.78  2.98  0.00
 assign ((resid  25 and name HN   ))   ( (resid  25 and name HB1  ))     4.18  2.38  0.00
 assign ((resid  26 and name HN   ))   ( (resid  27 and name HN   ))     4.05  2.25  0.00
 assign ((resid  26 and name HN   ))   ( (resid  26 and name HB2  ))     3.86  2.06  0.00
 assign ((resid  26 and name HN   ))   ( (resid  26 and name HB1  ))     3.86  2.06  0.00
 assign ((resid  27 and name HN   ))   ( (resid  28 and name HN   ))     4.07  2.27  0.00
 assign ((resid   2 and name HN   ))   ( (resid   2 and name HG*  ))     4.73  2.93  0.00
 assign ((resid   3 and name HN   ))   ( (resid   3 and name HB*  ))     3.53  1.73  0.00
 assign ((resid   3 and name HB*  ))   ( (resid   4 and name HN   ))     4.38  2.58  0.00
 assign ((resid   3 and name HB*  ))   ( (resid   6 and name HB*  ))     4.32  2.52  0.00
 assign ((resid   4 and name HN   ))   ( (resid   4 and name HB*  ))     3.56  1.76  0.00
 assign ((resid   4 and name HB*  ))   ( (resid  23 and name HD*  ))     3.63  1.83  0.00
 assign ((resid   5 and name HN   ))   ( (resid   5 and name HB*  ))     3.30  1.50  0.00
 assign ((resid   5 and name HN   ))   ( (resid   5 and name HG*  ))     4.53  2.73  0.00
 assign ((resid   5 and name HB*  ))   ( (resid   6 and name HN   ))     3.77  1.97  0.00
 assign ((resid   6 and name HN   ))   ( (resid   6 and name HB*  ))     3.33  1.53  0.00
 assign ((resid   6 and name HN   ))   ( (resid   6 and name HG*  ))     4.23  2.43  0.00
 assign ((resid   6 and name HA   ))   ( (resid   6 and name HG*  ))     3.63  1.83  0.00
 assign ((resid   6 and name HB*  ))   ( (resid   7 and name HN   ))     3.64  1.84  0.00
 assign ((resid   7 and name HN   ))   ( (resid   7 and name HG1* ))     3.41  1.61  0.00
 assign ((resid   7 and name HA   ))   ( (resid   7 and name HG1* ))     3.41  1.61  0.00
 assign ((resid   7 and name HA   ))   ( (resid  10 and name HB*  ))     3.71  1.91  0.00
 assign ((resid   7 and name HG2* ))   ( (resid   7 and name HG1* ))     3.03  1.23  0.00
 assign ((resid   7 and name HG2* ))   ( (resid  22 and name HB*  ))     3.76  1.96  0.00
 assign ((resid   7 and name HG2* ))   ( (resid  26 and name HB*  ))     4.19  2.39  0.00
 assign ((resid   7 and name HD1* ))   ( (resid  22 and name HB*  ))     4.42  2.62  0.00
 assign ((resid   7 and name HD1* ))   ( (resid  26 and name HB*  ))     3.97  2.17  0.00
 assign ((resid   8 and name HN   ))   ( (resid   8 and name HG*  ))     4.28  2.48  0.00
 assign ((resid   8 and name HN   ))   ( (resid  23 and name HD*  ))     4.42  2.62  0.00
 assign ((resid   8 and name HA   ))   ( (resid  11 and name HB*  ))     3.81  2.01  0.00
 assign ((resid   8 and name HA   ))   ( (resid  11 and name HD*  ))     4.55  2.75  0.00
 assign ((resid   8 and name HA   ))   ( (resid  23 and name HD*  ))     3.76  1.96  0.00
 assign ((resid   8 and name HB2  ))   ( (resid  23 and name HD*  ))     3.71  1.91  0.00
 assign ((resid   8 and name HG*  ))   ( (resid  23 and name HD*  ))     3.66  1.86  0.00
 assign ((resid  10 and name HN   ))   ( (resid  10 and name HB*  ))     3.49  1.69  0.00
 assign ((resid  10 and name HN   ))   ( (resid  10 and name HG*  ))     3.90  2.10  0.00
 assign ((resid  10 and name HA   ))   ( (resid  10 and name HG*  ))     3.67  1.87  0.00
 assign ((resid  10 and name HB*  ))   ( (resid  11 and name HN   ))     3.66  1.86  0.00
 assign ((resid  11 and name HN   ))   ( (resid  11 and name HB*  ))     3.20  1.40  0.00
 assign ((resid  11 and name HN   ))   ( (resid  11 and name HD*  ))     4.93  3.13  0.00
 assign ((resid  11 and name HA   ))   ( (resid  11 and name HD*  ))     3.32  1.52  0.00
 assign ((resid  11 and name HB*  ))   ( (resid  12 and name HN   ))     3.99  2.19  0.00
 assign ((resid  11 and name HB*  ))   ( (resid  19 and name HG2* ))     4.32  2.52  0.00
 assign ((resid  11 and name HD*  ))   ( (resid  15 and name HA   ))     3.81  2.01  0.00
 assign ((resid  11 and name HD*  ))   ( (resid  15 and name HB*  ))     4.47  2.67  0.00
 assign ((resid  11 and name HD*  ))   ( (resid  16 and name HN   ))     4.23  2.43  0.00
 assign ((resid  11 and name HD*  ))   ( (resid  19 and name HN   ))     4.92  3.12  0.00
 assign ((resid  11 and name HD*  ))   ( (resid  19 and name HB   ))     3.52  1.72  0.00
 assign ((resid  11 and name HD*  ))   ( (resid  19 and name HG1* ))     3.89  2.09  0.00
 assign ((resid  11 and name HD*  ))   ( (resid  20 and name HN   ))     3.88  2.08  0.00
 assign ((resid  11 and name HD*  ))   ( (resid  20 and name HA   ))     3.50  1.70  0.00
 assign ((resid  11 and name HD*  ))   ( (resid  20 and name HB*  ))     4.02  2.22  0.00
 assign ((resid  12 and name HN   ))   ( (resid  12 and name HB*  ))     3.41  1.61  0.00
 assign ((resid  12 and name HN   ))   ( (resid  12 and name HG*  ))     3.94  2.14  0.00
 assign ((resid  12 and name HA   ))   ( (resid  12 and name HG*  ))     3.71  1.91  0.00
 assign ((resid  12 and name HB*  ))   ( (resid  13 and name HN   ))     4.35  2.55  0.00
 assign ((resid  13 and name HN   ))   ( (resid  13 and name HB*  ))     3.52  1.72  0.00
 assign ((resid  13 and name HN   ))   ( (resid  13 and name HG*  ))     4.67  2.87  0.00
 assign ((resid  13 and name HB*  ))   ( (resid  14 and name HN   ))     3.95  2.15  0.00
 assign ((resid  14 and name HN   ))   ( (resid  15 and name HD*  ))     4.49  2.69  0.00
 assign ((resid  16 and name HN   ))   ( (resid  20 and name HB*  ))     4.62  2.82  0.00
 assign ((resid  17 and name HN   ))   ( (resid  17 and name HB*  ))     3.41  1.61  0.00
 assign ((resid  17 and name HA   ))   ( (resid  20 and name HB*  ))     3.68  1.88  0.00
 assign ((resid  17 and name HB*  ))   ( (resid  18 and name HN   ))     3.91  2.11  0.00
 assign ((resid  19 and name HN   ))   ( (resid  19 and name HG1* ))     3.59  1.79  0.00
 assign ((resid  19 and name HA   ))   ( (resid  19 and name HG1* ))     3.65  1.85  0.00
 assign ((resid  19 and name HA   ))   ( (resid  22 and name HB*  ))     3.78  1.98  0.00
 assign ((resid  19 and name HG2* ))   ( (resid  19 and name HG1* ))     3.23  1.43  0.00
 assign ((resid  19 and name HD1* ))   ( (resid  22 and name HB*  ))     4.92  3.12  0.00
 assign ((resid  20 and name HN   ))   ( (resid  20 and name HB*  ))     3.52  1.72  0.00
 assign ((resid  20 and name HA   ))   ( (resid  23 and name HB*  ))     3.72  1.92  0.00
 assign ((resid  20 and name HB*  ))   ( (resid  21 and name HN   ))     3.24  1.44  0.00
 assign ((resid  22 and name HB*  ))   ( (resid  23 and name HN   ))     4.05  2.25  0.00
 assign ((resid  23 and name HN   ))   ( (resid  23 and name HB*  ))     3.30  1.50  0.00
 assign ((resid  23 and name HN   ))   ( (resid  23 and name HD*  ))     4.39  2.59  0.00
 assign ((resid  23 and name HA   ))   ( (resid  23 and name HD*  ))     3.27  1.47  0.00
 assign ((resid  23 and name HA   ))   ( (resid  26 and name HB*  ))     3.90  2.10  0.00
 assign ((resid  23 and name HB*  ))   ( (resid  24 and name HN   ))     3.79  1.99  0.00
 assign ((resid  23 and name HD*  ))   ( (resid  26 and name HB*  ))     4.02  2.22  0.00
 assign ((resid  25 and name HN   ))   ( (resid  25 and name HB*  ))     3.61  1.81  0.00
 assign ((resid  25 and name HN   ))   ( (resid  25 and name HG*  ))     4.40  2.60  0.00
 assign ((resid  26 and name HN   ))   ( (resid  26 and name HB*  ))     3.36  1.56  0.00
 assign ((resid  26 and name HB*  ))   ( (resid  27 and name HN   ))     4.18  2.38  0.00
 assign ((resid  27 and name HA   ))   ( (resid  27 and name HG*  ))     3.74  1.94  0.00
# Restraints file 3: HH2_hbonds.tbl
 assign ((resid   3 and name O    ))   ( (resid   7 and name HN   ))     2.00  0.20  0.00
 assign ((resid   3 and name O    ))   ( (resid   7 and name N    ))     3.00  0.30  0.00
 assign ((resid   4 and name O    ))   ( (resid   8 and name HN   ))     2.00  0.20  0.00
 assign ((resid   4 and name O    ))   ( (resid   8 and name N    ))     3.00  0.30  0.00
 assign ((resid   5 and name O    ))   ( (resid   9 and name HN   ))     2.00  0.20  0.00
 assign ((resid   5 and name O    ))   ( (resid   9 and name N    ))     3.00  0.30  0.00
 assign ((resid   6 and name O    ))   ( (resid  10 and name HN   ))     2.00  0.20  0.00
 assign ((resid   6 and name O    ))   ( (resid  10 and name N    ))     3.00  0.30  0.00
 assign ((resid   7 and name O    ))   ( (resid  11 and name HN   ))     2.00  0.20  0.00
 assign ((resid   7 and name O    ))   ( (resid  11 and name N    ))     3.00  0.30  0.00
 assign ((resid   8 and name O    ))   ( (resid  12 and name HN   ))     2.00  0.20  0.00
 assign ((resid   8 and name O    ))   ( (resid  12 and name N    ))     3.00  0.30  0.00
 assign ((resid  16 and name O    ))   ( (resid  20 and name HN   ))     2.00  0.20  0.00
 assign ((resid  16 and name O    ))   ( (resid  20 and name N    ))     3.00  0.30  0.00
 assign ((resid  17 and name O    ))   ( (resid  21 and name HN   ))     2.00  0.20  0.00
 assign ((resid  17 and name O    ))   ( (resid  21 and name N    ))     3.00  0.30  0.00
 assign ((resid  18 and name O    ))   ( (resid  22 and name HN   ))     2.00  0.20  0.00
 assign ((resid  18 and name O    ))   ( (resid  22 and name N    ))     3.00  0.30  0.00
 assign ((resid  19 and name O    ))   ( (resid  23 and name HN   ))     2.00  0.20  0.00
 assign ((resid  19 and name O    ))   ( (resid  23 and name N    ))     3.00  0.30  0.00
 assign ((resid   3 and name O    ))   ( (resid   7 and name HN   ))     2.00  0.20  0.00
 assign ((resid   3 and name O    ))   ( (resid   7 and name N    ))     3.00  0.30  0.00
 assign ((resid   4 and name O    ))   ( (resid   8 and name HN   ))     2.00  0.20  0.00
 assign ((resid   4 and name O    ))   ( (resid   8 and name N    ))     3.00  0.30  0.00
 assign ((resid   5 and name O    ))   ( (resid   9 and name HN   ))     2.00  0.20  0.00
 assign ((resid   5 and name O    ))   ( (resid   9 and name N    ))     3.00  0.30  0.00
 assign ((resid   6 and name O    ))   ( (resid  10 and name HN   ))     2.00  0.20  0.00
 assign ((resid   6 and name O    ))   ( (resid  10 and name N    ))     3.00  0.30  0.00
 assign ((resid   7 and name O    ))   ( (resid  11 and name HN   ))     2.00  0.20  0.00
 assign ((resid   7 and name O    ))   ( (resid  11 and name N    ))     3.00  0.30  0.00
 assign ((resid   8 and name O    ))   ( (resid  12 and name HN   ))     2.00  0.20  0.00
 assign ((resid   8 and name O    ))   ( (resid  12 and name N    ))     3.00  0.30  0.00
 assign ((resid  16 and name O    ))   ( (resid  20 and name HN   ))     2.00  0.20  0.00
 assign ((resid  16 and name O    ))   ( (resid  20 and name N    ))     3.00  0.30  0.00
 assign ((resid  17 and name O    ))   ( (resid  21 and name HN   ))     2.00  0.20  0.00
 assign ((resid  17 and name O    ))   ( (resid  21 and name N    ))     3.00  0.30  0.00
 assign ((resid  18 and name O    ))   ( (resid  22 and name HN   ))     2.00  0.20  0.00
 assign ((resid  18 and name O    ))   ( (resid  22 and name N    ))     3.00  0.30  0.00
 assign ((resid  19 and name O    ))   ( (resid  23 and name HN   ))     2.00  0.20  0.00
 assign ((resid  19 and name O    ))   ( (resid  23 and name N    ))     3.00  0.30  0.00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1          1H        ALA   1  13.672   6.213   5.775
    2    H2   ALA   1          2H        ALA   1  12.146   6.749   5.278
    3    H3   ALA   1          3H        ALA   1  12.791   5.323   4.636
    4    HA   ALA   1           HA       ALA   1  12.740   4.303   6.830
    5    HB1  ALA   1          1HB       ALA   1  12.890   6.346   8.151
    6    HB2  ALA   1          2HB       ALA   1  11.471   5.407   8.619
    7    HB3  ALA   1          3HB       ALA   1  11.288   6.839   7.602
    8    H    GLU   2           H        GLU   2  11.705   3.189   5.051
    9    HA   GLU   2           HA       GLU   2   8.842   2.956   5.476
   10    HB2  GLU   2          1HB       GLU   2   8.348   2.995   3.048
   11    HB3  GLU   2          2HB       GLU   2   8.917   4.550   3.630
   12    HG2  GLU   2          1HG       GLU   2  10.736   2.561   2.288
   13    HG3  GLU   2          2HG       GLU   2   9.815   3.760   1.388
   14    H    ASP   3           H        ASP   3   8.016   1.008   4.208
   15    HA   ASP   3           HA       ASP   3  10.056  -0.973   3.559
   16    HB2  ASP   3          1HB       ASP   3   9.580  -1.213   6.014
   17    HB3  ASP   3          2HB       ASP   3   7.899  -1.547   5.616
   18    H    CYS   4           H        CYS   4   9.458  -1.735   1.648
   19    HA   CYS   4           HA       CYS   4   7.068  -1.050   0.403
   20    HB2  CYS   4          2HB       CYS   4   8.998  -3.264  -0.328
   21    HB3  CYS   4          1HB       CYS   4   7.773  -2.579  -1.396
   22    H    GLU   5           H        GLU   5   8.003  -4.120   1.933
   23    HA   GLU   5           HA       GLU   5   5.638  -5.492   1.125
   24    HB2  GLU   5          1HB       GLU   5   7.662  -6.110   3.283
   25    HB3  GLU   5          2HB       GLU   5   6.347  -7.189   2.825
   26    HG2  GLU   5          1HG       GLU   5   7.268  -7.177   0.493
   27    HG3  GLU   5          2HG       GLU   5   8.663  -6.297   1.118
   28    H    ARG   6           H        ARG   6   6.555  -3.664   3.985
   29    HA   ARG   6           HA       ARG   6   4.296  -4.320   5.565
   30    HB2  ARG   6          1HB       ARG   6   6.420  -3.284   6.409
   31    HB3  ARG   6          2HB       ARG   6   5.937  -1.775   5.649
   32    HG2  ARG   6          1HG       ARG   6   3.996  -1.631   7.103
   33    HG3  ARG   6          2HG       ARG   6   4.400  -3.189   7.829
   34    HD2  ARG   6          1HD       ARG   6   6.002  -0.634   7.974
   35    HD3  ARG   6          2HD       ARG   6   5.161  -1.444   9.298
   36    HE   ARG   6           HE       ARG   6   6.994  -3.255   8.221
   37   HH11  ARG   6          1HH1      ARG   6   7.008  -0.241  10.008
   38   HH12  ARG   6          2HH1      ARG   6   8.577  -0.519  10.702
   39   HH21  ARG   6          1HH2      ARG   6   9.056  -3.620   9.131
   40   HH22  ARG   6          2HH2      ARG   6   9.732  -2.439  10.211
   41    H    ILE   7           H        ILE   7   5.008  -1.665   3.337
   42    HA   ILE   7           HA       ILE   7   2.527  -0.333   3.550
   43    HB   ILE   7           HB       ILE   7   4.414  -0.439   1.175
   44   HG12  ILE   7          1HG1      ILE   7   4.211   1.594   3.422
   45   HG13  ILE   7          2HG1      ILE   7   5.478   0.385   3.261
   46   HG21  ILE   7          1HG2      ILE   7   2.196   0.346   0.523
   47   HG22  ILE   7          2HG2      ILE   7   3.356   1.672   0.483
   48   HG23  ILE   7          3HG2      ILE   7   2.216   1.537   1.823
   49   HD11  ILE   7          1HD1      ILE   7   6.203   1.430   1.173
   50   HD12  ILE   7          2HD1      ILE   7   6.249   2.557   2.526
   51   HD13  ILE   7          3HD1      ILE   7   4.941   2.649   1.348
   52    H    ARG   8           H        ARG   8   3.653  -3.024   1.577
   53    HA   ARG   8           HA       ARG   8   1.443  -3.347  -0.110
   54    HB2  ARG   8          1HB       ARG   8   3.601  -4.600  -0.288
   55    HB3  ARG   8          2HB       ARG   8   3.126  -5.549   1.111
   56    HG2  ARG   8          1HG       ARG   8   1.206  -6.426  -0.111
   57    HG3  ARG   8          2HG       ARG   8   1.651  -5.461  -1.519
   58    HD2  ARG   8          1HD       ARG   8   2.384  -7.781  -1.768
   59    HD3  ARG   8          2HD       ARG   8   3.759  -6.679  -1.701
   60    HE   ARG   8           HE       ARG   8   2.925  -8.036   0.764
   61   HH11  ARG   8          1HH1      ARG   8   5.250  -7.692  -1.829
   62   HH12  ARG   8          2HH1      ARG   8   6.487  -8.586  -1.006
   63   HH21  ARG   8          1HH2      ARG   8   4.554  -9.202   1.855
   64   HH22  ARG   8          2HH2      ARG   8   6.105  -9.432   1.100
   65    H    LYS   9           H        LYS   9   2.117  -4.672   3.091
   66    HA   LYS   9           HA       LYS   9  -0.264  -6.096   3.462
   67    HB2  LYS   9          1HB       LYS   9   1.673  -6.340   4.948
   68    HB3  LYS   9          2HB       LYS   9   1.463  -4.695   5.525
   69    HG2  LYS   9          1HG       LYS   9   0.614  -6.199   7.177
   70    HG3  LYS   9          2HG       LYS   9  -0.746  -5.346   6.449
   71    HD2  LYS   9          1HD       LYS   9  -1.428  -7.602   6.645
   72    HD3  LYS   9          2HD       LYS   9  -1.042  -7.372   4.941
   73    HE2  LYS   9          1HE       LYS   9   0.943  -8.511   6.909
   74    HE3  LYS   9          2HE       LYS   9  -0.219  -9.522   6.054
   75    HZ1  LYS   9          1HZ       LYS   9   1.878  -9.506   4.907
   76    HZ2  LYS   9          2HZ       LYS   9   1.873  -7.823   4.806
   77    HZ3  LYS   9          3HZ       LYS   9   0.722  -8.723   3.954
   78    H    GLU  10           H        GLU  10   0.558  -2.737   4.293
   79    HA   GLU  10           HA       GLU  10  -1.964  -2.046   5.348
   80    HB2  GLU  10          1HB       GLU  10   0.294  -0.416   4.200
   81    HB3  GLU  10          2HB       GLU  10  -1.206   0.348   4.710
   82    HG2  GLU  10          1HG       GLU  10   0.636  -1.287   6.448
   83    HG3  GLU  10          2HG       GLU  10   0.470   0.468   6.460
   84    H    LEU  11           H        LEU  11  -0.757  -2.182   2.064
   85    HA   LEU  11           HA       LEU  11  -2.999  -0.743   0.959
   86    HB2  LEU  11          1HB       LEU  11  -0.713  -0.786  -0.087
   87    HB3  LEU  11          2HB       LEU  11  -0.985  -2.470  -0.497
   88    HG   LEU  11           HG       LEU  11  -2.896  -1.808  -1.921
   89   HD11  LEU  11          1HD1      LEU  11  -3.259   0.551  -2.462
   90   HD12  LEU  11          2HD1      LEU  11  -2.093   1.010  -1.220
   91   HD13  LEU  11          3HD1      LEU  11  -3.596   0.202  -0.767
   92   HD21  LEU  11          1HD2      LEU  11  -1.610  -0.784  -3.718
   93   HD22  LEU  11          2HD2      LEU  11  -0.678  -2.046  -2.913
   94   HD23  LEU  11          3HD2      LEU  11  -0.340  -0.346  -2.573
   95    H    GLU  12           H        GLU  12  -2.248  -4.003   1.785
   96    HA   GLU  12           HA       GLU  12  -4.186  -5.337   0.215
   97    HB2  GLU  12          1HB       GLU  12  -2.225  -6.408   1.315
   98    HB3  GLU  12          2HB       GLU  12  -2.955  -6.095   2.881
   99    HG2  GLU  12          1HG       GLU  12  -3.396  -8.335   2.413
  100    HG3  GLU  12          2HG       GLU  12  -4.905  -7.483   2.102
  101    H    LYS  13           H        LYS  13  -4.104  -4.359   3.627
  102    HA   LYS  13           HA       LYS  13  -6.854  -4.922   4.111
  103    HB2  LYS  13          1HB       LYS  13  -6.440  -3.617   6.246
  104    HB3  LYS  13          2HB       LYS  13  -5.395  -5.006   5.987
  105    HG2  LYS  13          1HG       LYS  13  -3.649  -3.439   5.123
  106    HG3  LYS  13          2HG       LYS  13  -4.686  -2.100   5.597
  107    HD2  LYS  13          1HD       LYS  13  -3.816  -4.230   7.547
  108    HD3  LYS  13          2HD       LYS  13  -2.839  -2.798   7.228
  109    HE2  LYS  13          1HE       LYS  13  -5.709  -2.720   8.159
  110    HE3  LYS  13          2HE       LYS  13  -4.315  -2.613   9.232
  111    HZ1  LYS  13          1HZ       LYS  13  -3.602  -0.634   7.962
  112    HZ2  LYS  13          2HZ       LYS  13  -5.089  -0.423   8.745
  113    HZ3  LYS  13          3HZ       LYS  13  -5.046  -0.705   7.080
  114    H    ASN  14           H        ASN  14  -5.047  -2.007   3.257
  115    HA   ASN  14           HA       ASN  14  -7.613  -0.572   2.946
  116    HB2  ASN  14          1HB       ASN  14  -4.944   0.546   3.852
  117    HB3  ASN  14          2HB       ASN  14  -6.339   1.535   3.436
  118   HD21  ASN  14          1HD2      ASN  14  -6.075   0.888   7.138
  119   HD22  ASN  14          2HD2      ASN  14  -4.897   1.341   5.953
  120    HA   PRO  15           HA       PRO  15  -5.833  -0.460  -1.276
  121    HB2  PRO  15          2HB       PRO  15  -8.229  -0.065  -2.515
  122    HB3  PRO  15          1HB       PRO  15  -7.659  -1.666  -2.031
  123    HG2  PRO  15          2HG       PRO  15  -9.593   0.154  -0.637
  124    HG3  PRO  15          1HG       PRO  15  -9.699  -1.598  -0.902
  125    HD2  PRO  15          2HD       PRO  15  -8.897  -0.524   1.459
  126    HD3  PRO  15          1HD       PRO  15  -8.280  -2.077   0.861
  127    H    ASN  16           H        ASN  16  -4.997   1.572  -0.141
  128    HA   ASN  16           HA       ASN  16  -6.581   3.984  -0.671
  129    HB2  ASN  16          1HB       ASN  16  -5.711   3.740   1.592
  130    HB3  ASN  16          2HB       ASN  16  -4.074   3.543   0.975
  131   HD21  ASN  16          1HD2      ASN  16  -5.693   7.225   1.430
  132   HD22  ASN  16          2HD2      ASN  16  -6.621   5.784   1.671
  133    H    ASP  17           H        ASP  17  -5.851   5.665  -1.938
  134    HA   ASP  17           HA       ASP  17  -4.296   5.045  -4.189
  135    HB2  ASP  17          1HB       ASP  17  -5.951   6.785  -4.340
  136    HB3  ASP  17          2HB       ASP  17  -5.180   7.708  -3.053
  137    H    GLU  18           H        GLU  18  -3.506   7.367  -1.583
  138    HA   GLU  18           HA       GLU  18  -0.933   7.954  -2.472
  139    HB2  GLU  18          1HB       GLU  18  -2.039   8.026   0.342
  140    HB3  GLU  18          2HB       GLU  18  -0.498   8.730  -0.135
  141    HG2  GLU  18          1HG       GLU  18  -1.673  10.219  -1.693
  142    HG3  GLU  18          2HG       GLU  18  -3.213   9.535  -1.170
  143    H    ILE  19           H        ILE  19  -2.037   5.452  -0.235
  144    HA   ILE  19           HA       ILE  19   0.479   4.457   0.518
  145    HB   ILE  19           HB       ILE  19  -2.168   2.998   0.270
  146   HG12  ILE  19          1HG1      ILE  19  -2.190   4.875   1.862
  147   HG13  ILE  19          2HG1      ILE  19  -2.311   3.336   2.705
  148   HG21  ILE  19          1HG2      ILE  19  -0.342   1.388   0.227
  149   HG22  ILE  19          2HG2      ILE  19  -1.194   1.301   1.769
  150   HG23  ILE  19          3HG2      ILE  19   0.366   2.121   1.669
  151   HD11  ILE  19          1HD1      ILE  19  -0.835   4.891   3.859
  152   HD12  ILE  19          2HD1      ILE  19   0.188   4.994   2.429
  153   HD13  ILE  19          3HD1      ILE  19   0.046   3.470   3.304
  154    H    LYS  20           H        LYS  20  -1.708   3.452  -2.107
  155    HA   LYS  20           HA       LYS  20  -0.135   1.434  -3.216
  156    HB2  LYS  20          1HB       LYS  20  -2.410   1.719  -3.961
  157    HB3  LYS  20          2HB       LYS  20  -2.076   3.349  -4.537
  158    HG2  LYS  20          1HG       LYS  20  -0.593   2.444  -6.260
  159    HG3  LYS  20          2HG       LYS  20  -0.916   0.806  -5.685
  160    HD2  LYS  20          1HD       LYS  20  -3.257   1.021  -6.291
  161    HD3  LYS  20          2HD       LYS  20  -3.016   2.712  -6.742
  162    HE2  LYS  20          1HE       LYS  20  -3.090   1.242  -8.710
  163    HE3  LYS  20          2HE       LYS  20  -1.530   2.044  -8.550
  164    HZ1  LYS  20          1HZ       LYS  20  -1.350  -0.319  -9.129
  165    HZ2  LYS  20          2HZ       LYS  20  -2.089  -0.733  -7.668
  166    HZ3  LYS  20          3HZ       LYS  20  -0.589   0.039  -7.667
  167    H    LYS  21           H        LYS  21  -0.254   4.904  -4.040
  168    HA   LYS  21           HA       LYS  21   1.578   4.769  -6.169
  169    HB2  LYS  21          1HB       LYS  21   0.978   7.173  -4.426
  170    HB3  LYS  21          2HB       LYS  21   1.670   7.203  -6.041
  171    HG2  LYS  21          1HG       LYS  21  -1.129   6.403  -5.263
  172    HG3  LYS  21          2HG       LYS  21  -0.634   7.814  -6.198
  173    HD2  LYS  21          1HD       LYS  21  -0.272   4.942  -7.077
  174    HD3  LYS  21          2HD       LYS  21  -1.589   5.993  -7.592
  175    HE2  LYS  21          1HE       LYS  21  -0.039   7.492  -8.673
  176    HE3  LYS  21          2HE       LYS  21   1.338   6.583  -8.044
  177    HZ1  LYS  21          1HZ       LYS  21   0.665   4.691  -9.361
  178    HZ2  LYS  21          2HZ       LYS  21   0.855   6.045 -10.358
  179    HZ3  LYS  21          3HZ       LYS  21  -0.696   5.524  -9.936
  180    H    LYS  22           H        LYS  22   2.013   5.408  -2.730
  181    HA   LYS  22           HA       LYS  22   4.832   5.932  -3.026
  182    HB2  LYS  22          1HB       LYS  22   3.066   5.627  -0.590
  183    HB3  LYS  22          2HB       LYS  22   4.797   5.931  -0.491
  184    HG2  LYS  22          1HG       LYS  22   4.481   8.005  -1.797
  185    HG3  LYS  22          2HG       LYS  22   2.743   7.711  -1.798
  186    HD2  LYS  22          1HD       LYS  22   4.420   8.067   0.691
  187    HD3  LYS  22          2HD       LYS  22   3.497   9.354  -0.085
  188    HE2  LYS  22          1HE       LYS  22   1.437   7.966   0.240
  189    HE3  LYS  22          2HE       LYS  22   2.412   6.835   1.182
  190    HZ1  LYS  22          1HZ       LYS  22   1.219   8.447   2.568
  191    HZ2  LYS  22          2HZ       LYS  22   2.054   9.709   1.821
  192    HZ3  LYS  22          3HZ       LYS  22   2.897   8.581   2.754
  193    H    LEU  23           H        LEU  23   2.868   3.139  -2.619
  194    HA   LEU  23           HA       LEU  23   4.926   1.393  -1.678
  195    HB2  LEU  23          1HB       LEU  23   2.440   0.912  -1.666
  196    HB3  LEU  23          2HB       LEU  23   2.536   0.678  -3.399
  197    HG   LEU  23           HG       LEU  23   4.119  -0.996  -1.431
  198   HD11  LEU  23          1HD1      LEU  23   2.399  -2.715  -1.715
  199   HD12  LEU  23          2HD1      LEU  23   1.423  -1.584  -2.652
  200   HD13  LEU  23          3HD1      LEU  23   1.751  -1.266  -0.948
  201   HD21  LEU  23          1HD2      LEU  23   3.375  -1.442  -4.329
  202   HD22  LEU  23          2HD2      LEU  23   4.232  -2.592  -3.303
  203   HD23  LEU  23          3HD2      LEU  23   4.980  -1.050  -3.715
  204    H    GLU  24           H        GLU  24   3.604   2.132  -4.892
  205    HA   GLU  24           HA       GLU  24   5.186   0.485  -6.453
  206    HB2  GLU  24          1HB       GLU  24   4.291   3.285  -7.189
  207    HB3  GLU  24          2HB       GLU  24   4.693   1.987  -8.306
  208    HG2  GLU  24          1HG       GLU  24   2.765   0.706  -7.537
  209    HG3  GLU  24          2HG       GLU  24   2.382   1.962  -6.364
  210    H    LYS  25           H        LYS  25   5.929   3.627  -5.082
  211    HA   LYS  25           HA       LYS  25   8.672   3.443  -6.157
  212    HB2  LYS  25          1HB       LYS  25   7.012   5.904  -5.554
  213    HB3  LYS  25          2HB       LYS  25   8.710   5.939  -6.020
  214    HG2  LYS  25          1HG       LYS  25   8.158   4.910  -8.163
  215    HG3  LYS  25          2HG       LYS  25   6.458   4.829  -7.697
  216    HD2  LYS  25          1HD       LYS  25   6.361   7.269  -7.583
  217    HD3  LYS  25          2HD       LYS  25   8.077   7.366  -7.987
  218    HE2  LYS  25          1HE       LYS  25   6.688   7.807  -9.946
  219    HE3  LYS  25          2HE       LYS  25   7.641   6.340 -10.157
  220    HZ1  LYS  25          1HZ       LYS  25   4.783   6.400  -9.346
  221    HZ2  LYS  25          2HZ       LYS  25   5.702   5.019  -9.673
  222    HZ3  LYS  25          3HZ       LYS  25   5.335   6.105 -10.916
  223    H    CYS  26           H        CYS  26   7.533   2.351  -3.638
  224    HA   CYS  26           HA       CYS  26   8.442   3.728  -1.377
  225    HB2  CYS  26          2HB       CYS  26   8.666   1.453  -0.356
  226    HB3  CYS  26          1HB       CYS  26   7.128   1.685  -1.186
  227    H    GLN  27           H        GLN  27  10.082   1.487  -3.521
  228    HA   GLN  27           HA       GLN  27  12.701   2.282  -2.477
  229    HB2  GLN  27          1HB       GLN  27  12.311  -0.130  -2.651
  230    HB3  GLN  27          2HB       GLN  27  11.866   0.037  -4.344
  231    HG2  GLN  27          1HG       GLN  27  14.134   0.697  -4.904
  232    HG3  GLN  27          2HG       GLN  27  14.594   0.629  -3.202
  233   HE21  GLN  27          1HE2      GLN  27  15.434  -2.520  -5.120
  234   HE22  GLN  27          2HE2      GLN  27  15.583  -0.854  -5.544
  235    H    ALA  28           H        ALA  28  13.087   4.231  -3.393
  236    HA   ALA  28           HA       ALA  28  13.350   4.340  -6.298
  237    HB1  ALA  28          1HB       ALA  28  12.171   6.471  -6.453
  238    HB2  ALA  28          2HB       ALA  28  11.788   6.400  -4.732
  239    HB3  ALA  28          3HB       ALA  28  11.099   5.210  -5.838
  Start of MODEL    2
    1    H1   ALA   1          1H        ALA   1   6.373   3.898  10.948
    2    H2   ALA   1          2H        ALA   1   7.948   3.920  10.340
    3    H3   ALA   1          3H        ALA   1   7.592   3.021  11.723
    4    HA   ALA   1           HA       ALA   1   7.835   1.600   9.802
    5    HB1  ALA   1          1HB       ALA   1   4.992   1.749  10.808
    6    HB2  ALA   1          2HB       ALA   1   6.331   0.935  11.620
    7    HB3  ALA   1          3HB       ALA   1   5.760   0.348  10.056
    8    H    GLU   2           H        GLU   2   8.177   2.327   7.786
    9    HA   GLU   2           HA       GLU   2   5.840   2.873   6.104
   10    HB2  GLU   2          1HB       GLU   2   6.998   4.750   4.993
   11    HB3  GLU   2          2HB       GLU   2   6.671   5.087   6.684
   12    HG2  GLU   2          1HG       GLU   2   9.336   4.237   5.550
   13    HG3  GLU   2          2HG       GLU   2   8.877   5.882   5.987
   14    H    ASP   3           H        ASP   3   7.661   0.665   6.599
   15    HA   ASP   3           HA       ASP   3   9.603   0.324   4.595
   16    HB2  ASP   3          1HB       ASP   3   7.995  -1.978   5.699
   17    HB3  ASP   3          2HB       ASP   3   9.710  -1.919   5.308
   18    H    CYS   4           H        CYS   4   9.479  -0.896   2.592
   19    HA   CYS   4           HA       CYS   4   7.225  -0.455   0.998
   20    HB2  CYS   4          2HB       CYS   4   9.462  -2.473   0.729
   21    HB3  CYS   4          1HB       CYS   4   8.211  -2.274  -0.491
   22    H    GLU   5           H        GLU   5   8.161  -3.223   2.964
   23    HA   GLU   5           HA       GLU   5   5.978  -4.897   2.201
   24    HB2  GLU   5          1HB       GLU   5   7.534  -5.060   4.792
   25    HB3  GLU   5          2HB       GLU   5   6.699  -6.360   3.952
   26    HG2  GLU   5          1HG       GLU   5   9.230  -4.961   3.119
   27    HG3  GLU   5          2HG       GLU   5   9.040  -6.643   3.608
   28    H    ARG   6           H        ARG   6   6.501  -2.511   4.715
   29    HA   ARG   6           HA       ARG   6   4.194  -2.945   6.260
   30    HB2  ARG   6          1HB       ARG   6   6.214  -1.371   6.695
   31    HB3  ARG   6          2HB       ARG   6   5.347  -0.205   5.704
   32    HG2  ARG   6          1HG       ARG   6   4.830   0.319   7.937
   33    HG3  ARG   6          2HG       ARG   6   3.397  -0.489   7.295
   34    HD2  ARG   6          1HD       ARG   6   3.934  -1.309   9.532
   35    HD3  ARG   6          2HD       ARG   6   4.123  -2.591   8.333
   36    HE   ARG   6           HE       ARG   6   6.576  -1.196   8.817
   37   HH11  ARG   6          1HH1      ARG   6   4.507  -3.744  10.015
   38   HH12  ARG   6          2HH1      ARG   6   5.765  -4.517  10.920
   39   HH21  ARG   6          1HH2      ARG   6   8.237  -2.200   9.996
   40   HH22  ARG   6          2HH2      ARG   6   7.892  -3.634  10.912
   41    H    ILE   7           H        ILE   7   4.838  -0.962   3.425
   42    HA   ILE   7           HA       ILE   7   2.301   0.194   3.101
   43    HB   ILE   7           HB       ILE   7   4.368  -0.482   0.985
   44   HG12  ILE   7          1HG1      ILE   7   3.944   2.080   2.553
   45   HG13  ILE   7          2HG1      ILE   7   5.259   0.939   2.803
   46   HG21  ILE   7          1HG2      ILE   7   2.179  -0.008   0.011
   47   HG22  ILE   7          2HG2      ILE   7   3.338   1.268  -0.358
   48   HG23  ILE   7          3HG2      ILE   7   2.112   1.521   0.888
   49   HD11  ILE   7          1HD1      ILE   7   4.771   2.586   0.327
   50   HD12  ILE   7          2HD1      ILE   7   6.063   1.401   0.529
   51   HD13  ILE   7          3HD1      ILE   7   6.026   2.844   1.539
   52    H    ARG   8           H        ARG   8   3.733  -2.732   1.624
   53    HA   ARG   8           HA       ARG   8   1.663  -3.796   0.204
   54    HB2  ARG   8          1HB       ARG   8   3.453  -5.273   2.154
   55    HB3  ARG   8          2HB       ARG   8   2.463  -6.056   0.936
   56    HG2  ARG   8          1HG       ARG   8   4.586  -4.051   0.230
   57    HG3  ARG   8          2HG       ARG   8   4.939  -5.766   0.442
   58    HD2  ARG   8          1HD       ARG   8   3.313  -6.312  -1.312
   59    HD3  ARG   8          2HD       ARG   8   2.974  -4.592  -1.528
   60    HE   ARG   8           HE       ARG   8   5.697  -4.861  -1.819
   61   HH11  ARG   8          1HH1      ARG   8   2.871  -6.137  -3.471
   62   HH12  ARG   8          2HH1      ARG   8   3.694  -6.281  -4.995
   63   HH21  ARG   8          1HH2      ARG   8   6.752  -5.056  -3.798
   64   HH22  ARG   8          2HH2      ARG   8   5.892  -5.689  -5.176
   65    H    LYS   9           H        LYS   9   2.185  -4.293   3.702
   66    HA   LYS   9           HA       LYS   9  -0.171  -5.821   4.033
   67    HB2  LYS   9          1HB       LYS   9   1.532  -4.426   6.104
   68    HB3  LYS   9          2HB       LYS   9   0.265  -5.590   6.472
   69    HG2  LYS   9          1HG       LYS   9   2.766  -6.145   4.880
   70    HG3  LYS   9          2HG       LYS   9   2.483  -6.604   6.558
   71    HD2  LYS   9          1HD       LYS   9   0.667  -7.528   4.333
   72    HD3  LYS   9          2HD       LYS   9   2.146  -8.394   4.743
   73    HE2  LYS   9          1HE       LYS   9   0.342  -9.461   5.889
   74    HE3  LYS   9          2HE       LYS   9   1.297  -8.596   7.087
   75    HZ1  LYS   9          1HZ       LYS   9  -1.283  -7.688   5.926
   76    HZ2  LYS   9          2HZ       LYS   9  -0.359  -6.821   7.047
   77    HZ3  LYS   9          3HZ       LYS   9  -1.042  -8.300   7.486
   78    H    GLU  10           H        GLU  10   0.440  -2.353   4.448
   79    HA   GLU  10           HA       GLU  10  -2.053  -1.858   5.712
   80    HB2  GLU  10          1HB       GLU  10  -0.004  -0.306   5.649
   81    HB3  GLU  10          2HB       GLU  10  -0.563   0.167   4.045
   82    HG2  GLU  10          1HG       GLU  10  -2.797   0.658   5.137
   83    HG3  GLU  10          2HG       GLU  10  -1.960   0.501   6.675
   84    H    LEU  11           H        LEU  11  -0.947  -2.045   2.392
   85    HA   LEU  11           HA       LEU  11  -3.283  -0.888   1.219
   86    HB2  LEU  11          1HB       LEU  11  -0.921  -1.200   0.177
   87    HB3  LEU  11          2HB       LEU  11  -1.446  -2.836  -0.178
   88    HG   LEU  11           HG       LEU  11  -3.400  -1.821  -1.437
   89   HD11  LEU  11          1HD1      LEU  11  -1.768   0.699  -1.178
   90   HD12  LEU  11          2HD1      LEU  11  -3.299   0.394  -0.360
   91   HD13  LEU  11          3HD1      LEU  11  -3.242   0.493  -2.121
   92   HD21  LEU  11          1HD2      LEU  11  -2.083  -1.321  -3.429
   93   HD22  LEU  11          2HD2      LEU  11  -1.448  -2.738  -2.591
   94   HD23  LEU  11          3HD2      LEU  11  -0.628  -1.182  -2.444
   95    H    GLU  12           H        GLU  12  -2.206  -4.073   2.083
   96    HA   GLU  12           HA       GLU  12  -4.165  -5.719   1.025
   97    HB2  GLU  12          1HB       GLU  12  -2.203  -6.572   2.152
   98    HB3  GLU  12          2HB       GLU  12  -2.683  -5.818   3.662
   99    HG2  GLU  12          1HG       GLU  12  -4.721  -7.330   3.604
  100    HG3  GLU  12          2HG       GLU  12  -3.904  -8.202   2.307
  101    H    LYS  13           H        LYS  13  -4.175  -3.868   4.046
  102    HA   LYS  13           HA       LYS  13  -6.820  -4.769   4.789
  103    HB2  LYS  13          1HB       LYS  13  -4.888  -2.797   6.014
  104    HB3  LYS  13          2HB       LYS  13  -6.480  -3.105   6.686
  105    HG2  LYS  13          1HG       LYS  13  -4.456  -5.298   6.272
  106    HG3  LYS  13          2HG       LYS  13  -4.520  -4.323   7.738
  107    HD2  LYS  13          1HD       LYS  13  -5.855  -6.056   8.404
  108    HD3  LYS  13          2HD       LYS  13  -7.086  -5.032   7.667
  109    HE2  LYS  13          1HE       LYS  13  -7.506  -7.205   6.857
  110    HE3  LYS  13          2HE       LYS  13  -6.697  -6.372   5.531
  111    HZ1  LYS  13          1HZ       LYS  13  -5.834  -8.622   5.898
  112    HZ2  LYS  13          2HZ       LYS  13  -5.361  -8.195   7.461
  113    HZ3  LYS  13          3HZ       LYS  13  -4.634  -7.452   6.126
  114    H    ASN  14           H        ASN  14  -5.387  -1.906   3.350
  115    HA   ASN  14           HA       ASN  14  -7.990  -0.865   2.655
  116    HB2  ASN  14          1HB       ASN  14  -7.449   1.405   3.686
  117    HB3  ASN  14          2HB       ASN  14  -7.898   0.128   4.811
  118   HD21  ASN  14          1HD2      ASN  14  -4.167   1.757   4.920
  119   HD22  ASN  14          2HD2      ASN  14  -5.255   2.094   3.620
  120    HA   PRO  15           HA       PRO  15  -5.125   0.163  -0.673
  121    HB2  PRO  15          2HB       PRO  15  -6.991   0.531  -2.593
  122    HB3  PRO  15          1HB       PRO  15  -6.476  -1.076  -2.063
  123    HG2  PRO  15          2HG       PRO  15  -8.916   0.482  -1.301
  124    HG3  PRO  15          1HG       PRO  15  -8.764  -1.245  -1.676
  125    HD2  PRO  15          2HD       PRO  15  -8.883  -0.255   0.878
  126    HD3  PRO  15          1HD       PRO  15  -8.054  -1.767   0.451
  127    H    ASN  16           H        ASN  16  -4.765   2.112   0.728
  128    HA   ASN  16           HA       ASN  16  -6.207   4.523   0.135
  129    HB2  ASN  16          1HB       ASN  16  -3.549   4.000   1.486
  130    HB3  ASN  16          2HB       ASN  16  -4.181   5.625   1.242
  131   HD21  ASN  16          1HD2      ASN  16  -5.082   4.155   4.607
  132   HD22  ASN  16          2HD2      ASN  16  -3.602   4.132   3.711
  133    H    ASP  17           H        ASP  17  -5.569   6.230  -1.191
  134    HA   ASP  17           HA       ASP  17  -4.548   5.515  -3.684
  135    HB2  ASP  17          1HB       ASP  17  -4.771   8.278  -2.467
  136    HB3  ASP  17          2HB       ASP  17  -4.497   7.951  -4.174
  137    H    GLU  18           H        GLU  18  -2.975   7.506  -1.167
  138    HA   GLU  18           HA       GLU  18  -0.544   7.852  -2.536
  139    HB2  GLU  18          1HB       GLU  18  -1.270   9.205  -0.571
  140    HB3  GLU  18          2HB       GLU  18  -0.982   7.809   0.462
  141    HG2  GLU  18          1HG       GLU  18   1.398   7.845  -0.213
  142    HG3  GLU  18          2HG       GLU  18   1.081   9.305  -1.149
  143    H    ILE  19           H        ILE  19  -1.521   5.506  -0.076
  144    HA   ILE  19           HA       ILE  19   0.890   4.140   0.217
  145    HB   ILE  19           HB       ILE  19  -1.946   3.112   0.484
  146   HG12  ILE  19          1HG1      ILE  19  -1.433   4.997   1.960
  147   HG13  ILE  19          2HG1      ILE  19  -1.603   3.515   2.890
  148   HG21  ILE  19          1HG2      ILE  19   0.610   1.866   1.506
  149   HG22  ILE  19          2HG2      ILE  19  -0.423   1.224   0.228
  150   HG23  ILE  19          3HG2      ILE  19  -1.025   1.318   1.881
  151   HD11  ILE  19          1HD1      ILE  19   1.002   4.809   2.107
  152   HD12  ILE  19          2HD1      ILE  19   0.823   3.334   3.058
  153   HD13  ILE  19          3HD1      ILE  19   0.241   4.870   3.698
  154    H    LYS  20           H        LYS  20  -1.794   3.539  -2.023
  155    HA   LYS  20           HA       LYS  20  -0.730   1.229  -3.255
  156    HB2  LYS  20          1HB       LYS  20  -3.125   2.390  -3.339
  157    HB3  LYS  20          2HB       LYS  20  -2.467   3.162  -4.770
  158    HG2  LYS  20          1HG       LYS  20  -2.596   0.177  -4.362
  159    HG3  LYS  20          2HG       LYS  20  -3.824   1.120  -5.204
  160    HD2  LYS  20          1HD       LYS  20  -2.141   1.813  -6.863
  161    HD3  LYS  20          2HD       LYS  20  -0.921   0.857  -6.015
  162    HE2  LYS  20          1HE       LYS  20  -2.199  -1.179  -6.450
  163    HE3  LYS  20          2HE       LYS  20  -3.452  -0.235  -7.254
  164    HZ1  LYS  20          1HZ       LYS  20  -0.641  -0.558  -8.155
  165    HZ2  LYS  20          2HZ       LYS  20  -1.787   0.432  -8.905
  166    HZ3  LYS  20          3HZ       LYS  20  -2.014  -1.244  -8.870
  167    H    LYS  21           H        LYS  21  -0.648   4.654  -4.092
  168    HA   LYS  21           HA       LYS  21   0.696   4.419  -6.549
  169    HB2  LYS  21          1HB       LYS  21  -0.671   6.362  -5.679
  170    HB3  LYS  21          2HB       LYS  21   0.711   6.803  -4.688
  171    HG2  LYS  21          1HG       LYS  21   2.042   7.261  -6.632
  172    HG3  LYS  21          2HG       LYS  21   0.790   6.609  -7.698
  173    HD2  LYS  21          1HD       LYS  21  -0.756   8.382  -6.881
  174    HD3  LYS  21          2HD       LYS  21   0.574   9.067  -5.946
  175    HE2  LYS  21          1HE       LYS  21   1.807   9.542  -7.966
  176    HE3  LYS  21          2HE       LYS  21   0.594   8.715  -8.946
  177    HZ1  LYS  21          1HZ       LYS  21   0.112  11.153  -7.322
  178    HZ2  LYS  21          2HZ       LYS  21  -1.021  10.380  -8.311
  179    HZ3  LYS  21          3HZ       LYS  21   0.331  11.124  -8.997
  180    H    LYS  22           H        LYS  22   1.850   4.709  -3.242
  181    HA   LYS  22           HA       LYS  22   4.601   5.115  -4.027
  182    HB2  LYS  22          1HB       LYS  22   3.334   4.530  -1.341
  183    HB3  LYS  22          2HB       LYS  22   5.059   4.772  -1.566
  184    HG2  LYS  22          1HG       LYS  22   2.915   6.805  -2.198
  185    HG3  LYS  22          2HG       LYS  22   3.918   6.795  -0.746
  186    HD2  LYS  22          1HD       LYS  22   4.968   7.032  -3.575
  187    HD3  LYS  22          2HD       LYS  22   4.715   8.388  -2.475
  188    HE2  LYS  22          1HE       LYS  22   6.548   6.053  -1.911
  189    HE3  LYS  22          2HE       LYS  22   7.080   7.592  -2.585
  190    HZ1  LYS  22          1HZ       LYS  22   7.371   7.361  -0.136
  191    HZ2  LYS  22          2HZ       LYS  22   5.687   7.357   0.028
  192    HZ3  LYS  22          3HZ       LYS  22   6.475   8.713  -0.603
  193    H    LEU  23           H        LEU  23   2.558   2.401  -3.087
  194    HA   LEU  23           HA       LEU  23   4.659   0.533  -2.703
  195    HB2  LEU  23          1HB       LEU  23   2.272   0.265  -1.927
  196    HB3  LEU  23          2HB       LEU  23   1.835  -0.098  -3.585
  197    HG   LEU  23           HG       LEU  23   3.264  -2.090  -3.552
  198   HD11  LEU  23          1HD1      LEU  23   5.002  -1.294  -2.046
  199   HD12  LEU  23          2HD1      LEU  23   4.346  -2.831  -1.494
  200   HD13  LEU  23          3HD1      LEU  23   3.866  -1.335  -0.697
  201   HD21  LEU  23          1HD2      LEU  23   1.995  -3.438  -1.953
  202   HD22  LEU  23          2HD2      LEU  23   0.943  -2.330  -2.838
  203   HD23  LEU  23          3HD2      LEU  23   1.408  -1.966  -1.175
  204    H    GLU  24           H        GLU  24   3.008   1.744  -5.515
  205    HA   GLU  24           HA       GLU  24   3.672  -0.116  -7.455
  206    HB2  GLU  24          1HB       GLU  24   3.697   2.904  -7.677
  207    HB3  GLU  24          2HB       GLU  24   3.711   1.800  -9.047
  208    HG2  GLU  24          1HG       GLU  24   1.515   1.954  -6.986
  209    HG3  GLU  24          2HG       GLU  24   1.485   2.759  -8.552
  210    H    LYS  25           H        LYS  25   5.683   2.223  -5.830
  211    HA   LYS  25           HA       LYS  25   7.966   1.961  -7.534
  212    HB2  LYS  25          1HB       LYS  25   7.518   3.934  -6.076
  213    HB3  LYS  25          2HB       LYS  25   7.791   2.922  -4.665
  214    HG2  LYS  25          1HG       LYS  25  10.107   2.547  -5.394
  215    HG3  LYS  25          2HG       LYS  25   9.826   3.587  -6.791
  216    HD2  LYS  25          1HD       LYS  25   9.249   5.437  -5.190
  217    HD3  LYS  25          2HD       LYS  25   9.760   4.380  -3.874
  218    HE2  LYS  25          1HE       LYS  25  11.563   5.879  -4.452
  219    HE3  LYS  25          2HE       LYS  25  12.005   4.234  -4.912
  220    HZ1  LYS  25          1HZ       LYS  25  12.593   5.754  -6.658
  221    HZ2  LYS  25          2HZ       LYS  25  11.019   6.371  -6.728
  222    HZ3  LYS  25          3HZ       LYS  25  11.323   4.774  -7.197
  223    H    CYS  26           H        CYS  26   6.767   0.340  -4.678
  224    HA   CYS  26           HA       CYS  26   9.257  -1.141  -4.308
  225    HB2  CYS  26          2HB       CYS  26   6.711  -1.070  -2.674
  226    HB3  CYS  26          1HB       CYS  26   8.146  -2.001  -2.248
  227    H    GLN  27           H        GLN  27   6.809  -1.503  -6.371
  228    HA   GLN  27           HA       GLN  27   6.073  -4.231  -6.038
  229    HB2  GLN  27          1HB       GLN  27   6.076  -2.484  -8.514
  230    HB3  GLN  27          2HB       GLN  27   5.401  -4.105  -8.456
  231    HG2  GLN  27          1HG       GLN  27   4.466  -1.766  -6.805
  232    HG3  GLN  27          2HG       GLN  27   3.698  -2.341  -8.282
  233   HE21  GLN  27          1HE2      GLN  27   2.014  -3.681  -5.201
  234   HE22  GLN  27          2HE2      GLN  27   2.540  -2.099  -5.663
  235    H    ALA  28           H        ALA  28   7.993  -5.327  -5.614
  236    HA   ALA  28           HA       ALA  28   9.946  -5.533  -7.797
  237    HB1  ALA  28          1HB       ALA  28  10.114  -6.514  -4.941
  238    HB2  ALA  28          2HB       ALA  28  10.869  -5.056  -5.583
  239    HB3  ALA  28          3HB       ALA  28  11.390  -6.642  -6.151
  Start of MODEL    3
    1    H1   ALA   1          1H        ALA   1   7.920   4.202   7.393
    2    H2   ALA   1          2H        ALA   1   6.592   4.874   8.185
    3    H3   ALA   1          3H        ALA   1   7.151   5.556   6.740
    4    HA   ALA   1           HA       ALA   1   6.022   2.833   7.000
    5    HB1  ALA   1          1HB       ALA   1   4.755   5.351   5.906
    6    HB2  ALA   1          2HB       ALA   1   4.327   4.551   7.420
    7    HB3  ALA   1          3HB       ALA   1   4.036   3.738   5.881
    8    H    GLU   2           H        GLU   2   8.530   3.569   5.763
    9    HA   GLU   2           HA       GLU   2   7.963   3.704   2.896
   10    HB2  GLU   2          1HB       GLU   2  10.592   3.788   4.398
   11    HB3  GLU   2          2HB       GLU   2  10.415   3.973   2.660
   12    HG2  GLU   2          1HG       GLU   2  10.707   6.126   3.631
   13    HG3  GLU   2          2HG       GLU   2   9.049   6.002   3.054
   14    H    ASP   3           H        ASP   3   8.414   1.387   5.244
   15    HA   ASP   3           HA       ASP   3   9.950  -0.573   3.896
   16    HB2  ASP   3          1HB       ASP   3   7.744  -1.134   5.897
   17    HB3  ASP   3          2HB       ASP   3   9.173  -2.110   5.570
   18    H    CYS   4           H        CYS   4   9.400  -1.502   2.005
   19    HA   CYS   4           HA       CYS   4   6.999  -1.169   0.686
   20    HB2  CYS   4          2HB       CYS   4   9.042  -3.374   0.343
   21    HB3  CYS   4          1HB       CYS   4   7.747  -3.036  -0.799
   22    H    GLU   5           H        GLU   5   7.949  -3.796   2.847
   23    HA   GLU   5           HA       GLU   5   5.714  -5.465   2.410
   24    HB2  GLU   5          1HB       GLU   5   7.473  -5.144   4.858
   25    HB3  GLU   5          2HB       GLU   5   6.238  -6.385   4.704
   26    HG2  GLU   5          1HG       GLU   5   8.331  -7.383   4.192
   27    HG3  GLU   5          2HG       GLU   5   7.435  -7.233   2.683
   28    H    ARG   6           H        ARG   6   6.309  -2.928   4.830
   29    HA   ARG   6           HA       ARG   6   3.844  -3.043   6.148
   30    HB2  ARG   6          1HB       ARG   6   5.897  -0.889   5.763
   31    HB3  ARG   6          2HB       ARG   6   4.341  -0.456   6.455
   32    HG2  ARG   6          1HG       ARG   6   6.283  -2.481   7.560
   33    HG3  ARG   6          2HG       ARG   6   5.966  -0.867   8.200
   34    HD2  ARG   6          1HD       ARG   6   4.110  -3.242   8.139
   35    HD3  ARG   6          2HD       ARG   6   4.736  -2.387   9.548
   36    HE   ARG   6           HE       ARG   6   3.329  -0.496   8.143
   37   HH11  ARG   6          1HH1      ARG   6   2.584  -3.600   9.592
   38   HH12  ARG   6          2HH1      ARG   6   0.910  -3.219   9.854
   39   HH21  ARG   6          1HH2      ARG   6   1.117  -0.004   8.468
   40   HH22  ARG   6          2HH2      ARG   6   0.083  -1.180   9.221
   41    H    ILE   7           H        ILE   7   4.864  -1.021   3.421
   42    HA   ILE   7           HA       ILE   7   2.488   0.395   3.082
   43    HB   ILE   7           HB       ILE   7   4.327  -0.407   0.817
   44   HG12  ILE   7          1HG1      ILE   7   4.654   1.955   2.691
   45   HG13  ILE   7          2HG1      ILE   7   5.619   0.487   2.770
   46   HG21  ILE   7          1HG2      ILE   7   2.632   2.059   1.253
   47   HG22  ILE   7          2HG2      ILE   7   2.253   0.727   0.163
   48   HG23  ILE   7          3HG2      ILE   7   3.661   1.744  -0.144
   49   HD11  ILE   7          1HD1      ILE   7   6.494   0.926   0.544
   50   HD12  ILE   7          2HD1      ILE   7   6.804   2.274   1.639
   51   HD13  ILE   7          3HD1      ILE   7   5.513   2.388   0.443
   52    H    ARG   8           H        ARG   8   3.537  -2.697   1.683
   53    HA   ARG   8           HA       ARG   8   1.336  -3.163   0.015
   54    HB2  ARG   8          1HB       ARG   8   3.313  -4.983   1.355
   55    HB3  ARG   8          2HB       ARG   8   1.950  -5.660   0.473
   56    HG2  ARG   8          1HG       ARG   8   2.674  -4.448  -1.545
   57    HG3  ARG   8          2HG       ARG   8   4.069  -3.834  -0.658
   58    HD2  ARG   8          1HD       ARG   8   3.528  -6.781  -0.922
   59    HD3  ARG   8          2HD       ARG   8   4.400  -5.885  -2.164
   60    HE   ARG   8           HE       ARG   8   5.603  -5.348   0.306
   61   HH11  ARG   8          1HH1      ARG   8   5.107  -8.079  -1.826
   62   HH12  ARG   8          2HH1      ARG   8   6.627  -8.818  -1.452
   63   HH21  ARG   8          1HH2      ARG   8   7.641  -6.329   0.800
   64   HH22  ARG   8          2HH2      ARG   8   8.068  -7.824   0.032
   65    H    LYS   9           H        LYS   9   1.893  -4.360   3.326
   66    HA   LYS   9           HA       LYS   9  -0.698  -5.579   3.379
   67    HB2  LYS   9          1HB       LYS   9   1.343  -5.205   5.579
   68    HB3  LYS   9          2HB       LYS   9  -0.113  -6.191   5.708
   69    HG2  LYS   9          1HG       LYS   9   0.693  -7.557   3.800
   70    HG3  LYS   9          2HG       LYS   9   2.191  -6.626   3.808
   71    HD2  LYS   9          1HD       LYS   9   2.697  -7.414   6.058
   72    HD3  LYS   9          2HD       LYS   9   1.154  -8.273   6.127
   73    HE2  LYS   9          1HE       LYS   9   1.880  -9.635   4.180
   74    HE3  LYS   9          2HE       LYS   9   3.449  -8.836   4.244
   75    HZ1  LYS   9          1HZ       LYS   9   3.520 -10.961   5.352
   76    HZ2  LYS   9          2HZ       LYS   9   2.260 -10.514   6.385
   77    HZ3  LYS   9          3HZ       LYS   9   3.749  -9.723   6.480
   78    H    GLU  10           H        GLU  10   0.454  -2.455   4.137
   79    HA   GLU  10           HA       GLU  10  -1.724  -1.749   5.861
   80    HB2  GLU  10          1HB       GLU  10   0.506  -0.670   5.982
   81    HB3  GLU  10          2HB       GLU  10   0.260  -0.008   4.370
   82    HG2  GLU  10          1HG       GLU  10  -1.486   1.383   5.110
   83    HG3  GLU  10          2HG       GLU  10  -1.590   0.547   6.656
   84    H    LEU  11           H        LEU  11  -0.895  -1.500   2.443
   85    HA   LEU  11           HA       LEU  11  -3.191   0.034   1.676
   86    HB2  LEU  11          1HB       LEU  11  -1.097  -0.143   0.317
   87    HB3  LEU  11          2HB       LEU  11  -1.481  -1.821  -0.007
   88    HG   LEU  11           HG       LEU  11  -3.554  -1.071  -1.182
   89   HD11  LEU  11          1HD1      LEU  11  -3.842   1.077  -0.027
   90   HD12  LEU  11          2HD1      LEU  11  -3.849   1.253  -1.782
   91   HD13  LEU  11          3HD1      LEU  11  -2.415   1.698  -0.856
   92   HD21  LEU  11          1HD2      LEU  11  -2.431  -0.238  -3.182
   93   HD22  LEU  11          2HD2      LEU  11  -1.563  -1.587  -2.448
   94   HD23  LEU  11          3HD2      LEU  11  -0.975   0.061  -2.228
   95    H    GLU  12           H        GLU  12  -2.398  -3.312   2.071
   96    HA   GLU  12           HA       GLU  12  -4.445  -4.660   0.838
   97    HB2  GLU  12          1HB       GLU  12  -2.511  -5.706   1.923
   98    HB3  GLU  12          2HB       GLU  12  -3.130  -5.244   3.500
   99    HG2  GLU  12          1HG       GLU  12  -5.042  -6.719   3.205
  100    HG3  GLU  12          2HG       GLU  12  -4.463  -7.159   1.593
  101    H    LYS  13           H        LYS  13  -4.444  -3.598   4.267
  102    HA   LYS  13           HA       LYS  13  -7.285  -4.113   4.481
  103    HB2  LYS  13          1HB       LYS  13  -5.146  -3.298   6.402
  104    HB3  LYS  13          2HB       LYS  13  -6.811  -2.924   6.815
  105    HG2  LYS  13          1HG       LYS  13  -6.393  -4.976   7.844
  106    HG3  LYS  13          2HG       LYS  13  -7.319  -5.382   6.401
  107    HD2  LYS  13          1HD       LYS  13  -5.531  -6.961   6.616
  108    HD3  LYS  13          2HD       LYS  13  -5.160  -5.907   5.250
  109    HE2  LYS  13          1HE       LYS  13  -3.629  -4.619   6.620
  110    HE3  LYS  13          2HE       LYS  13  -4.061  -5.567   8.042
  111    HZ1  LYS  13          1HZ       LYS  13  -3.087  -7.500   7.072
  112    HZ2  LYS  13          2HZ       LYS  13  -1.956  -6.248   6.994
  113    HZ3  LYS  13          3HZ       LYS  13  -2.809  -6.704   5.608
  114    H    ASN  14           H        ASN  14  -5.188  -1.263   4.321
  115    HA   ASN  14           HA       ASN  14  -7.597   0.446   4.400
  116    HB2  ASN  14          1HB       ASN  14  -6.079   0.832   6.296
  117    HB3  ASN  14          2HB       ASN  14  -4.752   1.145   5.183
  118   HD21  ASN  14          1HD2      ASN  14  -5.722   4.424   4.438
  119   HD22  ASN  14          2HD2      ASN  14  -4.762   3.063   3.968
  120    HA   PRO  15           HA       PRO  15  -6.210   0.980   0.058
  121    HB2  PRO  15          2HB       PRO  15  -8.976   2.023  -0.184
  122    HB3  PRO  15          1HB       PRO  15  -8.163   0.768  -1.125
  123    HG2  PRO  15          2HG       PRO  15 -10.076   0.156   0.650
  124    HG3  PRO  15          1HG       PRO  15  -8.665  -0.896   0.414
  125    HD2  PRO  15          2HD       PRO  15  -9.198   1.098   2.596
  126    HD3  PRO  15          1HD       PRO  15  -8.515  -0.538   2.708
  127    H    ASN  16           H        ASN  16  -5.168   2.756  -0.552
  128    HA   ASN  16           HA       ASN  16  -6.290   5.392  -0.335
  129    HB2  ASN  16          1HB       ASN  16  -5.347   5.072   1.955
  130    HB3  ASN  16          2HB       ASN  16  -3.771   4.748   1.243
  131   HD21  ASN  16          1HD2      ASN  16  -4.223   8.341   2.371
  132   HD22  ASN  16          2HD2      ASN  16  -4.656   6.843   3.117
  133    H    ASP  17           H        ASP  17  -5.496   6.644  -1.960
  134    HA   ASP  17           HA       ASP  17  -4.078   5.386  -4.033
  135    HB2  ASP  17          1HB       ASP  17  -5.680   7.300  -4.316
  136    HB3  ASP  17          2HB       ASP  17  -4.437   8.374  -3.680
  137    H    GLU  18           H        GLU  18  -3.038   7.708  -1.577
  138    HA   GLU  18           HA       GLU  18  -0.441   8.219  -2.404
  139    HB2  GLU  18          1HB       GLU  18  -1.311   9.425  -0.537
  140    HB3  GLU  18          2HB       GLU  18  -1.650   7.951   0.354
  141    HG2  GLU  18          1HG       GLU  18   0.231   9.024   1.350
  142    HG3  GLU  18          2HG       GLU  18   0.795   7.560   0.551
  143    H    ILE  19           H        ILE  19  -1.606   5.593  -0.332
  144    HA   ILE  19           HA       ILE  19   0.906   4.383   0.100
  145    HB   ILE  19           HB       ILE  19  -1.827   3.076   0.224
  146   HG12  ILE  19          1HG1      ILE  19  -1.795   5.103   1.598
  147   HG13  ILE  19          2HG1      ILE  19  -1.796   3.677   2.630
  148   HG21  ILE  19          1HG2      ILE  19   0.002   1.467   0.270
  149   HG22  ILE  19          2HG2      ILE  19  -0.782   1.559   1.845
  150   HG23  ILE  19          3HG2      ILE  19   0.770   2.353   1.587
  151   HD11  ILE  19          1HD1      ILE  19  -0.291   5.370   3.481
  152   HD12  ILE  19          2HD1      ILE  19   0.596   5.378   1.957
  153   HD13  ILE  19          3HD1      ILE  19   0.611   3.942   2.980
  154    H    LYS  20           H        LYS  20  -1.691   3.759  -2.231
  155    HA   LYS  20           HA       LYS  20  -0.646   1.456  -3.437
  156    HB2  LYS  20          1HB       LYS  20  -2.952   2.713  -3.738
  157    HB3  LYS  20          2HB       LYS  20  -2.127   3.525  -5.059
  158    HG2  LYS  20          1HG       LYS  20  -2.474   0.535  -4.795
  159    HG3  LYS  20          2HG       LYS  20  -3.461   1.591  -5.803
  160    HD2  LYS  20          1HD       LYS  20  -1.525   2.158  -7.157
  161    HD3  LYS  20          2HD       LYS  20  -0.477   1.204  -6.104
  162    HE2  LYS  20          1HE       LYS  20  -1.008  -0.032  -8.135
  163    HE3  LYS  20          2HE       LYS  20  -1.699  -0.827  -6.722
  164    HZ1  LYS  20          1HZ       LYS  20  -3.260  -0.760  -8.566
  165    HZ2  LYS  20          2HZ       LYS  20  -3.176   0.927  -8.612
  166    HZ3  LYS  20          3HZ       LYS  20  -3.840   0.151  -7.264
  167    H    LYS  21           H        LYS  21  -0.275   4.899  -4.297
  168    HA   LYS  21           HA       LYS  21   1.449   4.511  -6.507
  169    HB2  LYS  21          1HB       LYS  21   1.126   6.931  -4.710
  170    HB3  LYS  21          2HB       LYS  21   1.953   6.928  -6.262
  171    HG2  LYS  21          1HG       LYS  21  -0.973   6.325  -5.827
  172    HG3  LYS  21          2HG       LYS  21  -0.308   7.846  -6.426
  173    HD2  LYS  21          1HD       LYS  21   0.569   6.722  -8.395
  174    HD3  LYS  21          2HD       LYS  21   0.014   5.162  -7.783
  175    HE2  LYS  21          1HE       LYS  21  -1.496   6.090  -9.497
  176    HE3  LYS  21          2HE       LYS  21  -2.294   5.876  -7.940
  177    HZ1  LYS  21          1HZ       LYS  21  -2.152   8.196  -7.515
  178    HZ2  LYS  21          2HZ       LYS  21  -2.786   8.014  -9.072
  179    HZ3  LYS  21          3HZ       LYS  21  -1.168   8.458  -8.866
  180    H    LYS  22           H        LYS  22   1.992   4.936  -3.071
  181    HA   LYS  22           HA       LYS  22   4.780   5.300  -3.129
  182    HB2  LYS  22          1HB       LYS  22   3.189   5.634  -1.164
  183    HB3  LYS  22          2HB       LYS  22   3.224   3.892  -0.944
  184    HG2  LYS  22          1HG       LYS  22   5.631   3.982  -0.530
  185    HG3  LYS  22          2HG       LYS  22   5.619   5.725  -0.798
  186    HD2  LYS  22          1HD       LYS  22   4.087   4.284   1.379
  187    HD3  LYS  22          2HD       LYS  22   5.620   5.126   1.605
  188    HE2  LYS  22          1HE       LYS  22   3.088   6.448   0.612
  189    HE3  LYS  22          2HE       LYS  22   3.605   6.441   2.297
  190    HZ1  LYS  22          1HZ       LYS  22   5.605   7.619   1.666
  191    HZ2  LYS  22          2HZ       LYS  22   4.241   8.482   1.160
  192    HZ3  LYS  22          3HZ       LYS  22   5.147   7.598   0.037
  193    H    LEU  23           H        LEU  23   2.734   2.422  -3.117
  194    HA   LEU  23           HA       LEU  23   4.823   0.498  -3.042
  195    HB2  LEU  23          1HB       LEU  23   1.957   0.449  -3.913
  196    HB3  LEU  23          2HB       LEU  23   2.981  -0.932  -4.240
  197    HG   LEU  23           HG       LEU  23   2.312   0.194  -1.518
  198   HD11  LEU  23          1HD1      LEU  23   1.628  -2.499  -2.685
  199   HD12  LEU  23          2HD1      LEU  23   0.539  -1.113  -2.732
  200   HD13  LEU  23          3HD1      LEU  23   1.039  -1.783  -1.185
  201   HD21  LEU  23          1HD2      LEU  23   4.612  -0.631  -1.566
  202   HD22  LEU  23          2HD2      LEU  23   4.064  -2.154  -2.264
  203   HD23  LEU  23          3HD2      LEU  23   3.580  -1.710  -0.627
  204    H    GLU  24           H        GLU  24   3.484   2.423  -5.604
  205    HA   GLU  24           HA       GLU  24   3.899   0.785  -7.803
  206    HB2  GLU  24          1HB       GLU  24   2.631   2.962  -7.733
  207    HB3  GLU  24          2HB       GLU  24   4.176   3.798  -7.799
  208    HG2  GLU  24          1HG       GLU  24   3.144   3.708  -9.990
  209    HG3  GLU  24          2HG       GLU  24   4.639   2.772  -9.972
  210    H    LYS  25           H        LYS  25   6.208   2.611  -5.953
  211    HA   LYS  25           HA       LYS  25   8.345   1.563  -7.682
  212    HB2  LYS  25          1HB       LYS  25   7.911   3.985  -8.200
  213    HB3  LYS  25          2HB       LYS  25   8.333   4.372  -6.537
  214    HG2  LYS  25          1HG       LYS  25  10.597   3.643  -6.871
  215    HG3  LYS  25          2HG       LYS  25  10.207   3.004  -8.469
  216    HD2  LYS  25          1HD       LYS  25   9.989   5.925  -7.712
  217    HD3  LYS  25          2HD       LYS  25  11.397   5.206  -8.499
  218    HE2  LYS  25          1HE       LYS  25   8.587   5.222  -9.618
  219    HE3  LYS  25          2HE       LYS  25   9.884   6.313 -10.106
  220    HZ1  LYS  25          1HZ       LYS  25   9.695   4.500 -11.660
  221    HZ2  LYS  25          2HZ       LYS  25   9.868   3.358 -10.427
  222    HZ3  LYS  25          3HZ       LYS  25  11.164   4.368 -10.832
  223    H    CYS  26           H        CYS  26   7.214   0.648  -5.164
  224    HA   CYS  26           HA       CYS  26   9.579   0.933  -3.420
  225    HB2  CYS  26          2HB       CYS  26   7.264   1.555  -2.495
  226    HB3  CYS  26          1HB       CYS  26   6.902  -0.165  -2.545
  227    H    GLN  27           H        GLN  27  10.918  -0.621  -4.112
  228    HA   GLN  27           HA       GLN  27  10.205  -3.354  -3.562
  229    HB2  GLN  27          1HB       GLN  27   9.405  -3.199  -5.864
  230    HB3  GLN  27          2HB       GLN  27  10.946  -2.526  -6.382
  231    HG2  GLN  27          1HG       GLN  27  12.072  -4.602  -5.924
  232    HG3  GLN  27          2HG       GLN  27  10.608  -5.283  -5.214
  233   HE21  GLN  27          1HE2      GLN  27  11.127  -5.190  -9.244
  234   HE22  GLN  27          2HE2      GLN  27  12.189  -4.337  -8.180
  235    H    ALA  28           H        ALA  28  12.619  -1.333  -5.220
  236    HA   ALA  28           HA       ALA  28  14.817  -2.862  -4.156
  237    HB1  ALA  28          1HB       ALA  28  14.999  -1.793  -6.343
  238    HB2  ALA  28          2HB       ALA  28  16.229  -1.175  -5.241
  239    HB3  ALA  28          3HB       ALA  28  14.798  -0.206  -5.598
  Start of MODEL    4
    1    H1   ALA   1          1H        ALA   1  16.803  -2.246   3.045
    2    H2   ALA   1          2H        ALA   1  17.620  -1.798   4.456
    3    H3   ALA   1          3H        ALA   1  17.129  -0.615   3.353
    4    HA   ALA   1           HA       ALA   1  15.366  -2.340   4.982
    5    HB1  ALA   1          1HB       ALA   1  14.731  -0.277   6.120
    6    HB2  ALA   1          2HB       ALA   1  15.857   0.639   5.116
    7    HB3  ALA   1          3HB       ALA   1  16.468  -0.556   6.259
    8    H    GLU   2           H        GLU   2  13.909  -2.997   3.488
    9    HA   GLU   2           HA       GLU   2  12.729  -0.975   1.703
   10    HB2  GLU   2          1HB       GLU   2  12.626  -4.002   1.551
   11    HB3  GLU   2          2HB       GLU   2  11.849  -2.906   0.417
   12    HG2  GLU   2          1HG       GLU   2  13.848  -3.671  -0.594
   13    HG3  GLU   2          2HG       GLU   2  14.111  -1.993  -0.135
   14    H    ASP   3           H        ASP   3  10.919  -0.113   2.424
   15    HA   ASP   3           HA       ASP   3   9.304  -1.525   4.413
   16    HB2  ASP   3          1HB       ASP   3   9.042   1.307   3.362
   17    HB3  ASP   3          2HB       ASP   3   8.129   0.617   4.697
   18    H    CYS   4           H        CYS   4   9.428  -1.936   1.338
   19    HA   CYS   4           HA       CYS   4   6.942  -1.258   0.241
   20    HB2  CYS   4          2HB       CYS   4   8.630  -3.661  -0.486
   21    HB3  CYS   4          1HB       CYS   4   7.474  -2.823  -1.518
   22    H    GLU   5           H        GLU   5   7.991  -4.066   2.107
   23    HA   GLU   5           HA       GLU   5   5.621  -5.582   1.884
   24    HB2  GLU   5          1HB       GLU   5   7.662  -5.475   4.125
   25    HB3  GLU   5          2HB       GLU   5   6.414  -6.706   3.964
   26    HG2  GLU   5          1HG       GLU   5   7.388  -7.501   1.910
   27    HG3  GLU   5          2HG       GLU   5   8.566  -6.188   1.920
   28    H    ARG   6           H        ARG   6   6.696  -3.158   4.215
   29    HA   ARG   6           HA       ARG   6   4.582  -3.176   6.018
   30    HB2  ARG   6          1HB       ARG   6   5.921  -0.633   5.063
   31    HB3  ARG   6          2HB       ARG   6   5.262  -0.966   6.655
   32    HG2  ARG   6          1HG       ARG   6   7.679  -2.328   5.490
   33    HG3  ARG   6          2HG       ARG   6   7.737  -0.922   6.549
   34    HD2  ARG   6          1HD       ARG   6   6.649  -2.230   8.323
   35    HD3  ARG   6          2HD       ARG   6   6.614  -3.636   7.255
   36    HE   ARG   6           HE       ARG   6   9.014  -3.686   7.315
   37   HH11  ARG   6          1HH1      ARG   6   7.490  -1.633   9.712
   38   HH12  ARG   6          2HH1      ARG   6   8.929  -1.474  10.669
   39   HH21  ARG   6          1HH2      ARG   6  10.896  -3.495   8.577
   40   HH22  ARG   6          2HH2      ARG   6  10.861  -2.563  10.038
   41    H    ILE   7           H        ILE   7   5.030  -1.018   3.233
   42    HA   ILE   7           HA       ILE   7   2.476   0.142   3.303
   43    HB   ILE   7           HB       ILE   7   4.331  -0.129   0.920
   44   HG12  ILE   7          1HG1      ILE   7   4.100   2.066   3.008
   45   HG13  ILE   7          2HG1      ILE   7   5.441   0.939   2.830
   46   HG21  ILE   7          1HG2      ILE   7   2.074   1.814   1.425
   47   HG22  ILE   7          2HG2      ILE   7   2.061   0.488   0.262
   48   HG23  ILE   7          3HG2      ILE   7   3.167   1.844   0.042
   49   HD11  ILE   7          1HD1      ILE   7   4.620   3.040   0.836
   50   HD12  ILE   7          2HD1      ILE   7   5.949   1.898   0.638
   51   HD13  ILE   7          3HD1      ILE   7   6.008   3.105   1.920
   52    H    ARG   8           H        ARG   8   3.677  -2.781   1.761
   53    HA   ARG   8           HA       ARG   8   1.549  -3.304   0.022
   54    HB2  ARG   8          1HB       ARG   8   3.687  -4.623   0.123
   55    HB3  ARG   8          2HB       ARG   8   3.104  -5.369   1.611
   56    HG2  ARG   8          1HG       ARG   8   1.086  -6.128   0.250
   57    HG3  ARG   8          2HG       ARG   8   2.008  -5.656  -1.176
   58    HD2  ARG   8          1HD       ARG   8   2.842  -7.687   0.894
   59    HD3  ARG   8          2HD       ARG   8   2.230  -8.045  -0.716
   60    HE   ARG   8           HE       ARG   8   4.785  -6.643  -0.219
   61   HH11  ARG   8          1HH1      ARG   8   2.832  -8.883  -2.066
   62   HH12  ARG   8          2HH1      ARG   8   4.160  -9.431  -3.038
   63   HH21  ARG   8          1HH2      ARG   8   6.537  -7.391  -1.502
   64   HH22  ARG   8          2HH2      ARG   8   6.250  -8.598  -2.716
   65    H    LYS   9           H        LYS   9   2.049  -4.306   3.402
   66    HA   LYS   9           HA       LYS   9  -0.525  -5.499   3.647
   67    HB2  LYS   9          1HB       LYS   9   1.660  -4.785   5.575
   68    HB3  LYS   9          2HB       LYS   9   0.085  -5.264   6.195
   69    HG2  LYS   9          1HG       LYS   9   1.721  -6.927   4.281
   70    HG3  LYS   9          2HG       LYS   9   1.742  -7.120   6.038
   71    HD2  LYS   9          1HD       LYS   9  -0.663  -7.606   6.019
   72    HD3  LYS   9          2HD       LYS   9  -0.703  -7.381   4.270
   73    HE2  LYS   9          1HE       LYS   9   0.981  -9.466   5.663
   74    HE3  LYS   9          2HE       LYS   9  -0.635  -9.773   5.029
   75    HZ1  LYS   9          1HZ       LYS   9   1.703  -8.880   3.426
   76    HZ2  LYS   9          2HZ       LYS   9   0.157  -9.192   2.822
   77    HZ3  LYS   9          3HZ       LYS   9   1.081 -10.450   3.469
   78    H    GLU  10           H        GLU  10   0.689  -2.257   4.216
   79    HA   GLU  10           HA       GLU  10  -1.606  -1.317   5.601
   80    HB2  GLU  10          1HB       GLU  10   0.469   0.157   3.964
   81    HB3  GLU  10          2HB       GLU  10  -0.800   0.962   4.879
   82    HG2  GLU  10          1HG       GLU  10   1.420  -0.757   5.978
   83    HG3  GLU  10          2HG       GLU  10   1.233   0.988   6.152
   84    H    LEU  11           H        LEU  11  -0.750  -1.581   2.206
   85    HA   LEU  11           HA       LEU  11  -3.068  -0.159   1.268
   86    HB2  LEU  11          1HB       LEU  11  -0.869  -0.318   0.052
   87    HB3  LEU  11          2HB       LEU  11  -1.214  -2.003  -0.267
   88    HG   LEU  11           HG       LEU  11  -1.637  -0.312  -2.149
   89   HD11  LEU  11          1HD1      LEU  11  -2.455  -2.621  -2.228
   90   HD12  LEU  11          2HD1      LEU  11  -3.583  -1.495  -2.981
   91   HD13  LEU  11          3HD1      LEU  11  -3.917  -2.129  -1.370
   92   HD21  LEU  11          1HD2      LEU  11  -2.764   1.384  -0.799
   93   HD22  LEU  11          2HD2      LEU  11  -4.090   0.265  -0.486
   94   HD23  LEU  11          3HD2      LEU  11  -3.786   0.836  -2.126
   95    H    GLU  12           H        GLU  12  -2.149  -3.472   1.864
   96    HA   GLU  12           HA       GLU  12  -4.235  -4.824   0.586
   97    HB2  GLU  12          1HB       GLU  12  -2.116  -5.792   1.627
   98    HB3  GLU  12          2HB       GLU  12  -2.908  -5.647   3.185
   99    HG2  GLU  12          1HG       GLU  12  -4.026  -7.261   0.904
  100    HG3  GLU  12          2HG       GLU  12  -2.953  -7.924   2.132
  101    H    LYS  13           H        LYS  13  -3.945  -3.915   4.022
  102    HA   LYS  13           HA       LYS  13  -6.664  -4.585   4.598
  103    HB2  LYS  13          1HB       LYS  13  -4.935  -4.793   6.301
  104    HB3  LYS  13          2HB       LYS  13  -4.598  -3.070   6.205
  105    HG2  LYS  13          1HG       LYS  13  -6.770  -2.541   7.120
  106    HG3  LYS  13          2HG       LYS  13  -7.230  -4.246   7.096
  107    HD2  LYS  13          1HD       LYS  13  -5.470  -4.752   8.724
  108    HD3  LYS  13          2HD       LYS  13  -4.976  -3.056   8.728
  109    HE2  LYS  13          1HE       LYS  13  -6.372  -3.585  10.668
  110    HE3  LYS  13          2HE       LYS  13  -7.152  -2.409   9.613
  111    HZ1  LYS  13          1HZ       LYS  13  -8.564  -4.116   8.739
  112    HZ2  LYS  13          2HZ       LYS  13  -8.661  -4.163  10.428
  113    HZ3  LYS  13          3HZ       LYS  13  -7.746  -5.319   9.599
  114    H    ASN  14           H        ASN  14  -4.904  -1.558   4.054
  115    HA   ASN  14           HA       ASN  14  -7.477  -0.107   4.092
  116    HB2  ASN  14          1HB       ASN  14  -6.043   0.623   5.922
  117    HB3  ASN  14          2HB       ASN  14  -4.706   0.897   4.808
  118   HD21  ASN  14          1HD2      ASN  14  -5.826   4.030   3.734
  119   HD22  ASN  14          2HD2      ASN  14  -4.742   2.705   3.470
  120    HA   PRO  15           HA       PRO  15  -5.968   0.112  -0.201
  121    HB2  PRO  15          2HB       PRO  15  -8.357  -0.037  -1.425
  122    HB3  PRO  15          1HB       PRO  15  -7.583  -1.460  -0.717
  123    HG2  PRO  15          2HG       PRO  15  -9.800   0.231   0.373
  124    HG3  PRO  15          1HG       PRO  15  -9.610  -1.532   0.413
  125    HD2  PRO  15          2HD       PRO  15  -9.009   0.160   2.518
  126    HD3  PRO  15          1HD       PRO  15  -8.321  -1.461   2.302
  127    H    ASN  16           H        ASN  16  -5.214   2.196  -0.293
  128    HA   ASN  16           HA       ASN  16  -7.136   4.162  -1.342
  129    HB2  ASN  16          1HB       ASN  16  -4.954   4.689   0.695
  130    HB3  ASN  16          2HB       ASN  16  -5.644   5.970  -0.296
  131   HD21  ASN  16          1HD2      ASN  16  -8.639   6.187   1.499
  132   HD22  ASN  16          2HD2      ASN  16  -7.803   6.580   0.037
  133    H    ASP  17           H        ASP  17  -6.411   5.307  -3.093
  134    HA   ASP  17           HA       ASP  17  -4.514   4.080  -4.734
  135    HB2  ASP  17          1HB       ASP  17  -5.708   6.857  -4.870
  136    HB3  ASP  17          2HB       ASP  17  -4.684   6.179  -6.133
  137    H    GLU  18           H        GLU  18  -4.209   6.803  -2.526
  138    HA   GLU  18           HA       GLU  18  -1.664   7.698  -3.246
  139    HB2  GLU  18          1HB       GLU  18  -3.099   8.895  -1.658
  140    HB3  GLU  18          2HB       GLU  18  -2.912   7.594  -0.489
  141    HG2  GLU  18          1HG       GLU  18  -0.534   8.069  -0.304
  142    HG3  GLU  18          2HG       GLU  18  -0.673   9.328  -1.530
  143    H    ILE  19           H        ILE  19  -2.522   5.400  -0.656
  144    HA   ILE  19           HA       ILE  19   0.075   4.659   0.045
  145    HB   ILE  19           HB       ILE  19  -2.404   2.918   0.151
  146   HG12  ILE  19          1HG1      ILE  19  -2.773   5.070   1.276
  147   HG13  ILE  19          2HG1      ILE  19  -2.677   3.764   2.451
  148   HG21  ILE  19          1HG2      ILE  19   0.176   2.762   1.720
  149   HG22  ILE  19          2HG2      ILE  19  -0.373   1.625   0.489
  150   HG23  ILE  19          3HG2      ILE  19  -1.258   1.775   2.007
  151   HD11  ILE  19          1HD1      ILE  19  -0.459   5.692   1.789
  152   HD12  ILE  19          2HD1      ILE  19  -0.394   4.404   2.993
  153   HD13  ILE  19          3HD1      ILE  19  -1.505   5.757   3.209
  154    H    LYS  20           H        LYS  20  -2.098   3.419  -2.413
  155    HA   LYS  20           HA       LYS  20  -0.666   1.168  -3.235
  156    HB2  LYS  20          1HB       LYS  20  -3.052   2.024  -3.850
  157    HB3  LYS  20          2HB       LYS  20  -2.241   2.895  -5.139
  158    HG2  LYS  20          1HG       LYS  20  -2.076  -0.093  -4.758
  159    HG3  LYS  20          2HG       LYS  20  -3.247   0.710  -5.802
  160    HD2  LYS  20          1HD       LYS  20  -1.310   1.723  -7.045
  161    HD3  LYS  20          2HD       LYS  20  -0.239   0.694  -6.091
  162    HE2  LYS  20          1HE       LYS  20  -0.721  -0.299  -8.273
  163    HE3  LYS  20          2HE       LYS  20  -1.358  -1.296  -6.963
  164    HZ1  LYS  20          1HZ       LYS  20  -3.547  -0.437  -7.372
  165    HZ2  LYS  20          2HZ       LYS  20  -2.919  -1.027  -8.826
  166    HZ3  LYS  20          3HZ       LYS  20  -2.966   0.640  -8.540
  167    H    LYS  21           H        LYS  21  -0.519   4.541  -4.415
  168    HA   LYS  21           HA       LYS  21   1.589   3.882  -6.272
  169    HB2  LYS  21          1HB       LYS  21   1.554   6.243  -6.889
  170    HB3  LYS  21          2HB       LYS  21  -0.061   5.563  -6.886
  171    HG2  LYS  21          1HG       LYS  21  -0.507   7.535  -5.859
  172    HG3  LYS  21          2HG       LYS  21  -0.096   6.584  -4.434
  173    HD2  LYS  21          1HD       LYS  21   1.001   8.768  -4.374
  174    HD3  LYS  21          2HD       LYS  21   2.198   7.477  -4.504
  175    HE2  LYS  21          1HE       LYS  21   2.722   9.375  -5.986
  176    HE3  LYS  21          2HE       LYS  21   2.424   7.893  -6.892
  177    HZ1  LYS  21          1HZ       LYS  21   1.330   9.749  -7.934
  178    HZ2  LYS  21          2HZ       LYS  21   0.507  10.126  -6.512
  179    HZ3  LYS  21          3HZ       LYS  21   0.163   8.689  -7.327
  180    H    LYS  22           H        LYS  22   1.395   4.892  -2.999
  181    HA   LYS  22           HA       LYS  22   4.085   5.858  -2.780
  182    HB2  LYS  22          1HB       LYS  22   2.122   4.844  -0.706
  183    HB3  LYS  22          2HB       LYS  22   3.732   5.426  -0.302
  184    HG2  LYS  22          1HG       LYS  22   1.588   7.056  -1.667
  185    HG3  LYS  22          2HG       LYS  22   1.988   7.127   0.050
  186    HD2  LYS  22          1HD       LYS  22   3.922   7.745  -2.192
  187    HD3  LYS  22          2HD       LYS  22   3.015   8.958  -1.289
  188    HE2  LYS  22          1HE       LYS  22   4.967   6.994  -0.080
  189    HE3  LYS  22          2HE       LYS  22   5.333   8.673  -0.468
  190    HZ1  LYS  22          1HZ       LYS  22   4.793   8.381   1.872
  191    HZ2  LYS  22          2HZ       LYS  22   3.275   7.767   1.471
  192    HZ3  LYS  22          3HZ       LYS  22   3.653   9.375   1.118
  193    H    LEU  23           H        LEU  23   2.496   2.753  -2.671
  194    HA   LEU  23           HA       LEU  23   4.649   1.194  -1.735
  195    HB2  LEU  23          1HB       LEU  23   2.159   0.574  -2.203
  196    HB3  LEU  23          2HB       LEU  23   2.706   0.247  -3.834
  197    HG   LEU  23           HG       LEU  23   3.832  -1.131  -1.383
  198   HD11  LEU  23          1HD1      LEU  23   2.454  -3.053  -2.015
  199   HD12  LEU  23          2HD1      LEU  23   1.703  -2.103  -3.298
  200   HD13  LEU  23          3HD1      LEU  23   1.459  -1.656  -1.608
  201   HD21  LEU  23          1HD2      LEU  23   5.342  -1.157  -3.300
  202   HD22  LEU  23          2HD2      LEU  23   4.052  -1.777  -4.331
  203   HD23  LEU  23          3HD2      LEU  23   4.681  -2.767  -3.012
  204    H    GLU  24           H        GLU  24   3.786   2.435  -4.918
  205    HA   GLU  24           HA       GLU  24   5.715   1.143  -6.484
  206    HB2  GLU  24          1HB       GLU  24   3.833   2.437  -7.411
  207    HB3  GLU  24          2HB       GLU  24   4.551   3.924  -6.812
  208    HG2  GLU  24          1HG       GLU  24   4.961   3.709  -9.176
  209    HG3  GLU  24          2HG       GLU  24   6.484   3.572  -8.294
  210    H    LYS  25           H        LYS  25   5.928   3.891  -4.348
  211    HA   LYS  25           HA       LYS  25   8.799   4.193  -4.986
  212    HB2  LYS  25          1HB       LYS  25   6.864   6.229  -3.845
  213    HB3  LYS  25          2HB       LYS  25   8.582   6.499  -4.112
  214    HG2  LYS  25          1HG       LYS  25   8.257   6.158  -6.525
  215    HG3  LYS  25          2HG       LYS  25   6.533   5.915  -6.248
  216    HD2  LYS  25          1HD       LYS  25   6.982   8.187  -7.020
  217    HD3  LYS  25          2HD       LYS  25   6.349   8.200  -5.373
  218    HE2  LYS  25          1HE       LYS  25   8.234   9.773  -5.702
  219    HE3  LYS  25          2HE       LYS  25   8.566   8.549  -4.475
  220    HZ1  LYS  25          1HZ       LYS  25   9.898   7.339  -6.047
  221    HZ2  LYS  25          2HZ       LYS  25  10.442   8.937  -5.990
  222    HZ3  LYS  25          3HZ       LYS  25   9.502   8.413  -7.291
  223    H    CYS  26           H        CYS  26   7.649   2.233  -3.238
  224    HA   CYS  26           HA       CYS  26   7.596   2.895  -0.537
  225    HB2  CYS  26          2HB       CYS  26   8.016   0.444  -0.180
  226    HB3  CYS  26          1HB       CYS  26   6.702   0.802  -1.296
  227    H    GLN  27           H        GLN  27  10.287   1.391  -2.340
  228    HA   GLN  27           HA       GLN  27  12.070   1.508  -0.133
  229    HB2  GLN  27          1HB       GLN  27  12.253  -0.163  -1.976
  230    HB3  GLN  27          2HB       GLN  27  12.742   1.133  -3.060
  231    HG2  GLN  27          1HG       GLN  27  14.706   1.558  -1.633
  232    HG3  GLN  27          2HG       GLN  27  14.229   0.207  -0.605
  233   HE21  GLN  27          1HE2      GLN  27  16.448  -1.673  -2.534
  234   HE22  GLN  27          2HE2      GLN  27  16.105  -0.939  -1.005
  235    H    ALA  28           H        ALA  28  12.110   3.600   0.563
  236    HA   ALA  28           HA       ALA  28  13.127   5.687  -1.216
  237    HB1  ALA  28          1HB       ALA  28  12.574   7.229   0.600
  238    HB2  ALA  28          2HB       ALA  28  12.120   5.871   1.629
  239    HB3  ALA  28          3HB       ALA  28  11.187   6.227   0.175
  Start of MODEL    5
    1    H1   ALA   1          1H        ALA   1  15.390  -1.111   0.564
    2    H2   ALA   1          2H        ALA   1  15.855  -1.898   1.982
    3    H3   ALA   1          3H        ALA   1  16.158  -0.246   1.797
    4    HA   ALA   1           HA       ALA   1  14.305  -0.611   3.267
    5    HB1  ALA   1          1HB       ALA   1  13.480   0.566   0.610
    6    HB2  ALA   1          2HB       ALA   1  14.370   1.409   1.882
    7    HB3  ALA   1          3HB       ALA   1  12.713   0.873   2.171
    8    H    GLU   2           H        GLU   2  13.326  -2.480   3.802
    9    HA   GLU   2           HA       GLU   2  11.805  -4.029   1.857
   10    HB2  GLU   2          1HB       GLU   2  12.417  -4.348   4.786
   11    HB3  GLU   2          2HB       GLU   2  11.221  -5.360   3.987
   12    HG2  GLU   2          1HG       GLU   2  13.496  -6.320   4.212
   13    HG3  GLU   2          2HG       GLU   2  12.838  -6.342   2.584
   14    H    ASP   3           H        ASP   3  11.303  -1.301   3.439
   15    HA   ASP   3           HA       ASP   3   8.814  -1.166   4.512
   16    HB2  ASP   3          1HB       ASP   3  10.109   0.830   4.281
   17    HB3  ASP   3          2HB       ASP   3  10.128   0.692   2.533
   18    H    CYS   4           H        CYS   4   9.571  -1.874   1.157
   19    HA   CYS   4           HA       CYS   4   7.158  -1.606  -0.123
   20    HB2  CYS   4          2HB       CYS   4   8.984  -4.018  -0.341
   21    HB3  CYS   4          1HB       CYS   4   7.805  -3.502  -1.539
   22    H    GLU   5           H        GLU   5   8.201  -4.264   1.975
   23    HA   GLU   5           HA       GLU   5   5.948  -5.888   2.016
   24    HB2  GLU   5          1HB       GLU   5   8.168  -6.329   3.118
   25    HB3  GLU   5          2HB       GLU   5   7.734  -5.180   4.371
   26    HG2  GLU   5          1HG       GLU   5   7.298  -7.267   5.316
   27    HG3  GLU   5          2HG       GLU   5   5.714  -6.680   4.816
   28    H    ARG   6           H        ARG   6   6.774  -3.181   4.139
   29    HA   ARG   6           HA       ARG   6   4.564  -3.097   5.795
   30    HB2  ARG   6          1HB       ARG   6   6.648  -1.728   6.058
   31    HB3  ARG   6          2HB       ARG   6   6.125  -0.735   4.709
   32    HG2  ARG   6          1HG       ARG   6   4.179   0.014   5.964
   33    HG3  ARG   6          2HG       ARG   6   4.637  -1.018   7.320
   34    HD2  ARG   6          1HD       ARG   6   6.672   0.254   7.650
   35    HD3  ARG   6          2HD       ARG   6   6.332   1.227   6.219
   36    HE   ARG   6           HE       ARG   6   4.155   1.668   7.735
   37   HH11  ARG   6          1HH1      ARG   6   7.569   1.800   8.470
   38   HH12  ARG   6          2HH1      ARG   6   7.404   3.061   9.650
   39   HH21  ARG   6          1HH2      ARG   6   3.933   3.349   9.290
   40   HH22  ARG   6          2HH2      ARG   6   5.342   3.962  10.087
   41    H    ILE   7           H        ILE   7   5.101  -1.347   2.758
   42    HA   ILE   7           HA       ILE   7   2.641   0.021   2.745
   43    HB   ILE   7           HB       ILE   7   4.174  -0.718   0.248
   44   HG12  ILE   7          1HG1      ILE   7   4.743   1.673   2.019
   45   HG13  ILE   7          2HG1      ILE   7   5.705   0.199   2.038
   46   HG21  ILE   7          1HG2      ILE   7   2.478   1.674   0.992
   47   HG22  ILE   7          2HG2      ILE   7   2.020   0.357  -0.088
   48   HG23  ILE   7          3HG2      ILE   7   3.323   1.453  -0.541
   49   HD11  ILE   7          1HD1      ILE   7   6.277   0.532  -0.303
   50   HD12  ILE   7          2HD1      ILE   7   6.738   1.923   0.680
   51   HD13  ILE   7          3HD1      ILE   7   5.303   2.001  -0.335
   52    H    ARG   8           H        ARG   8   3.677  -3.054   1.337
   53    HA   ARG   8           HA       ARG   8   1.417  -3.518  -0.268
   54    HB2  ARG   8          1HB       ARG   8   3.612  -4.795  -0.317
   55    HB3  ARG   8          2HB       ARG   8   3.054  -5.659   1.107
   56    HG2  ARG   8          1HG       ARG   8   1.034  -6.352  -0.245
   57    HG3  ARG   8          2HG       ARG   8   1.857  -5.690  -1.659
   58    HD2  ARG   8          1HD       ARG   8   2.307  -8.022  -1.629
   59    HD3  ARG   8          2HD       ARG   8   3.790  -7.216  -1.111
   60    HE   ARG   8           HE       ARG   8   1.888  -8.591   0.686
   61   HH11  ARG   8          1HH1      ARG   8   5.122  -7.439  -0.036
   62   HH12  ARG   8          2HH1      ARG   8   5.839  -8.226   1.337
   63   HH21  ARG   8          1HH2      ARG   8   2.838  -9.653   2.464
   64   HH22  ARG   8          2HH2      ARG   8   4.542  -9.475   2.757
   65    H    LYS   9           H        LYS   9   2.174  -4.501   3.058
   66    HA   LYS   9           HA       LYS   9  -0.302  -5.849   3.480
   67    HB2  LYS   9          1HB       LYS   9   1.802  -4.825   5.391
   68    HB3  LYS   9          2HB       LYS   9   0.387  -5.728   5.917
   69    HG2  LYS   9          1HG       LYS   9   2.452  -6.754   3.966
   70    HG3  LYS   9          2HG       LYS   9   2.422  -7.120   5.692
   71    HD2  LYS   9          1HD       LYS   9   0.207  -7.773   3.736
   72    HD3  LYS   9          2HD       LYS   9   1.416  -8.918   4.321
   73    HE2  LYS   9          1HE       LYS   9   0.606  -8.669   6.594
   74    HE3  LYS   9          2HE       LYS   9  -0.533  -7.424   6.084
   75    HZ1  LYS   9          1HZ       LYS   9  -0.581 -10.248   5.167
   76    HZ2  LYS   9          2HZ       LYS   9  -1.707  -9.051   4.775
   77    HZ3  LYS   9          3HZ       LYS   9  -1.576  -9.600   6.365
   78    H    GLU  10           H        GLU  10   0.767  -2.552   3.926
   79    HA   GLU  10           HA       GLU  10  -1.482  -1.721   5.458
   80    HB2  GLU  10          1HB       GLU  10   0.803  -0.607   5.328
   81    HB3  GLU  10          2HB       GLU  10   0.321   0.007   3.750
   82    HG2  GLU  10          1HG       GLU  10  -1.564   1.159   4.783
   83    HG3  GLU  10          2HG       GLU  10  -1.073   0.543   6.357
   84    H    LEU  11           H        LEU  11  -0.692  -1.927   2.057
   85    HA   LEU  11           HA       LEU  11  -2.929  -0.378   1.115
   86    HB2  LEU  11          1HB       LEU  11  -0.819  -0.569  -0.161
   87    HB3  LEU  11          2HB       LEU  11  -1.089  -2.290  -0.352
   88    HG   LEU  11           HG       LEU  11  -3.133  -1.788  -1.685
   89   HD11  LEU  11          1HD1      LEU  11  -2.211   1.074  -1.446
   90   HD12  LEU  11          2HD1      LEU  11  -3.680   0.389  -0.748
   91   HD13  LEU  11          3HD1      LEU  11  -3.500   0.491  -2.499
   92   HD21  LEU  11          1HD2      LEU  11  -1.961  -1.019  -3.695
   93   HD22  LEU  11          2HD2      LEU  11  -1.024  -2.224  -2.815
   94   HD23  LEU  11          3HD2      LEU  11  -0.593  -0.517  -2.703
   95    H    GLU  12           H        GLU  12  -2.168  -3.698   1.719
   96    HA   GLU  12           HA       GLU  12  -4.221  -5.126   0.598
   97    HB2  GLU  12          1HB       GLU  12  -2.407  -6.156   1.834
   98    HB3  GLU  12          2HB       GLU  12  -2.909  -5.360   3.314
   99    HG2  GLU  12          1HG       GLU  12  -5.001  -6.695   3.261
  100    HG3  GLU  12          2HG       GLU  12  -4.360  -7.562   1.863
  101    H    LYS  13           H        LYS  13  -4.194  -3.532   3.761
  102    HA   LYS  13           HA       LYS  13  -7.024  -3.955   4.178
  103    HB2  LYS  13          1HB       LYS  13  -4.968  -2.433   5.796
  104    HB3  LYS  13          2HB       LYS  13  -6.608  -2.802   6.322
  105    HG2  LYS  13          1HG       LYS  13  -6.145  -5.154   6.349
  106    HG3  LYS  13          2HG       LYS  13  -4.568  -4.902   5.597
  107    HD2  LYS  13          1HD       LYS  13  -3.786  -3.716   7.576
  108    HD3  LYS  13          2HD       LYS  13  -5.379  -3.865   8.321
  109    HE2  LYS  13          1HE       LYS  13  -3.772  -5.524   9.188
  110    HE3  LYS  13          2HE       LYS  13  -5.156  -6.277   8.401
  111    HZ1  LYS  13          1HZ       LYS  13  -3.790  -6.621   6.423
  112    HZ2  LYS  13          2HZ       LYS  13  -3.096  -7.354   7.777
  113    HZ3  LYS  13          3HZ       LYS  13  -2.466  -5.900   7.194
  114    H    ASN  14           H        ASN  14  -4.882  -1.279   3.359
  115    HA   ASN  14           HA       ASN  14  -7.210   0.529   3.138
  116    HB2  ASN  14          1HB       ASN  14  -4.299   1.257   3.589
  117    HB3  ASN  14          2HB       ASN  14  -5.637   2.391   3.474
  118   HD21  ASN  14          1HD2      ASN  14  -4.670   1.571   7.030
  119   HD22  ASN  14          2HD2      ASN  14  -3.727   1.924   5.625
  120    HA   PRO  15           HA       PRO  15  -5.846  -0.074  -1.190
  121    HB2  PRO  15          2HB       PRO  15  -8.253   0.180  -2.343
  122    HB3  PRO  15          1HB       PRO  15  -7.815  -1.279  -1.446
  123    HG2  PRO  15          2HG       PRO  15  -9.456   1.070  -0.549
  124    HG3  PRO  15          1HG       PRO  15  -9.779  -0.662  -0.340
  125    HD2  PRO  15          2HD       PRO  15  -8.679   0.906   1.613
  126    HD3  PRO  15          1HD       PRO  15  -8.374  -0.837   1.468
  127    H    ASN  16           H        ASN  16  -5.337   2.398   0.062
  128    HA   ASN  16           HA       ASN  16  -6.660   4.505  -1.438
  129    HB2  ASN  16          1HB       ASN  16  -4.349   4.677   0.521
  130    HB3  ASN  16          2HB       ASN  16  -5.279   6.035  -0.107
  131   HD21  ASN  16          1HD2      ASN  16  -7.956   5.618   2.106
  132   HD22  ASN  16          2HD2      ASN  16  -7.356   6.405   0.687
  133    H    ASP  17           H        ASP  17  -5.771   5.662  -3.110
  134    HA   ASP  17           HA       ASP  17  -3.812   4.404  -4.704
  135    HB2  ASP  17          1HB       ASP  17  -5.515   5.843  -5.705
  136    HB3  ASP  17          2HB       ASP  17  -4.876   7.241  -4.844
  137    H    GLU  18           H        GLU  18  -3.612   6.850  -2.251
  138    HA   GLU  18           HA       GLU  18  -1.030   7.836  -2.736
  139    HB2  GLU  18          1HB       GLU  18  -2.337   7.408  -0.032
  140    HB3  GLU  18          2HB       GLU  18  -1.047   8.544  -0.410
  141    HG2  GLU  18          1HG       GLU  18  -3.872   8.660  -1.463
  142    HG3  GLU  18          2HG       GLU  18  -3.191   9.673  -0.191
  143    H    ILE  19           H        ILE  19  -2.118   5.204  -0.622
  144    HA   ILE  19           HA       ILE  19   0.460   4.324   0.137
  145    HB   ILE  19           HB       ILE  19  -2.045   2.623   0.015
  146   HG12  ILE  19          1HG1      ILE  19  -2.660   4.656   1.165
  147   HG13  ILE  19          2HG1      ILE  19  -2.455   3.387   2.367
  148   HG21  ILE  19          1HG2      ILE  19   0.385   2.502   1.810
  149   HG22  ILE  19          2HG2      ILE  19  -0.001   1.390   0.496
  150   HG23  ILE  19          3HG2      ILE  19  -1.031   1.452   1.923
  151   HD11  ILE  19          1HD1      ILE  19  -0.248   4.281   2.925
  152   HD12  ILE  19          2HD1      ILE  19  -1.520   5.482   3.139
  153   HD13  ILE  19          3HD1      ILE  19  -0.466   5.558   1.726
  154    H    LYS  20           H        LYS  20  -1.736   3.520  -2.466
  155    HA   LYS  20           HA       LYS  20  -0.405   1.244  -3.453
  156    HB2  LYS  20          1HB       LYS  20  -2.748   1.816  -3.968
  157    HB3  LYS  20          2HB       LYS  20  -2.204   3.193  -4.913
  158    HG2  LYS  20          1HG       LYS  20  -1.214   1.779  -6.566
  159    HG3  LYS  20          2HG       LYS  20  -1.442   0.348  -5.559
  160    HD2  LYS  20          1HD       LYS  20  -3.106   0.464  -7.362
  161    HD3  LYS  20          2HD       LYS  20  -3.866   0.554  -5.771
  162    HE2  LYS  20          1HE       LYS  20  -4.887   2.153  -7.282
  163    HE3  LYS  20          2HE       LYS  20  -4.018   3.003  -6.004
  164    HZ1  LYS  20          1HZ       LYS  20  -3.032   2.548  -8.772
  165    HZ2  LYS  20          2HZ       LYS  20  -2.190   3.360  -7.549
  166    HZ3  LYS  20          3HZ       LYS  20  -3.626   4.009  -8.154
  167    H    LYS  21           H        LYS  21   0.030   4.710  -4.092
  168    HA   LYS  21           HA       LYS  21   1.919   4.184  -6.222
  169    HB2  LYS  21          1HB       LYS  21   2.214   6.556  -6.410
  170    HB3  LYS  21          2HB       LYS  21   0.499   6.223  -6.254
  171    HG2  LYS  21          1HG       LYS  21   0.458   7.019  -4.017
  172    HG3  LYS  21          2HG       LYS  21   2.219   7.076  -3.937
  173    HD2  LYS  21          1HD       LYS  21   1.318   9.318  -4.226
  174    HD3  LYS  21          2HD       LYS  21   2.232   8.840  -5.654
  175    HE2  LYS  21          1HE       LYS  21   0.204   9.958  -6.336
  176    HE3  LYS  21          2HE       LYS  21   0.106   8.255  -6.778
  177    HZ1  LYS  21          1HZ       LYS  21  -1.962   9.044  -5.818
  178    HZ2  LYS  21          2HZ       LYS  21  -1.164   9.501  -4.398
  179    HZ3  LYS  21          3HZ       LYS  21  -1.265   7.869  -4.828
  180    H    LYS  22           H        LYS  22   2.043   4.957  -2.773
  181    HA   LYS  22           HA       LYS  22   4.824   5.366  -2.588
  182    HB2  LYS  22          1HB       LYS  22   3.289   5.840  -0.718
  183    HB3  LYS  22          2HB       LYS  22   2.972   4.119  -0.534
  184    HG2  LYS  22          1HG       LYS  22   5.260   3.718   0.139
  185    HG3  LYS  22          2HG       LYS  22   5.688   5.398  -0.185
  186    HD2  LYS  22          1HD       LYS  22   4.188   6.140   1.593
  187    HD3  LYS  22          2HD       LYS  22   3.688   4.477   1.887
  188    HE2  LYS  22          1HE       LYS  22   6.528   5.463   2.192
  189    HE3  LYS  22          2HE       LYS  22   5.371   5.372   3.518
  190    HZ1  LYS  22          1HZ       LYS  22   6.468   3.116   1.930
  191    HZ2  LYS  22          2HZ       LYS  22   5.173   2.954   3.001
  192    HZ3  LYS  22          3HZ       LYS  22   6.690   3.416   3.578
  193    H    LEU  23           H        LEU  23   2.874   2.413  -2.567
  194    HA   LEU  23           HA       LEU  23   4.944   0.552  -2.187
  195    HB2  LEU  23          1HB       LEU  23   2.318   0.281  -2.347
  196    HB3  LEU  23          2HB       LEU  23   2.648  -0.026  -4.039
  197    HG   LEU  23           HG       LEU  23   3.777  -1.626  -1.723
  198   HD11  LEU  23          1HD1      LEU  23   1.370  -1.946  -1.964
  199   HD12  LEU  23          2HD1      LEU  23   2.252  -3.391  -2.448
  200   HD13  LEU  23          3HD1      LEU  23   1.578  -2.317  -3.674
  201   HD21  LEU  23          1HD2      LEU  23   4.504  -3.218  -3.438
  202   HD22  LEU  23          2HD2      LEU  23   5.270  -1.644  -3.656
  203   HD23  LEU  23          3HD2      LEU  23   3.931  -2.125  -4.701
  204    H    GLU  24           H        GLU  24   3.513   1.881  -5.131
  205    HA   GLU  24           HA       GLU  24   5.117   0.663  -7.050
  206    HB2  GLU  24          1HB       GLU  24   3.034   2.004  -7.435
  207    HB3  GLU  24          2HB       GLU  24   3.966   3.464  -7.145
  208    HG2  GLU  24          1HG       GLU  24   5.361   2.969  -9.090
  209    HG3  GLU  24          2HG       GLU  24   4.448   1.485  -9.369
  210    H    LYS  25           H        LYS  25   5.680   3.506  -5.067
  211    HA   LYS  25           HA       LYS  25   8.066   4.387  -6.318
  212    HB2  LYS  25          1HB       LYS  25   6.714   5.802  -4.813
  213    HB3  LYS  25          2HB       LYS  25   7.112   4.751  -3.463
  214    HG2  LYS  25          1HG       LYS  25   8.454   6.742  -3.359
  215    HG3  LYS  25          2HG       LYS  25   9.489   5.358  -3.720
  216    HD2  LYS  25          1HD       LYS  25   9.553   5.978  -6.070
  217    HD3  LYS  25          2HD       LYS  25   8.421   7.301  -5.777
  218    HE2  LYS  25          1HE       LYS  25  11.187   7.064  -4.576
  219    HE3  LYS  25          2HE       LYS  25  10.751   8.086  -5.946
  220    HZ1  LYS  25          1HZ       LYS  25  10.808   9.352  -3.900
  221    HZ2  LYS  25          2HZ       LYS  25   9.670   8.327  -3.190
  222    HZ3  LYS  25          3HZ       LYS  25   9.230   9.296  -4.500
  223    H    CYS  26           H        CYS  26   7.389   2.251  -3.574
  224    HA   CYS  26           HA       CYS  26  10.085   1.742  -2.867
  225    HB2  CYS  26          2HB       CYS  26   7.961   1.330  -1.476
  226    HB3  CYS  26          1HB       CYS  26   7.773  -0.156  -2.399
  227    H    GLN  27           H        GLN  27   8.001   0.523  -5.342
  228    HA   GLN  27           HA       GLN  27   9.567  -1.824  -5.946
  229    HB2  GLN  27          1HB       GLN  27   7.384  -0.422  -7.510
  230    HB3  GLN  27          2HB       GLN  27   8.114  -1.954  -7.972
  231    HG2  GLN  27          1HG       GLN  27   6.582  -1.453  -5.428
  232    HG3  GLN  27          2HG       GLN  27   5.941  -2.233  -6.872
  233   HE21  GLN  27          1HE2      GLN  27   7.436  -5.337  -6.247
  234   HE22  GLN  27          2HE2      GLN  27   6.613  -4.325  -7.387
  235    H    ALA  28           H        ALA  28  10.367   1.280  -6.211
  236    HA   ALA  28           HA       ALA  28  12.168   0.738  -8.454
  237    HB1  ALA  28          1HB       ALA  28  10.575   3.299  -8.158
  238    HB2  ALA  28          2HB       ALA  28  10.305   2.056  -9.380
  239    HB3  ALA  28          3HB       ALA  28  11.806   2.979  -9.383
  Start of MODEL    6
    1    H1   ALA   1          1H        ALA   1  13.616   0.264  -0.474
    2    H2   ALA   1          2H        ALA   1  12.046  -0.325  -0.255
    3    H3   ALA   1          3H        ALA   1  13.343  -1.403  -0.391
    4    HA   ALA   1           HA       ALA   1  14.288  -0.560   1.659
    5    HB1  ALA   1          1HB       ALA   1  13.344   1.699   1.503
    6    HB2  ALA   1          2HB       ALA   1  12.986   0.951   3.058
    7    HB3  ALA   1          3HB       ALA   1  11.737   1.045   1.818
    8    H    GLU   2           H        GLU   2  13.456  -1.286   3.830
    9    HA   GLU   2           HA       GLU   2  12.238  -3.823   3.565
   10    HB2  GLU   2          1HB       GLU   2  12.761  -2.127   6.015
   11    HB3  GLU   2          2HB       GLU   2  12.224  -3.801   6.069
   12    HG2  GLU   2          1HG       GLU   2  14.809  -2.803   4.884
   13    HG3  GLU   2          2HG       GLU   2  14.620  -3.632   6.429
   14    H    ASP   3           H        ASP   3  10.988  -0.662   4.272
   15    HA   ASP   3           HA       ASP   3   8.563  -1.463   5.487
   16    HB2  ASP   3          1HB       ASP   3   9.643   0.823   5.614
   17    HB3  ASP   3          2HB       ASP   3   9.056   1.112   3.981
   18    H    CYS   4           H        CYS   4   9.598  -1.712   2.271
   19    HA   CYS   4           HA       CYS   4   7.374  -1.155   0.721
   20    HB2  CYS   4          2HB       CYS   4   9.379  -3.405   0.414
   21    HB3  CYS   4          1HB       CYS   4   8.213  -2.951  -0.823
   22    H    GLU   5           H        GLU   5   8.186  -4.284   2.230
   23    HA   GLU   5           HA       GLU   5   5.860  -5.650   1.499
   24    HB2  GLU   5          1HB       GLU   5   7.968  -6.643   2.457
   25    HB3  GLU   5          2HB       GLU   5   7.464  -6.060   4.038
   26    HG2  GLU   5          1HG       GLU   5   5.553  -7.504   4.033
   27    HG3  GLU   5          2HG       GLU   5   5.844  -7.967   2.357
   28    H    ARG   6           H        ARG   6   6.598  -3.626   4.265
   29    HA   ARG   6           HA       ARG   6   4.265  -4.043   5.775
   30    HB2  ARG   6          1HB       ARG   6   6.412  -2.968   6.557
   31    HB3  ARG   6          2HB       ARG   6   5.966  -1.533   5.652
   32    HG2  ARG   6          1HG       ARG   6   4.083  -2.607   7.712
   33    HG3  ARG   6          2HG       ARG   6   5.502  -1.694   8.220
   34    HD2  ARG   6          1HD       ARG   6   4.802   0.212   6.908
   35    HD3  ARG   6          2HD       ARG   6   3.446  -0.702   6.247
   36    HE   ARG   6           HE       ARG   6   3.215  -0.727   9.031
   37   HH11  ARG   6          1HH1      ARG   6   3.133   1.615   6.435
   38   HH12  ARG   6          2HH1      ARG   6   1.965   2.627   7.220
   39   HH21  ARG   6          1HH2      ARG   6   1.663   0.593  10.057
   40   HH22  ARG   6          2HH2      ARG   6   1.119   2.044   9.271
   41    H    ILE   7           H        ILE   7   5.064  -1.700   3.244
   42    HA   ILE   7           HA       ILE   7   2.683  -0.196   3.336
   43    HB   ILE   7           HB       ILE   7   4.546  -0.677   0.996
   44   HG12  ILE   7          1HG1      ILE   7   4.415   1.624   2.965
   45   HG13  ILE   7          2HG1      ILE   7   5.639   0.360   2.957
   46   HG21  ILE   7          1HG2      ILE   7   2.370   0.107   0.239
   47   HG22  ILE   7          2HG2      ILE   7   3.588   1.364   0.040
   48   HG23  ILE   7          3HG2      ILE   7   2.443   1.452   1.378
   49   HD11  ILE   7          1HD1      ILE   7   5.167   2.365   0.760
   50   HD12  ILE   7          2HD1      ILE   7   6.413   1.114   0.772
   51   HD13  ILE   7          3HD1      ILE   7   6.458   2.419   1.959
   52    H    ARG   8           H        ARG   8   3.640  -3.052   1.446
   53    HA   ARG   8           HA       ARG   8   1.284  -3.248  -0.088
   54    HB2  ARG   8          1HB       ARG   8   3.557  -4.550  -0.264
   55    HB3  ARG   8          2HB       ARG   8   2.784  -5.702   0.815
   56    HG2  ARG   8          1HG       ARG   8   1.364  -4.837  -1.675
   57    HG3  ARG   8          2HG       ARG   8   2.670  -6.017  -1.788
   58    HD2  ARG   8          1HD       ARG   8   0.361  -6.368   0.114
   59    HD3  ARG   8          2HD       ARG   8   0.279  -6.903  -1.563
   60    HE   ARG   8           HE       ARG   8   2.592  -7.862  -0.123
   61   HH11  ARG   8          1HH1      ARG   8  -0.757  -8.503  -0.927
   62   HH12  ARG   8          2HH1      ARG   8  -0.615 -10.215  -0.692
   63   HH21  ARG   8          1HH2      ARG   8   2.797 -10.119   0.114
   64   HH22  ARG   8          2HH2      ARG   8   1.412 -11.134  -0.122
   65    H    LYS   9           H        LYS   9   2.144  -4.464   3.133
   66    HA   LYS   9           HA       LYS   9  -0.217  -5.863   3.698
   67    HB2  LYS   9          1HB       LYS   9   1.343  -4.178   5.679
   68    HB3  LYS   9          2HB       LYS   9   0.247  -5.492   6.066
   69    HG2  LYS   9          1HG       LYS   9   2.915  -5.715   4.687
   70    HG3  LYS   9          2HG       LYS   9   2.531  -6.206   6.334
   71    HD2  LYS   9          1HD       LYS   9   0.912  -7.855   5.403
   72    HD3  LYS   9          2HD       LYS   9   1.459  -7.417   3.781
   73    HE2  LYS   9          1HE       LYS   9   3.777  -8.058   4.470
   74    HE3  LYS   9          2HE       LYS   9   3.109  -8.646   5.993
   75    HZ1  LYS   9          1HZ       LYS   9   2.517  -9.663   3.273
   76    HZ2  LYS   9          2HZ       LYS   9   1.696 -10.158   4.660
   77    HZ3  LYS   9          3HZ       LYS   9   3.349 -10.473   4.505
   78    H    GLU  10           H        GLU  10   0.609  -2.438   4.186
   79    HA   GLU  10           HA       GLU  10  -1.818  -1.545   5.215
   80    HB2  GLU  10          1HB       GLU  10   0.133  -0.105   3.402
   81    HB3  GLU  10          2HB       GLU  10  -1.204   0.680   4.232
   82    HG2  GLU  10          1HG       GLU  10   1.124  -0.722   5.530
   83    HG3  GLU  10          2HG       GLU  10   0.871   1.021   5.430
   84    H    LEU  11           H        LEU  11  -0.860  -2.152   1.873
   85    HA   LEU  11           HA       LEU  11  -3.213  -1.112   0.675
   86    HB2  LEU  11          1HB       LEU  11  -1.199  -3.149  -0.277
   87    HB3  LEU  11          2HB       LEU  11  -2.552  -2.623  -1.264
   88    HG   LEU  11           HG       LEU  11  -0.328  -0.856  -0.224
   89   HD11  LEU  11          1HD1      LEU  11  -0.933  -1.850  -3.009
   90   HD12  LEU  11          2HD1      LEU  11   0.437  -2.318  -2.002
   91   HD13  LEU  11          3HD1      LEU  11   0.303  -0.661  -2.592
   92   HD21  LEU  11          1HD2      LEU  11  -2.436   0.363  -0.348
   93   HD22  LEU  11          2HD2      LEU  11  -2.677  -0.190  -2.007
   94   HD23  LEU  11          3HD2      LEU  11  -1.337   0.892  -1.622
   95    H    GLU  12           H        GLU  12  -2.338  -4.320   1.897
   96    HA   GLU  12           HA       GLU  12  -4.595  -5.739   1.104
   97    HB2  GLU  12          1HB       GLU  12  -2.640  -6.792   2.154
   98    HB3  GLU  12          2HB       GLU  12  -3.016  -5.994   3.676
   99    HG2  GLU  12          1HG       GLU  12  -5.253  -7.203   3.571
  100    HG3  GLU  12          2HG       GLU  12  -4.532  -8.180   2.296
  101    H    LYS  13           H        LYS  13  -4.074  -3.820   4.072
  102    HA   LYS  13           HA       LYS  13  -6.700  -4.381   5.098
  103    HB2  LYS  13          1HB       LYS  13  -4.545  -2.445   5.968
  104    HB3  LYS  13          2HB       LYS  13  -6.103  -2.540   6.772
  105    HG2  LYS  13          1HG       LYS  13  -4.586  -3.818   8.059
  106    HG3  LYS  13          2HG       LYS  13  -5.627  -4.966   7.220
  107    HD2  LYS  13          1HD       LYS  13  -3.907  -5.465   5.626
  108    HD3  LYS  13          2HD       LYS  13  -2.891  -4.158   6.235
  109    HE2  LYS  13          1HE       LYS  13  -2.065  -6.278   7.054
  110    HE3  LYS  13          2HE       LYS  13  -2.710  -5.335   8.396
  111    HZ1  LYS  13          1HZ       LYS  13  -4.731  -6.654   8.289
  112    HZ2  LYS  13          2HZ       LYS  13  -3.382  -7.640   8.530
  113    HZ3  LYS  13          3HZ       LYS  13  -4.102  -7.555   7.006
  114    H    ASN  14           H        ASN  14  -5.163  -1.564   3.594
  115    HA   ASN  14           HA       ASN  14  -7.813  -0.437   3.022
  116    HB2  ASN  14          1HB       ASN  14  -5.513   1.146   4.209
  117    HB3  ASN  14          2HB       ASN  14  -7.059   1.811   3.696
  118   HD21  ASN  14          1HD2      ASN  14  -8.770   0.913   6.605
  119   HD22  ASN  14          2HD2      ASN  14  -8.886   1.459   4.967
  120    HA   PRO  15           HA       PRO  15  -5.340  -0.352  -0.819
  121    HB2  PRO  15          2HB       PRO  15  -7.474  -0.168  -2.504
  122    HB3  PRO  15          1HB       PRO  15  -6.928  -1.698  -1.805
  123    HG2  PRO  15          2HG       PRO  15  -9.167   0.098  -0.925
  124    HG3  PRO  15          1HG       PRO  15  -9.145  -1.670  -1.077
  125    HD2  PRO  15          2HD       PRO  15  -8.853  -0.425   1.306
  126    HD3  PRO  15          1HD       PRO  15  -8.041  -1.960   0.933
  127    H    ASN  16           H        ASN  16  -4.762   1.813   0.189
  128    HA   ASN  16           HA       ASN  16  -6.248   4.104  -0.819
  129    HB2  ASN  16          1HB       ASN  16  -3.778   3.856   0.912
  130    HB3  ASN  16          2HB       ASN  16  -4.382   5.405   0.342
  131   HD21  ASN  16          1HD2      ASN  16  -6.172   3.467   3.413
  132   HD22  ASN  16          2HD2      ASN  16  -4.923   2.723   2.473
  133    H    ASP  17           H        ASP  17  -5.639   5.386  -2.479
  134    HA   ASP  17           HA       ASP  17  -3.778   4.475  -4.407
  135    HB2  ASP  17          1HB       ASP  17  -5.198   7.121  -4.038
  136    HB3  ASP  17          2HB       ASP  17  -4.144   6.789  -5.409
  137    H    GLU  18           H        GLU  18  -3.613   6.799  -1.790
  138    HA   GLU  18           HA       GLU  18  -1.159   8.017  -2.389
  139    HB2  GLU  18          1HB       GLU  18  -3.028   8.198  -0.351
  140    HB3  GLU  18          2HB       GLU  18  -1.639   7.520   0.480
  141    HG2  GLU  18          1HG       GLU  18  -1.833  10.140  -0.982
  142    HG3  GLU  18          2HG       GLU  18  -1.515   9.863   0.729
  143    H    ILE  19           H        ILE  19  -1.830   5.342  -0.155
  144    HA   ILE  19           HA       ILE  19   0.822   4.622   0.384
  145    HB   ILE  19           HB       ILE  19  -1.789   3.117   0.575
  146   HG12  ILE  19          1HG1      ILE  19  -1.342   3.265   3.009
  147   HG13  ILE  19          2HG1      ILE  19   0.148   4.139   2.679
  148   HG21  ILE  19          1HG2      ILE  19  -0.099   1.436   0.081
  149   HG22  ILE  19          2HG2      ILE  19  -0.643   1.303   1.751
  150   HG23  ILE  19          3HG2      ILE  19   0.912   2.049   1.386
  151   HD11  ILE  19          1HD1      ILE  19  -2.639   5.087   2.047
  152   HD12  ILE  19          2HD1      ILE  19  -1.149   5.973   1.719
  153   HD13  ILE  19          3HD1      ILE  19  -1.625   5.630   3.381
  154    H    LYS  20           H        LYS  20  -1.421   3.564  -2.120
  155    HA   LYS  20           HA       LYS  20   0.070   1.488  -3.247
  156    HB2  LYS  20          1HB       LYS  20  -2.255   1.859  -3.828
  157    HB3  LYS  20          2HB       LYS  20  -1.876   3.434  -4.506
  158    HG2  LYS  20          1HG       LYS  20  -0.657   2.405  -6.331
  159    HG3  LYS  20          2HG       LYS  20  -0.890   0.805  -5.618
  160    HD2  LYS  20          1HD       LYS  20  -2.474   1.230  -7.457
  161    HD3  LYS  20          2HD       LYS  20  -3.302   0.992  -5.918
  162    HE2  LYS  20          1HE       LYS  20  -3.447   3.473  -5.684
  163    HE3  LYS  20          2HE       LYS  20  -2.757   3.623  -7.299
  164    HZ1  LYS  20          1HZ       LYS  20  -5.309   2.267  -6.621
  165    HZ2  LYS  20          2HZ       LYS  20  -4.654   2.398  -8.173
  166    HZ3  LYS  20          3HZ       LYS  20  -5.163   3.788  -7.351
  167    H    LYS  21           H        LYS  21   0.061   4.961  -3.967
  168    HA   LYS  21           HA       LYS  21   1.963   4.888  -6.049
  169    HB2  LYS  21          1HB       LYS  21   0.456   6.818  -5.555
  170    HB3  LYS  21          2HB       LYS  21   1.394   7.147  -4.106
  171    HG2  LYS  21          1HG       LYS  21   2.079   8.664  -5.826
  172    HG3  LYS  21          2HG       LYS  21   3.391   7.523  -5.532
  173    HD2  LYS  21          1HD       LYS  21   3.113   7.890  -7.923
  174    HD3  LYS  21          2HD       LYS  21   2.690   6.227  -7.512
  175    HE2  LYS  21          1HE       LYS  21   1.076   7.158  -9.087
  176    HE3  LYS  21          2HE       LYS  21   0.305   6.839  -7.535
  177    HZ1  LYS  21          1HZ       LYS  21   1.232   9.487  -8.505
  178    HZ2  LYS  21          2HZ       LYS  21   0.531   9.193  -6.998
  179    HZ3  LYS  21          3HZ       LYS  21  -0.376   8.972  -8.404
  180    H    LYS  22           H        LYS  22   2.259   5.376  -2.550
  181    HA   LYS  22           HA       LYS  22   5.053   5.782  -2.492
  182    HB2  LYS  22          1HB       LYS  22   3.159   4.735  -0.378
  183    HB3  LYS  22          2HB       LYS  22   4.840   5.141  -0.067
  184    HG2  LYS  22          1HG       LYS  22   2.706   7.055  -1.020
  185    HG3  LYS  22          2HG       LYS  22   3.341   6.937   0.624
  186    HD2  LYS  22          1HD       LYS  22   5.588   7.524  -0.227
  187    HD3  LYS  22          2HD       LYS  22   4.915   7.694  -1.848
  188    HE2  LYS  22          1HE       LYS  22   4.132   9.327   0.573
  189    HE3  LYS  22          2HE       LYS  22   5.183   9.866  -0.736
  190    HZ1  LYS  22          1HZ       LYS  22   2.298   9.209  -0.907
  191    HZ2  LYS  22          2HZ       LYS  22   3.275   9.483  -2.258
  192    HZ3  LYS  22          3HZ       LYS  22   3.027  10.717  -1.139
  193    H    LEU  23           H        LEU  23   3.098   2.873  -2.547
  194    HA   LEU  23           HA       LEU  23   4.990   1.011  -1.669
  195    HB2  LEU  23          1HB       LEU  23   2.545   0.614  -1.947
  196    HB3  LEU  23          2HB       LEU  23   2.766   0.595  -3.682
  197    HG   LEU  23           HG       LEU  23   2.536  -1.652  -2.420
  198   HD11  LEU  23          1HD1      LEU  23   4.825  -1.283  -4.346
  199   HD12  LEU  23          2HD1      LEU  23   3.126  -1.504  -4.776
  200   HD13  LEU  23          3HD1      LEU  23   4.007  -2.802  -3.969
  201   HD21  LEU  23          1HD2      LEU  23   4.640  -2.612  -1.608
  202   HD22  LEU  23          2HD2      LEU  23   4.139  -1.219  -0.651
  203   HD23  LEU  23          3HD2      LEU  23   5.437  -1.054  -1.833
  204    H    GLU  24           H        GLU  24   4.380   2.362  -4.872
  205    HA   GLU  24           HA       GLU  24   6.230   0.599  -6.190
  206    HB2  GLU  24          1HB       GLU  24   4.962   3.161  -7.192
  207    HB3  GLU  24          2HB       GLU  24   5.785   1.958  -8.179
  208    HG2  GLU  24          1HG       GLU  24   4.069   0.295  -7.489
  209    HG3  GLU  24          2HG       GLU  24   3.216   1.587  -6.646
  210    H    LYS  25           H        LYS  25   6.509   3.562  -4.472
  211    HA   LYS  25           HA       LYS  25   9.207   4.005  -5.595
  212    HB2  LYS  25          1HB       LYS  25   7.522   5.856  -5.920
  213    HB3  LYS  25          2HB       LYS  25   7.474   6.042  -4.170
  214    HG2  LYS  25          1HG       LYS  25   9.876   6.573  -4.175
  215    HG3  LYS  25          2HG       LYS  25   9.898   6.416  -5.932
  216    HD2  LYS  25          1HD       LYS  25   8.306   8.269  -6.122
  217    HD3  LYS  25          2HD       LYS  25   8.247   8.404  -4.361
  218    HE2  LYS  25          1HE       LYS  25   9.722  10.098  -5.289
  219    HE3  LYS  25          2HE       LYS  25  10.643   8.941  -4.328
  220    HZ1  LYS  25          1HZ       LYS  25  10.434   8.942  -7.291
  221    HZ2  LYS  25          2HZ       LYS  25  11.332   7.849  -6.367
  222    HZ3  LYS  25          3HZ       LYS  25  11.767   9.481  -6.397
  223    H    CYS  26           H        CYS  26   8.363   2.160  -3.424
  224    HA   CYS  26           HA       CYS  26   9.244   3.323  -0.937
  225    HB2  CYS  26          2HB       CYS  26   8.851   1.127   0.002
  226    HB3  CYS  26          1HB       CYS  26   7.521   1.521  -1.085
  227    H    GLN  27           H        GLN  27  11.169   3.455  -3.091
  228    HA   GLN  27           HA       GLN  27  13.151   1.521  -3.090
  229    HB2  GLN  27          1HB       GLN  27  14.658   3.357  -3.858
  230    HB3  GLN  27          2HB       GLN  27  13.129   3.298  -4.727
  231    HG2  GLN  27          1HG       GLN  27  12.283   5.126  -3.274
  232    HG3  GLN  27          2HG       GLN  27  13.877   5.224  -2.529
  233   HE21  GLN  27          1HE2      GLN  27  14.488   7.765  -4.839
  234   HE22  GLN  27          2HE2      GLN  27  14.175   7.341  -3.192
  235    H    ALA  28           H        ALA  28  12.796   4.362  -1.021
  236    HA   ALA  28           HA       ALA  28  14.378   3.099   1.059
  237    HB1  ALA  28          1HB       ALA  28  15.118   5.811  -0.068
  238    HB2  ALA  28          2HB       ALA  28  16.063   4.332  -0.234
  239    HB3  ALA  28          3HB       ALA  28  15.833   5.058   1.356
  Start of MODEL    7
    1    H1   ALA   1          1H        ALA   1   9.183   7.236   6.047
    2    H2   ALA   1          2H        ALA   1  10.548   8.194   5.755
    3    H3   ALA   1          3H        ALA   1  10.496   7.185   7.110
    4    HA   ALA   1           HA       ALA   1  10.456   6.254   4.304
    5    HB1  ALA   1          1HB       ALA   1  12.728   6.228   6.299
    6    HB2  ALA   1          2HB       ALA   1  12.610   7.272   4.881
    7    HB3  ALA   1          3HB       ALA   1  12.759   5.524   4.683
    8    H    GLU   2           H        GLU   2   9.084   4.577   4.420
    9    HA   GLU   2           HA       GLU   2   9.423   2.636   6.615
   10    HB2  GLU   2          1HB       GLU   2   7.070   1.891   5.980
   11    HB3  GLU   2          2HB       GLU   2   7.209   3.448   6.778
   12    HG2  GLU   2          1HG       GLU   2   7.042   3.206   3.786
   13    HG3  GLU   2          2HG       GLU   2   5.605   3.256   4.804
   14    H    ASP   3           H        ASP   3   8.743   0.361   5.921
   15    HA   ASP   3           HA       ASP   3  10.454  -0.314   3.667
   16    HB2  ASP   3          1HB       ASP   3  10.619  -1.532   5.837
   17    HB3  ASP   3          2HB       ASP   3   8.989  -2.143   5.591
   18    H    CYS   4           H        CYS   4   9.816  -1.610   1.908
   19    HA   CYS   4           HA       CYS   4   7.388  -0.820   0.752
   20    HB2  CYS   4          2HB       CYS   4   9.240  -3.057  -0.098
   21    HB3  CYS   4          1HB       CYS   4   7.984  -2.329  -1.098
   22    H    GLU   5           H        GLU   5   8.289  -3.869   2.358
   23    HA   GLU   5           HA       GLU   5   5.884  -5.234   1.676
   24    HB2  GLU   5          1HB       GLU   5   7.916  -6.427   2.449
   25    HB3  GLU   5          2HB       GLU   5   7.710  -5.724   4.050
   26    HG2  GLU   5          1HG       GLU   5   5.490  -6.847   4.195
   27    HG3  GLU   5          2HG       GLU   5   5.836  -7.640   2.660
   28    H    ARG   6           H        ARG   6   6.817  -3.054   4.228
   29    HA   ARG   6           HA       ARG   6   4.546  -3.397   5.888
   30    HB2  ARG   6          1HB       ARG   6   6.384  -1.009   5.541
   31    HB3  ARG   6          2HB       ARG   6   5.215  -1.193   6.842
   32    HG2  ARG   6          1HG       ARG   6   7.552  -3.033   6.328
   33    HG3  ARG   6          2HG       ARG   6   7.499  -1.755   7.545
   34    HD2  ARG   6          1HD       ARG   6   5.607  -4.107   7.434
   35    HD3  ARG   6          2HD       ARG   6   7.034  -4.014   8.464
   36    HE   ARG   6           HE       ARG   6   5.966  -2.067   9.539
   37   HH11  ARG   6          1HH1      ARG   6   3.946  -4.354   7.822
   38   HH12  ARG   6          2HH1      ARG   6   2.520  -3.960   8.727
   39   HH21  ARG   6          1HH2      ARG   6   4.099  -1.557  10.730
   40   HH22  ARG   6          2HH2      ARG   6   2.610  -2.385  10.388
   41    H    ILE   7           H        ILE   7   5.340  -1.014   3.365
   42    HA   ILE   7           HA       ILE   7   2.880   0.313   3.265
   43    HB   ILE   7           HB       ILE   7   4.730  -0.245   0.926
   44   HG12  ILE   7          1HG1      ILE   7   4.713   2.111   2.838
   45   HG13  ILE   7          2HG1      ILE   7   5.895   0.806   2.853
   46   HG21  ILE   7          1HG2      ILE   7   2.531   0.575   0.231
   47   HG22  ILE   7          2HG2      ILE   7   3.768   1.802  -0.035
   48   HG23  ILE   7          3HG2      ILE   7   2.677   1.937   1.343
   49   HD11  ILE   7          1HD1      ILE   7   6.772   2.793   1.768
   50   HD12  ILE   7          2HD1      ILE   7   5.451   2.756   0.603
   51   HD13  ILE   7          3HD1      ILE   7   6.644   1.457   0.625
   52    H    ARG   8           H        ARG   8   3.986  -2.677   1.785
   53    HA   ARG   8           HA       ARG   8   1.820  -3.242   0.119
   54    HB2  ARG   8          1HB       ARG   8   3.953  -4.545   0.197
   55    HB3  ARG   8          2HB       ARG   8   3.447  -5.226   1.734
   56    HG2  ARG   8          1HG       ARG   8   1.453  -6.183   0.576
   57    HG3  ARG   8          2HG       ARG   8   2.138  -5.633  -0.952
   58    HD2  ARG   8          1HD       ARG   8   3.422  -7.570   0.976
   59    HD3  ARG   8          2HD       ARG   8   2.631  -7.996  -0.539
   60    HE   ARG   8           HE       ARG   8   4.690  -6.122  -1.026
   61   HH11  ARG   8          1HH1      ARG   8   4.240  -9.481  -0.116
   62   HH12  ARG   8          2HH1      ARG   8   5.719 -10.010  -0.861
   63   HH21  ARG   8          1HH2      ARG   8   6.647  -6.821  -1.980
   64   HH22  ARG   8          2HH2      ARG   8   7.077  -8.501  -1.923
   65    H    LYS   9           H        LYS   9   2.393  -4.136   3.507
   66    HA   LYS   9           HA       LYS   9  -0.059  -5.417   3.970
   67    HB2  LYS   9          1HB       LYS   9   1.694  -3.914   5.926
   68    HB3  LYS   9          2HB       LYS   9   0.389  -5.000   6.372
   69    HG2  LYS   9          1HG       LYS   9   2.817  -5.851   4.797
   70    HG3  LYS   9          2HG       LYS   9   2.687  -5.968   6.550
   71    HD2  LYS   9          1HD       LYS   9   2.116  -8.113   5.825
   72    HD3  LYS   9          2HD       LYS   9   0.553  -7.352   6.092
   73    HE2  LYS   9          1HE       LYS   9   0.382  -6.899   3.673
   74    HE3  LYS   9          2HE       LYS   9   1.935  -7.691   3.424
   75    HZ1  LYS   9          1HZ       LYS   9   0.970  -9.743   4.267
   76    HZ2  LYS   9          2HZ       LYS   9   0.102  -9.173   2.935
   77    HZ3  LYS   9          3HZ       LYS   9  -0.518  -8.976   4.494
   78    H    GLU  10           H        GLU  10   0.867  -2.014   4.165
   79    HA   GLU  10           HA       GLU  10  -1.594  -1.077   5.209
   80    HB2  GLU  10          1HB       GLU  10   0.394   0.366   3.440
   81    HB3  GLU  10          2HB       GLU  10  -0.914   1.134   4.330
   82    HG2  GLU  10          1HG       GLU  10   1.488  -0.277   5.475
   83    HG3  GLU  10          2HG       GLU  10   1.138   1.448   5.523
   84    H    LEU  11           H        LEU  11  -0.518  -1.794   1.929
   85    HA   LEU  11           HA       LEU  11  -2.831  -0.589   0.699
   86    HB2  LEU  11          1HB       LEU  11  -0.553  -0.763  -0.370
   87    HB3  LEU  11          2HB       LEU  11  -0.838  -2.484  -0.556
   88    HG   LEU  11           HG       LEU  11  -2.770  -2.008  -2.016
   89   HD11  LEU  11          1HD1      LEU  11  -3.177   0.273  -2.813
   90   HD12  LEU  11          2HD1      LEU  11  -1.964   0.883  -1.685
   91   HD13  LEU  11          3HD1      LEU  11  -3.442   0.136  -1.075
   92   HD21  LEU  11          1HD2      LEU  11  -1.509  -1.170  -3.946
   93   HD22  LEU  11          2HD2      LEU  11  -0.575  -2.350  -3.026
   94   HD23  LEU  11          3HD2      LEU  11  -0.220  -0.627  -2.871
   95    H    GLU  12           H        GLU  12  -1.908  -3.765   1.799
   96    HA   GLU  12           HA       GLU  12  -4.060  -5.168   0.523
   97    HB2  GLU  12          1HB       GLU  12  -2.323  -5.913   2.894
   98    HB3  GLU  12          2HB       GLU  12  -3.464  -7.001   2.116
   99    HG2  GLU  12          1HG       GLU  12  -1.053  -5.757   0.804
  100    HG3  GLU  12          2HG       GLU  12  -1.155  -7.406   1.413
  101    H    LYS  13           H        LYS  13  -3.500  -3.653   3.629
  102    HA   LYS  13           HA       LYS  13  -5.992  -4.522   4.796
  103    HB2  LYS  13          1HB       LYS  13  -3.989  -4.264   6.165
  104    HB3  LYS  13          2HB       LYS  13  -3.864  -2.574   5.722
  105    HG2  LYS  13          1HG       LYS  13  -6.298  -3.566   7.157
  106    HG3  LYS  13          2HG       LYS  13  -4.807  -3.252   8.045
  107    HD2  LYS  13          1HD       LYS  13  -4.831  -0.937   6.989
  108    HD3  LYS  13          2HD       LYS  13  -6.474  -1.300   6.455
  109    HE2  LYS  13          1HE       LYS  13  -6.559  -0.053   8.521
  110    HE3  LYS  13          2HE       LYS  13  -7.109  -1.701   8.818
  111    HZ1  LYS  13          1HZ       LYS  13  -4.407  -0.626   9.429
  112    HZ2  LYS  13          2HZ       LYS  13  -4.903  -2.222   9.688
  113    HZ3  LYS  13          3HZ       LYS  13  -5.621  -0.965  10.558
  114    H    ASN  14           H        ASN  14  -4.703  -1.607   3.311
  115    HA   ASN  14           HA       ASN  14  -7.405  -0.462   3.253
  116    HB2  ASN  14          1HB       ASN  14  -6.288   0.593   5.151
  117    HB3  ASN  14          2HB       ASN  14  -4.904   1.006   4.145
  118   HD21  ASN  14          1HD2      ASN  14  -6.394   4.160   3.929
  119   HD22  ASN  14          2HD2      ASN  14  -5.130   3.194   4.612
  120    HA   PRO  15           HA       PRO  15  -5.623  -0.244  -0.995
  121    HB2  PRO  15          2HB       PRO  15  -8.525  -0.260  -1.617
  122    HB3  PRO  15          1HB       PRO  15  -7.230  -1.259  -2.284
  123    HG2  PRO  15          2HG       PRO  15  -9.031  -2.280  -0.586
  124    HG3  PRO  15          1HG       PRO  15  -7.331  -2.790  -0.543
  125    HD2  PRO  15          2HD       PRO  15  -8.785  -0.874   1.253
  126    HD3  PRO  15          1HD       PRO  15  -7.590  -2.123   1.668
  127    H    ASN  16           H        ASN  16  -4.930   1.859  -0.969
  128    HA   ASN  16           HA       ASN  16  -6.930   3.936  -1.475
  129    HB2  ASN  16          1HB       ASN  16  -6.439   3.951   0.974
  130    HB3  ASN  16          2HB       ASN  16  -4.740   4.228   0.603
  131   HD21  ASN  16          1HD2      ASN  16  -7.463   7.229   0.355
  132   HD22  ASN  16          2HD2      ASN  16  -7.945   5.576   0.545
  133    H    ASP  17           H        ASP  17  -6.201   5.649  -2.690
  134    HA   ASP  17           HA       ASP  17  -4.369   5.202  -4.686
  135    HB2  ASP  17          1HB       ASP  17  -6.082   6.965  -4.776
  136    HB3  ASP  17          2HB       ASP  17  -5.217   7.884  -3.549
  137    H    GLU  18           H        GLU  18  -3.864   7.095  -1.720
  138    HA   GLU  18           HA       GLU  18  -1.307   8.029  -2.197
  139    HB2  GLU  18          1HB       GLU  18  -2.688   8.761  -0.306
  140    HB3  GLU  18          2HB       GLU  18  -2.520   7.180   0.444
  141    HG2  GLU  18          1HG       GLU  18  -0.057   7.578   0.567
  142    HG3  GLU  18          2HG       GLU  18  -0.347   9.219  -0.012
  143    H    ILE  19           H        ILE  19  -2.210   5.091  -0.410
  144    HA   ILE  19           HA       ILE  19   0.448   4.240   0.039
  145    HB   ILE  19           HB       ILE  19  -2.132   2.650   0.143
  146   HG12  ILE  19          1HG1      ILE  19  -1.718   2.848   2.654
  147   HG13  ILE  19          2HG1      ILE  19  -0.489   4.048   2.277
  148   HG21  ILE  19          1HG2      ILE  19  -0.856   0.992   1.443
  149   HG22  ILE  19          2HG2      ILE  19   0.622   1.907   1.141
  150   HG23  ILE  19          3HG2      ILE  19  -0.240   1.158  -0.203
  151   HD11  ILE  19          1HD1      ILE  19  -2.183   5.482   1.277
  152   HD12  ILE  19          2HD1      ILE  19  -2.594   5.074   2.943
  153   HD13  ILE  19          3HD1      ILE  19  -3.419   4.268   1.609
  154    H    LYS  20           H        LYS  20  -1.882   3.650  -2.513
  155    HA   LYS  20           HA       LYS  20  -0.655   1.478  -3.785
  156    HB2  LYS  20          1HB       LYS  20  -2.909   2.211  -4.370
  157    HB3  LYS  20          2HB       LYS  20  -2.287   3.739  -4.979
  158    HG2  LYS  20          1HG       LYS  20  -2.836   2.236  -6.806
  159    HG3  LYS  20          2HG       LYS  20  -1.101   2.551  -6.761
  160    HD2  LYS  20          1HD       LYS  20  -0.731   0.403  -5.641
  161    HD3  LYS  20          2HD       LYS  20  -2.469   0.090  -5.660
  162    HE2  LYS  20          1HE       LYS  20  -0.684   0.413  -8.077
  163    HE3  LYS  20          2HE       LYS  20  -1.341  -1.105  -7.467
  164    HZ1  LYS  20          1HZ       LYS  20  -2.876   1.163  -8.611
  165    HZ2  LYS  20          2HZ       LYS  20  -3.585  -0.189  -7.886
  166    HZ3  LYS  20          3HZ       LYS  20  -2.662  -0.370  -9.291
  167    H    LYS  21           H        LYS  21  -0.388   4.950  -4.554
  168    HA   LYS  21           HA       LYS  21   1.714   4.620  -6.435
  169    HB2  LYS  21          1HB       LYS  21   0.584   7.004  -4.981
  170    HB3  LYS  21          2HB       LYS  21   2.013   7.165  -5.989
  171    HG2  LYS  21          1HG       LYS  21   0.021   7.813  -7.210
  172    HG3  LYS  21          2HG       LYS  21   0.748   6.375  -7.927
  173    HD2  LYS  21          1HD       LYS  21  -0.922   4.964  -6.850
  174    HD3  LYS  21          2HD       LYS  21  -1.613   6.371  -6.040
  175    HE2  LYS  21          1HE       LYS  21  -1.490   5.992  -9.034
  176    HE3  LYS  21          2HE       LYS  21  -2.903   5.662  -8.033
  177    HZ1  LYS  21          1HZ       LYS  21  -2.940   7.992  -7.385
  178    HZ2  LYS  21          2HZ       LYS  21  -3.042   7.838  -9.066
  179    HZ3  LYS  21          3HZ       LYS  21  -1.587   8.307  -8.351
  180    H    LYS  22           H        LYS  22   1.591   5.023  -3.002
  181    HA   LYS  22           HA       LYS  22   4.268   5.801  -2.540
  182    HB2  LYS  22          1HB       LYS  22   2.302   5.906  -0.937
  183    HB3  LYS  22          2HB       LYS  22   2.501   4.179  -0.696
  184    HG2  LYS  22          1HG       LYS  22   4.719   4.532   0.228
  185    HG3  LYS  22          2HG       LYS  22   4.596   6.265  -0.096
  186    HD2  LYS  22          1HD       LYS  22   2.593   6.340   1.397
  187    HD3  LYS  22          2HD       LYS  22   2.884   4.648   1.802
  188    HE2  LYS  22          1HE       LYS  22   5.087   5.249   2.698
  189    HE3  LYS  22          2HE       LYS  22   4.788   6.940   2.297
  190    HZ1  LYS  22          1HZ       LYS  22   3.185   5.315   4.195
  191    HZ2  LYS  22          2HZ       LYS  22   2.928   6.944   3.829
  192    HZ3  LYS  22          3HZ       LYS  22   4.344   6.470   4.629
  193    H    LEU  23           H        LEU  23   2.665   2.663  -2.723
  194    HA   LEU  23           HA       LEU  23   5.014   1.114  -2.185
  195    HB2  LEU  23          1HB       LEU  23   2.538   0.460  -1.887
  196    HB3  LEU  23          2HB       LEU  23   2.527   0.160  -3.612
  197    HG   LEU  23           HG       LEU  23   4.319  -1.272  -1.628
  198   HD11  LEU  23          1HD1      LEU  23   1.967  -1.797  -1.247
  199   HD12  LEU  23          2HD1      LEU  23   2.828  -3.181  -1.917
  200   HD13  LEU  23          3HD1      LEU  23   1.774  -2.214  -2.949
  201   HD21  LEU  23          1HD2      LEU  23   5.287  -1.265  -3.856
  202   HD22  LEU  23          2HD2      LEU  23   3.765  -1.821  -4.548
  203   HD23  LEU  23          3HD2      LEU  23   4.681  -2.874  -3.470
  204    H    GLU  24           H        GLU  24   3.263   2.164  -5.040
  205    HA   GLU  24           HA       GLU  24   4.326   0.625  -7.035
  206    HB2  GLU  24          1HB       GLU  24   2.478   2.218  -7.321
  207    HB3  GLU  24          2HB       GLU  24   3.601   3.561  -7.152
  208    HG2  GLU  24          1HG       GLU  24   4.734   2.874  -9.212
  209    HG3  GLU  24          2HG       GLU  24   3.608   1.527  -9.381
  210    H    LYS  25           H        LYS  25   5.814   3.390  -5.456
  211    HA   LYS  25           HA       LYS  25   8.251   2.928  -7.059
  212    HB2  LYS  25          1HB       LYS  25   8.717   5.372  -6.864
  213    HB3  LYS  25          2HB       LYS  25   7.294   4.995  -7.825
  214    HG2  LYS  25          1HG       LYS  25   5.853   5.561  -5.937
  215    HG3  LYS  25          2HG       LYS  25   7.275   5.919  -4.953
  216    HD2  LYS  25          1HD       LYS  25   7.873   7.752  -6.418
  217    HD3  LYS  25          2HD       LYS  25   6.564   7.340  -7.526
  218    HE2  LYS  25          1HE       LYS  25   6.219   8.252  -4.665
  219    HE3  LYS  25          2HE       LYS  25   5.992   9.255  -6.097
  220    HZ1  LYS  25          1HZ       LYS  25   3.889   8.409  -5.240
  221    HZ2  LYS  25          2HZ       LYS  25   4.423   6.820  -5.454
  222    HZ3  LYS  25          3HZ       LYS  25   4.195   7.818  -6.795
  223    H    CYS  26           H        CYS  26   7.310   2.042  -4.306
  224    HA   CYS  26           HA       CYS  26   8.797   3.306  -2.293
  225    HB2  CYS  26          2HB       CYS  26   7.108   1.663  -1.723
  226    HB3  CYS  26          1HB       CYS  26   7.985   0.399  -2.578
  227    H    GLN  27           H        GLN  27   9.662   0.717  -4.524
  228    HA   GLN  27           HA       GLN  27  12.470   1.433  -4.257
  229    HB2  GLN  27          1HB       GLN  27  12.148  -0.407  -2.632
  230    HB3  GLN  27          2HB       GLN  27  11.491  -1.421  -3.911
  231    HG2  GLN  27          1HG       GLN  27  13.630  -1.397  -5.061
  232    HG3  GLN  27          2HG       GLN  27  14.295  -0.309  -3.843
  233   HE21  GLN  27          1HE2      GLN  27  13.990  -4.301  -3.131
  234   HE22  GLN  27          2HE2      GLN  27  13.262  -3.567  -4.518
  235    H    ALA  28           H        ALA  28  12.370   2.249  -6.299
  236    HA   ALA  28           HA       ALA  28  11.316   0.578  -8.462
  237    HB1  ALA  28          1HB       ALA  28  12.094   3.502  -8.471
  238    HB2  ALA  28          2HB       ALA  28  10.457   2.869  -8.278
  239    HB3  ALA  28          3HB       ALA  28  11.324   2.623  -9.795
  Start of MODEL    8
    1    H1   ALA   1          1H        ALA   1   9.090   6.345   8.166
    2    H2   ALA   1          2H        ALA   1   8.603   6.308   6.547
    3    H3   ALA   1          3H        ALA   1   9.895   7.295   7.019
    4    HA   ALA   1           HA       ALA   1  10.751   5.372   5.917
    5    HB1  ALA   1          1HB       ALA   1  12.228   4.505   7.673
    6    HB2  ALA   1          2HB       ALA   1  11.187   5.212   8.907
    7    HB3  ALA   1          3HB       ALA   1  12.063   6.258   7.788
    8    H    GLU   2           H        GLU   2   9.606   3.757   5.043
    9    HA   GLU   2           HA       GLU   2   8.602   1.637   6.772
   10    HB2  GLU   2          1HB       GLU   2   6.420   1.650   5.457
   11    HB3  GLU   2          2HB       GLU   2   6.631   2.924   6.647
   12    HG2  GLU   2          1HG       GLU   2   7.092   3.264   3.683
   13    HG3  GLU   2          2HG       GLU   2   5.599   3.678   4.520
   14    H    ASP   3           H        ASP   3   8.806  -0.309   5.931
   15    HA   ASP   3           HA       ASP   3  10.403  -0.673   3.598
   16    HB2  ASP   3          1HB       ASP   3   9.071  -2.565   5.535
   17    HB3  ASP   3          2HB       ASP   3   9.989  -3.144   4.155
   18    H    CYS   4           H        CYS   4   9.850  -2.263   1.875
   19    HA   CYS   4           HA       CYS   4   7.460  -1.445   0.575
   20    HB2  CYS   4          2HB       CYS   4   9.670  -2.180  -0.507
   21    HB3  CYS   4          1HB       CYS   4   9.115  -3.830  -0.252
   22    H    GLU   5           H        GLU   5   8.424  -4.451   2.212
   23    HA   GLU   5           HA       GLU   5   6.068  -5.917   1.777
   24    HB2  GLU   5          1HB       GLU   5   8.008  -6.992   2.756
   25    HB3  GLU   5          2HB       GLU   5   7.961  -5.910   4.141
   26    HG2  GLU   5          1HG       GLU   5   5.714  -6.882   4.706
   27    HG3  GLU   5          2HG       GLU   5   5.989  -8.074   3.440
   28    H    ARG   6           H        ARG   6   6.918  -3.483   4.137
   29    HA   ARG   6           HA       ARG   6   4.625  -3.708   5.773
   30    HB2  ARG   6          1HB       ARG   6   6.583  -1.439   5.354
   31    HB3  ARG   6          2HB       ARG   6   5.353  -1.451   6.604
   32    HG2  ARG   6          1HG       ARG   6   7.552  -3.495   6.330
   33    HG3  ARG   6          2HG       ARG   6   7.574  -2.121   7.436
   34    HD2  ARG   6          1HD       ARG   6   5.471  -4.289   7.452
   35    HD3  ARG   6          2HD       ARG   6   6.892  -4.279   8.494
   36    HE   ARG   6           HE       ARG   6   6.026  -2.318   9.577
   37   HH11  ARG   6          1HH1      ARG   6   3.770  -3.925   7.431
   38   HH12  ARG   6          2HH1      ARG   6   2.373  -3.190   8.147
   39   HH21  ARG   6          1HH2      ARG   6   4.195  -1.431  10.565
   40   HH22  ARG   6          2HH2      ARG   6   2.610  -1.840   9.986
   41    H    ILE   7           H        ILE   7   5.468  -1.279   3.280
   42    HA   ILE   7           HA       ILE   7   3.032   0.061   3.192
   43    HB   ILE   7           HB       ILE   7   4.924  -0.481   0.879
   44   HG12  ILE   7          1HG1      ILE   7   4.761   1.879   2.782
   45   HG13  ILE   7          2HG1      ILE   7   6.010   0.638   2.794
   46   HG21  ILE   7          1HG2      ILE   7   3.936   1.525  -0.150
   47   HG22  ILE   7          2HG2      ILE   7   2.773   1.626   1.173
   48   HG23  ILE   7          3HG2      ILE   7   2.742   0.245   0.073
   49   HD11  ILE   7          1HD1      ILE   7   6.805   2.670   1.738
   50   HD12  ILE   7          2HD1      ILE   7   5.487   2.597   0.566
   51   HD13  ILE   7          3HD1      ILE   7   6.735   1.349   0.574
   52    H    ARG   8           H        ARG   8   4.076  -2.847   1.488
   53    HA   ARG   8           HA       ARG   8   1.818  -3.304  -0.110
   54    HB2  ARG   8          1HB       ARG   8   3.981  -4.523  -0.294
   55    HB3  ARG   8          2HB       ARG   8   3.625  -5.346   1.215
   56    HG2  ARG   8          1HG       ARG   8   3.111  -6.842  -0.564
   57    HG3  ARG   8          2HG       ARG   8   1.589  -6.301   0.140
   58    HD2  ARG   8          1HD       ARG   8   1.353  -4.653  -1.683
   59    HD3  ARG   8          2HD       ARG   8   2.848  -5.257  -2.403
   60    HE   ARG   8           HE       ARG   8   0.441  -6.932  -2.041
   61   HH11  ARG   8          1HH1      ARG   8   3.161  -5.876  -3.979
   62   HH12  ARG   8          2HH1      ARG   8   2.761  -6.904  -5.320
   63   HH21  ARG   8          1HH2      ARG   8  -0.078  -8.293  -3.794
   64   HH22  ARG   8          2HH2      ARG   8   0.922  -8.280  -5.216
   65    H    LYS   9           H        LYS   9   2.635  -4.340   3.140
   66    HA   LYS   9           HA       LYS   9   0.381  -5.917   3.678
   67    HB2  LYS   9          1HB       LYS   9   2.498  -5.923   4.985
   68    HB3  LYS   9          2HB       LYS   9   2.084  -4.343   5.630
   69    HG2  LYS   9          1HG       LYS   9   0.215  -5.247   6.829
   70    HG3  LYS   9          2HG       LYS   9   0.422  -6.824   6.053
   71    HD2  LYS   9          1HD       LYS   9   2.637  -7.046   7.116
   72    HD3  LYS   9          2HD       LYS   9   2.409  -5.482   7.901
   73    HE2  LYS   9          1HE       LYS   9   0.535  -6.341   9.163
   74    HE3  LYS   9          2HE       LYS   9   0.618  -7.879   8.300
   75    HZ1  LYS   9          1HZ       LYS   9   1.648  -7.956  10.506
   76    HZ2  LYS   9          2HZ       LYS   9   2.772  -6.792  10.027
   77    HZ3  LYS   9          3HZ       LYS   9   2.753  -8.309   9.276
   78    H    GLU  10           H        GLU  10   1.015  -2.482   4.317
   79    HA   GLU  10           HA       GLU  10  -1.530  -1.990   5.489
   80    HB2  GLU  10          1HB       GLU  10   0.719  -0.270   4.531
   81    HB3  GLU  10          2HB       GLU  10  -0.847   0.479   4.802
   82    HG2  GLU  10          1HG       GLU  10   0.419   0.773   6.777
   83    HG3  GLU  10          2HG       GLU  10  -0.805  -0.440   7.127
   84    H    LEU  11           H        LEU  11  -0.373  -2.073   2.199
   85    HA   LEU  11           HA       LEU  11  -2.596  -0.703   1.030
   86    HB2  LEU  11          1HB       LEU  11  -0.216  -1.521   0.037
   87    HB3  LEU  11          2HB       LEU  11  -1.210  -2.854  -0.512
   88    HG   LEU  11           HG       LEU  11  -1.394   0.053  -1.283
   89   HD11  LEU  11          1HD1      LEU  11  -1.111  -2.478  -2.895
   90   HD12  LEU  11          2HD1      LEU  11   0.153  -1.294  -2.555
   91   HD13  LEU  11          3HD1      LEU  11  -1.229  -0.844  -3.554
   92   HD21  LEU  11          1HD2      LEU  11  -3.670  -0.608  -0.820
   93   HD22  LEU  11          2HD2      LEU  11  -3.481  -2.067  -1.795
   94   HD23  LEU  11          3HD2      LEU  11  -3.427  -0.478  -2.561
   95    H    GLU  12           H        GLU  12  -1.754  -4.086   1.569
   96    HA   GLU  12           HA       GLU  12  -4.143  -5.209   0.549
   97    HB2  GLU  12          1HB       GLU  12  -1.920  -6.368   0.895
   98    HB3  GLU  12          2HB       GLU  12  -2.271  -6.390   2.616
   99    HG2  GLU  12          1HG       GLU  12  -4.226  -7.771   2.227
  100    HG3  GLU  12          2HG       GLU  12  -3.955  -7.701   0.487
  101    H    LYS  13           H        LYS  13  -3.241  -3.765   3.549
  102    HA   LYS  13           HA       LYS  13  -5.481  -4.623   5.098
  103    HB2  LYS  13          1HB       LYS  13  -3.553  -3.784   6.254
  104    HB3  LYS  13          2HB       LYS  13  -3.555  -2.298   5.320
  105    HG2  LYS  13          1HG       LYS  13  -4.334  -1.776   7.505
  106    HG3  LYS  13          2HG       LYS  13  -5.721  -1.693   6.418
  107    HD2  LYS  13          1HD       LYS  13  -6.362  -2.801   8.476
  108    HD3  LYS  13          2HD       LYS  13  -6.388  -3.962   7.148
  109    HE2  LYS  13          1HE       LYS  13  -4.296  -4.908   7.851
  110    HE3  LYS  13          2HE       LYS  13  -4.067  -3.641   9.055
  111    HZ1  LYS  13          1HZ       LYS  13  -6.281  -5.616   9.096
  112    HZ2  LYS  13          2HZ       LYS  13  -5.923  -4.474  10.292
  113    HZ3  LYS  13          3HZ       LYS  13  -4.859  -5.750   9.996
  114    H    ASN  14           H        ASN  14  -4.727  -1.633   3.310
  115    HA   ASN  14           HA       ASN  14  -7.597  -1.074   3.059
  116    HB2  ASN  14          1HB       ASN  14  -6.804   0.198   5.007
  117    HB3  ASN  14          2HB       ASN  14  -5.518   0.908   4.036
  118   HD21  ASN  14          1HD2      ASN  14  -7.656   3.636   3.704
  119   HD22  ASN  14          2HD2      ASN  14  -6.226   2.991   4.428
  120    HA   PRO  15           HA       PRO  15  -5.693  -0.625  -1.097
  121    HB2  PRO  15          2HB       PRO  15  -8.565  -0.806  -1.842
  122    HB3  PRO  15          1HB       PRO  15  -7.186  -1.723  -2.456
  123    HG2  PRO  15          2HG       PRO  15  -8.977  -2.857  -0.828
  124    HG3  PRO  15          1HG       PRO  15  -7.247  -3.246  -0.702
  125    HD2  PRO  15          2HD       PRO  15  -8.913  -1.426   1.008
  126    HD3  PRO  15          1HD       PRO  15  -7.652  -2.584   1.489
  127    H    ASN  16           H        ASN  16  -5.130   1.449  -1.471
  128    HA   ASN  16           HA       ASN  16  -7.163   3.471  -1.933
  129    HB2  ASN  16          1HB       ASN  16  -6.843   3.536   0.527
  130    HB3  ASN  16          2HB       ASN  16  -5.123   3.792   0.294
  131   HD21  ASN  16          1HD2      ASN  16  -7.039   6.986   0.928
  132   HD22  ASN  16          2HD2      ASN  16  -7.109   5.427   1.673
  133    H    ASP  17           H        ASP  17  -6.410   5.195  -3.131
  134    HA   ASP  17           HA       ASP  17  -4.451   4.744  -5.018
  135    HB2  ASP  17          1HB       ASP  17  -5.393   7.454  -4.036
  136    HB3  ASP  17          2HB       ASP  17  -4.644   7.116  -5.592
  137    H    GLU  18           H        GLU  18  -4.226   6.563  -1.998
  138    HA   GLU  18           HA       GLU  18  -1.735   7.717  -2.300
  139    HB2  GLU  18          1HB       GLU  18  -3.595   7.338  -0.174
  140    HB3  GLU  18          2HB       GLU  18  -2.020   6.857   0.435
  141    HG2  GLU  18          1HG       GLU  18  -2.710   9.519  -0.805
  142    HG3  GLU  18          2HG       GLU  18  -2.471   9.195   0.910
  143    H    ILE  19           H        ILE  19  -2.446   4.577  -0.745
  144    HA   ILE  19           HA       ILE  19   0.302   3.990  -0.278
  145    HB   ILE  19           HB       ILE  19  -1.990   1.996  -0.344
  146   HG12  ILE  19          1HG1      ILE  19  -1.887   2.198   2.174
  147   HG13  ILE  19          2HG1      ILE  19  -0.870   3.617   1.965
  148   HG21  ILE  19          1HG2      ILE  19  -0.506   0.634   1.084
  149   HG22  ILE  19          2HG2      ILE  19   0.765   1.843   0.899
  150   HG23  ILE  19          3HG2      ILE  19   0.193   0.941  -0.504
  151   HD11  ILE  19          1HD1      ILE  19  -2.706   4.752   0.827
  152   HD12  ILE  19          2HD1      ILE  19  -3.176   4.215   2.437
  153   HD13  ILE  19          3HD1      ILE  19  -3.711   3.317   1.016
  154    H    LYS  20           H        LYS  20  -2.024   3.097  -2.772
  155    HA   LYS  20           HA       LYS  20  -0.571   1.249  -4.251
  156    HB2  LYS  20          1HB       LYS  20  -2.538   3.381  -5.084
  157    HB3  LYS  20          2HB       LYS  20  -1.848   2.258  -6.245
  158    HG2  LYS  20          1HG       LYS  20  -2.885   0.393  -5.166
  159    HG3  LYS  20          2HG       LYS  20  -3.400   1.399  -3.807
  160    HD2  LYS  20          1HD       LYS  20  -4.909   2.634  -5.210
  161    HD3  LYS  20          2HD       LYS  20  -4.279   1.854  -6.660
  162    HE2  LYS  20          1HE       LYS  20  -5.658   0.357  -4.433
  163    HE3  LYS  20          2HE       LYS  20  -6.504   0.997  -5.843
  164    HZ1  LYS  20          1HZ       LYS  20  -4.319  -1.015  -5.878
  165    HZ2  LYS  20          2HZ       LYS  20  -5.059  -0.365  -7.250
  166    HZ3  LYS  20          3HZ       LYS  20  -5.958  -1.306  -6.177
  167    H    LYS  21           H        LYS  21  -0.449   4.766  -4.299
  168    HA   LYS  21           HA       LYS  21   1.455   4.886  -6.454
  169    HB2  LYS  21          1HB       LYS  21  -0.388   6.608  -5.702
  170    HB3  LYS  21          2HB       LYS  21   0.854   7.182  -4.605
  171    HG2  LYS  21          1HG       LYS  21   1.235   6.977  -7.587
  172    HG3  LYS  21          2HG       LYS  21   0.645   8.425  -6.775
  173    HD2  LYS  21          1HD       LYS  21   2.728   8.538  -5.475
  174    HD3  LYS  21          2HD       LYS  21   3.314   7.088  -6.291
  175    HE2  LYS  21          1HE       LYS  21   2.653   9.727  -7.608
  176    HE3  LYS  21          2HE       LYS  21   4.273   9.110  -7.283
  177    HZ1  LYS  21          1HZ       LYS  21   2.272   7.894  -9.114
  178    HZ2  LYS  21          2HZ       LYS  21   3.792   7.239  -8.768
  179    HZ3  LYS  21          3HZ       LYS  21   3.672   8.724  -9.568
  180    H    LYS  22           H        LYS  22   1.526   5.074  -2.933
  181    HA   LYS  22           HA       LYS  22   4.230   5.983  -2.779
  182    HB2  LYS  22          1HB       LYS  22   2.378   4.804  -0.708
  183    HB3  LYS  22          2HB       LYS  22   4.002   5.368  -0.338
  184    HG2  LYS  22          1HG       LYS  22   1.751   7.049  -1.442
  185    HG3  LYS  22          2HG       LYS  22   2.341   7.059   0.222
  186    HD2  LYS  22          1HD       LYS  22   4.529   7.846  -0.556
  187    HD3  LYS  22          2HD       LYS  22   3.958   7.814  -2.224
  188    HE2  LYS  22          1HE       LYS  22   3.920  10.080  -1.304
  189    HE3  LYS  22          2HE       LYS  22   2.298   9.521  -1.707
  190    HZ1  LYS  22          1HZ       LYS  22   2.470  10.675   0.456
  191    HZ2  LYS  22          2HZ       LYS  22   3.449   9.421   1.023
  192    HZ3  LYS  22          3HZ       LYS  22   1.847   9.110   0.576
  193    H    LEU  23           H        LEU  23   2.787   2.857  -3.132
  194    HA   LEU  23           HA       LEU  23   4.810   1.270  -1.995
  195    HB2  LEU  23          1HB       LEU  23   2.419   0.726  -3.161
  196    HB3  LEU  23          2HB       LEU  23   3.493   0.246  -4.458
  197    HG   LEU  23           HG       LEU  23   3.418  -0.885  -1.653
  198   HD11  LEU  23          1HD1      LEU  23   1.630  -1.680  -3.092
  199   HD12  LEU  23          2HD1      LEU  23   2.790  -2.964  -2.767
  200   HD13  LEU  23          3HD1      LEU  23   2.803  -2.138  -4.328
  201   HD21  LEU  23          1HD2      LEU  23   5.737  -0.792  -2.397
  202   HD22  LEU  23          2HD2      LEU  23   5.301  -1.599  -3.904
  203   HD23  LEU  23          3HD2      LEU  23   5.154  -2.456  -2.369
  204    H    GLU  24           H        GLU  24   4.594   2.967  -5.029
  205    HA   GLU  24           HA       GLU  24   6.493   1.609  -6.554
  206    HB2  GLU  24          1HB       GLU  24   6.023   4.593  -6.581
  207    HB3  GLU  24          2HB       GLU  24   6.641   3.607  -7.899
  208    HG2  GLU  24          1HG       GLU  24   4.504   2.514  -8.144
  209    HG3  GLU  24          2HG       GLU  24   3.870   3.365  -6.734
  210    H    LYS  25           H        LYS  25   6.907   4.086  -4.082
  211    HA   LYS  25           HA       LYS  25   9.732   4.396  -4.695
  212    HB2  LYS  25          1HB       LYS  25   9.729   6.228  -3.154
  213    HB3  LYS  25          2HB       LYS  25   8.275   6.355  -4.126
  214    HG2  LYS  25          1HG       LYS  25   7.383   6.796  -2.083
  215    HG3  LYS  25          2HG       LYS  25   7.219   5.042  -2.072
  216    HD2  LYS  25          1HD       LYS  25   9.382   4.901  -0.833
  217    HD3  LYS  25          2HD       LYS  25   9.417   6.663  -0.768
  218    HE2  LYS  25          1HE       LYS  25   7.315   6.651   0.497
  219    HE3  LYS  25          2HE       LYS  25   7.281   4.890   0.426
  220    HZ1  LYS  25          1HZ       LYS  25   9.431   4.903   1.632
  221    HZ2  LYS  25          2HZ       LYS  25   8.155   5.552   2.523
  222    HZ3  LYS  25          3HZ       LYS  25   9.290   6.580   1.814
  223    H    CYS  26           H        CYS  26   8.044   2.134  -3.056
  224    HA   CYS  26           HA       CYS  26   9.136   1.983  -0.495
  225    HB2  CYS  26          2HB       CYS  26   8.417  -0.307  -0.449
  226    HB3  CYS  26          1HB       CYS  26   7.225   0.605  -1.367
  227    H    GLN  27           H        GLN  27  10.196   0.239  -3.410
  228    HA   GLN  27           HA       GLN  27  12.823  -0.185  -2.205
  229    HB2  GLN  27          1HB       GLN  27  11.680  -2.052  -3.426
  230    HB3  GLN  27          2HB       GLN  27  11.761  -1.095  -4.898
  231    HG2  GLN  27          1HG       GLN  27  13.523  -2.731  -4.893
  232    HG3  GLN  27          2HG       GLN  27  14.217  -1.114  -4.755
  233   HE21  GLN  27          1HE2      GLN  27  14.689  -3.843  -1.792
  234   HE22  GLN  27          2HE2      GLN  27  13.647  -4.132  -3.141
  235    H    ALA  28           H        ALA  28  13.780   1.786  -2.233
  236    HA   ALA  28           HA       ALA  28  13.531   3.684  -4.321
  237    HB1  ALA  28          1HB       ALA  28  15.293   4.913  -3.163
  238    HB2  ALA  28          2HB       ALA  28  15.647   3.496  -2.174
  239    HB3  ALA  28          3HB       ALA  28  14.092   4.313  -2.021
  Start of MODEL    9
    1    H1   ALA   1          1H        ALA   1   9.911  -0.669  10.898
    2    H2   ALA   1          2H        ALA   1   9.032   0.717  11.297
    3    H3   ALA   1          3H        ALA   1  10.677   0.625  11.674
    4    HA   ALA   1           HA       ALA   1  10.294   2.030   9.755
    5    HB1  ALA   1          1HB       ALA   1  11.933   0.985   8.273
    6    HB2  ALA   1          2HB       ALA   1  11.696  -0.563   9.086
    7    HB3  ALA   1          3HB       ALA   1  12.406   0.792   9.962
    8    H    GLU   2           H        GLU   2   9.191   2.423   7.903
    9    HA   GLU   2           HA       GLU   2   7.213   0.433   7.117
   10    HB2  GLU   2          1HB       GLU   2   7.493   3.317   6.235
   11    HB3  GLU   2          2HB       GLU   2   6.138   2.250   5.883
   12    HG2  GLU   2          1HG       GLU   2   5.762   2.053   8.356
   13    HG3  GLU   2          2HG       GLU   2   6.977   3.310   8.577
   14    H    ASP   3           H        ASP   3   8.592  -1.009   6.109
   15    HA   ASP   3           HA       ASP   3  10.123  -0.230   3.775
   16    HB2  ASP   3          1HB       ASP   3  10.677  -2.643   3.662
   17    HB3  ASP   3          2HB       ASP   3  10.996  -1.968   5.258
   18    H    CYS   4           H        CYS   4   9.770  -2.264   1.994
   19    HA   CYS   4           HA       CYS   4   7.434  -1.406   0.627
   20    HB2  CYS   4          2HB       CYS   4   9.410  -3.606   0.031
   21    HB3  CYS   4          1HB       CYS   4   8.073  -3.191  -1.041
   22    H    GLU   5           H        GLU   5   8.198  -4.387   2.415
   23    HA   GLU   5           HA       GLU   5   5.780  -5.727   1.707
   24    HB2  GLU   5          1HB       GLU   5   7.743  -6.926   2.621
   25    HB3  GLU   5          2HB       GLU   5   7.543  -6.091   4.153
   26    HG2  GLU   5          1HG       GLU   5   6.685  -8.351   4.294
   27    HG3  GLU   5          2HG       GLU   5   5.376  -7.182   4.469
   28    H    ARG   6           H        ARG   6   6.794  -3.616   4.311
   29    HA   ARG   6           HA       ARG   6   4.553  -3.624   5.951
   30    HB2  ARG   6          1HB       ARG   6   6.849  -2.399   6.172
   31    HB3  ARG   6          2HB       ARG   6   6.061  -1.089   5.306
   32    HG2  ARG   6          1HG       ARG   6   5.920  -0.584   7.616
   33    HG3  ARG   6          2HG       ARG   6   4.305  -1.087   7.108
   34    HD2  ARG   6          1HD       ARG   6   5.048  -2.061   9.288
   35    HD3  ARG   6          2HD       ARG   6   4.606  -3.263   8.073
   36    HE   ARG   6           HE       ARG   6   7.430  -2.579   8.195
   37   HH11  ARG   6          1HH1      ARG   6   4.905  -4.744   9.283
   38   HH12  ARG   6          2HH1      ARG   6   5.998  -6.037   9.653
   39   HH21  ARG   6          1HH2      ARG   6   8.874  -4.273   8.665
   40   HH22  ARG   6          2HH2      ARG   6   8.267  -5.775   9.293
   41    H    ILE   7           H        ILE   7   5.308  -1.216   3.446
   42    HA   ILE   7           HA       ILE   7   2.809   0.054   3.466
   43    HB   ILE   7           HB       ILE   7   4.886  -0.034   1.262
   44   HG12  ILE   7          1HG1      ILE   7   4.399   1.986   3.475
   45   HG13  ILE   7          2HG1      ILE   7   5.731   0.841   3.408
   46   HG21  ILE   7          1HG2      ILE   7   2.725   0.675   0.376
   47   HG22  ILE   7          2HG2      ILE   7   3.837   2.040   0.442
   48   HG23  ILE   7          3HG2      ILE   7   2.573   1.874   1.662
   49   HD11  ILE   7          1HD1      ILE   7   5.244   3.108   1.490
   50   HD12  ILE   7          2HD1      ILE   7   6.572   1.951   1.400
   51   HD13  ILE   7          3HD1      ILE   7   6.454   3.054   2.769
   52    H    ARG   8           H        ARG   8   4.043  -2.623   1.500
   53    HA   ARG   8           HA       ARG   8   1.933  -2.743  -0.353
   54    HB2  ARG   8          1HB       ARG   8   4.142  -4.040  -0.457
   55    HB3  ARG   8          2HB       ARG   8   3.412  -5.174   0.676
   56    HG2  ARG   8          1HG       ARG   8   1.482  -5.080  -1.220
   57    HG3  ARG   8          2HG       ARG   8   2.908  -4.776  -2.210
   58    HD2  ARG   8          1HD       ARG   8   2.654  -7.099  -2.260
   59    HD3  ARG   8          2HD       ARG   8   3.912  -6.839  -1.052
   60    HE   ARG   8           HE       ARG   8   1.337  -6.928   0.154
   61   HH11  ARG   8          1HH1      ARG   8   3.802  -8.996  -1.220
   62   HH12  ARG   8          2HH1      ARG   8   3.329 -10.388  -0.301
   63   HH21  ARG   8          1HH2      ARG   8   0.671  -8.794   1.324
   64   HH22  ARG   8          2HH2      ARG   8   1.555 -10.273   1.126
   65    H    LYS   9           H        LYS   9   2.415  -4.294   2.785
   66    HA   LYS   9           HA       LYS   9  -0.014  -5.790   2.644
   67    HB2  LYS   9          1HB       LYS   9   2.057  -6.425   3.973
   68    HB3  LYS   9          2HB       LYS   9   1.579  -5.201   5.144
   69    HG2  LYS   9          1HG       LYS   9  -0.477  -6.360   5.605
   70    HG3  LYS   9          2HG       LYS   9  -0.158  -7.518   4.309
   71    HD2  LYS   9          1HD       LYS   9   1.952  -8.144   5.592
   72    HD3  LYS   9          2HD       LYS   9   1.285  -7.215   6.940
   73    HE2  LYS   9          1HE       LYS   9   0.776  -9.611   7.133
   74    HE3  LYS   9          2HE       LYS   9  -0.689  -8.642   6.969
   75    HZ1  LYS   9          1HZ       LYS   9   0.640 -10.112   4.756
   76    HZ2  LYS   9          2HZ       LYS   9  -0.808  -9.244   4.645
   77    HZ3  LYS   9          3HZ       LYS   9  -0.731 -10.647   5.588
   78    H    GLU  10           H        GLU  10   0.888  -2.628   3.840
   79    HA   GLU  10           HA       GLU  10  -1.598  -2.252   5.243
   80    HB2  GLU  10          1HB       GLU  10   0.609  -0.331   4.491
   81    HB3  GLU  10          2HB       GLU  10  -0.845   0.161   5.355
   82    HG2  GLU  10          1HG       GLU  10  -0.288  -1.548   7.102
   83    HG3  GLU  10          2HG       GLU  10   1.248  -1.802   6.277
   84    H    LEU  11           H        LEU  11  -0.486  -1.839   1.980
   85    HA   LEU  11           HA       LEU  11  -2.839  -0.423   1.100
   86    HB2  LEU  11          1HB       LEU  11  -0.747  -0.393  -0.211
   87    HB3  LEU  11          2HB       LEU  11  -0.865  -2.125  -0.446
   88    HG   LEU  11           HG       LEU  11  -2.944  -1.794  -1.754
   89   HD11  LEU  11          1HD1      LEU  11  -3.582   0.453  -2.477
   90   HD12  LEU  11          2HD1      LEU  11  -2.351   1.147  -1.422
   91   HD13  LEU  11          3HD1      LEU  11  -3.720   0.276  -0.727
   92   HD21  LEU  11          1HD2      LEU  11  -1.887  -0.865  -3.741
   93   HD22  LEU  11          2HD2      LEU  11  -0.782  -1.936  -2.885
   94   HD23  LEU  11          3HD2      LEU  11  -0.593  -0.191  -2.754
   95    H    GLU  12           H        GLU  12  -1.713  -3.736   1.210
   96    HA   GLU  12           HA       GLU  12  -3.926  -5.119   0.225
   97    HB2  GLU  12          1HB       GLU  12  -1.771  -6.166   0.640
   98    HB3  GLU  12          2HB       GLU  12  -1.885  -5.810   2.354
   99    HG2  GLU  12          1HG       GLU  12  -3.855  -7.353   2.457
  100    HG3  GLU  12          2HG       GLU  12  -3.504  -7.807   0.788
  101    H    LYS  13           H        LYS  13  -3.230  -3.728   3.350
  102    HA   LYS  13           HA       LYS  13  -5.566  -4.807   4.652
  103    HB2  LYS  13          1HB       LYS  13  -3.532  -4.428   5.933
  104    HB3  LYS  13          2HB       LYS  13  -3.530  -2.728   5.487
  105    HG2  LYS  13          1HG       LYS  13  -5.647  -2.434   6.743
  106    HG3  LYS  13          2HG       LYS  13  -5.541  -4.118   7.259
  107    HD2  LYS  13          1HD       LYS  13  -3.425  -3.664   8.386
  108    HD3  LYS  13          2HD       LYS  13  -3.460  -1.994   7.815
  109    HE2  LYS  13          1HE       LYS  13  -5.501  -3.261   9.650
  110    HE3  LYS  13          2HE       LYS  13  -4.192  -2.191  10.156
  111    HZ1  LYS  13          1HZ       LYS  13  -6.328  -1.040   9.919
  112    HZ2  LYS  13          2HZ       LYS  13  -6.363  -1.424   8.272
  113    HZ3  LYS  13          3HZ       LYS  13  -5.153  -0.409   8.881
  114    H    ASN  14           H        ASN  14  -4.496  -1.632   3.466
  115    HA   ASN  14           HA       ASN  14  -7.285  -0.676   3.638
  116    HB2  ASN  14          1HB       ASN  14  -4.973   1.234   3.917
  117    HB3  ASN  14          2HB       ASN  14  -6.633   1.409   4.475
  118   HD21  ASN  14          1HD2      ASN  14  -3.783  -0.230   6.823
  119   HD22  ASN  14          2HD2      ASN  14  -3.489   0.208   5.178
  120    HA   PRO  15           HA       PRO  15  -6.030  -0.396  -0.780
  121    HB2  PRO  15          2HB       PRO  15  -8.977  -0.270  -1.108
  122    HB3  PRO  15          1HB       PRO  15  -7.801  -1.334  -1.890
  123    HG2  PRO  15          2HG       PRO  15  -9.474  -2.251  -0.008
  124    HG3  PRO  15          1HG       PRO  15  -7.811  -2.854  -0.141
  125    HD2  PRO  15          2HD       PRO  15  -8.960  -0.860   1.790
  126    HD3  PRO  15          1HD       PRO  15  -7.797  -2.173   2.082
  127    H    ASN  16           H        ASN  16  -5.204   1.682  -0.506
  128    HA   ASN  16           HA       ASN  16  -7.097   3.866  -1.067
  129    HB2  ASN  16          1HB       ASN  16  -6.596   4.013   1.314
  130    HB3  ASN  16          2HB       ASN  16  -4.869   3.916   0.993
  131   HD21  ASN  16          1HD2      ASN  16  -4.945   7.391   1.362
  132   HD22  ASN  16          2HD2      ASN  16  -4.530   5.868   2.071
  133    H    ASP  17           H        ASP  17  -6.392   5.328  -2.538
  134    HA   ASP  17           HA       ASP  17  -4.509   4.506  -4.424
  135    HB2  ASP  17          1HB       ASP  17  -5.708   7.247  -3.958
  136    HB3  ASP  17          2HB       ASP  17  -4.778   6.808  -5.386
  137    H    GLU  18           H        GLU  18  -4.199   6.877  -1.815
  138    HA   GLU  18           HA       GLU  18  -1.670   7.878  -2.421
  139    HB2  GLU  18          1HB       GLU  18  -3.244   7.587   0.114
  140    HB3  GLU  18          2HB       GLU  18  -1.567   8.098   0.214
  141    HG2  GLU  18          1HG       GLU  18  -3.386   9.900   0.133
  142    HG3  GLU  18          2HG       GLU  18  -1.970  10.099  -0.899
  143    H    ILE  19           H        ILE  19  -2.541   5.028  -0.476
  144    HA   ILE  19           HA       ILE  19   0.143   4.354   0.195
  145    HB   ILE  19           HB       ILE  19  -2.240   2.475   0.078
  146   HG12  ILE  19          1HG1      ILE  19  -2.764   4.439   1.466
  147   HG13  ILE  19          2HG1      ILE  19  -2.578   3.001   2.462
  148   HG21  ILE  19          1HG2      ILE  19  -0.114   1.317   0.269
  149   HG22  ILE  19          2HG2      ILE  19  -0.995   1.209   1.791
  150   HG23  ILE  19          3HG2      ILE  19   0.354   2.337   1.631
  151   HD11  ILE  19          1HD1      ILE  19  -1.548   4.935   3.503
  152   HD12  ILE  19          2HD1      ILE  19  -0.525   5.173   2.087
  153   HD13  ILE  19          3HD1      ILE  19  -0.328   3.733   3.085
  154    H    LYS  20           H        LYS  20  -2.093   3.362  -2.341
  155    HA   LYS  20           HA       LYS  20  -0.552   1.442  -3.658
  156    HB2  LYS  20          1HB       LYS  20  -2.899   1.837  -4.191
  157    HB3  LYS  20          2HB       LYS  20  -2.534   3.457  -4.761
  158    HG2  LYS  20          1HG       LYS  20  -2.892   2.033  -6.654
  159    HG3  LYS  20          2HG       LYS  20  -1.184   2.468  -6.592
  160    HD2  LYS  20          1HD       LYS  20  -0.625   0.302  -5.662
  161    HD3  LYS  20          2HD       LYS  20  -2.332  -0.130  -5.553
  162    HE2  LYS  20          1HE       LYS  20  -2.505   0.016  -8.009
  163    HE3  LYS  20          2HE       LYS  20  -0.787   0.406  -8.095
  164    HZ1  LYS  20          1HZ       LYS  20  -1.178  -1.927  -8.538
  165    HZ2  LYS  20          2HZ       LYS  20  -1.941  -2.122  -7.045
  166    HZ3  LYS  20          3HZ       LYS  20  -0.293  -1.747  -7.109
  167    H    LYS  21           H        LYS  21  -0.480   4.944  -3.741
  168    HA   LYS  21           HA       LYS  21   1.357   5.112  -5.964
  169    HB2  LYS  21          1HB       LYS  21  -0.392   6.820  -5.561
  170    HB3  LYS  21          2HB       LYS  21   0.380   7.243  -4.041
  171    HG2  LYS  21          1HG       LYS  21   0.908   8.865  -5.764
  172    HG3  LYS  21          2HG       LYS  21   2.360   8.012  -5.250
  173    HD2  LYS  21          1HD       LYS  21   2.236   8.332  -7.704
  174    HD3  LYS  21          2HD       LYS  21   2.317   6.635  -7.235
  175    HE2  LYS  21          1HE       LYS  21   0.681   7.101  -9.056
  176    HE3  LYS  21          2HE       LYS  21  -0.036   6.350  -7.634
  177    HZ1  LYS  21          1HZ       LYS  21  -1.303   8.247  -8.652
  178    HZ2  LYS  21          2HZ       LYS  21  -0.089   9.279  -8.079
  179    HZ3  LYS  21          3HZ       LYS  21  -1.010   8.373  -6.991
  180    H    LYS  22           H        LYS  22   1.516   5.156  -2.472
  181    HA   LYS  22           HA       LYS  22   4.245   6.085  -2.396
  182    HB2  LYS  22          1HB       LYS  22   2.312   5.130  -0.295
  183    HB3  LYS  22          2HB       LYS  22   4.009   5.404   0.087
  184    HG2  LYS  22          1HG       LYS  22   2.144   7.477  -1.076
  185    HG3  LYS  22          2HG       LYS  22   2.583   7.342   0.631
  186    HD2  LYS  22          1HD       LYS  22   4.886   7.826   0.153
  187    HD3  LYS  22          2HD       LYS  22   4.608   7.712  -1.585
  188    HE2  LYS  22          1HE       LYS  22   3.389   9.791   0.231
  189    HE3  LYS  22          2HE       LYS  22   4.807  10.040  -0.784
  190    HZ1  LYS  22          1HZ       LYS  22   3.389   9.482  -2.717
  191    HZ2  LYS  22          2HZ       LYS  22   2.914  10.890  -1.916
  192    HZ3  LYS  22          3HZ       LYS  22   2.043   9.462  -1.693
  193    H    LEU  23           H        LEU  23   2.655   3.036  -2.649
  194    HA   LEU  23           HA       LEU  23   4.688   1.327  -1.749
  195    HB2  LEU  23          1HB       LEU  23   2.271   0.808  -2.544
  196    HB3  LEU  23          2HB       LEU  23   2.960   0.736  -4.152
  197    HG   LEU  23           HG       LEU  23   3.919  -1.012  -1.874
  198   HD11  LEU  23          1HD1      LEU  23   2.562  -2.806  -2.863
  199   HD12  LEU  23          2HD1      LEU  23   1.853  -1.643  -3.984
  200   HD13  LEU  23          3HD1      LEU  23   1.570  -1.481  -2.251
  201   HD21  LEU  23          1HD2      LEU  23   5.514  -0.797  -3.700
  202   HD22  LEU  23          2HD2      LEU  23   4.267  -1.231  -4.870
  203   HD23  LEU  23          3HD2      LEU  23   4.817  -2.414  -3.683
  204    H    GLU  24           H        GLU  24   4.199   3.066  -4.752
  205    HA   GLU  24           HA       GLU  24   6.247   1.992  -6.328
  206    HB2  GLU  24          1HB       GLU  24   5.256   4.858  -6.266
  207    HB3  GLU  24          2HB       GLU  24   6.118   4.093  -7.593
  208    HG2  GLU  24          1HG       GLU  24   3.402   3.244  -6.596
  209    HG3  GLU  24          2HG       GLU  24   3.683   4.311  -7.970
  210    H    LYS  25           H        LYS  25   6.360   4.088  -3.598
  211    HA   LYS  25           HA       LYS  25   9.177   4.778  -4.126
  212    HB2  LYS  25          1HB       LYS  25   7.568   6.687  -4.170
  213    HB3  LYS  25          2HB       LYS  25   7.131   6.325  -2.507
  214    HG2  LYS  25          1HG       LYS  25   9.373   6.865  -1.765
  215    HG3  LYS  25          2HG       LYS  25   9.892   7.117  -3.433
  216    HD2  LYS  25          1HD       LYS  25   8.386   9.000  -3.661
  217    HD3  LYS  25          2HD       LYS  25   7.723   8.710  -2.052
  218    HE2  LYS  25          1HE       LYS  25   9.822   9.283  -1.023
  219    HE3  LYS  25          2HE       LYS  25  10.616   9.386  -2.596
  220    HZ1  LYS  25          1HZ       LYS  25   8.349  11.129  -1.811
  221    HZ2  LYS  25          2HZ       LYS  25   9.386  11.310  -3.137
  222    HZ3  LYS  25          3HZ       LYS  25   9.969  11.554  -1.569
  223    H    CYS  26           H        CYS  26   7.713   2.495  -2.636
  224    HA   CYS  26           HA       CYS  26   8.248   2.733   0.123
  225    HB2  CYS  26          2HB       CYS  26   7.964   0.328   0.214
  226    HB3  CYS  26          1HB       CYS  26   6.787   0.988  -0.918
  227    H    GLN  27           H        GLN  27  10.217   1.950  -2.607
  228    HA   GLN  27           HA       GLN  27  12.555   1.491  -0.876
  229    HB2  GLN  27          1HB       GLN  27  13.404   0.001  -2.739
  230    HB3  GLN  27          2HB       GLN  27  12.014  -0.622  -1.859
  231    HG2  GLN  27          1HG       GLN  27  10.575   0.329  -3.714
  232    HG3  GLN  27          2HG       GLN  27  12.069   0.595  -4.608
  233   HE21  GLN  27          1HE2      GLN  27  10.494  -3.123  -4.214
  234   HE22  GLN  27          2HE2      GLN  27   9.889  -1.779  -3.310
  235    H    ALA  28           H        ALA  28  13.692   3.312  -0.990
  236    HA   ALA  28           HA       ALA  28  13.712   4.972  -3.348
  237    HB1  ALA  28          1HB       ALA  28  15.277   5.242  -0.772
  238    HB2  ALA  28          2HB       ALA  28  13.707   5.974  -1.104
  239    HB3  ALA  28          3HB       ALA  28  15.124   6.467  -2.031
  Start of MODEL   10
    1    H1   ALA   1          1H        ALA   1  11.621   6.412   0.861
    2    H2   ALA   1          2H        ALA   1  12.717   5.165   0.554
    3    H3   ALA   1          3H        ALA   1  12.573   5.793   2.116
    4    HA   ALA   1           HA       ALA   1  10.369   4.938   2.329
    5    HB1  ALA   1          1HB       ALA   1   9.733   5.230  -0.033
    6    HB2  ALA   1          2HB       ALA   1   9.345   3.618   0.566
    7    HB3  ALA   1          3HB       ALA   1  10.755   3.862  -0.465
    8    H    GLU   2           H        GLU   2  10.657   3.338   3.774
    9    HA   GLU   2           HA       GLU   2  13.040   1.676   3.453
   10    HB2  GLU   2          1HB       GLU   2  11.373   1.877   5.949
   11    HB3  GLU   2          2HB       GLU   2  13.058   1.417   5.800
   12    HG2  GLU   2          1HG       GLU   2  11.881   4.170   5.465
   13    HG3  GLU   2          2HG       GLU   2  12.933   3.606   6.760
   14    H    ASP   3           H        ASP   3  10.028   0.979   5.165
   15    HA   ASP   3           HA       ASP   3  10.363  -1.826   4.517
   16    HB2  ASP   3          1HB       ASP   3   8.231  -0.503   6.224
   17    HB3  ASP   3          2HB       ASP   3   8.585  -2.225   6.141
   18    H    CYS   4           H        CYS   4   9.943  -1.366   2.189
   19    HA   CYS   4           HA       CYS   4   7.498  -0.442   1.209
   20    HB2  CYS   4          2HB       CYS   4   9.422  -2.396  -0.064
   21    HB3  CYS   4          1HB       CYS   4   8.139  -1.533  -0.908
   22    H    GLU   5           H        GLU   5   8.504  -3.793   1.911
   23    HA   GLU   5           HA       GLU   5   6.094  -4.938   0.939
   24    HB2  GLU   5          1HB       GLU   5   8.152  -6.046   2.858
   25    HB3  GLU   5          2HB       GLU   5   6.819  -6.981   2.182
   26    HG2  GLU   5          1HG       GLU   5   7.692  -6.453  -0.093
   27    HG3  GLU   5          2HG       GLU   5   9.089  -5.701   0.670
   28    H    ARG   6           H        ARG   6   7.010  -3.538   4.012
   29    HA   ARG   6           HA       ARG   6   4.722  -4.476   5.432
   30    HB2  ARG   6          1HB       ARG   6   6.682  -3.584   6.636
   31    HB3  ARG   6          2HB       ARG   6   6.382  -1.993   5.942
   32    HG2  ARG   6          1HG       ARG   6   5.547  -2.099   8.224
   33    HG3  ARG   6          2HG       ARG   6   4.216  -1.890   7.086
   34    HD2  ARG   6          1HD       ARG   6   4.143  -4.532   7.197
   35    HD3  ARG   6          2HD       ARG   6   4.950  -4.268   8.742
   36    HE   ARG   6           HE       ARG   6   2.431  -2.876   8.143
   37   HH11  ARG   6          1HH1      ARG   6   4.235  -5.135  10.130
   38   HH12  ARG   6          2HH1      ARG   6   2.944  -5.331  11.276
   39   HH21  ARG   6          1HH2      ARG   6   0.761  -3.125   9.642
   40   HH22  ARG   6          2HH2      ARG   6   0.981  -4.164  11.023
   41    H    ILE   7           H        ILE   7   5.444  -1.577   3.515
   42    HA   ILE   7           HA       ILE   7   2.947  -0.299   3.813
   43    HB   ILE   7           HB       ILE   7   4.766  -0.252   1.388
   44   HG12  ILE   7          1HG1      ILE   7   4.680   1.637   3.764
   45   HG13  ILE   7          2HG1      ILE   7   5.909   0.404   3.501
   46   HG21  ILE   7          1HG2      ILE   7   2.531   0.595   0.889
   47   HG22  ILE   7          2HG2      ILE   7   3.708   1.908   0.886
   48   HG23  ILE   7          3HG2      ILE   7   2.626   1.694   2.264
   49   HD11  ILE   7          1HD1      ILE   7   6.718   2.593   2.858
   50   HD12  ILE   7          2HD1      ILE   7   5.380   2.777   1.723
   51   HD13  ILE   7          3HD1      ILE   7   6.603   1.532   1.453
   52    H    ARG   8           H        ARG   8   4.107  -2.763   1.584
   53    HA   ARG   8           HA       ARG   8   1.884  -3.157  -0.023
   54    HB2  ARG   8          1HB       ARG   8   4.099  -4.323  -0.243
   55    HB3  ARG   8          2HB       ARG   8   3.659  -5.316   1.144
   56    HG2  ARG   8          1HG       ARG   8   1.770  -6.236  -0.108
   57    HG3  ARG   8          2HG       ARG   8   2.212  -5.249  -1.502
   58    HD2  ARG   8          1HD       ARG   8   3.957  -7.371  -0.232
   59    HD3  ARG   8          2HD       ARG   8   3.017  -7.571  -1.710
   60    HE   ARG   8           HE       ARG   8   4.479  -5.517  -2.427
   61   HH11  ARG   8          1HH1      ARG   8   5.496  -8.340  -0.631
   62   HH12  ARG   8          2HH1      ARG   8   7.122  -8.293  -1.231
   63   HH21  ARG   8          1HH2      ARG   8   6.635  -5.460  -3.228
   64   HH22  ARG   8          2HH2      ARG   8   7.761  -6.670  -2.703
   65    H    LYS   9           H        LYS   9   2.675  -4.635   3.105
   66    HA   LYS   9           HA       LYS   9   0.303  -6.033   3.517
   67    HB2  LYS   9          1HB       LYS   9   2.477  -4.991   5.250
   68    HB3  LYS   9          2HB       LYS   9   0.966  -5.370   6.063
   69    HG2  LYS   9          1HG       LYS   9   2.564  -7.282   4.360
   70    HG3  LYS   9          2HG       LYS   9   2.542  -7.237   6.126
   71    HD2  LYS   9          1HD       LYS   9  -0.018  -7.523   5.888
   72    HD3  LYS   9          2HD       LYS   9   0.337  -8.014   4.231
   73    HE2  LYS   9          1HE       LYS   9   0.153  -9.957   5.685
   74    HE3  LYS   9          2HE       LYS   9   1.801  -9.791   5.078
   75    HZ1  LYS   9          1HZ       LYS   9   1.634 -10.322   7.485
   76    HZ2  LYS   9          2HZ       LYS   9   0.928  -8.807   7.736
   77    HZ3  LYS   9          3HZ       LYS   9   2.509  -8.917   7.153
   78    H    GLU  10           H        GLU  10   1.141  -2.693   4.363
   79    HA   GLU  10           HA       GLU  10  -1.257  -2.110   5.744
   80    HB2  GLU  10          1HB       GLU  10   0.656  -0.208   4.355
   81    HB3  GLU  10          2HB       GLU  10  -0.594   0.261   5.501
   82    HG2  GLU  10          1HG       GLU  10   1.847  -1.413   6.064
   83    HG3  GLU  10          2HG       GLU  10   1.533   0.232   6.612
   84    H    LEU  11           H        LEU  11  -0.373  -2.070   2.370
   85    HA   LEU  11           HA       LEU  11  -2.705  -0.617   1.513
   86    HB2  LEU  11          1HB       LEU  11  -0.586  -0.598   0.232
   87    HB3  LEU  11          2HB       LEU  11  -0.773  -2.314  -0.081
   88    HG   LEU  11           HG       LEU  11  -2.842  -1.850  -1.350
   89   HD11  LEU  11          1HD1      LEU  11  -3.453   0.428  -1.928
   90   HD12  LEU  11          2HD1      LEU  11  -2.155   1.054  -0.910
   91   HD13  LEU  11          3HD1      LEU  11  -3.513   0.193  -0.185
   92   HD21  LEU  11          1HD2      LEU  11  -0.447  -0.270  -2.287
   93   HD22  LEU  11          2HD2      LEU  11  -1.779  -0.829  -3.298
   94   HD23  LEU  11          3HD2      LEU  11  -0.708  -1.998  -2.528
   95    H    GLU  12           H        GLU  12  -1.749  -3.953   1.905
   96    HA   GLU  12           HA       GLU  12  -3.890  -5.203   0.574
   97    HB2  GLU  12          1HB       GLU  12  -1.829  -6.363   1.241
   98    HB3  GLU  12          2HB       GLU  12  -2.235  -6.142   2.936
   99    HG2  GLU  12          1HG       GLU  12  -4.189  -7.567   2.669
  100    HG3  GLU  12          2HG       GLU  12  -3.826  -7.755   0.954
  101    H    LYS  13           H        LYS  13  -3.453  -4.030   3.854
  102    HA   LYS  13           HA       LYS  13  -6.085  -4.836   4.728
  103    HB2  LYS  13          1HB       LYS  13  -4.175  -4.790   6.283
  104    HB3  LYS  13          2HB       LYS  13  -3.999  -3.061   6.038
  105    HG2  LYS  13          1HG       LYS  13  -6.611  -4.094   7.050
  106    HG3  LYS  13          2HG       LYS  13  -5.237  -4.051   8.153
  107    HD2  LYS  13          1HD       LYS  13  -6.336  -1.685   6.615
  108    HD3  LYS  13          2HD       LYS  13  -6.614  -2.020   8.325
  109    HE2  LYS  13          1HE       LYS  13  -4.193  -1.841   8.735
  110    HE3  LYS  13          2HE       LYS  13  -3.937  -1.476   7.030
  111    HZ1  LYS  13          1HZ       LYS  13  -5.448   0.163   8.988
  112    HZ2  LYS  13          2HZ       LYS  13  -5.369   0.495   7.335
  113    HZ3  LYS  13          3HZ       LYS  13  -3.966   0.550   8.276
  114    H    ASN  14           H        ASN  14  -4.468  -1.846   3.767
  115    HA   ASN  14           HA       ASN  14  -7.064  -0.434   3.798
  116    HB2  ASN  14          1HB       ASN  14  -5.627   0.378   5.604
  117    HB3  ASN  14          2HB       ASN  14  -4.308   0.644   4.469
  118   HD21  ASN  14          1HD2      ASN  14  -5.330   3.962   4.458
  119   HD22  ASN  14          2HD2      ASN  14  -4.140   2.803   4.933
  120    HA   PRO  15           HA       PRO  15  -5.590  -0.121  -0.505
  121    HB2  PRO  15          2HB       PRO  15  -7.957  -0.409  -1.713
  122    HB3  PRO  15          1HB       PRO  15  -7.140  -1.788  -0.968
  123    HG2  PRO  15          2HG       PRO  15  -9.429  -0.162   0.062
  124    HG3  PRO  15          1HG       PRO  15  -9.162  -1.910   0.163
  125    HD2  PRO  15          2HD       PRO  15  -8.629  -0.073   2.193
  126    HD3  PRO  15          1HD       PRO  15  -7.956  -1.712   2.091
  127    H    ASN  16           H        ASN  16  -4.990   1.940  -0.925
  128    HA   ASN  16           HA       ASN  16  -7.026   3.869  -1.677
  129    HB2  ASN  16          1HB       ASN  16  -5.153   4.285   0.646
  130    HB3  ASN  16          2HB       ASN  16  -5.649   5.663  -0.328
  131   HD21  ASN  16          1HD2      ASN  16  -8.218   3.939   2.296
  132   HD22  ASN  16          2HD2      ASN  16  -6.676   3.243   1.950
  133    H    ASP  17           H        ASP  17  -6.315   5.239  -3.299
  134    HA   ASP  17           HA       ASP  17  -4.245   4.305  -4.909
  135    HB2  ASP  17          1HB       ASP  17  -5.686   6.952  -4.876
  136    HB3  ASP  17          2HB       ASP  17  -4.437   6.596  -6.063
  137    H    GLU  18           H        GLU  18  -4.207   6.978  -2.588
  138    HA   GLU  18           HA       GLU  18  -1.673   7.982  -3.128
  139    HB2  GLU  18          1HB       GLU  18  -3.254   9.059  -1.569
  140    HB3  GLU  18          2HB       GLU  18  -3.028   7.738  -0.427
  141    HG2  GLU  18          1HG       GLU  18  -0.665   8.335  -0.202
  142    HG3  GLU  18          2HG       GLU  18  -0.894   9.656  -1.347
  143    H    ILE  19           H        ILE  19  -2.562   5.542  -0.676
  144    HA   ILE  19           HA       ILE  19   0.050   4.842   0.074
  145    HB   ILE  19           HB       ILE  19  -2.412   3.074   0.124
  146   HG12  ILE  19          1HG1      ILE  19  -2.827   5.185   1.293
  147   HG13  ILE  19          2HG1      ILE  19  -2.692   3.869   2.452
  148   HG21  ILE  19          1HG2      ILE  19  -1.263   1.906   1.968
  149   HG22  ILE  19          2HG2      ILE  19   0.160   2.914   1.702
  150   HG23  ILE  19          3HG2      ILE  19  -0.373   1.796   0.448
  151   HD11  ILE  19          1HD1      ILE  19  -0.549   5.885   1.809
  152   HD12  ILE  19          2HD1      ILE  19  -0.406   4.566   2.969
  153   HD13  ILE  19          3HD1      ILE  19  -1.568   5.863   3.248
  154    H    LYS  20           H        LYS  20  -2.038   3.683  -2.499
  155    HA   LYS  20           HA       LYS  20  -0.615   1.437  -3.346
  156    HB2  LYS  20          1HB       LYS  20  -2.407   3.389  -4.792
  157    HB3  LYS  20          2HB       LYS  20  -1.651   2.051  -5.645
  158    HG2  LYS  20          1HG       LYS  20  -2.834   0.445  -4.371
  159    HG3  LYS  20          2HG       LYS  20  -3.351   1.653  -3.193
  160    HD2  LYS  20          1HD       LYS  20  -5.180   1.021  -4.700
  161    HD3  LYS  20          2HD       LYS  20  -4.757   2.722  -4.877
  162    HE2  LYS  20          1HE       LYS  20  -3.424   2.142  -6.882
  163    HE3  LYS  20          2HE       LYS  20  -3.952   0.464  -6.717
  164    HZ1  LYS  20          1HZ       LYS  20  -6.250   1.236  -6.952
  165    HZ2  LYS  20          2HZ       LYS  20  -5.319   1.608  -8.312
  166    HZ3  LYS  20          3HZ       LYS  20  -5.700   2.817  -7.194
  167    H    LYS  21           H        LYS  21  -0.237   4.863  -4.267
  168    HA   LYS  21           HA       LYS  21   2.016   4.217  -5.959
  169    HB2  LYS  21          1HB       LYS  21   0.687   6.808  -5.222
  170    HB3  LYS  21          2HB       LYS  21   2.226   6.782  -6.078
  171    HG2  LYS  21          1HG       LYS  21   0.946   5.116  -7.669
  172    HG3  LYS  21          2HG       LYS  21  -0.478   5.922  -7.005
  173    HD2  LYS  21          1HD       LYS  21   0.193   8.025  -7.856
  174    HD3  LYS  21          2HD       LYS  21   1.839   7.462  -8.163
  175    HE2  LYS  21          1HE       LYS  21  -0.667   6.632  -9.634
  176    HE3  LYS  21          2HE       LYS  21   0.662   7.609 -10.262
  177    HZ1  LYS  21          1HZ       LYS  21   2.129   5.643  -9.868
  178    HZ2  LYS  21          2HZ       LYS  21   0.949   5.406 -11.056
  179    HZ3  LYS  21          3HZ       LYS  21   0.743   4.735  -9.520
  180    H    LYS  22           H        LYS  22   1.569   5.272  -2.659
  181    HA   LYS  22           HA       LYS  22   4.279   6.017  -2.210
  182    HB2  LYS  22          1HB       LYS  22   2.247   4.943  -0.232
  183    HB3  LYS  22          2HB       LYS  22   3.782   5.686   0.195
  184    HG2  LYS  22          1HG       LYS  22   1.458   7.029  -1.175
  185    HG3  LYS  22          2HG       LYS  22   1.959   7.252   0.498
  186    HD2  LYS  22          1HD       LYS  22   3.716   7.910  -1.871
  187    HD3  LYS  22          2HD       LYS  22   2.642   9.078  -1.104
  188    HE2  LYS  22          1HE       LYS  22   4.780   9.448  -0.165
  189    HE3  LYS  22          2HE       LYS  22   3.859   8.590   1.066
  190    HZ1  LYS  22          1HZ       LYS  22   5.796   7.312  -0.789
  191    HZ2  LYS  22          2HZ       LYS  22   4.990   6.562   0.493
  192    HZ3  LYS  22          3HZ       LYS  22   6.137   7.758   0.802
  193    H    LEU  23           H        LEU  23   2.576   3.006  -2.423
  194    HA   LEU  23           HA       LEU  23   4.794   1.394  -1.511
  195    HB2  LEU  23          1HB       LEU  23   2.524   0.565  -1.223
  196    HB3  LEU  23          2HB       LEU  23   2.224   0.698  -2.948
  197    HG   LEU  23           HG       LEU  23   3.884  -1.081  -3.368
  198   HD11  LEU  23          1HD1      LEU  23   5.334  -0.723  -1.446
  199   HD12  LEU  23          2HD1      LEU  23   4.779  -2.395  -1.518
  200   HD13  LEU  23          3HD1      LEU  23   4.053  -1.274  -0.364
  201   HD21  LEU  23          1HD2      LEU  23   1.755  -1.847  -1.376
  202   HD22  LEU  23          2HD2      LEU  23   2.567  -2.938  -2.497
  203   HD23  LEU  23          3HD2      LEU  23   1.525  -1.656  -3.115
  204    H    GLU  24           H        GLU  24   3.288   2.269  -4.590
  205    HA   GLU  24           HA       GLU  24   4.784   0.848  -6.401
  206    HB2  GLU  24          1HB       GLU  24   2.911   2.269  -7.064
  207    HB3  GLU  24          2HB       GLU  24   3.800   3.712  -6.602
  208    HG2  GLU  24          1HG       GLU  24   5.452   3.219  -8.379
  209    HG3  GLU  24          2HG       GLU  24   4.471   1.839  -8.868
  210    H    LYS  25           H        LYS  25   5.523   4.172  -5.336
  211    HA   LYS  25           HA       LYS  25   8.189   3.978  -6.463
  212    HB2  LYS  25          1HB       LYS  25   6.753   6.250  -5.074
  213    HB3  LYS  25          2HB       LYS  25   8.373   6.368  -5.746
  214    HG2  LYS  25          1HG       LYS  25   5.814   5.854  -7.256
  215    HG3  LYS  25          2HG       LYS  25   6.818   7.305  -7.311
  216    HD2  LYS  25          1HD       LYS  25   7.621   4.543  -8.255
  217    HD3  LYS  25          2HD       LYS  25   7.194   5.908  -9.288
  218    HE2  LYS  25          1HE       LYS  25   9.136   7.132  -8.585
  219    HE3  LYS  25          2HE       LYS  25   9.503   5.939  -7.339
  220    HZ1  LYS  25          1HZ       LYS  25   9.544   5.421 -10.266
  221    HZ2  LYS  25          2HZ       LYS  25   9.936   4.312  -9.050
  222    HZ3  LYS  25          3HZ       LYS  25  10.907   5.673  -9.294
  223    H    CYS  26           H        CYS  26   7.360   2.420  -4.033
  224    HA   CYS  26           HA       CYS  26   9.446   3.340  -2.189
  225    HB2  CYS  26          2HB       CYS  26   7.212   2.658  -1.272
  226    HB3  CYS  26          1HB       CYS  26   7.512   1.029  -1.865
  227    H    GLN  27           H        GLN  27   8.610   0.849  -4.466
  228    HA   GLN  27           HA       GLN  27  11.247  -0.417  -4.090
  229    HB2  GLN  27          1HB       GLN  27  10.191  -2.600  -4.530
  230    HB3  GLN  27          2HB       GLN  27   9.531  -1.833  -3.091
  231    HG2  GLN  27          1HG       GLN  27   7.658  -0.989  -4.616
  232    HG3  GLN  27          2HG       GLN  27   8.256  -2.159  -5.790
  233   HE21  GLN  27          1HE2      GLN  27   5.510  -3.525  -3.600
  234   HE22  GLN  27          2HE2      GLN  27   5.699  -2.027  -4.434
  235    H    ALA  28           H        ALA  28   8.943   0.927  -6.232
  236    HA   ALA  28           HA       ALA  28  10.312  -0.187  -8.586
  237    HB1  ALA  28          1HB       ALA  28   7.588   1.119  -8.422
  238    HB2  ALA  28          2HB       ALA  28   7.891  -0.617  -8.507
  239    HB3  ALA  28          3HB       ALA  28   8.324   0.420  -9.865
  Start of MODEL   11
    1    H1   ALA   1          1H        ALA   1  11.931   3.867  -2.226
    2    H2   ALA   1          2H        ALA   1  12.289   4.741  -0.826
    3    H3   ALA   1          3H        ALA   1  11.231   5.387  -1.973
    4    HA   ALA   1           HA       ALA   1   9.997   4.585  -0.106
    5    HB1  ALA   1          1HB       ALA   1   8.469   3.066  -1.272
    6    HB2  ALA   1          2HB       ALA   1   9.685   2.790  -2.519
    7    HB3  ALA   1          3HB       ALA   1   8.972   4.391  -2.320
    8    H    GLU   2           H        GLU   2  10.703   3.618   1.682
    9    HA   GLU   2           HA       GLU   2  11.748   0.865   1.505
   10    HB2  GLU   2          1HB       GLU   2  12.185   2.993   3.619
   11    HB3  GLU   2          2HB       GLU   2  12.699   1.320   3.792
   12    HG2  GLU   2          1HG       GLU   2  14.605   2.525   3.127
   13    HG3  GLU   2          2HG       GLU   2  14.074   1.630   1.708
   14    H    ASP   3           H        ASP   3  11.325  -0.256   3.817
   15    HA   ASP   3           HA       ASP   3   9.767  -1.462   4.939
   16    HB2  ASP   3          1HB       ASP   3   8.483   1.277   5.096
   17    HB3  ASP   3          2HB       ASP   3   7.903  -0.124   5.985
   18    H    CYS   4           H        CYS   4   9.623  -1.412   2.130
   19    HA   CYS   4           HA       CYS   4   7.225  -0.880   0.915
   20    HB2  CYS   4          2HB       CYS   4   9.177  -3.118   0.340
   21    HB3  CYS   4          1HB       CYS   4   7.908  -2.588  -0.762
   22    H    GLU   5           H        GLU   5   8.087  -3.778   2.760
   23    HA   GLU   5           HA       GLU   5   5.788  -5.245   1.914
   24    HB2  GLU   5          1HB       GLU   5   7.541  -5.754   4.328
   25    HB3  GLU   5          2HB       GLU   5   6.452  -6.903   3.558
   26    HG2  GLU   5          1HG       GLU   5   9.049  -5.803   2.528
   27    HG3  GLU   5          2HG       GLU   5   8.592  -7.485   2.798
   28    H    ARG   6           H        ARG   6   6.585  -3.301   4.740
   29    HA   ARG   6           HA       ARG   6   4.237  -3.698   6.226
   30    HB2  ARG   6          1HB       ARG   6   6.373  -2.433   6.895
   31    HB3  ARG   6          2HB       ARG   6   5.716  -1.065   6.006
   32    HG2  ARG   6          1HG       ARG   6   3.676  -1.241   7.499
   33    HG3  ARG   6          2HG       ARG   6   4.609  -2.373   8.481
   34    HD2  ARG   6          1HD       ARG   6   5.166   0.541   7.953
   35    HD3  ARG   6          2HD       ARG   6   4.861  -0.247   9.500
   36    HE   ARG   6           HE       ARG   6   7.321  -0.618   7.904
   37   HH11  ARG   6          1HH1      ARG   6   5.677  -0.506  10.989
   38   HH12  ARG   6          2HH1      ARG   6   7.144  -0.508  11.910
   39   HH21  ARG   6          1HH2      ARG   6   9.250  -0.619   9.103
   40   HH22  ARG   6          2HH2      ARG   6   9.187  -0.556  10.837
   41    H    ILE   7           H        ILE   7   5.077  -1.323   3.752
   42    HA   ILE   7           HA       ILE   7   2.637   0.040   3.540
   43    HB   ILE   7           HB       ILE   7   4.676  -0.530   1.367
   44   HG12  ILE   7          1HG1      ILE   7   4.442   1.862   3.220
   45   HG13  ILE   7          2HG1      ILE   7   5.644   0.584   3.366
   46   HG21  ILE   7          1HG2      ILE   7   2.579   1.638   1.511
   47   HG22  ILE   7          2HG2      ILE   7   2.543   0.231   0.447
   48   HG23  ILE   7          3HG2      ILE   7   3.796   1.455   0.247
   49   HD11  ILE   7          1HD1      ILE   7   6.544   1.213   1.168
   50   HD12  ILE   7          2HD1      ILE   7   6.611   2.536   2.331
   51   HD13  ILE   7          3HD1      ILE   7   5.369   2.523   1.078
   52    H    ARG   8           H        ARG   8   3.835  -2.882   1.979
   53    HA   ARG   8           HA       ARG   8   1.805  -3.226   0.076
   54    HB2  ARG   8          1HB       ARG   8   4.080  -4.416   0.254
   55    HB3  ARG   8          2HB       ARG   8   3.300  -5.496   1.401
   56    HG2  ARG   8          1HG       ARG   8   1.667  -6.125  -0.330
   57    HG3  ARG   8          2HG       ARG   8   2.498  -5.070  -1.477
   58    HD2  ARG   8          1HD       ARG   8   3.531  -7.582  -0.170
   59    HD3  ARG   8          2HD       ARG   8   3.283  -7.278  -1.888
   60    HE   ARG   8           HE       ARG   8   5.528  -6.408  -0.244
   61   HH11  ARG   8          1HH1      ARG   8   3.886  -6.131  -3.339
   62   HH12  ARG   8          2HH1      ARG   8   5.307  -5.574  -4.171
   63   HH21  ARG   8          1HH2      ARG   8   7.363  -5.629  -1.326
   64   HH22  ARG   8          2HH2      ARG   8   7.278  -5.265  -3.027
   65    H    LYS   9           H        LYS   9   2.148  -4.408   3.389
   66    HA   LYS   9           HA       LYS   9  -0.264  -5.928   3.357
   67    HB2  LYS   9          1HB       LYS   9   1.422  -4.916   5.655
   68    HB3  LYS   9          2HB       LYS   9   0.048  -5.998   5.851
   69    HG2  LYS   9          1HG       LYS   9   2.560  -6.587   4.285
   70    HG3  LYS   9          2HG       LYS   9   2.154  -7.223   5.881
   71    HD2  LYS   9          1HD       LYS   9   0.217  -8.384   4.943
   72    HD3  LYS   9          2HD       LYS   9   0.567  -7.710   3.349
   73    HE2  LYS   9          1HE       LYS   9   2.720  -8.899   3.333
   74    HE3  LYS   9          2HE       LYS   9   2.348  -9.583   4.916
   75    HZ1  LYS   9          1HZ       LYS   9   1.856 -11.116   3.086
   76    HZ2  LYS   9          2HZ       LYS   9   0.738 -10.016   2.461
   77    HZ3  LYS   9          3HZ       LYS   9   0.469 -10.726   3.971
   78    H    GLU  10           H        GLU  10   0.543  -2.660   4.538
   79    HA   GLU  10           HA       GLU  10  -1.956  -2.089   5.660
   80    HB2  GLU  10          1HB       GLU  10   0.181  -0.706   5.852
   81    HB3  GLU  10          2HB       GLU  10  -0.214  -0.044   4.266
   82    HG2  GLU  10          1HG       GLU  10  -2.446   0.611   5.236
   83    HG3  GLU  10          2HG       GLU  10  -1.791   0.177   6.811
   84    H    LEU  11           H        LEU  11  -0.769  -1.895   2.367
   85    HA   LEU  11           HA       LEU  11  -3.100  -0.599   1.312
   86    HB2  LEU  11          1HB       LEU  11  -0.726  -0.569   0.350
   87    HB3  LEU  11          2HB       LEU  11  -1.047  -2.183  -0.245
   88    HG   LEU  11           HG       LEU  11  -1.315  -0.241  -1.887
   89   HD11  LEU  11          1HD1      LEU  11  -2.152  -2.481  -2.370
   90   HD12  LEU  11          2HD1      LEU  11  -3.218  -1.233  -3.014
   91   HD13  LEU  11          3HD1      LEU  11  -3.662  -2.099  -1.543
   92   HD21  LEU  11          1HD2      LEU  11  -3.451   0.942  -1.851
   93   HD22  LEU  11          2HD2      LEU  11  -2.515   1.283  -0.399
   94   HD23  LEU  11          3HD2      LEU  11  -3.873   0.161  -0.331
   95    H    GLU  12           H        GLU  12  -1.968  -3.895   1.671
   96    HA   GLU  12           HA       GLU  12  -3.815  -5.258   0.102
   97    HB2  GLU  12          1HB       GLU  12  -1.856  -6.320   1.112
   98    HB3  GLU  12          2HB       GLU  12  -2.528  -6.078   2.718
   99    HG2  GLU  12          1HG       GLU  12  -4.375  -7.587   2.173
  100    HG3  GLU  12          2HG       GLU  12  -3.699  -7.824   0.563
  101    H    LYS  13           H        LYS  13  -4.028  -4.126   3.444
  102    HA   LYS  13           HA       LYS  13  -6.740  -5.073   3.763
  103    HB2  LYS  13          1HB       LYS  13  -5.261  -5.026   5.704
  104    HB3  LYS  13          2HB       LYS  13  -5.036  -3.289   5.523
  105    HG2  LYS  13          1HG       LYS  13  -7.443  -2.955   5.954
  106    HG3  LYS  13          2HG       LYS  13  -7.623  -4.694   6.195
  107    HD2  LYS  13          1HD       LYS  13  -6.093  -4.604   8.092
  108    HD3  LYS  13          2HD       LYS  13  -5.848  -2.875   7.831
  109    HE2  LYS  13          1HE       LYS  13  -8.453  -4.217   8.561
  110    HE3  LYS  13          2HE       LYS  13  -7.437  -3.262   9.640
  111    HZ1  LYS  13          1HZ       LYS  13  -8.828  -2.257   7.214
  112    HZ2  LYS  13          2HZ       LYS  13  -7.825  -1.338   8.212
  113    HZ3  LYS  13          3HZ       LYS  13  -9.277  -1.954   8.815
  114    H    ASN  14           H        ASN  14  -5.231  -1.833   3.811
  115    HA   ASN  14           HA       ASN  14  -7.871  -0.638   3.310
  116    HB2  ASN  14          1HB       ASN  14  -5.308   0.645   4.303
  117    HB3  ASN  14          2HB       ASN  14  -6.854   1.465   4.108
  118   HD21  ASN  14          1HD2      ASN  14  -6.220   0.332   7.646
  119   HD22  ASN  14          2HD2      ASN  14  -5.223   1.124   6.480
  120    HA   PRO  15           HA       PRO  15  -6.380   0.263  -0.807
  121    HB2  PRO  15          2HB       PRO  15  -8.821   1.643  -1.413
  122    HB3  PRO  15          1HB       PRO  15  -8.388  -0.018  -1.815
  123    HG2  PRO  15          2HG       PRO  15 -10.382   0.720  -0.031
  124    HG3  PRO  15          1HG       PRO  15  -9.601  -0.869  -0.086
  125    HD2  PRO  15          2HD       PRO  15  -9.078   1.443   1.743
  126    HD3  PRO  15          1HD       PRO  15  -9.069  -0.302   2.090
  127    H    ASN  16           H        ASN  16  -5.199   1.974   0.934
  128    HA   ASN  16           HA       ASN  16  -6.048   4.700   0.611
  129    HB2  ASN  16          1HB       ASN  16  -3.470   3.547   1.710
  130    HB3  ASN  16          2HB       ASN  16  -3.903   5.253   1.769
  131   HD21  ASN  16          1HD2      ASN  16  -4.780   3.426   4.945
  132   HD22  ASN  16          2HD2      ASN  16  -3.361   3.434   3.959
  133    H    ASP  17           H        ASP  17  -5.422   6.168  -0.857
  134    HA   ASP  17           HA       ASP  17  -4.353   5.325  -3.314
  135    HB2  ASP  17          1HB       ASP  17  -4.517   8.171  -2.279
  136    HB3  ASP  17          2HB       ASP  17  -4.362   7.682  -3.963
  137    H    GLU  18           H        GLU  18  -2.921   7.581  -0.953
  138    HA   GLU  18           HA       GLU  18  -0.418   7.880  -2.060
  139    HB2  GLU  18          1HB       GLU  18  -1.347   7.873   0.806
  140    HB3  GLU  18          2HB       GLU  18   0.336   8.174   0.399
  141    HG2  GLU  18          1HG       GLU  18  -1.947   9.776  -0.728
  142    HG3  GLU  18          2HG       GLU  18  -1.079  10.212   0.744
  143    H    ILE  19           H        ILE  19  -1.505   5.346   0.147
  144    HA   ILE  19           HA       ILE  19   1.005   4.096   0.469
  145    HB   ILE  19           HB       ILE  19  -1.777   2.933   0.770
  146   HG12  ILE  19          1HG1      ILE  19  -1.356   4.882   2.218
  147   HG13  ILE  19          2HG1      ILE  19  -1.463   3.404   3.168
  148   HG21  ILE  19          1HG2      ILE  19  -0.106   1.169   0.524
  149   HG22  ILE  19          2HG2      ILE  19  -0.727   1.220   2.172
  150   HG23  ILE  19          3HG2      ILE  19   0.864   1.889   1.811
  151   HD11  ILE  19          1HD1      ILE  19   0.968   3.332   3.343
  152   HD12  ILE  19          2HD1      ILE  19   0.326   4.855   3.954
  153   HD13  ILE  19          3HD1      ILE  19   1.087   4.792   2.367
  154    H    LYS  20           H        LYS  20  -1.684   3.524  -1.777
  155    HA   LYS  20           HA       LYS  20  -0.623   1.271  -3.079
  156    HB2  LYS  20          1HB       LYS  20  -2.955   1.892  -3.350
  157    HB3  LYS  20          2HB       LYS  20  -2.502   3.425  -4.084
  158    HG2  LYS  20          1HG       LYS  20  -3.258   1.876  -5.779
  159    HG3  LYS  20          2HG       LYS  20  -1.541   2.221  -5.998
  160    HD2  LYS  20          1HD       LYS  20  -1.039   0.082  -4.779
  161    HD3  LYS  20          2HD       LYS  20  -2.770  -0.266  -4.791
  162    HE2  LYS  20          1HE       LYS  20  -0.989   0.093  -7.206
  163    HE3  LYS  20          2HE       LYS  20  -1.662  -1.427  -6.618
  164    HZ1  LYS  20          1HZ       LYS  20  -2.942  -0.600  -8.464
  165    HZ2  LYS  20          2HZ       LYS  20  -3.206   0.874  -7.686
  166    HZ3  LYS  20          3HZ       LYS  20  -3.885  -0.543  -7.061
  167    H    LYS  21           H        LYS  21  -0.207   4.731  -3.646
  168    HA   LYS  21           HA       LYS  21   1.223   4.450  -6.086
  169    HB2  LYS  21          1HB       LYS  21   1.071   6.735  -4.113
  170    HB3  LYS  21          2HB       LYS  21   1.902   6.838  -5.662
  171    HG2  LYS  21          1HG       LYS  21  -1.042   6.315  -5.246
  172    HG3  LYS  21          2HG       LYS  21  -0.311   7.816  -5.821
  173    HD2  LYS  21          1HD       LYS  21  -0.232   5.140  -7.234
  174    HD3  LYS  21          2HD       LYS  21  -1.226   6.526  -7.684
  175    HE2  LYS  21          1HE       LYS  21   0.797   7.838  -8.121
  176    HE3  LYS  21          2HE       LYS  21   1.796   6.462  -7.653
  177    HZ1  LYS  21          1HZ       LYS  21  -0.126   6.439  -9.910
  178    HZ2  LYS  21          2HZ       LYS  21   0.978   5.224  -9.510
  179    HZ3  LYS  21          3HZ       LYS  21   1.532   6.717 -10.073
  180    H    LYS  22           H        LYS  22   2.250   4.877  -2.719
  181    HA   LYS  22           HA       LYS  22   5.034   4.842  -3.330
  182    HB2  LYS  22          1HB       LYS  22   3.542   4.362  -0.739
  183    HB3  LYS  22          2HB       LYS  22   5.299   4.458  -0.857
  184    HG2  LYS  22          1HG       LYS  22   5.121   6.748  -1.710
  185    HG3  LYS  22          2HG       LYS  22   3.362   6.657  -1.592
  186    HD2  LYS  22          1HD       LYS  22   3.478   6.465   0.807
  187    HD3  LYS  22          2HD       LYS  22   5.240   6.341   0.756
  188    HE2  LYS  22          1HE       LYS  22   4.540   8.586   1.424
  189    HE3  LYS  22          2HE       LYS  22   5.382   8.624  -0.124
  190    HZ1  LYS  22          1HZ       LYS  22   3.170   8.668  -1.210
  191    HZ2  LYS  22          2HZ       LYS  22   3.480  10.025  -0.259
  192    HZ3  LYS  22          3HZ       LYS  22   2.451   8.815   0.315
  193    H    LEU  23           H        LEU  23   2.629   2.408  -2.708
  194    HA   LEU  23           HA       LEU  23   4.416   0.218  -2.377
  195    HB2  LEU  23          1HB       LEU  23   2.005   0.235  -1.682
  196    HB3  LEU  23          2HB       LEU  23   1.552   0.199  -3.371
  197    HG   LEU  23           HG       LEU  23   1.474  -2.000  -2.015
  198   HD11  LEU  23          1HD1      LEU  23   2.093  -3.346  -3.945
  199   HD12  LEU  23          2HD1      LEU  23   2.936  -1.970  -4.655
  200   HD13  LEU  23          3HD1      LEU  23   1.186  -1.917  -4.439
  201   HD21  LEU  23          1HD2      LEU  23   3.544  -3.270  -1.916
  202   HD22  LEU  23          2HD2      LEU  23   3.686  -1.778  -0.986
  203   HD23  LEU  23          3HD2      LEU  23   4.440  -1.901  -2.576
  204    H    GLU  24           H        GLU  24   3.035   1.903  -5.114
  205    HA   GLU  24           HA       GLU  24   3.608   0.056  -7.152
  206    HB2  GLU  24          1HB       GLU  24   2.221   2.146  -7.366
  207    HB3  GLU  24          2HB       GLU  24   3.713   3.075  -7.377
  208    HG2  GLU  24          1HG       GLU  24   4.415   1.882  -9.416
  209    HG3  GLU  24          2HG       GLU  24   2.884   1.005  -9.407
  210    H    LYS  25           H        LYS  25   5.566   2.518  -5.575
  211    HA   LYS  25           HA       LYS  25   7.886   2.042  -7.225
  212    HB2  LYS  25          1HB       LYS  25   7.535   3.611  -4.660
  213    HB3  LYS  25          2HB       LYS  25   9.036   3.538  -5.574
  214    HG2  LYS  25          1HG       LYS  25   6.407   4.653  -6.544
  215    HG3  LYS  25          2HG       LYS  25   7.822   5.583  -6.056
  216    HD2  LYS  25          1HD       LYS  25   7.834   3.603  -8.338
  217    HD3  LYS  25          2HD       LYS  25   7.499   5.319  -8.545
  218    HE2  LYS  25          1HE       LYS  25   9.793   4.961  -9.084
  219    HE3  LYS  25          2HE       LYS  25   9.740   5.804  -7.539
  220    HZ1  LYS  25          1HZ       LYS  25  11.365   3.954  -7.657
  221    HZ2  LYS  25          2HZ       LYS  25  10.081   2.865  -7.800
  222    HZ3  LYS  25          3HZ       LYS  25  10.248   3.796  -6.397
  223    H    CYS  26           H        CYS  26   6.434   0.211  -5.003
  224    HA   CYS  26           HA       CYS  26   8.937  -1.189  -4.330
  225    HB2  CYS  26          2HB       CYS  26   6.457  -0.796  -2.639
  226    HB3  CYS  26          1HB       CYS  26   7.653  -2.041  -2.295
  227    H    GLN  27           H        GLN  27   6.721  -1.240  -6.451
  228    HA   GLN  27           HA       GLN  27   5.701  -3.968  -6.124
  229    HB2  GLN  27          1HB       GLN  27   4.052  -2.246  -6.650
  230    HB3  GLN  27          2HB       GLN  27   4.973  -1.757  -8.065
  231    HG2  GLN  27          1HG       GLN  27   4.574  -3.983  -9.057
  232    HG3  GLN  27          2HG       GLN  27   3.576  -4.397  -7.663
  233   HE21  GLN  27          1HE2      GLN  27   1.582  -3.068 -10.594
  234   HE22  GLN  27          2HE2      GLN  27   2.891  -4.196 -10.506
  235    H    ALA  28           H        ALA  28   7.072  -1.935  -8.708
  236    HA   ALA  28           HA       ALA  28   8.108  -4.328 -10.050
  237    HB1  ALA  28          1HB       ALA  28   7.915  -1.478 -11.038
  238    HB2  ALA  28          2HB       ALA  28   6.776  -2.773 -11.403
  239    HB3  ALA  28          3HB       ALA  28   8.437  -2.868 -11.990
  Start of MODEL   12
    1    H1   ALA   1          1H        ALA   1  13.489  -0.592   4.271
    2    H2   ALA   1          2H        ALA   1  12.678   0.201   3.018
    3    H3   ALA   1          3H        ALA   1  14.337   0.441   3.238
    4    HA   ALA   1           HA       ALA   1  13.916  -1.014   1.376
    5    HB1  ALA   1          1HB       ALA   1  15.441  -2.802   2.014
    6    HB2  ALA   1          2HB       ALA   1  15.173  -2.448   3.721
    7    HB3  ALA   1          3HB       ALA   1  15.977  -1.264   2.691
    8    H    GLU   2           H        GLU   2  13.416  -3.117   4.217
    9    HA   GLU   2           HA       GLU   2  11.744  -4.877   2.703
   10    HB2  GLU   2          1HB       GLU   2  13.251  -5.652   4.515
   11    HB3  GLU   2          2HB       GLU   2  12.255  -4.798   5.686
   12    HG2  GLU   2          1HG       GLU   2  11.737  -7.157   5.714
   13    HG3  GLU   2          2HG       GLU   2  10.355  -6.241   5.121
   14    H    ASP   3           H        ASP   3  11.185  -2.067   4.555
   15    HA   ASP   3           HA       ASP   3   8.625  -2.531   5.585
   16    HB2  ASP   3          1HB       ASP   3   8.402  -0.051   5.623
   17    HB3  ASP   3          2HB       ASP   3   9.906  -0.633   6.327
   18    H    CYS   4           H        CYS   4   9.596  -2.158   2.326
   19    HA   CYS   4           HA       CYS   4   7.336  -1.133   1.085
   20    HB2  CYS   4          2HB       CYS   4   9.024  -3.476   0.153
   21    HB3  CYS   4          1HB       CYS   4   7.959  -2.510  -0.862
   22    H    GLU   5           H        GLU   5   7.954  -4.341   2.387
   23    HA   GLU   5           HA       GLU   5   5.608  -5.617   1.511
   24    HB2  GLU   5          1HB       GLU   5   7.536  -6.856   2.342
   25    HB3  GLU   5          2HB       GLU   5   7.353  -6.134   3.932
   26    HG2  GLU   5          1HG       GLU   5   4.953  -7.531   3.019
   27    HG3  GLU   5          2HG       GLU   5   6.366  -8.574   3.134
   28    H    ARG   6           H        ARG   6   6.353  -3.756   4.433
   29    HA   ARG   6           HA       ARG   6   3.901  -4.113   5.761
   30    HB2  ARG   6          1HB       ARG   6   5.749  -3.186   6.982
   31    HB3  ARG   6          2HB       ARG   6   5.913  -1.853   5.845
   32    HG2  ARG   6          1HG       ARG   6   3.709  -0.992   6.575
   33    HG3  ARG   6          2HG       ARG   6   3.614  -2.298   7.756
   34    HD2  ARG   6          1HD       ARG   6   5.838  -0.263   7.685
   35    HD3  ARG   6          2HD       ARG   6   4.383  -0.086   8.664
   36    HE   ARG   6           HE       ARG   6   5.299  -2.504   9.426
   37   HH11  ARG   6          1HH1      ARG   6   6.927   0.584   9.088
   38   HH12  ARG   6          2HH1      ARG   6   7.976   0.322  10.446
   39   HH21  ARG   6          1HH2      ARG   6   6.667  -2.837  11.220
   40   HH22  ARG   6          2HH2      ARG   6   7.836  -1.625  11.648
   41    H    ILE   7           H        ILE   7   4.993  -1.590   3.512
   42    HA   ILE   7           HA       ILE   7   2.703   0.009   3.543
   43    HB   ILE   7           HB       ILE   7   4.598  -0.474   1.224
   44   HG12  ILE   7          1HG1      ILE   7   4.604   1.670   3.373
   45   HG13  ILE   7          2HG1      ILE   7   5.730   0.322   3.266
   46   HG21  ILE   7          1HG2      ILE   7   3.833   1.698   0.378
   47   HG22  ILE   7          2HG2      ILE   7   2.662   1.800   1.693
   48   HG23  ILE   7          3HG2      ILE   7   2.508   0.538   0.470
   49   HD11  ILE   7          1HD1      ILE   7   6.750   2.361   2.466
   50   HD12  ILE   7          2HD1      ILE   7   5.461   2.569   1.278
   51   HD13  ILE   7          3HD1      ILE   7   6.574   1.206   1.145
   52    H    ARG   8           H        ARG   8   3.546  -2.723   1.434
   53    HA   ARG   8           HA       ARG   8   1.180  -2.750  -0.096
   54    HB2  ARG   8          1HB       ARG   8   3.306  -4.054  -0.537
   55    HB3  ARG   8          2HB       ARG   8   2.800  -5.173   0.717
   56    HG2  ARG   8          1HG       ARG   8   0.749  -5.655  -0.581
   57    HG3  ARG   8          2HG       ARG   8   1.339  -4.591  -1.862
   58    HD2  ARG   8          1HD       ARG   8   1.833  -6.893  -2.421
   59    HD3  ARG   8          2HD       ARG   8   3.336  -6.027  -2.095
   60    HE   ARG   8           HE       ARG   8   2.046  -7.724  -0.056
   61   HH11  ARG   8          1HH1      ARG   8   4.852  -6.828  -1.942
   62   HH12  ARG   8          2HH1      ARG   8   5.919  -7.908  -1.104
   63   HH21  ARG   8          1HH2      ARG   8   3.456  -9.123   1.066
   64   HH22  ARG   8          2HH2      ARG   8   5.127  -9.212   0.609
   65    H    LYS   9           H        LYS   9   2.066  -4.277   2.933
   66    HA   LYS   9           HA       LYS   9  -0.255  -5.837   3.302
   67    HB2  LYS   9          1HB       LYS   9   1.943  -6.122   4.483
   68    HB3  LYS   9          2HB       LYS   9   1.562  -4.700   5.443
   69    HG2  LYS   9          1HG       LYS   9  -0.352  -5.836   6.412
   70    HG3  LYS   9          2HG       LYS   9  -0.063  -7.245   5.385
   71    HD2  LYS   9          1HD       LYS   9   1.804  -6.167   7.508
   72    HD3  LYS   9          2HD       LYS   9   0.813  -7.622   7.634
   73    HE2  LYS   9          1HE       LYS   9   2.049  -8.659   5.819
   74    HE3  LYS   9          2HE       LYS   9   2.984  -7.184   5.579
   75    HZ1  LYS   9          1HZ       LYS   9   3.869  -7.470   7.838
   76    HZ2  LYS   9          2HZ       LYS   9   4.267  -8.756   6.820
   77    HZ3  LYS   9          3HZ       LYS   9   3.044  -8.939   7.970
   78    H    GLU  10           H        GLU  10   0.517  -2.504   4.056
   79    HA   GLU  10           HA       GLU  10  -1.890  -1.979   5.526
   80    HB2  GLU  10          1HB       GLU  10   0.056  -0.130   4.123
   81    HB3  GLU  10          2HB       GLU  10  -1.296   0.422   5.097
   82    HG2  GLU  10          1HG       GLU  10  -0.325  -0.675   7.065
   83    HG3  GLU  10          2HG       GLU  10   1.035  -1.220   6.081
   84    H    LEU  11           H        LEU  11  -0.844  -1.846   2.200
   85    HA   LEU  11           HA       LEU  11  -2.976  -0.283   1.182
   86    HB2  LEU  11          1HB       LEU  11  -0.753  -0.562   0.106
   87    HB3  LEU  11          2HB       LEU  11  -1.164  -2.222  -0.270
   88    HG   LEU  11           HG       LEU  11  -2.926  -1.486  -1.785
   89   HD11  LEU  11          1HD1      LEU  11  -2.125   1.327  -1.044
   90   HD12  LEU  11          2HD1      LEU  11  -3.620   0.522  -0.561
   91   HD13  LEU  11          3HD1      LEU  11  -3.312   0.862  -2.263
   92   HD21  LEU  11          1HD2      LEU  11  -0.333  -0.022  -2.276
   93   HD22  LEU  11          2HD2      LEU  11  -1.541  -0.430  -3.494
   94   HD23  LEU  11          3HD2      LEU  11  -0.658  -1.712  -2.664
   95    H    GLU  12           H        GLU  12  -2.453  -3.772   1.476
   96    HA   GLU  12           HA       GLU  12  -4.817  -4.493   0.057
   97    HB2  GLU  12          1HB       GLU  12  -4.440  -6.759   1.154
   98    HB3  GLU  12          2HB       GLU  12  -3.140  -6.155   0.141
   99    HG2  GLU  12          1HG       GLU  12  -1.786  -6.659   1.838
  100    HG3  GLU  12          2HG       GLU  12  -2.432  -5.226   2.628
  101    H    LYS  13           H        LYS  13  -4.143  -3.643   3.376
  102    HA   LYS  13           HA       LYS  13  -6.712  -4.457   4.400
  103    HB2  LYS  13          1HB       LYS  13  -4.624  -2.573   5.535
  104    HB3  LYS  13          2HB       LYS  13  -6.073  -3.074   6.391
  105    HG2  LYS  13          1HG       LYS  13  -3.850  -4.902   5.486
  106    HG3  LYS  13          2HG       LYS  13  -4.086  -4.292   7.124
  107    HD2  LYS  13          1HD       LYS  13  -6.319  -5.412   7.152
  108    HD3  LYS  13          2HD       LYS  13  -5.932  -6.120   5.580
  109    HE2  LYS  13          1HE       LYS  13  -4.535  -6.590   8.211
  110    HE3  LYS  13          2HE       LYS  13  -5.426  -7.761   7.240
  111    HZ1  LYS  13          1HZ       LYS  13  -3.102  -8.106   6.927
  112    HZ2  LYS  13          2HZ       LYS  13  -2.839  -6.479   6.563
  113    HZ3  LYS  13          3HZ       LYS  13  -3.718  -7.452   5.492
  114    H    ASN  14           H        ASN  14  -5.232  -1.483   3.250
  115    HA   ASN  14           HA       ASN  14  -7.852  -0.148   3.256
  116    HB2  ASN  14          1HB       ASN  14  -6.672   0.647   5.233
  117    HB3  ASN  14          2HB       ASN  14  -5.231   0.989   4.283
  118   HD21  ASN  14          1HD2      ASN  14  -6.352   4.290   4.269
  119   HD22  ASN  14          2HD2      ASN  14  -5.203   3.147   4.868
  120    HA   PRO  15           HA       PRO  15  -6.101   0.249  -0.967
  121    HB2  PRO  15          2HB       PRO  15  -8.948   0.869  -1.536
  122    HB3  PRO  15          1HB       PRO  15  -7.883  -0.316  -2.300
  123    HG2  PRO  15          2HG       PRO  15  -9.848  -1.088  -0.657
  124    HG3  PRO  15          1HG       PRO  15  -8.278  -1.921  -0.666
  125    HD2  PRO  15          2HD       PRO  15  -9.324   0.136   1.261
  126    HD3  PRO  15          1HD       PRO  15  -8.435  -1.367   1.594
  127    H    ASN  16           H        ASN  16  -5.190   2.123  -1.551
  128    HA   ASN  16           HA       ASN  16  -6.665   4.596  -1.592
  129    HB2  ASN  16          1HB       ASN  16  -5.964   4.459   0.801
  130    HB3  ASN  16          2HB       ASN  16  -4.286   4.347   0.287
  131   HD21  ASN  16          1HD2      ASN  16  -5.350   7.864   1.203
  132   HD22  ASN  16          2HD2      ASN  16  -5.605   6.333   1.968
  133    H    ASP  17           H        ASP  17  -5.923   5.794  -3.224
  134    HA   ASP  17           HA       ASP  17  -4.068   4.757  -5.038
  135    HB2  ASP  17          1HB       ASP  17  -5.886   6.318  -5.643
  136    HB3  ASP  17          2HB       ASP  17  -5.051   7.615  -4.793
  137    H    GLU  18           H        GLU  18  -3.714   7.124  -2.467
  138    HA   GLU  18           HA       GLU  18  -1.132   8.076  -3.087
  139    HB2  GLU  18          1HB       GLU  18  -2.397   7.769  -0.351
  140    HB3  GLU  18          2HB       GLU  18  -1.063   8.839  -0.765
  141    HG2  GLU  18          1HG       GLU  18  -2.485  10.196  -2.134
  142    HG3  GLU  18          2HG       GLU  18  -3.818   9.052  -1.966
  143    H    ILE  19           H        ILE  19  -2.184   5.544  -0.819
  144    HA   ILE  19           HA       ILE  19   0.388   4.671  -0.081
  145    HB   ILE  19           HB       ILE  19  -2.160   3.022  -0.119
  146   HG12  ILE  19          1HG1      ILE  19  -2.462   5.102   1.159
  147   HG13  ILE  19          2HG1      ILE  19  -2.427   3.712   2.237
  148   HG21  ILE  19          1HG2      ILE  19  -0.168   1.645   0.143
  149   HG22  ILE  19          2HG2      ILE  19  -1.061   1.714   1.661
  150   HG23  ILE  19          3HG2      ILE  19   0.402   2.678   1.455
  151   HD11  ILE  19          1HD1      ILE  19  -0.109   4.233   2.823
  152   HD12  ILE  19          2HD1      ILE  19  -1.193   5.580   3.167
  153   HD13  ILE  19          3HD1      ILE  19  -0.154   5.628   1.743
  154    H    LYS  20           H        LYS  20  -1.787   3.735  -2.698
  155    HA   LYS  20           HA       LYS  20  -0.332   1.579  -3.721
  156    HB2  LYS  20          1HB       LYS  20  -2.144   3.593  -5.047
  157    HB3  LYS  20          2HB       LYS  20  -1.375   2.303  -5.964
  158    HG2  LYS  20          1HG       LYS  20  -2.466   0.711  -4.282
  159    HG3  LYS  20          2HG       LYS  20  -3.436   2.099  -3.792
  160    HD2  LYS  20          1HD       LYS  20  -4.798   1.100  -5.373
  161    HD3  LYS  20          2HD       LYS  20  -3.954   2.313  -6.338
  162    HE2  LYS  20          1HE       LYS  20  -3.234  -0.616  -6.140
  163    HE3  LYS  20          2HE       LYS  20  -4.070   0.144  -7.488
  164    HZ1  LYS  20          1HZ       LYS  20  -1.284   0.674  -6.614
  165    HZ2  LYS  20          2HZ       LYS  20  -2.075   1.509  -7.852
  166    HZ3  LYS  20          3HZ       LYS  20  -1.763  -0.145  -8.011
  167    H    LYS  21           H        LYS  21  -0.055   5.085  -4.373
  168    HA   LYS  21           HA       LYS  21   2.035   4.994  -6.242
  169    HB2  LYS  21          1HB       LYS  21   1.588   7.090  -4.097
  170    HB3  LYS  21          2HB       LYS  21   2.599   7.285  -5.522
  171    HG2  LYS  21          1HG       LYS  21   0.605   7.086  -6.946
  172    HG3  LYS  21          2HG       LYS  21  -0.395   6.930  -5.500
  173    HD2  LYS  21          1HD       LYS  21   0.551   9.163  -4.755
  174    HD3  LYS  21          2HD       LYS  21   1.235   9.314  -6.373
  175    HE2  LYS  21          1HE       LYS  21  -1.693   9.010  -5.704
  176    HE3  LYS  21          2HE       LYS  21  -0.889  10.505  -6.178
  177    HZ1  LYS  21          1HZ       LYS  21  -0.439   9.595  -8.330
  178    HZ2  LYS  21          2HZ       LYS  21  -2.088   9.400  -8.007
  179    HZ3  LYS  21          3HZ       LYS  21  -1.046   8.083  -7.882
  180    H    LYS  22           H        LYS  22   2.091   5.185  -2.705
  181    HA   LYS  22           HA       LYS  22   4.922   5.164  -2.466
  182    HB2  LYS  22          1HB       LYS  22   2.661   4.674  -0.552
  183    HB3  LYS  22          2HB       LYS  22   4.318   4.374  -0.049
  184    HG2  LYS  22          1HG       LYS  22   3.938   6.981  -1.335
  185    HG3  LYS  22          2HG       LYS  22   3.003   6.776   0.144
  186    HD2  LYS  22          1HD       LYS  22   5.259   7.782   0.507
  187    HD3  LYS  22          2HD       LYS  22   4.993   6.296   1.413
  188    HE2  LYS  22          1HE       LYS  22   7.225   6.303   0.479
  189    HE3  LYS  22          2HE       LYS  22   6.265   5.051  -0.302
  190    HZ1  LYS  22          1HZ       LYS  22   5.955   6.529  -2.192
  191    HZ2  LYS  22          2HZ       LYS  22   7.599   6.279  -1.893
  192    HZ3  LYS  22          3HZ       LYS  22   6.869   7.733  -1.434
  193    H    LEU  23           H        LEU  23   2.627   2.648  -3.012
  194    HA   LEU  23           HA       LEU  23   4.454   0.525  -2.320
  195    HB2  LEU  23          1HB       LEU  23   1.916   0.360  -2.284
  196    HB3  LEU  23          2HB       LEU  23   1.965   0.338  -4.035
  197    HG   LEU  23           HG       LEU  23   1.725  -1.911  -2.825
  198   HD11  LEU  23          1HD1      LEU  23   3.119  -3.109  -4.420
  199   HD12  LEU  23          2HD1      LEU  23   3.998  -1.625  -4.791
  200   HD13  LEU  23          3HD1      LEU  23   2.289  -1.763  -5.201
  201   HD21  LEU  23          1HD2      LEU  23   3.405  -1.510  -1.095
  202   HD22  LEU  23          2HD2      LEU  23   4.668  -1.471  -2.326
  203   HD23  LEU  23          3HD2      LEU  23   3.772  -2.959  -2.031
  204    H    GLU  24           H        GLU  24   3.462   2.260  -5.233
  205    HA   GLU  24           HA       GLU  24   4.898   0.684  -7.094
  206    HB2  GLU  24          1HB       GLU  24   4.144   3.618  -7.259
  207    HB3  GLU  24          2HB       GLU  24   4.704   2.637  -8.605
  208    HG2  GLU  24          1HG       GLU  24   2.130   2.343  -7.076
  209    HG3  GLU  24          2HG       GLU  24   2.332   2.854  -8.748
  210    H    LYS  25           H        LYS  25   5.771   3.390  -5.047
  211    HA   LYS  25           HA       LYS  25   8.591   2.797  -5.554
  212    HB2  LYS  25          1HB       LYS  25   9.074   5.292  -5.488
  213    HB3  LYS  25          2HB       LYS  25   8.312   4.687  -6.952
  214    HG2  LYS  25          1HG       LYS  25   6.104   5.452  -5.955
  215    HG3  LYS  25          2HG       LYS  25   7.063   6.296  -4.738
  216    HD2  LYS  25          1HD       LYS  25   7.498   6.710  -7.693
  217    HD3  LYS  25          2HD       LYS  25   6.305   7.636  -6.788
  218    HE2  LYS  25          1HE       LYS  25   8.420   8.856  -7.021
  219    HE3  LYS  25          2HE       LYS  25   8.045   8.515  -5.335
  220    HZ1  LYS  25          1HZ       LYS  25  10.409   8.154  -6.055
  221    HZ2  LYS  25          2HZ       LYS  25   9.876   6.809  -6.925
  222    HZ3  LYS  25          3HZ       LYS  25   9.686   6.865  -5.246
  223    H    CYS  26           H        CYS  26   8.776   1.784  -3.635
  224    HA   CYS  26           HA       CYS  26   7.889   3.103  -1.176
  225    HB2  CYS  26          2HB       CYS  26   8.336   0.907  -0.124
  226    HB3  CYS  26          1HB       CYS  26   7.232   0.773  -1.491
  227    H    GLN  27           H        GLN  27  10.791   2.087  -2.850
  228    HA   GLN  27           HA       GLN  27  12.664   2.410  -0.776
  229    HB2  GLN  27          1HB       GLN  27  13.144   1.356  -2.991
  230    HB3  GLN  27          2HB       GLN  27  13.063   2.946  -3.738
  231    HG2  GLN  27          1HG       GLN  27  15.354   2.449  -3.454
  232    HG3  GLN  27          2HG       GLN  27  14.950   3.638  -2.216
  233   HE21  GLN  27          1HE2      GLN  27  16.189  -0.089  -1.226
  234   HE22  GLN  27          2HE2      GLN  27  15.851   0.361  -2.859
  235    H    ALA  28           H        ALA  28  11.032   4.642  -2.873
  236    HA   ALA  28           HA       ALA  28  11.913   6.871  -1.207
  237    HB1  ALA  28          1HB       ALA  28  12.074   6.912  -4.233
  238    HB2  ALA  28          2HB       ALA  28  13.446   6.896  -3.124
  239    HB3  ALA  28          3HB       ALA  28  12.363   8.287  -3.165
  Start of MODEL   13
    1    H1   ALA   1          1H        ALA   1  11.737   5.430   8.663
    2    H2   ALA   1          2H        ALA   1  11.326   6.443   7.376
    3    H3   ALA   1          3H        ALA   1  12.888   6.476   8.010
    4    HA   ALA   1           HA       ALA   1  12.836   5.299   5.921
    5    HB1  ALA   1          1HB       ALA   1  13.970   3.265   6.654
    6    HB2  ALA   1          2HB       ALA   1  13.328   3.476   8.283
    7    HB3  ALA   1          3HB       ALA   1  14.477   4.644   7.630
    8    H    GLU   2           H        GLU   2  11.554   4.267   4.540
    9    HA   GLU   2           HA       GLU   2   9.114   3.014   5.494
   10    HB2  GLU   2          1HB       GLU   2  10.093   3.497   2.664
   11    HB3  GLU   2          2HB       GLU   2   8.480   2.960   3.116
   12    HG2  GLU   2          1HG       GLU   2   9.736   5.630   3.728
   13    HG3  GLU   2          2HG       GLU   2   8.436   5.304   2.583
   14    H    ASP   3           H        ASP   3   8.438   0.915   4.780
   15    HA   ASP   3           HA       ASP   3  10.571  -0.904   3.870
   16    HB2  ASP   3          1HB       ASP   3  10.311  -1.151   6.329
   17    HB3  ASP   3          2HB       ASP   3   8.599  -1.496   6.105
   18    H    CYS   4           H        CYS   4   9.917  -1.914   2.069
   19    HA   CYS   4           HA       CYS   4   7.472  -1.332   0.876
   20    HB2  CYS   4          2HB       CYS   4   9.515  -3.455   0.228
   21    HB3  CYS   4          1HB       CYS   4   8.122  -3.108  -0.793
   22    H    GLU   5           H        GLU   5   8.455  -4.269   2.618
   23    HA   GLU   5           HA       GLU   5   6.148  -5.770   1.974
   24    HB2  GLU   5          1HB       GLU   5   8.129  -6.874   2.838
   25    HB3  GLU   5          2HB       GLU   5   8.010  -5.980   4.349
   26    HG2  GLU   5          1HG       GLU   5   5.958  -7.124   4.916
   27    HG3  GLU   5          2HG       GLU   5   5.949  -7.942   3.353
   28    H    ARG   6           H        ARG   6   6.927  -3.657   4.705
   29    HA   ARG   6           HA       ARG   6   4.530  -4.057   6.142
   30    HB2  ARG   6          1HB       ARG   6   6.383  -1.662   6.089
   31    HB3  ARG   6          2HB       ARG   6   5.107  -1.914   7.274
   32    HG2  ARG   6          1HG       ARG   6   7.501  -3.707   6.863
   33    HG3  ARG   6          2HG       ARG   6   7.303  -2.525   8.159
   34    HD2  ARG   6          1HD       ARG   6   5.438  -3.742   9.062
   35    HD3  ARG   6          2HD       ARG   6   5.430  -4.845   7.686
   36    HE   ARG   6           HE       ARG   6   7.805  -5.407   8.565
   37   HH11  ARG   6          1HH1      ARG   6   5.047  -4.603  10.561
   38   HH12  ARG   6          2HH1      ARG   6   5.523  -5.632  11.870
   39   HH21  ARG   6          1HH2      ARG   6   8.458  -6.754  10.304
   40   HH22  ARG   6          2HH2      ARG   6   7.467  -6.857  11.728
   41    H    ILE   7           H        ILE   7   5.458  -1.665   3.691
   42    HA   ILE   7           HA       ILE   7   3.047  -0.187   3.761
   43    HB   ILE   7           HB       ILE   7   5.009  -0.481   1.471
   44   HG12  ILE   7          1HG1      ILE   7   4.814   1.636   3.637
   45   HG13  ILE   7          2HG1      ILE   7   6.039   0.377   3.551
   46   HG21  ILE   7          1HG2      ILE   7   2.845   0.377   0.713
   47   HG22  ILE   7          2HG2      ILE   7   4.078   1.636   0.646
   48   HG23  ILE   7          3HG2      ILE   7   2.896   1.628   1.956
   49   HD11  ILE   7          1HD1      ILE   7   6.863   1.327   1.455
   50   HD12  ILE   7          2HD1      ILE   7   6.909   2.498   2.773
   51   HD13  ILE   7          3HD1      ILE   7   5.638   2.594   1.553
   52    H    ARG   8           H        ARG   8   4.095  -2.967   1.811
   53    HA   ARG   8           HA       ARG   8   1.890  -3.123   0.091
   54    HB2  ARG   8          1HB       ARG   8   3.740  -5.243   1.170
   55    HB3  ARG   8          2HB       ARG   8   2.427  -5.651   0.075
   56    HG2  ARG   8          1HG       ARG   8   3.438  -4.004  -1.544
   57    HG3  ARG   8          2HG       ARG   8   4.828  -3.921  -0.457
   58    HD2  ARG   8          1HD       ARG   8   3.791  -6.353  -1.907
   59    HD3  ARG   8          2HD       ARG   8   5.300  -5.497  -2.219
   60    HE   ARG   8           HE       ARG   8   4.706  -7.148   0.152
   61   HH11  ARG   8          1HH1      ARG   8   7.032  -5.559  -1.937
   62   HH12  ARG   8          2HH1      ARG   8   8.404  -6.319  -1.193
   63   HH21  ARG   8          1HH2      ARG   8   6.496  -8.194   1.084
   64   HH22  ARG   8          2HH2      ARG   8   8.099  -7.838   0.513
   65    H    LYS   9           H        LYS   9   2.456  -4.813   3.190
   66    HA   LYS   9           HA       LYS   9  -0.084  -6.040   3.267
   67    HB2  LYS   9          1HB       LYS   9   1.936  -6.747   4.596
   68    HB3  LYS   9          2HB       LYS   9   1.671  -5.357   5.640
   69    HG2  LYS   9          1HG       LYS   9   0.777  -7.382   6.652
   70    HG3  LYS   9          2HG       LYS   9  -0.524  -6.246   6.279
   71    HD2  LYS   9          1HD       LYS   9  -1.006  -7.518   4.206
   72    HD3  LYS   9          2HD       LYS   9   0.256  -8.672   4.641
   73    HE2  LYS   9          1HE       LYS   9  -2.216  -8.090   6.277
   74    HE3  LYS   9          2HE       LYS   9  -2.005  -9.478   5.210
   75    HZ1  LYS   9          1HZ       LYS   9  -0.407  -8.874   7.639
   76    HZ2  LYS   9          2HZ       LYS   9  -0.118 -10.164   6.587
   77    HZ3  LYS   9          3HZ       LYS   9  -1.556 -10.103   7.467
   78    H    GLU  10           H        GLU  10   1.079  -2.939   4.462
   79    HA   GLU  10           HA       GLU  10  -1.197  -2.246   5.962
   80    HB2  GLU  10          1HB       GLU  10   0.982  -1.122   6.214
   81    HB3  GLU  10          2HB       GLU  10   0.839  -0.470   4.584
   82    HG2  GLU  10          1HG       GLU  10  -1.039   0.855   5.212
   83    HG3  GLU  10          2HG       GLU  10  -1.101   0.096   6.801
   84    H    LEU  11           H        LEU  11  -0.327  -1.921   2.570
   85    HA   LEU  11           HA       LEU  11  -2.570  -0.303   1.842
   86    HB2  LEU  11          1HB       LEU  11  -0.401  -0.538   0.556
   87    HB3  LEU  11          2HB       LEU  11  -0.932  -2.131   0.065
   88    HG   LEU  11           HG       LEU  11  -1.220  -0.264  -1.634
   89   HD11  LEU  11          1HD1      LEU  11  -2.398  -2.396  -1.861
   90   HD12  LEU  11          2HD1      LEU  11  -3.378  -1.049  -2.439
   91   HD13  LEU  11          3HD1      LEU  11  -3.721  -1.780  -0.870
   92   HD21  LEU  11          1HD2      LEU  11  -1.997   1.469  -0.098
   93   HD22  LEU  11          2HD2      LEU  11  -3.469   0.549   0.213
   94   HD23  LEU  11          3HD2      LEU  11  -3.157   1.198  -1.397
   95    H    GLU  12           H        GLU  12  -1.854  -3.740   1.924
   96    HA   GLU  12           HA       GLU  12  -4.210  -4.719   0.756
   97    HB2  GLU  12          1HB       GLU  12  -2.424  -5.934   2.878
   98    HB3  GLU  12          2HB       GLU  12  -3.701  -6.809   2.043
   99    HG2  GLU  12          1HG       GLU  12  -1.297  -5.556   0.728
  100    HG3  GLU  12          2HG       GLU  12  -1.479  -7.265   1.114
  101    H    LYS  13           H        LYS  13  -3.463  -3.706   4.040
  102    HA   LYS  13           HA       LYS  13  -5.995  -4.583   5.100
  103    HB2  LYS  13          1HB       LYS  13  -3.988  -4.532   6.519
  104    HB3  LYS  13          2HB       LYS  13  -3.861  -2.795   6.298
  105    HG2  LYS  13          1HG       LYS  13  -4.813  -2.987   8.400
  106    HG3  LYS  13          2HG       LYS  13  -6.209  -2.692   7.368
  107    HD2  LYS  13          1HD       LYS  13  -5.315  -5.446   8.252
  108    HD3  LYS  13          2HD       LYS  13  -6.520  -4.486   9.108
  109    HE2  LYS  13          1HE       LYS  13  -6.724  -5.496   6.265
  110    HE3  LYS  13          2HE       LYS  13  -7.592  -6.127   7.662
  111    HZ1  LYS  13          1HZ       LYS  13  -8.977  -4.657   6.345
  112    HZ2  LYS  13          2HZ       LYS  13  -7.878  -3.388   6.550
  113    HZ3  LYS  13          3HZ       LYS  13  -8.715  -4.000   7.881
  114    H    ASN  14           H        ASN  14  -4.530  -1.504   4.182
  115    HA   ASN  14           HA       ASN  14  -7.183  -0.220   4.338
  116    HB2  ASN  14          1HB       ASN  14  -4.490   1.042   4.942
  117    HB3  ASN  14          2HB       ASN  14  -6.029   1.894   4.923
  118   HD21  ASN  14          1HD2      ASN  14  -4.940   0.842   8.393
  119   HD22  ASN  14          2HD2      ASN  14  -4.086   1.574   7.079
  120    HA   PRO  15           HA       PRO  15  -5.986   0.166  -0.047
  121    HB2  PRO  15          2HB       PRO  15  -8.816   0.904  -0.385
  122    HB3  PRO  15          1HB       PRO  15  -7.912  -0.421  -1.123
  123    HG2  PRO  15          2HG       PRO  15  -9.805  -0.834   0.763
  124    HG3  PRO  15          1HG       PRO  15  -8.378  -1.874   0.608
  125    HD2  PRO  15          2HD       PRO  15  -8.915   0.333   2.564
  126    HD3  PRO  15          1HD       PRO  15  -8.137  -1.244   2.828
  127    H    ASN  16           H        ASN  16  -4.983   1.999  -0.595
  128    HA   ASN  16           HA       ASN  16  -6.427   4.518  -0.574
  129    HB2  ASN  16          1HB       ASN  16  -5.437   4.540   1.647
  130    HB3  ASN  16          2HB       ASN  16  -3.859   4.126   0.988
  131   HD21  ASN  16          1HD2      ASN  16  -5.252   7.948   0.812
  132   HD22  ASN  16          2HD2      ASN  16  -6.300   6.626   1.206
  133    H    ASP  17           H        ASP  17  -5.957   5.683  -2.300
  134    HA   ASP  17           HA       ASP  17  -4.462   4.717  -4.422
  135    HB2  ASP  17          1HB       ASP  17  -5.419   7.508  -3.770
  136    HB3  ASP  17          2HB       ASP  17  -4.594   7.126  -5.277
  137    H    GLU  18           H        GLU  18  -3.595   7.383  -2.212
  138    HA   GLU  18           HA       GLU  18  -1.137   8.018  -3.344
  139    HB2  GLU  18          1HB       GLU  18  -2.196   8.314  -0.538
  140    HB3  GLU  18          2HB       GLU  18  -0.581   8.861  -0.966
  141    HG2  GLU  18          1HG       GLU  18  -2.309  10.648  -1.004
  142    HG3  GLU  18          2HG       GLU  18  -1.440  10.450  -2.523
  143    H    ILE  19           H        ILE  19  -1.739   5.900  -0.534
  144    HA   ILE  19           HA       ILE  19   0.895   5.110  -0.091
  145    HB   ILE  19           HB       ILE  19  -1.641   3.515   0.376
  146   HG12  ILE  19          1HG1      ILE  19  -1.616   5.683   1.542
  147   HG13  ILE  19          2HG1      ILE  19  -1.479   4.352   2.686
  148   HG21  ILE  19          1HG2      ILE  19   1.128   3.099   1.518
  149   HG22  ILE  19          2HG2      ILE  19   0.285   2.033   0.394
  150   HG23  ILE  19          3HG2      ILE  19  -0.327   2.245   2.034
  151   HD11  ILE  19          1HD1      ILE  19   0.783   6.083   1.709
  152   HD12  ILE  19          2HD1      ILE  19   0.927   4.752   2.857
  153   HD13  ILE  19          3HD1      ILE  19  -0.007   6.185   3.281
  154    H    LYS  20           H        LYS  20  -1.578   3.682  -2.195
  155    HA   LYS  20           HA       LYS  20  -0.073   1.456  -3.052
  156    HB2  LYS  20          1HB       LYS  20  -2.546   1.734  -3.324
  157    HB3  LYS  20          2HB       LYS  20  -2.240   2.923  -4.580
  158    HG2  LYS  20          1HG       LYS  20  -1.059   1.167  -5.885
  159    HG3  LYS  20          2HG       LYS  20  -1.516  -0.004  -4.650
  160    HD2  LYS  20          1HD       LYS  20  -3.079  -0.153  -6.482
  161    HD3  LYS  20          2HD       LYS  20  -3.906   0.540  -5.085
  162    HE2  LYS  20          1HE       LYS  20  -4.552   1.770  -7.048
  163    HE3  LYS  20          2HE       LYS  20  -3.521   2.806  -6.063
  164    HZ1  LYS  20          1HZ       LYS  20  -2.841   3.015  -8.313
  165    HZ2  LYS  20          2HZ       LYS  20  -2.769   1.343  -8.530
  166    HZ3  LYS  20          3HZ       LYS  20  -1.645   2.111  -7.531
  167    H    LYS  21           H        LYS  21  -0.339   4.761  -4.270
  168    HA   LYS  21           HA       LYS  21   1.148   4.259  -6.664
  169    HB2  LYS  21          1HB       LYS  21   0.245   6.807  -5.312
  170    HB3  LYS  21          2HB       LYS  21   1.189   6.810  -6.797
  171    HG2  LYS  21          1HG       LYS  21  -0.556   5.544  -7.938
  172    HG3  LYS  21          2HG       LYS  21  -1.496   5.468  -6.449
  173    HD2  LYS  21          1HD       LYS  21  -0.741   8.036  -7.864
  174    HD3  LYS  21          2HD       LYS  21  -2.282   7.201  -8.072
  175    HE2  LYS  21          1HE       LYS  21  -2.630   7.416  -5.600
  176    HE3  LYS  21          2HE       LYS  21  -1.192   8.430  -5.542
  177    HZ1  LYS  21          1HZ       LYS  21  -2.272   9.985  -7.035
  178    HZ2  LYS  21          2HZ       LYS  21  -3.211   9.744  -5.654
  179    HZ3  LYS  21          3HZ       LYS  21  -3.647   9.006  -7.110
  180    H    LYS  22           H        LYS  22   1.988   5.273  -3.414
  181    HA   LYS  22           HA       LYS  22   4.721   5.888  -4.090
  182    HB2  LYS  22          1HB       LYS  22   3.200   5.579  -1.527
  183    HB3  LYS  22          2HB       LYS  22   4.953   5.479  -1.475
  184    HG2  LYS  22          1HG       LYS  22   4.333   7.723  -0.982
  185    HG3  LYS  22          2HG       LYS  22   5.051   7.707  -2.594
  186    HD2  LYS  22          1HD       LYS  22   2.727   7.644  -3.537
  187    HD3  LYS  22          2HD       LYS  22   2.116   7.865  -1.894
  188    HE2  LYS  22          1HE       LYS  22   3.801   9.770  -3.513
  189    HE3  LYS  22          2HE       LYS  22   2.154  10.009  -2.932
  190    HZ1  LYS  22          1HZ       LYS  22   3.717  11.225  -1.575
  191    HZ2  LYS  22          2HZ       LYS  22   4.593   9.819  -1.247
  192    HZ3  LYS  22          3HZ       LYS  22   3.022   9.987  -0.653
  193    H    LEU  23           H        LEU  23   2.938   3.099  -2.932
  194    HA   LEU  23           HA       LEU  23   5.069   1.348  -2.440
  195    HB2  LEU  23          1HB       LEU  23   2.619   1.030  -1.878
  196    HB3  LEU  23          2HB       LEU  23   2.346   0.621  -3.556
  197    HG   LEU  23           HG       LEU  23   2.507  -1.320  -1.929
  198   HD11  LEU  23          1HD1      LEU  23   4.454  -1.344  -4.236
  199   HD12  LEU  23          2HD1      LEU  23   2.721  -1.645  -4.340
  200   HD13  LEU  23          3HD1      LEU  23   3.755  -2.755  -3.445
  201   HD21  LEU  23          1HD2      LEU  23   4.414  -0.394  -0.627
  202   HD22  LEU  23          2HD2      LEU  23   5.469  -0.726  -2.002
  203   HD23  LEU  23          3HD2      LEU  23   4.664  -2.051  -1.166
  204    H    GLU  24           H        GLU  24   3.483   2.354  -5.374
  205    HA   GLU  24           HA       GLU  24   4.396   0.456  -7.189
  206    HB2  GLU  24          1HB       GLU  24   2.709   2.352  -7.530
  207    HB3  GLU  24          2HB       GLU  24   4.091   3.405  -7.803
  208    HG2  GLU  24          1HG       GLU  24   3.238   2.727  -9.921
  209    HG3  GLU  24          2HG       GLU  24   4.779   1.909  -9.675
  210    H    LYS  25           H        LYS  25   6.048   3.144  -5.710
  211    HA   LYS  25           HA       LYS  25   8.431   2.684  -7.394
  212    HB2  LYS  25          1HB       LYS  25   7.363   4.970  -7.483
  213    HB3  LYS  25          2HB       LYS  25   7.745   5.159  -5.777
  214    HG2  LYS  25          1HG       LYS  25   9.390   6.318  -7.099
  215    HG3  LYS  25          2HG       LYS  25  10.152   4.931  -6.320
  216    HD2  LYS  25          1HD       LYS  25   9.969   3.657  -8.412
  217    HD3  LYS  25          2HD       LYS  25   9.189   5.037  -9.188
  218    HE2  LYS  25          1HE       LYS  25  11.508   4.992  -9.828
  219    HE3  LYS  25          2HE       LYS  25  11.240   6.373  -8.767
  220    HZ1  LYS  25          1HZ       LYS  25  12.245   5.196  -6.957
  221    HZ2  LYS  25          2HZ       LYS  25  13.290   5.100  -8.283
  222    HZ3  LYS  25          3HZ       LYS  25  12.341   3.768  -7.860
  223    H    CYS  26           H        CYS  26   7.377   1.440  -4.755
  224    HA   CYS  26           HA       CYS  26   9.131   2.280  -2.698
  225    HB2  CYS  26          2HB       CYS  26   6.958   1.065  -2.327
  226    HB3  CYS  26          1HB       CYS  26   7.756  -0.405  -2.878
  227    H    GLN  27           H        GLN  27  11.150   2.300  -3.527
  228    HA   GLN  27           HA       GLN  27  12.641  -0.097  -3.134
  229    HB2  GLN  27          1HB       GLN  27  11.998  -0.411  -5.494
  230    HB3  GLN  27          2HB       GLN  27  12.637   1.181  -5.886
  231    HG2  GLN  27          1HG       GLN  27  14.879   0.426  -5.201
  232    HG3  GLN  27          2HG       GLN  27  14.214  -1.176  -4.893
  233   HE21  GLN  27          1HE2      GLN  27  15.759  -0.875  -8.325
  234   HE22  GLN  27          2HE2      GLN  27  16.297  -0.386  -6.756
  235    H    ALA  28           H        ALA  28  12.723   3.102  -4.644
  236    HA   ALA  28           HA       ALA  28  14.529   4.177  -2.711
  237    HB1  ALA  28          1HB       ALA  28  16.146   2.921  -4.057
  238    HB2  ALA  28          2HB       ALA  28  16.382   4.658  -4.251
  239    HB3  ALA  28          3HB       ALA  28  15.575   3.733  -5.515
  Start of MODEL   14
    1    H1   ALA   1          1H        ALA   1  14.907   0.786  -1.748
    2    H2   ALA   1          2H        ALA   1  13.730   1.668  -0.917
    3    H3   ALA   1          3H        ALA   1  13.787   1.716  -2.604
    4    HA   ALA   1           HA       ALA   1  11.995   0.314  -1.904
    5    HB1  ALA   1          1HB       ALA   1  14.288  -1.304  -3.022
    6    HB2  ALA   1          2HB       ALA   1  13.200  -0.283  -3.963
    7    HB3  ALA   1          3HB       ALA   1  12.574  -1.710  -3.134
    8    H    GLU   2           H        GLU   2  11.887   0.341   0.368
    9    HA   GLU   2           HA       GLU   2  12.483  -2.220   1.570
   10    HB2  GLU   2          1HB       GLU   2  13.476  -1.190   3.619
   11    HB3  GLU   2          2HB       GLU   2  14.510  -1.074   2.204
   12    HG2  GLU   2          1HG       GLU   2  12.742   1.172   3.163
   13    HG3  GLU   2          2HG       GLU   2  14.419   0.967   3.662
   14    H    ASP   3           H        ASP   3  11.253  -2.536   3.546
   15    HA   ASP   3           HA       ASP   3   9.269  -2.605   4.596
   16    HB2  ASP   3          1HB       ASP   3   9.741   0.356   4.395
   17    HB3  ASP   3          2HB       ASP   3   8.251  -0.268   5.081
   18    H    CYS   4           H        CYS   4   9.476  -2.442   1.573
   19    HA   CYS   4           HA       CYS   4   7.097  -1.311   0.569
   20    HB2  CYS   4          2HB       CYS   4   8.714  -3.639  -0.507
   21    HB3  CYS   4          1HB       CYS   4   7.508  -2.726  -1.409
   22    H    GLU   5           H        GLU   5   7.878  -4.400   2.034
   23    HA   GLU   5           HA       GLU   5   5.389  -5.670   1.565
   24    HB2  GLU   5          1HB       GLU   5   7.535  -6.067   3.652
   25    HB3  GLU   5          2HB       GLU   5   6.070  -7.040   3.625
   26    HG2  GLU   5          1HG       GLU   5   8.040  -6.825   1.353
   27    HG3  GLU   5          2HG       GLU   5   7.987  -8.135   2.532
   28    H    ARG   6           H        ARG   6   6.530  -3.438   4.012
   29    HA   ARG   6           HA       ARG   6   4.340  -3.688   5.798
   30    HB2  ARG   6          1HB       ARG   6   6.570  -2.607   6.312
   31    HB3  ARG   6          2HB       ARG   6   6.065  -1.235   5.338
   32    HG2  ARG   6          1HG       ARG   6   5.203  -0.347   7.189
   33    HG3  ARG   6          2HG       ARG   6   3.970  -1.607   7.146
   34    HD2  ARG   6          1HD       ARG   6   4.984  -1.588   9.328
   35    HD3  ARG   6          2HD       ARG   6   5.482  -3.059   8.490
   36    HE   ARG   6           HE       ARG   6   7.479  -1.300   7.936
   37   HH11  ARG   6          1HH1      ARG   6   6.045  -2.480  10.911
   38   HH12  ARG   6          2HH1      ARG   6   7.477  -2.194  11.856
   39   HH21  ARG   6          1HH2      ARG   6   9.354  -0.961   9.160
   40   HH22  ARG   6          2HH2      ARG   6   9.358  -1.319  10.860
   41    H    ILE   7           H        ILE   7   5.097  -1.315   3.257
   42    HA   ILE   7           HA       ILE   7   2.681   0.111   3.325
   43    HB   ILE   7           HB       ILE   7   4.475  -0.363   0.926
   44   HG12  ILE   7          1HG1      ILE   7   4.540   1.864   2.984
   45   HG13  ILE   7          2HG1      ILE   7   5.705   0.551   2.867
   46   HG21  ILE   7          1HG2      ILE   7   3.553   1.746   0.070
   47   HG22  ILE   7          2HG2      ILE   7   2.478   1.844   1.465
   48   HG23  ILE   7          3HG2      ILE   7   2.292   0.535   0.297
   49   HD11  ILE   7          1HD1      ILE   7   5.235   2.692   0.797
   50   HD12  ILE   7          2HD1      ILE   7   6.391   1.366   0.663
   51   HD13  ILE   7          3HD1      ILE   7   6.594   2.591   1.914
   52    H    ARG   8           H        ARG   8   3.711  -2.633   1.360
   53    HA   ARG   8           HA       ARG   8   1.530  -3.182  -0.188
   54    HB2  ARG   8          1HB       ARG   8   3.651  -4.436  -0.214
   55    HB3  ARG   8          2HB       ARG   8   3.238  -5.162   1.331
   56    HG2  ARG   8          1HG       ARG   8   1.323  -6.283   0.289
   57    HG3  ARG   8          2HG       ARG   8   1.756  -5.565  -1.265
   58    HD2  ARG   8          1HD       ARG   8   3.907  -6.716  -1.216
   59    HD3  ARG   8          2HD       ARG   8   3.522  -7.401   0.360
   60    HE   ARG   8           HE       ARG   8   1.518  -8.119  -1.482
   61   HH11  ARG   8          1HH1      ARG   8   4.887  -8.791  -0.741
   62   HH12  ARG   8          2HH1      ARG   8   4.835 -10.393  -1.416
   63   HH21  ARG   8          1HH2      ARG   8   1.469 -10.233  -2.352
   64   HH22  ARG   8          2HH2      ARG   8   2.907 -11.205  -2.318
   65    H    LYS   9           H        LYS   9   2.086  -4.389   3.120
   66    HA   LYS   9           HA       LYS   9  -0.353  -5.736   3.364
   67    HB2  LYS   9          1HB       LYS   9   1.523  -6.151   4.882
   68    HB3  LYS   9          2HB       LYS   9   1.358  -4.534   5.554
   69    HG2  LYS   9          1HG       LYS   9  -0.841  -5.090   6.435
   70    HG3  LYS   9          2HG       LYS   9  -0.749  -6.691   5.702
   71    HD2  LYS   9          1HD       LYS   9   1.103  -5.635   7.848
   72    HD3  LYS   9          2HD       LYS   9  -0.243  -6.742   8.107
   73    HE2  LYS   9          1HE       LYS   9   0.853  -8.357   6.572
   74    HE3  LYS   9          2HE       LYS   9   2.234  -7.267   6.464
   75    HZ1  LYS   9          1HZ       LYS   9   2.573  -7.501   8.833
   76    HZ2  LYS   9          2HZ       LYS   9   2.581  -9.022   8.091
   77    HZ3  LYS   9          3HZ       LYS   9   1.220  -8.513   8.963
   78    H    GLU  10           H        GLU  10   0.575  -2.476   4.468
   79    HA   GLU  10           HA       GLU  10  -1.906  -1.769   5.553
   80    HB2  GLU  10          1HB       GLU  10   0.514  -0.307   4.679
   81    HB3  GLU  10          2HB       GLU  10  -0.962   0.645   4.694
   82    HG2  GLU  10          1HG       GLU  10   0.248   0.873   6.786
   83    HG3  GLU  10          2HG       GLU  10  -1.317   0.111   7.041
   84    H    LEU  11           H        LEU  11  -0.808  -1.775   2.219
   85    HA   LEU  11           HA       LEU  11  -3.021  -0.284   1.189
   86    HB2  LEU  11          1HB       LEU  11  -0.866  -0.524  -0.009
   87    HB3  LEU  11          2HB       LEU  11  -1.196  -2.232  -0.233
   88    HG   LEU  11           HG       LEU  11  -3.134  -1.685  -1.645
   89   HD11  LEU  11          1HD1      LEU  11  -3.563   0.612  -2.351
   90   HD12  LEU  11          2HD1      LEU  11  -2.326   1.189  -1.236
   91   HD13  LEU  11          3HD1      LEU  11  -3.784   0.420  -0.610
   92   HD21  LEU  11          1HD2      LEU  11  -0.609  -0.271  -2.504
   93   HD22  LEU  11          2HD2      LEU  11  -1.917  -0.790  -3.566
   94   HD23  LEU  11          3HD2      LEU  11  -0.959  -1.991  -2.702
   95    H    GLU  12           H        GLU  12  -2.303  -3.707   1.650
   96    HA   GLU  12           HA       GLU  12  -4.726  -4.675   0.507
   97    HB2  GLU  12          1HB       GLU  12  -2.807  -5.944   2.479
   98    HB3  GLU  12          2HB       GLU  12  -4.157  -6.788   1.732
   99    HG2  GLU  12          1HG       GLU  12  -3.171  -6.391  -0.484
  100    HG3  GLU  12          2HG       GLU  12  -1.806  -5.576   0.280
  101    H    LYS  13           H        LYS  13  -3.804  -3.461   3.625
  102    HA   LYS  13           HA       LYS  13  -6.224  -4.306   4.965
  103    HB2  LYS  13          1HB       LYS  13  -3.949  -2.483   5.767
  104    HB3  LYS  13          2HB       LYS  13  -5.338  -2.788   6.802
  105    HG2  LYS  13          1HG       LYS  13  -3.502  -4.940   5.760
  106    HG3  LYS  13          2HG       LYS  13  -3.324  -4.159   7.332
  107    HD2  LYS  13          1HD       LYS  13  -5.753  -5.711   6.409
  108    HD3  LYS  13          2HD       LYS  13  -4.499  -6.322   7.489
  109    HE2  LYS  13          1HE       LYS  13  -6.293  -3.953   8.041
  110    HE3  LYS  13          2HE       LYS  13  -6.486  -5.567   8.725
  111    HZ1  LYS  13          1HZ       LYS  13  -4.129  -3.802   9.139
  112    HZ2  LYS  13          2HZ       LYS  13  -4.353  -5.335   9.817
  113    HZ3  LYS  13          3HZ       LYS  13  -5.372  -4.060  10.259
  114    H    ASN  14           H        ASN  14  -5.048  -1.510   3.267
  115    HA   ASN  14           HA       ASN  14  -7.687  -0.278   3.379
  116    HB2  ASN  14          1HB       ASN  14  -6.517   0.735   5.284
  117    HB3  ASN  14          2HB       ASN  14  -5.161   1.164   4.247
  118   HD21  ASN  14          1HD2      ASN  14  -8.543   3.418   4.302
  119   HD22  ASN  14          2HD2      ASN  14  -8.479   1.874   5.072
  120    HA   PRO  15           HA       PRO  15  -5.986  -0.125  -0.818
  121    HB2  PRO  15          2HB       PRO  15  -8.352  -0.047  -2.122
  122    HB3  PRO  15          1HB       PRO  15  -7.721  -1.539  -1.411
  123    HG2  PRO  15          2HG       PRO  15  -9.788   0.349  -0.329
  124    HG3  PRO  15          1HG       PRO  15  -9.791  -1.425  -0.345
  125    HD2  PRO  15          2HD       PRO  15  -9.095   0.056   1.845
  126    HD3  PRO  15          1HD       PRO  15  -8.459  -1.570   1.521
  127    H    ASN  16           H        ASN  16  -5.311   2.075   0.108
  128    HA   ASN  16           HA       ASN  16  -6.974   4.272  -0.908
  129    HB2  ASN  16          1HB       ASN  16  -6.249   4.511   1.406
  130    HB3  ASN  16          2HB       ASN  16  -4.568   4.280   0.937
  131   HD21  ASN  16          1HD2      ASN  16  -4.463   7.792   1.121
  132   HD22  ASN  16          2HD2      ASN  16  -4.114   6.310   1.943
  133    H    ASP  17           H        ASP  17  -6.393   5.471  -2.613
  134    HA   ASP  17           HA       ASP  17  -4.588   4.501  -4.500
  135    HB2  ASP  17          1HB       ASP  17  -5.648   7.330  -4.252
  136    HB3  ASP  17          2HB       ASP  17  -4.931   6.624  -5.697
  137    H    GLU  18           H        GLU  18  -4.161   6.821  -1.930
  138    HA   GLU  18           HA       GLU  18  -1.683   7.907  -2.717
  139    HB2  GLU  18          1HB       GLU  18  -3.399   8.533  -0.789
  140    HB3  GLU  18          2HB       GLU  18  -2.361   7.502   0.179
  141    HG2  GLU  18          1HG       GLU  18  -1.508   9.971  -1.326
  142    HG3  GLU  18          2HG       GLU  18  -1.773   9.847   0.410
  143    H    ILE  19           H        ILE  19  -2.447   5.276  -0.435
  144    HA   ILE  19           HA       ILE  19   0.202   4.496   0.103
  145    HB   ILE  19           HB       ILE  19  -2.283   2.754   0.183
  146   HG12  ILE  19          1HG1      ILE  19  -2.608   4.778   1.524
  147   HG13  ILE  19          2HG1      ILE  19  -2.409   3.383   2.577
  148   HG21  ILE  19          1HG2      ILE  19   0.382   2.469   1.583
  149   HG22  ILE  19          2HG2      ILE  19  -0.247   1.440   0.295
  150   HG23  ILE  19          3HG2      ILE  19  -1.037   1.459   1.873
  151   HD11  ILE  19          1HD1      ILE  19  -1.220   5.311   3.435
  152   HD12  ILE  19          2HD1      ILE  19  -0.292   5.429   1.940
  153   HD13  ILE  19          3HD1      ILE  19  -0.090   4.030   2.996
  154    H    LYS  20           H        LYS  20  -2.104   3.524  -2.364
  155    HA   LYS  20           HA       LYS  20  -0.670   1.462  -3.601
  156    HB2  LYS  20          1HB       LYS  20  -2.969   1.857  -4.193
  157    HB3  LYS  20          2HB       LYS  20  -2.625   3.509  -4.677
  158    HG2  LYS  20          1HG       LYS  20  -2.978   2.169  -6.638
  159    HG3  LYS  20          2HG       LYS  20  -1.284   2.656  -6.568
  160    HD2  LYS  20          1HD       LYS  20  -0.667   0.451  -5.722
  161    HD3  LYS  20          2HD       LYS  20  -2.364  -0.038  -5.711
  162    HE2  LYS  20          1HE       LYS  20  -0.753   0.727  -8.156
  163    HE3  LYS  20          2HE       LYS  20  -1.198  -0.913  -7.684
  164    HZ1  LYS  20          1HZ       LYS  20  -3.096   1.260  -8.403
  165    HZ2  LYS  20          2HZ       LYS  20  -3.528  -0.310  -7.949
  166    HZ3  LYS  20          3HZ       LYS  20  -2.679  -0.051  -9.387
  167    H    LYS  21           H        LYS  21  -0.650   4.967  -4.136
  168    HA   LYS  21           HA       LYS  21   1.189   5.042  -6.264
  169    HB2  LYS  21          1HB       LYS  21  -0.318   6.894  -4.769
  170    HB3  LYS  21          2HB       LYS  21   1.349   7.393  -4.558
  171    HG2  LYS  21          1HG       LYS  21   0.793   6.801  -7.340
  172    HG3  LYS  21          2HG       LYS  21  -0.349   7.981  -6.703
  173    HD2  LYS  21          1HD       LYS  21   1.452   9.244  -7.559
  174    HD3  LYS  21          2HD       LYS  21   1.670   9.247  -5.809
  175    HE2  LYS  21          1HE       LYS  21   3.805   8.873  -6.839
  176    HE3  LYS  21          2HE       LYS  21   3.292   7.371  -6.069
  177    HZ1  LYS  21          1HZ       LYS  21   4.211   7.012  -8.286
  178    HZ2  LYS  21          2HZ       LYS  21   3.014   7.993  -8.958
  179    HZ3  LYS  21          3HZ       LYS  21   2.592   6.536  -8.213
  180    H    LYS  22           H        LYS  22   1.592   5.081  -2.773
  181    HA   LYS  22           HA       LYS  22   4.386   5.587  -2.754
  182    HB2  LYS  22          1HB       LYS  22   2.567   4.283  -0.716
  183    HB3  LYS  22          2HB       LYS  22   4.261   4.650  -0.414
  184    HG2  LYS  22          1HG       LYS  22   2.184   6.709  -1.155
  185    HG3  LYS  22          2HG       LYS  22   2.686   6.337   0.498
  186    HD2  LYS  22          1HD       LYS  22   4.961   7.019  -0.006
  187    HD3  LYS  22          2HD       LYS  22   4.535   7.292  -1.697
  188    HE2  LYS  22          1HE       LYS  22   4.663   9.369  -0.313
  189    HE3  LYS  22          2HE       LYS  22   3.113   9.125  -1.118
  190    HZ1  LYS  22          1HZ       LYS  22   2.926   9.852   1.222
  191    HZ2  LYS  22          2HZ       LYS  22   3.647   8.403   1.713
  192    HZ3  LYS  22          3HZ       LYS  22   2.153   8.379   0.919
  193    H    LEU  23           H        LEU  23   2.476   2.595  -2.673
  194    HA   LEU  23           HA       LEU  23   4.695   0.845  -2.415
  195    HB2  LEU  23          1HB       LEU  23   2.279   0.297  -1.913
  196    HB3  LEU  23          2HB       LEU  23   2.006   0.198  -3.642
  197    HG   LEU  23           HG       LEU  23   3.653  -1.650  -3.783
  198   HD11  LEU  23          1HD1      LEU  23   3.732  -1.433  -0.774
  199   HD12  LEU  23          2HD1      LEU  23   5.057  -1.070  -1.880
  200   HD13  LEU  23          3HD1      LEU  23   4.459  -2.722  -1.734
  201   HD21  LEU  23          1HD2      LEU  23   1.282  -2.168  -3.548
  202   HD22  LEU  23          2HD2      LEU  23   1.429  -2.110  -1.790
  203   HD23  LEU  23          3HD2      LEU  23   2.269  -3.363  -2.704
  204    H    GLU  24           H        GLU  24   3.172   2.418  -5.100
  205    HA   GLU  24           HA       GLU  24   4.115   0.994  -7.287
  206    HB2  GLU  24          1HB       GLU  24   2.580   2.878  -7.499
  207    HB3  GLU  24          2HB       GLU  24   3.816   3.985  -6.918
  208    HG2  GLU  24          1HG       GLU  24   5.161   3.146  -8.988
  209    HG3  GLU  24          2HG       GLU  24   3.581   2.632  -9.576
  210    H    LYS  25           H        LYS  25   5.703   3.664  -5.539
  211    HA   LYS  25           HA       LYS  25   8.130   3.420  -7.073
  212    HB2  LYS  25          1HB       LYS  25   7.304   5.596  -6.208
  213    HB3  LYS  25          2HB       LYS  25   7.568   5.026  -4.566
  214    HG2  LYS  25          1HG       LYS  25   9.946   4.947  -4.911
  215    HG3  LYS  25          2HG       LYS  25   9.753   5.302  -6.628
  216    HD2  LYS  25          1HD       LYS  25  10.454   7.294  -5.412
  217    HD3  LYS  25          2HD       LYS  25   8.831   7.509  -6.071
  218    HE2  LYS  25          1HE       LYS  25   8.876   8.387  -3.836
  219    HE3  LYS  25          2HE       LYS  25   7.914   6.911  -3.831
  220    HZ1  LYS  25          1HZ       LYS  25   9.392   6.989  -1.936
  221    HZ2  LYS  25          2HZ       LYS  25  10.738   7.156  -2.945
  222    HZ3  LYS  25          3HZ       LYS  25   9.844   5.721  -2.960
  223    H    CYS  26           H        CYS  26   6.824   1.908  -4.340
  224    HA   CYS  26           HA       CYS  26   9.439   1.004  -3.355
  225    HB2  CYS  26          2HB       CYS  26   7.312   1.767  -1.907
  226    HB3  CYS  26          1HB       CYS  26   6.874   0.076  -2.118
  227    H    GLN  27           H        GLN  27   8.374   0.243  -5.954
  228    HA   GLN  27           HA       GLN  27   7.371  -2.400  -5.877
  229    HB2  GLN  27          1HB       GLN  27   8.028  -2.461  -8.294
  230    HB3  GLN  27          2HB       GLN  27   7.014  -1.094  -7.853
  231    HG2  GLN  27          1HG       GLN  27   9.061   0.322  -7.746
  232    HG3  GLN  27          2HG       GLN  27   9.991  -1.056  -8.334
  233   HE21  GLN  27          1HE2      GLN  27   9.540   0.333 -11.501
  234   HE22  GLN  27          2HE2      GLN  27  10.625  -0.011 -10.200
  235    H    ALA  28           H        ALA  28   8.725  -3.375  -4.320
  236    HA   ALA  28           HA       ALA  28  11.502  -3.714  -4.560
  237    HB1  ALA  28          1HB       ALA  28   9.483  -5.513  -3.207
  238    HB2  ALA  28          2HB       ALA  28  10.301  -4.134  -2.471
  239    HB3  ALA  28          3HB       ALA  28  11.230  -5.553  -2.958
  Start of MODEL   15
    1    H1   ALA   1          1H        ALA   1   9.971   3.604  -2.205
    2    H2   ALA   1          2H        ALA   1  11.072   4.486  -1.283
    3    H3   ALA   1          3H        ALA   1   9.498   5.062  -1.490
    4    HA   ALA   1           HA       ALA   1   9.766   4.131   0.700
    5    HB1  ALA   1          1HB       ALA   1   7.891   2.555   0.653
    6    HB2  ALA   1          2HB       ALA   1   8.044   2.424  -1.099
    7    HB3  ALA   1          3HB       ALA   1   7.579   3.958  -0.367
    8    H    GLU   2           H        GLU   2  10.497   2.496   2.045
    9    HA   GLU   2           HA       GLU   2  12.243   0.516   0.733
   10    HB2  GLU   2          1HB       GLU   2  12.411   1.426   3.610
   11    HB3  GLU   2          2HB       GLU   2  13.628   0.567   2.678
   12    HG2  GLU   2          1HG       GLU   2  12.768   3.435   2.368
   13    HG3  GLU   2          2HG       GLU   2  14.320   2.839   2.949
   14    H    ASP   3           H        ASP   3   9.527   0.894   2.849
   15    HA   ASP   3           HA       ASP   3   9.707  -1.864   3.815
   16    HB2  ASP   3          1HB       ASP   3   7.777   0.353   4.553
   17    HB3  ASP   3          2HB       ASP   3   7.790  -1.254   5.268
   18    H    CYS   4           H        CYS   4   9.321  -2.770   1.717
   19    HA   CYS   4           HA       CYS   4   7.000  -2.189   0.213
   20    HB2  CYS   4          2HB       CYS   4   8.854  -4.574   0.107
   21    HB3  CYS   4          1HB       CYS   4   7.601  -4.227  -1.084
   22    H    GLU   5           H        GLU   5   7.759  -5.002   2.333
   23    HA   GLU   5           HA       GLU   5   5.270  -6.259   1.820
   24    HB2  GLU   5          1HB       GLU   5   5.766  -7.775   3.609
   25    HB3  GLU   5          2HB       GLU   5   7.270  -7.452   2.758
   26    HG2  GLU   5          1HG       GLU   5   8.056  -6.048   4.506
   27    HG3  GLU   5          2HG       GLU   5   6.478  -6.029   5.289
   28    H    ARG   6           H        ARG   6   6.383  -4.047   4.347
   29    HA   ARG   6           HA       ARG   6   4.095  -4.099   5.961
   30    HB2  ARG   6          1HB       ARG   6   6.110  -3.029   6.775
   31    HB3  ARG   6          2HB       ARG   6   6.063  -1.852   5.464
   32    HG2  ARG   6          1HG       ARG   6   3.916  -0.997   6.360
   33    HG3  ARG   6          2HG       ARG   6   4.076  -2.107   7.719
   34    HD2  ARG   6          1HD       ARG   6   6.070  -0.980   8.471
   35    HD3  ARG   6          2HD       ARG   6   6.080   0.047   7.032
   36    HE   ARG   6           HE       ARG   6   3.629   0.465   8.198
   37   HH11  ARG   6          1HH1      ARG   6   6.974   0.879   9.192
   38   HH12  ARG   6          2HH1      ARG   6   6.606   2.163  10.295
   39   HH21  ARG   6          1HH2      ARG   6   3.166   2.144   9.648
   40   HH22  ARG   6          2HH2      ARG   6   4.445   2.881  10.560
   41    H    ILE   7           H        ILE   7   4.996  -1.659   3.504
   42    HA   ILE   7           HA       ILE   7   2.616  -0.203   3.645
   43    HB   ILE   7           HB       ILE   7   4.590  -0.486   1.368
   44   HG12  ILE   7          1HG1      ILE   7   4.176   1.687   3.445
   45   HG13  ILE   7          2HG1      ILE   7   5.475   0.498   3.450
   46   HG21  ILE   7          1HG2      ILE   7   2.445   0.226   0.448
   47   HG22  ILE   7          2HG2      ILE   7   3.602   1.555   0.416
   48   HG23  ILE   7          3HG2      ILE   7   2.339   1.513   1.649
   49   HD11  ILE   7          1HD1      ILE   7   6.337   1.441   1.367
   50   HD12  ILE   7          2HD1      ILE   7   6.254   2.647   2.651
   51   HD13  ILE   7          3HD1      ILE   7   5.038   2.635   1.375
   52    H    ARG   8           H        ARG   8   3.448  -3.013   1.664
   53    HA   ARG   8           HA       ARG   8   1.150  -2.975   0.013
   54    HB2  ARG   8          1HB       ARG   8   3.204  -4.338  -0.393
   55    HB3  ARG   8          2HB       ARG   8   2.731  -5.389   0.929
   56    HG2  ARG   8          1HG       ARG   8   0.956  -6.306  -0.241
   57    HG3  ARG   8          2HG       ARG   8   0.847  -4.936  -1.350
   58    HD2  ARG   8          1HD       ARG   8   1.783  -7.024  -2.369
   59    HD3  ARG   8          2HD       ARG   8   2.824  -5.609  -2.507
   60    HE   ARG   8           HE       ARG   8   3.285  -7.516  -0.320
   61   HH11  ARG   8          1HH1      ARG   8   4.319  -6.149  -3.379
   62   HH12  ARG   8          2HH1      ARG   8   5.957  -6.699  -3.209
   63   HH21  ARG   8          1HH2      ARG   8   5.451  -8.266  -0.128
   64   HH22  ARG   8          2HH2      ARG   8   6.595  -7.880  -1.378
   65    H    LYS   9           H        LYS   9   1.860  -4.694   3.028
   66    HA   LYS   9           HA       LYS   9  -0.642  -5.952   3.302
   67    HB2  LYS   9          1HB       LYS   9   1.427  -5.166   5.361
   68    HB3  LYS   9          2HB       LYS   9  -0.008  -6.105   5.756
   69    HG2  LYS   9          1HG       LYS   9   2.024  -6.948   3.692
   70    HG3  LYS   9          2HG       LYS   9   2.080  -7.444   5.384
   71    HD2  LYS   9          1HD       LYS   9   0.043  -8.652   5.199
   72    HD3  LYS   9          2HD       LYS   9  -0.341  -7.912   3.644
   73    HE2  LYS   9          1HE       LYS   9   0.455 -10.279   3.492
   74    HE3  LYS   9          2HE       LYS   9   1.403  -9.129   2.551
   75    HZ1  LYS   9          1HZ       LYS   9   2.165 -10.133   5.238
   76    HZ2  LYS   9          2HZ       LYS   9   3.094  -9.147   4.226
   77    HZ3  LYS   9          3HZ       LYS   9   2.762 -10.739   3.779
   78    H    GLU  10           H        GLU  10   0.537  -2.822   4.435
   79    HA   GLU  10           HA       GLU  10  -1.833  -2.151   5.875
   80    HB2  GLU  10          1HB       GLU  10   0.335  -0.328   4.800
   81    HB3  GLU  10          2HB       GLU  10  -0.887   0.112   5.990
   82    HG2  GLU  10          1HG       GLU  10   0.035  -1.634   7.499
   83    HG3  GLU  10          2HG       GLU  10   1.324  -1.906   6.328
   84    H    LEU  11           H        LEU  11  -0.793  -1.836   2.581
   85    HA   LEU  11           HA       LEU  11  -2.689   0.109   1.745
   86    HB2  LEU  11          1HB       LEU  11  -0.702  -0.296   0.440
   87    HB3  LEU  11          2HB       LEU  11  -1.125  -1.986   0.235
   88    HG   LEU  11           HG       LEU  11  -3.086  -1.304  -1.127
   89   HD11  LEU  11          1HD1      LEU  11  -3.463   0.910  -0.203
   90   HD12  LEU  11          2HD1      LEU  11  -3.235   1.003  -1.948
   91   HD13  LEU  11          3HD1      LEU  11  -1.925   1.470  -0.861
   92   HD21  LEU  11          1HD2      LEU  11  -1.022  -1.939  -2.227
   93   HD22  LEU  11          2HD2      LEU  11  -0.402  -0.293  -2.080
   94   HD23  LEU  11          3HD2      LEU  11  -1.795  -0.627  -3.114
   95    H    GLU  12           H        GLU  12  -2.588  -3.430   1.517
   96    HA   GLU  12           HA       GLU  12  -5.075  -3.670   0.207
   97    HB2  GLU  12          1HB       GLU  12  -3.533  -5.694   1.839
   98    HB3  GLU  12          2HB       GLU  12  -4.907  -6.072   0.806
   99    HG2  GLU  12          1HG       GLU  12  -2.290  -4.884  -0.121
  100    HG3  GLU  12          2HG       GLU  12  -2.766  -6.574  -0.274
  101    H    LYS  13           H        LYS  13  -4.203  -3.609   3.627
  102    HA   LYS  13           HA       LYS  13  -6.897  -4.263   4.471
  103    HB2  LYS  13          1HB       LYS  13  -6.107  -3.955   6.735
  104    HB3  LYS  13          2HB       LYS  13  -4.925  -4.901   5.844
  105    HG2  LYS  13          1HG       LYS  13  -3.524  -2.926   5.578
  106    HG3  LYS  13          2HG       LYS  13  -4.721  -1.948   6.424
  107    HD2  LYS  13          1HD       LYS  13  -2.941  -2.492   7.953
  108    HD3  LYS  13          2HD       LYS  13  -4.388  -3.371   8.441
  109    HE2  LYS  13          1HE       LYS  13  -2.225  -4.607   6.740
  110    HE3  LYS  13          2HE       LYS  13  -2.190  -4.651   8.501
  111    HZ1  LYS  13          1HZ       LYS  13  -4.383  -5.765   8.417
  112    HZ2  LYS  13          2HZ       LYS  13  -3.144  -6.663   7.703
  113    HZ3  LYS  13          3HZ       LYS  13  -4.253  -5.848   6.730
  114    H    ASN  14           H        ASN  14  -5.243  -1.448   3.493
  115    HA   ASN  14           HA       ASN  14  -7.520   0.218   4.247
  116    HB2  ASN  14          1HB       ASN  14  -6.003   0.557   6.112
  117    HB3  ASN  14          2HB       ASN  14  -4.653   0.837   5.019
  118   HD21  ASN  14          1HD2      ASN  14  -5.293   4.215   4.599
  119   HD22  ASN  14          2HD2      ASN  14  -4.319   2.837   4.208
  120    HA   PRO  15           HA       PRO  15  -6.181   0.572  -0.114
  121    HB2  PRO  15          2HB       PRO  15  -8.982   1.380  -0.556
  122    HB3  PRO  15          1HB       PRO  15  -8.079   0.035  -1.257
  123    HG2  PRO  15          2HG       PRO  15 -10.024  -0.354   0.561
  124    HG3  PRO  15          1HG       PRO  15  -8.585  -1.389   0.492
  125    HD2  PRO  15          2HD       PRO  15  -9.201   0.881   2.358
  126    HD3  PRO  15          1HD       PRO  15  -8.473  -0.702   2.711
  127    H    ASN  16           H        ASN  16  -4.929   2.389  -0.151
  128    HA   ASN  16           HA       ASN  16  -6.340   4.890  -0.721
  129    HB2  ASN  16          1HB       ASN  16  -4.205   4.536   1.376
  130    HB3  ASN  16          2HB       ASN  16  -4.446   6.090   0.581
  131   HD21  ASN  16          1HD2      ASN  16  -7.159   4.698   3.280
  132   HD22  ASN  16          2HD2      ASN  16  -5.915   3.674   2.643
  133    H    ASP  17           H        ASP  17  -5.498   6.052  -2.319
  134    HA   ASP  17           HA       ASP  17  -3.946   4.705  -4.215
  135    HB2  ASP  17          1HB       ASP  17  -4.566   7.668  -4.076
  136    HB3  ASP  17          2HB       ASP  17  -4.065   6.779  -5.514
  137    H    GLU  18           H        GLU  18  -3.076   7.455  -2.117
  138    HA   GLU  18           HA       GLU  18  -0.504   7.890  -3.129
  139    HB2  GLU  18          1HB       GLU  18  -1.470   8.303  -0.286
  140    HB3  GLU  18          2HB       GLU  18  -0.030   9.026  -0.996
  141    HG2  GLU  18          1HG       GLU  18  -1.454  10.211  -2.620
  142    HG3  GLU  18          2HG       GLU  18  -2.881   9.520  -1.849
  143    H    ILE  19           H        ILE  19  -1.608   5.769  -0.523
  144    HA   ILE  19           HA       ILE  19   0.935   4.779   0.222
  145    HB   ILE  19           HB       ILE  19  -1.840   3.626   0.577
  146   HG12  ILE  19          1HG1      ILE  19  -1.400   4.162   2.983
  147   HG13  ILE  19          2HG1      ILE  19   0.120   4.908   2.506
  148   HG21  ILE  19          1HG2      ILE  19   0.759   2.516   1.642
  149   HG22  ILE  19          2HG2      ILE  19  -0.304   1.750   0.459
  150   HG23  ILE  19          3HG2      ILE  19  -0.853   1.978   2.121
  151   HD11  ILE  19          1HD1      ILE  19  -1.618   6.562   2.902
  152   HD12  ILE  19          2HD1      ILE  19  -2.625   5.811   1.665
  153   HD13  ILE  19          3HD1      ILE  19  -1.102   6.574   1.215
  154    H    LYS  20           H        LYS  20  -1.460   3.750  -2.159
  155    HA   LYS  20           HA       LYS  20  -0.193   1.365  -2.969
  156    HB2  LYS  20          1HB       LYS  20  -2.518   1.969  -3.560
  157    HB3  LYS  20          2HB       LYS  20  -1.915   3.237  -4.617
  158    HG2  LYS  20          1HG       LYS  20  -0.847   1.570  -6.040
  159    HG3  LYS  20          2HG       LYS  20  -1.389   0.284  -4.959
  160    HD2  LYS  20          1HD       LYS  20  -3.230   2.168  -6.450
  161    HD3  LYS  20          2HD       LYS  20  -2.806   0.545  -6.991
  162    HE2  LYS  20          1HE       LYS  20  -4.130   1.145  -4.342
  163    HE3  LYS  20          2HE       LYS  20  -5.013   0.713  -5.803
  164    HZ1  LYS  20          1HZ       LYS  20  -4.660  -1.206  -4.389
  165    HZ2  LYS  20          2HZ       LYS  20  -2.985  -0.990  -4.449
  166    HZ3  LYS  20          3HZ       LYS  20  -3.835  -1.392  -5.852
  167    H    LYS  21           H        LYS  21   0.210   4.723  -3.948
  168    HA   LYS  21           HA       LYS  21   2.075   4.173  -6.040
  169    HB2  LYS  21          1HB       LYS  21   1.540   6.743  -4.530
  170    HB3  LYS  21          2HB       LYS  21   2.516   6.612  -5.988
  171    HG2  LYS  21          1HG       LYS  21  -0.448   6.124  -5.726
  172    HG3  LYS  21          2HG       LYS  21   0.354   7.439  -6.587
  173    HD2  LYS  21          1HD       LYS  21   1.391   5.703  -8.087
  174    HD3  LYS  21          2HD       LYS  21   0.369   4.501  -7.297
  175    HE2  LYS  21          1HE       LYS  21  -0.665   5.208  -9.362
  176    HE3  LYS  21          2HE       LYS  21  -1.627   5.782  -8.000
  177    HZ1  LYS  21          1HZ       LYS  21  -0.703   7.964  -8.261
  178    HZ2  LYS  21          2HZ       LYS  21  -1.307   7.459  -9.757
  179    HZ3  LYS  21          3HZ       LYS  21   0.359   7.435  -9.467
  180    H    LYS  22           H        LYS  22   2.302   4.735  -2.594
  181    HA   LYS  22           HA       LYS  22   5.115   4.978  -2.416
  182    HB2  LYS  22          1HB       LYS  22   3.018   3.984  -0.487
  183    HB3  LYS  22          2HB       LYS  22   4.725   3.956  -0.070
  184    HG2  LYS  22          1HG       LYS  22   4.872   6.356  -0.292
  185    HG3  LYS  22          2HG       LYS  22   3.204   6.437  -0.867
  186    HD2  LYS  22          1HD       LYS  22   2.342   5.808   1.250
  187    HD3  LYS  22          2HD       LYS  22   3.927   5.296   1.829
  188    HE2  LYS  22          1HE       LYS  22   3.181   7.462   2.783
  189    HE3  LYS  22          2HE       LYS  22   4.701   7.575   1.898
  190    HZ1  LYS  22          1HZ       LYS  22   3.184   9.416   1.424
  191    HZ2  LYS  22          2HZ       LYS  22   2.044   8.334   0.806
  192    HZ3  LYS  22          3HZ       LYS  22   3.538   8.523   0.032
  193    H    LEU  23           H        LEU  23   2.980   2.132  -2.281
  194    HA   LEU  23           HA       LEU  23   5.009   0.188  -2.071
  195    HB2  LEU  23          1HB       LEU  23   2.539  -0.137  -1.677
  196    HB3  LEU  23          2HB       LEU  23   2.307  -0.114  -3.411
  197    HG   LEU  23           HG       LEU  23   2.342  -2.397  -2.281
  198   HD11  LEU  23          1HD1      LEU  23   4.315  -1.956  -4.520
  199   HD12  LEU  23          2HD1      LEU  23   2.570  -2.135  -4.704
  200   HD13  LEU  23          3HD1      LEU  23   3.536  -3.481  -4.097
  201   HD21  LEU  23          1HD2      LEU  23   4.521  -3.384  -1.811
  202   HD22  LEU  23          2HD2      LEU  23   4.219  -1.993  -0.773
  203   HD23  LEU  23          3HD2      LEU  23   5.307  -1.842  -2.155
  204    H    GLU  24           H        GLU  24   3.376   1.621  -4.842
  205    HA   GLU  24           HA       GLU  24   4.518   0.369  -6.992
  206    HB2  GLU  24          1HB       GLU  24   2.858   2.024  -7.362
  207    HB3  GLU  24          2HB       GLU  24   3.777   3.248  -6.502
  208    HG2  GLU  24          1HG       GLU  24   5.478   3.126  -8.354
  209    HG3  GLU  24          2HG       GLU  24   4.328   2.118  -9.234
  210    H    LYS  25           H        LYS  25   5.876   3.011  -5.066
  211    HA   LYS  25           HA       LYS  25   8.421   2.802  -6.513
  212    HB2  LYS  25          1HB       LYS  25   7.242   4.895  -4.685
  213    HB3  LYS  25          2HB       LYS  25   8.943   4.912  -5.140
  214    HG2  LYS  25          1HG       LYS  25   8.372   5.135  -7.475
  215    HG3  LYS  25          2HG       LYS  25   6.657   4.954  -7.109
  216    HD2  LYS  25          1HD       LYS  25   8.347   7.190  -5.991
  217    HD3  LYS  25          2HD       LYS  25   7.462   7.318  -7.513
  218    HE2  LYS  25          1HE       LYS  25   6.238   6.725  -4.815
  219    HE3  LYS  25          2HE       LYS  25   6.205   8.284  -5.637
  220    HZ1  LYS  25          1HZ       LYS  25   4.150   7.190  -6.037
  221    HZ2  LYS  25          2HZ       LYS  25   4.910   5.766  -6.533
  222    HZ3  LYS  25          3HZ       LYS  25   5.017   7.154  -7.488
  223    H    CYS  26           H        CYS  26   7.579   0.740  -4.685
  224    HA   CYS  26           HA       CYS  26   9.858   0.918  -2.816
  225    HB2  CYS  26          2HB       CYS  26   7.598   0.765  -1.691
  226    HB3  CYS  26          1HB       CYS  26   7.407  -0.822  -2.429
  227    H    GLN  27           H        GLN  27   7.816  -1.407  -4.594
  228    HA   GLN  27           HA       GLN  27   9.921  -3.356  -4.714
  229    HB2  GLN  27          1HB       GLN  27   8.327  -4.591  -6.219
  230    HB3  GLN  27          2HB       GLN  27   7.693  -4.202  -4.627
  231    HG2  GLN  27          1HG       GLN  27   6.495  -2.274  -5.617
  232    HG3  GLN  27          2HG       GLN  27   7.069  -2.773  -7.208
  233   HE21  GLN  27          1HE2      GLN  27   4.013  -4.453  -7.472
  234   HE22  GLN  27          2HE2      GLN  27   4.976  -3.113  -7.980
  235    H    ALA  28           H        ALA  28  11.586  -2.126  -5.660
  236    HA   ALA  28           HA       ALA  28  11.328  -1.791  -8.583
  237    HB1  ALA  28          1HB       ALA  28  12.844   0.134  -8.438
  238    HB2  ALA  28          2HB       ALA  28  12.883  -0.025  -6.682
  239    HB3  ALA  28          3HB       ALA  28  11.379   0.400  -7.496
  Start of MODEL   16
    1    H1   ALA   1          1H        ALA   1  12.915   4.227   3.163
    2    H2   ALA   1          2H        ALA   1  13.670   4.157   4.675
    3    H3   ALA   1          3H        ALA   1  12.185   3.385   4.432
    4    HA   ALA   1           HA       ALA   1  14.754   2.659   3.152
    5    HB1  ALA   1          1HB       ALA   1  14.560   0.605   4.489
    6    HB2  ALA   1          2HB       ALA   1  13.090   1.231   5.236
    7    HB3  ALA   1          3HB       ALA   1  14.633   2.037   5.515
    8    H    GLU   2           H        GLU   2  14.161   0.046   2.653
    9    HA   GLU   2           HA       GLU   2  12.233   0.141   0.524
   10    HB2  GLU   2          1HB       GLU   2  13.827  -2.133   1.728
   11    HB3  GLU   2          2HB       GLU   2  12.741  -2.326   0.356
   12    HG2  GLU   2          1HG       GLU   2  14.076  -0.793  -0.960
   13    HG3  GLU   2          2HG       GLU   2  15.132  -0.493   0.420
   14    H    ASP   3           H        ASP   3  10.643   0.920   2.282
   15    HA   ASP   3           HA       ASP   3   9.522  -1.073   4.040
   16    HB2  ASP   3          1HB       ASP   3   8.564   1.718   3.333
   17    HB3  ASP   3          2HB       ASP   3   7.892   0.716   4.612
   18    H    CYS   4           H        CYS   4   9.399  -1.252   0.947
   19    HA   CYS   4           HA       CYS   4   6.837  -0.980  -0.007
   20    HB2  CYS   4          2HB       CYS   4   8.925  -3.060  -0.675
   21    HB3  CYS   4          1HB       CYS   4   7.417  -2.896  -1.567
   22    H    GLU   5           H        GLU   5   8.188  -3.738   1.785
   23    HA   GLU   5           HA       GLU   5   5.929  -5.401   1.624
   24    HB2  GLU   5          1HB       GLU   5   8.124  -5.209   3.695
   25    HB3  GLU   5          2HB       GLU   5   6.901  -6.476   3.700
   26    HG2  GLU   5          1HG       GLU   5   8.835  -5.940   1.449
   27    HG3  GLU   5          2HG       GLU   5   9.019  -7.192   2.678
   28    H    ARG   6           H        ARG   6   6.805  -2.877   3.920
   29    HA   ARG   6           HA       ARG   6   4.760  -3.302   5.819
   30    HB2  ARG   6          1HB       ARG   6   6.904  -1.771   5.853
   31    HB3  ARG   6          2HB       ARG   6   5.834  -0.566   5.160
   32    HG2  ARG   6          1HG       ARG   6   5.874  -0.160   7.478
   33    HG3  ARG   6          2HG       ARG   6   4.322  -0.941   7.157
   34    HD2  ARG   6          1HD       ARG   6   5.610  -1.777   9.185
   35    HD3  ARG   6          2HD       ARG   6   5.062  -3.006   8.044
   36    HE   ARG   6           HE       ARG   6   7.241  -3.520   7.592
   37   HH11  ARG   6          1HH1      ARG   6   7.183  -0.434   9.268
   38   HH12  ARG   6          2HH1      ARG   6   8.912  -0.301   9.324
   39   HH21  ARG   6          1HH2      ARG   6   9.506  -3.320   7.656
   40   HH22  ARG   6          2HH2      ARG   6  10.230  -1.931   8.412
   41    H    ILE   7           H        ILE   7   5.037  -0.926   3.213
   42    HA   ILE   7           HA       ILE   7   2.452   0.151   3.417
   43    HB   ILE   7           HB       ILE   7   4.213   0.042   0.950
   44   HG12  ILE   7          1HG1      ILE   7   4.120   2.113   3.171
   45   HG13  ILE   7          2HG1      ILE   7   5.423   0.964   2.897
   46   HG21  ILE   7          1HG2      ILE   7   3.033   2.102   0.296
   47   HG22  ILE   7          2HG2      ILE   7   1.996   1.947   1.715
   48   HG23  ILE   7          3HG2      ILE   7   1.938   0.728   0.442
   49   HD11  ILE   7          1HD1      ILE   7   4.599   3.198   1.056
   50   HD12  ILE   7          2HD1      ILE   7   5.870   2.019   0.726
   51   HD13  ILE   7          3HD1      ILE   7   6.036   3.141   2.075
   52    H    ARG   8           H        ARG   8   3.755  -2.516   1.513
   53    HA   ARG   8           HA       ARG   8   1.533  -3.097  -0.084
   54    HB2  ARG   8          1HB       ARG   8   3.816  -4.111  -0.317
   55    HB3  ARG   8          2HB       ARG   8   3.487  -5.090   1.102
   56    HG2  ARG   8          1HG       ARG   8   1.637  -6.180  -0.056
   57    HG3  ARG   8          2HG       ARG   8   1.927  -5.179  -1.479
   58    HD2  ARG   8          1HD       ARG   8   2.891  -7.425  -1.727
   59    HD3  ARG   8          2HD       ARG   8   4.128  -6.170  -1.762
   60    HE   ARG   8           HE       ARG   8   5.065  -7.095   0.098
   61   HH11  ARG   8          1HH1      ARG   8   1.770  -8.256  -0.158
   62   HH12  ARG   8          2HH1      ARG   8   1.926  -9.370   1.162
   63   HH21  ARG   8          1HH2      ARG   8   5.278  -8.571   1.825
   64   HH22  ARG   8          2HH2      ARG   8   3.922  -9.548   2.290
   65    H    LYS   9           H        LYS   9   2.457  -4.287   3.112
   66    HA   LYS   9           HA       LYS   9   0.271  -6.020   3.451
   67    HB2  LYS   9          1HB       LYS   9   2.447  -5.934   4.807
   68    HB3  LYS   9          2HB       LYS   9   1.707  -4.623   5.715
   69    HG2  LYS   9          1HG       LYS   9   1.374  -6.600   6.977
   70    HG3  LYS   9          2HG       LYS   9  -0.186  -6.202   6.253
   71    HD2  LYS   9          1HD       LYS   9   0.200  -7.857   4.489
   72    HD3  LYS   9          2HD       LYS   9   1.778  -8.240   5.181
   73    HE2  LYS   9          1HE       LYS   9   0.252  -9.933   5.891
   74    HE3  LYS   9          2HE       LYS   9   0.592  -8.915   7.289
   75    HZ1  LYS   9          1HZ       LYS   9  -1.509  -7.738   6.827
   76    HZ2  LYS   9          2HZ       LYS   9  -1.745  -9.374   7.179
   77    HZ3  LYS   9          3HZ       LYS   9  -1.834  -8.831   5.581
   78    H    GLU  10           H        GLU  10   0.740  -2.620   4.313
   79    HA   GLU  10           HA       GLU  10  -1.790  -2.285   5.575
   80    HB2  GLU  10          1HB       GLU  10   0.412  -0.723   5.352
   81    HB3  GLU  10          2HB       GLU  10  -0.589   0.024   4.117
   82    HG2  GLU  10          1HG       GLU  10  -1.261  -0.309   7.035
   83    HG3  GLU  10          2HG       GLU  10  -0.842   1.189   6.213
   84    H    LEU  11           H        LEU  11  -0.658  -2.102   2.272
   85    HA   LEU  11           HA       LEU  11  -2.975  -0.835   1.156
   86    HB2  LEU  11          1HB       LEU  11  -0.546  -0.933   0.245
   87    HB3  LEU  11          2HB       LEU  11  -0.972  -2.516  -0.362
   88    HG   LEU  11           HG       LEU  11  -1.071  -0.674  -2.053
   89   HD11  LEU  11          1HD1      LEU  11  -3.162  -1.339  -3.078
   90   HD12  LEU  11          2HD1      LEU  11  -3.708  -2.046  -1.557
   91   HD13  LEU  11          3HD1      LEU  11  -2.328  -2.740  -2.404
   92   HD21  LEU  11          1HD2      LEU  11  -3.441   0.251  -0.430
   93   HD22  LEU  11          2HD2      LEU  11  -2.954   0.875  -2.006
   94   HD23  LEU  11          3HD2      LEU  11  -1.904   1.099  -0.611
   95    H    GLU  12           H        GLU  12  -1.895  -4.072   1.746
   96    HA   GLU  12           HA       GLU  12  -3.587  -5.629   0.223
   97    HB2  GLU  12          1HB       GLU  12  -1.722  -6.474   1.598
   98    HB3  GLU  12          2HB       GLU  12  -2.624  -6.097   3.057
   99    HG2  GLU  12          1HG       GLU  12  -4.302  -7.757   2.466
  100    HG3  GLU  12          2HG       GLU  12  -3.430  -8.119   0.975
  101    H    LYS  13           H        LYS  13  -4.147  -4.100   3.357
  102    HA   LYS  13           HA       LYS  13  -6.904  -4.969   3.483
  103    HB2  LYS  13          1HB       LYS  13  -5.312  -3.044   5.189
  104    HB3  LYS  13          2HB       LYS  13  -6.987  -3.481   5.500
  105    HG2  LYS  13          1HG       LYS  13  -6.350  -5.799   5.852
  106    HG3  LYS  13          2HG       LYS  13  -4.674  -5.418   5.448
  107    HD2  LYS  13          1HD       LYS  13  -5.015  -5.559   7.877
  108    HD3  LYS  13          2HD       LYS  13  -4.516  -3.942   7.378
  109    HE2  LYS  13          1HE       LYS  13  -6.919  -3.261   7.420
  110    HE3  LYS  13          2HE       LYS  13  -7.313  -4.844   8.087
  111    HZ1  LYS  13          1HZ       LYS  13  -5.530  -2.824   9.331
  112    HZ2  LYS  13          2HZ       LYS  13  -5.880  -4.345   9.976
  113    HZ3  LYS  13          3HZ       LYS  13  -7.104  -3.192   9.819
  114    H    ASN  14           H        ASN  14  -5.281  -1.797   3.292
  115    HA   ASN  14           HA       ASN  14  -7.788  -0.634   2.266
  116    HB2  ASN  14          1HB       ASN  14  -5.447   0.733   3.621
  117    HB3  ASN  14          2HB       ASN  14  -6.906   1.537   3.047
  118   HD21  ASN  14          1HD2      ASN  14  -6.840  -0.362   6.609
  119   HD22  ASN  14          2HD2      ASN  14  -5.478  -0.362   5.539
  120    HA   PRO  15           HA       PRO  15  -5.233  -0.389  -1.478
  121    HB2  PRO  15          2HB       PRO  15  -7.250  -0.263  -3.247
  122    HB3  PRO  15          1HB       PRO  15  -6.847  -1.775  -2.419
  123    HG2  PRO  15          2HG       PRO  15  -9.026   0.197  -1.809
  124    HG3  PRO  15          1HG       PRO  15  -9.103  -1.575  -1.855
  125    HD2  PRO  15          2HD       PRO  15  -8.833  -0.119   0.457
  126    HD3  PRO  15          1HD       PRO  15  -8.256  -1.788   0.269
  127    H    ASN  16           H        ASN  16  -5.523   1.905   0.150
  128    HA   ASN  16           HA       ASN  16  -6.834   4.080  -1.073
  129    HB2  ASN  16          1HB       ASN  16  -4.417   4.086   0.760
  130    HB3  ASN  16          2HB       ASN  16  -5.386   5.501   0.357
  131   HD21  ASN  16          1HD2      ASN  16  -8.246   3.773   2.111
  132   HD22  ASN  16          2HD2      ASN  16  -7.921   4.089   0.445
  133    H    ASP  17           H        ASP  17  -6.192   5.562  -2.573
  134    HA   ASP  17           HA       ASP  17  -4.530   4.771  -4.640
  135    HB2  ASP  17          1HB       ASP  17  -5.243   7.629  -3.923
  136    HB3  ASP  17          2HB       ASP  17  -4.698   7.061  -5.497
  137    H    GLU  18           H        GLU  18  -3.841   7.298  -2.233
  138    HA   GLU  18           HA       GLU  18  -1.284   7.967  -3.099
  139    HB2  GLU  18          1HB       GLU  18  -2.338   8.060  -0.261
  140    HB3  GLU  18          2HB       GLU  18  -0.986   8.991  -0.893
  141    HG2  GLU  18          1HG       GLU  18  -2.457  10.222  -2.359
  142    HG3  GLU  18          2HG       GLU  18  -3.826   9.222  -1.878
  143    H    ILE  19           H        ILE  19  -2.307   5.560  -0.734
  144    HA   ILE  19           HA       ILE  19   0.282   4.788   0.125
  145    HB   ILE  19           HB       ILE  19  -2.300   3.200   0.186
  146   HG12  ILE  19          1HG1      ILE  19  -2.560   5.334   1.340
  147   HG13  ILE  19          2HG1      ILE  19  -2.500   4.024   2.515
  148   HG21  ILE  19          1HG2      ILE  19  -1.272   1.942   2.026
  149   HG22  ILE  19          2HG2      ILE  19   0.229   2.838   1.798
  150   HG23  ILE  19          3HG2      ILE  19  -0.357   1.765   0.529
  151   HD11  ILE  19          1HD1      ILE  19  -1.234   5.928   3.288
  152   HD12  ILE  19          2HD1      ILE  19  -0.249   5.905   1.827
  153   HD13  ILE  19          3HD1      ILE  19  -0.153   4.571   2.980
  154    H    LYS  20           H        LYS  20  -1.944   3.556  -2.321
  155    HA   LYS  20           HA       LYS  20  -0.504   1.332  -3.209
  156    HB2  LYS  20          1HB       LYS  20  -2.889   1.997  -3.768
  157    HB3  LYS  20          2HB       LYS  20  -2.237   3.170  -4.894
  158    HG2  LYS  20          1HG       LYS  20  -1.670   0.219  -5.100
  159    HG3  LYS  20          2HG       LYS  20  -3.066   0.980  -5.857
  160    HD2  LYS  20          1HD       LYS  20  -1.419   2.534  -7.014
  161    HD3  LYS  20          2HD       LYS  20  -0.143   1.458  -6.439
  162    HE2  LYS  20          1HE       LYS  20  -0.691   0.804  -8.672
  163    HE3  LYS  20          2HE       LYS  20  -1.333  -0.430  -7.586
  164    HZ1  LYS  20          1HZ       LYS  20  -3.519   0.530  -7.803
  165    HZ2  LYS  20          2HZ       LYS  20  -2.904   0.213  -9.343
  166    HZ3  LYS  20          3HZ       LYS  20  -2.919   1.794  -8.753
  167    H    LYS  21           H        LYS  21  -0.389   4.731  -4.159
  168    HA   LYS  21           HA       LYS  21   1.480   4.485  -6.258
  169    HB2  LYS  21          1HB       LYS  21   0.843   6.854  -4.477
  170    HB3  LYS  21          2HB       LYS  21   1.814   6.943  -5.944
  171    HG2  LYS  21          1HG       LYS  21  -0.078   6.301  -7.295
  172    HG3  LYS  21          2HG       LYS  21  -1.062   6.032  -5.853
  173    HD2  LYS  21          1HD       LYS  21  -1.613   8.173  -6.883
  174    HD3  LYS  21          2HD       LYS  21  -0.889   8.417  -5.293
  175    HE2  LYS  21          1HE       LYS  21   1.253   8.953  -6.332
  176    HE3  LYS  21          2HE       LYS  21   0.572   8.641  -7.929
  177    HZ1  LYS  21          1HZ       LYS  21   0.655  11.013  -7.376
  178    HZ2  LYS  21          2HZ       LYS  21  -0.384  10.747  -6.069
  179    HZ3  LYS  21          3HZ       LYS  21  -0.926  10.480  -7.649
  180    H    LYS  22           H        LYS  22   1.892   5.260  -2.804
  181    HA   LYS  22           HA       LYS  22   4.713   5.618  -3.054
  182    HB2  LYS  22          1HB       LYS  22   3.365   6.676  -1.240
  183    HB3  LYS  22          2HB       LYS  22   3.145   5.090  -0.518
  184    HG2  LYS  22          1HG       LYS  22   4.951   6.443   0.540
  185    HG3  LYS  22          2HG       LYS  22   5.493   4.880  -0.077
  186    HD2  LYS  22          1HD       LYS  22   6.221   6.093  -2.178
  187    HD3  LYS  22          2HD       LYS  22   5.902   7.602  -1.325
  188    HE2  LYS  22          1HE       LYS  22   7.781   5.479  -0.299
  189    HE3  LYS  22          2HE       LYS  22   8.299   6.815  -1.324
  190    HZ1  LYS  22          1HZ       LYS  22   7.328   8.317   0.413
  191    HZ2  LYS  22          2HZ       LYS  22   8.705   7.454   0.881
  192    HZ3  LYS  22          3HZ       LYS  22   7.178   6.959   1.413
  193    H    LEU  23           H        LEU  23   2.671   2.874  -2.564
  194    HA   LEU  23           HA       LEU  23   4.378   1.064  -1.338
  195    HB2  LEU  23          1HB       LEU  23   2.090   0.481  -1.716
  196    HB3  LEU  23          2HB       LEU  23   2.258   0.672  -3.451
  197    HG   LEU  23           HG       LEU  23   3.643  -1.326  -3.584
  198   HD11  LEU  23          1HD1      LEU  23   4.044  -2.731  -1.621
  199   HD12  LEU  23          2HD1      LEU  23   3.314  -1.497  -0.593
  200   HD13  LEU  23          3HD1      LEU  23   4.806  -1.150  -1.464
  201   HD21  LEU  23          1HD2      LEU  23   1.977  -3.001  -2.975
  202   HD22  LEU  23          2HD2      LEU  23   1.213  -1.595  -3.713
  203   HD23  LEU  23          3HD2      LEU  23   1.140  -1.822  -1.966
  204    H    GLU  24           H        GLU  24   3.901   1.496  -4.833
  205    HA   GLU  24           HA       GLU  24   5.900  -0.327  -5.621
  206    HB2  GLU  24          1HB       GLU  24   5.633   0.772  -7.868
  207    HB3  GLU  24          2HB       GLU  24   4.133   0.211  -7.141
  208    HG2  GLU  24          1HG       GLU  24   3.698   2.523  -6.355
  209    HG3  GLU  24          2HG       GLU  24   5.145   3.050  -7.211
  210    H    LYS  25           H        LYS  25   6.079   2.965  -4.614
  211    HA   LYS  25           HA       LYS  25   8.884   3.123  -5.533
  212    HB2  LYS  25          1HB       LYS  25   6.918   5.401  -5.136
  213    HB3  LYS  25          2HB       LYS  25   8.595   5.574  -5.638
  214    HG2  LYS  25          1HG       LYS  25   6.381   4.228  -7.193
  215    HG3  LYS  25          2HG       LYS  25   7.130   5.785  -7.552
  216    HD2  LYS  25          1HD       LYS  25   9.298   4.616  -7.887
  217    HD3  LYS  25          2HD       LYS  25   8.476   3.076  -7.630
  218    HE2  LYS  25          1HE       LYS  25   7.852   5.057  -9.826
  219    HE3  LYS  25          2HE       LYS  25   8.787   3.576 -10.017
  220    HZ1  LYS  25          1HZ       LYS  25   5.931   3.724  -9.206
  221    HZ2  LYS  25          2HZ       LYS  25   6.828   2.301  -9.400
  222    HZ3  LYS  25          3HZ       LYS  25   6.505   3.285 -10.733
  223    H    CYS  26           H        CYS  26   8.038   1.916  -3.105
  224    HA   CYS  26           HA       CYS  26   8.050   3.630  -0.878
  225    HB2  CYS  26          2HB       CYS  26   8.170   1.707   0.441
  226    HB3  CYS  26          1HB       CYS  26   7.441   1.109  -1.047
  227    H    GLN  27           H        GLN  27  10.575   2.750  -2.955
  228    HA   GLN  27           HA       GLN  27  12.803   2.435  -1.373
  229    HB2  GLN  27          1HB       GLN  27  12.792   2.148  -3.816
  230    HB3  GLN  27          2HB       GLN  27  12.627   3.885  -4.027
  231    HG2  GLN  27          1HG       GLN  27  14.821   4.206  -2.948
  232    HG3  GLN  27          2HG       GLN  27  14.985   2.456  -2.800
  233   HE21  GLN  27          1HE2      GLN  27  16.802   2.678  -5.777
  234   HE22  GLN  27          2HE2      GLN  27  16.847   2.436  -4.064
  235    H    ALA  28           H        ALA  28  11.162   5.423  -2.261
  236    HA   ALA  28           HA       ALA  28  12.919   6.874  -0.392
  237    HB1  ALA  28          1HB       ALA  28  11.899   7.941  -3.031
  238    HB2  ALA  28          2HB       ALA  28  13.556   7.441  -2.694
  239    HB3  ALA  28          3HB       ALA  28  12.867   8.831  -1.856
  Start of MODEL   17
    1    H1   ALA   1          1H        ALA   1  13.634   3.203   6.920
    2    H2   ALA   1          2H        ALA   1  12.706   4.612   6.910
    3    H3   ALA   1          3H        ALA   1  14.218   4.596   6.158
    4    HA   ALA   1           HA       ALA   1  12.472   4.496   4.529
    5    HB1  ALA   1          1HB       ALA   1  14.594   3.361   4.057
    6    HB2  ALA   1          2HB       ALA   1  13.238   2.508   3.322
    7    HB3  ALA   1          3HB       ALA   1  13.974   1.885   4.799
    8    H    GLU   2           H        GLU   2  10.870   3.029   3.482
    9    HA   GLU   2           HA       GLU   2   9.194   1.739   5.532
   10    HB2  GLU   2          1HB       GLU   2   8.397   2.805   2.809
   11    HB3  GLU   2          2HB       GLU   2   7.307   2.139   4.020
   12    HG2  GLU   2          1HG       GLU   2   8.929   4.668   4.266
   13    HG3  GLU   2          2HG       GLU   2   7.192   4.554   3.990
   14    H    ASP   3           H        ASP   3   9.052  -0.402   5.479
   15    HA   ASP   3           HA       ASP   3  10.313  -2.009   3.537
   16    HB2  ASP   3          1HB       ASP   3   8.119  -2.834   5.462
   17    HB3  ASP   3          2HB       ASP   3   9.242  -3.913   4.647
   18    H    CYS   4           H        CYS   4   9.651  -2.555   1.543
   19    HA   CYS   4           HA       CYS   4   7.249  -1.719   0.403
   20    HB2  CYS   4          2HB       CYS   4   8.983  -4.048  -0.466
   21    HB3  CYS   4          1HB       CYS   4   7.795  -3.213  -1.466
   22    H    GLU   5           H        GLU   5   8.101  -4.785   1.945
   23    HA   GLU   5           HA       GLU   5   5.718  -6.188   1.526
   24    HB2  GLU   5          1HB       GLU   5   7.627  -7.329   2.419
   25    HB3  GLU   5          2HB       GLU   5   7.714  -6.238   3.793
   26    HG2  GLU   5          1HG       GLU   5   6.854  -8.449   4.406
   27    HG3  GLU   5          2HG       GLU   5   5.690  -7.165   4.720
   28    H    ARG   6           H        ARG   6   6.600  -3.817   3.993
   29    HA   ARG   6           HA       ARG   6   4.280  -4.061   5.584
   30    HB2  ARG   6          1HB       ARG   6   6.431  -2.839   6.189
   31    HB3  ARG   6          2HB       ARG   6   5.876  -1.520   5.169
   32    HG2  ARG   6          1HG       ARG   6   3.759  -1.552   6.643
   33    HG3  ARG   6          2HG       ARG   6   4.732  -2.513   7.759
   34    HD2  ARG   6          1HD       ARG   6   5.275   0.286   6.779
   35    HD3  ARG   6          2HD       ARG   6   4.880  -0.216   8.421
   36    HE   ARG   6           HE       ARG   6   7.207  -1.551   7.777
   37   HH11  ARG   6          1HH1      ARG   6   6.186   1.795   7.968
   38   HH12  ARG   6          2HH1      ARG   6   7.765   2.387   8.374
   39   HH21  ARG   6          1HH2      ARG   6   9.299  -0.764   8.298
   40   HH22  ARG   6          2HH2      ARG   6   9.523   0.933   8.589
   41    H    ILE   7           H        ILE   7   5.146  -1.650   3.106
   42    HA   ILE   7           HA       ILE   7   2.717  -0.316   2.901
   43    HB   ILE   7           HB       ILE   7   4.690  -0.893   0.668
   44   HG12  ILE   7          1HG1      ILE   7   4.525   1.471   2.567
   45   HG13  ILE   7          2HG1      ILE   7   5.729   0.189   2.638
   46   HG21  ILE   7          1HG2      ILE   7   2.601   1.284   0.887
   47   HG22  ILE   7          2HG2      ILE   7   2.547  -0.107  -0.199
   48   HG23  ILE   7          3HG2      ILE   7   3.793   1.123  -0.404
   49   HD11  ILE   7          1HD1      ILE   7   6.570   0.871   0.438
   50   HD12  ILE   7          2HD1      ILE   7   6.638   2.183   1.614
   51   HD13  ILE   7          3HD1      ILE   7   5.368   2.161   0.393
   52    H    ARG   8           H        ARG   8   3.831  -3.254   1.330
   53    HA   ARG   8           HA       ARG   8   1.790  -3.789  -0.464
   54    HB2  ARG   8          1HB       ARG   8   3.848  -5.130  -0.269
   55    HB3  ARG   8          2HB       ARG   8   3.319  -5.709   1.306
   56    HG2  ARG   8          1HG       ARG   8   1.382  -6.803   0.207
   57    HG3  ARG   8          2HG       ARG   8   2.051  -6.327  -1.357
   58    HD2  ARG   8          1HD       ARG   8   3.993  -7.662  -1.032
   59    HD3  ARG   8          2HD       ARG   8   3.607  -7.934   0.666
   60    HE   ARG   8           HE       ARG   8   2.040  -9.055  -1.578
   61   HH11  ARG   8          1HH1      ARG   8   3.521  -9.353   1.593
   62   HH12  ARG   8          2HH1      ARG   8   2.862 -10.936   1.879
   63   HH21  ARG   8          1HH2      ARG   8   1.201 -11.155  -1.192
   64   HH22  ARG   8          2HH2      ARG   8   1.564 -11.959   0.309
   65    H    LYS   9           H        LYS   9   2.070  -5.075   2.866
   66    HA   LYS   9           HA       LYS   9  -0.581  -6.110   2.737
   67    HB2  LYS   9          1HB       LYS   9  -0.219  -6.773   5.109
   68    HB3  LYS   9          2HB       LYS   9   0.997  -7.361   3.992
   69    HG2  LYS   9          1HG       LYS   9   2.249  -6.719   5.810
   70    HG3  LYS   9          2HG       LYS   9   2.374  -5.312   4.756
   71    HD2  LYS   9          1HD       LYS   9   0.815  -4.083   6.064
   72    HD3  LYS   9          2HD       LYS   9   0.320  -5.525   6.958
   73    HE2  LYS   9          1HE       LYS   9   3.037  -4.206   7.068
   74    HE3  LYS   9          2HE       LYS   9   1.787  -4.123   8.313
   75    HZ1  LYS   9          1HZ       LYS   9   1.968  -6.501   8.620
   76    HZ2  LYS   9          2HZ       LYS   9   3.479  -5.776   8.828
   77    HZ3  LYS   9          3HZ       LYS   9   3.135  -6.607   7.400
   78    H    GLU  10           H        GLU  10   0.730  -3.080   3.698
   79    HA   GLU  10           HA       GLU  10  -1.518  -2.243   5.272
   80    HB2  GLU  10          1HB       GLU  10   0.643  -0.668   3.848
   81    HB3  GLU  10          2HB       GLU  10  -0.643   0.096   4.775
   82    HG2  GLU  10          1HG       GLU  10   0.121  -1.219   6.764
   83    HG3  GLU  10          2HG       GLU  10   1.501  -1.749   5.804
   84    H    LEU  11           H        LEU  11  -0.657  -2.185   1.866
   85    HA   LEU  11           HA       LEU  11  -2.910  -0.657   1.003
   86    HB2  LEU  11          1HB       LEU  11  -0.623  -1.460  -0.198
   87    HB3  LEU  11          2HB       LEU  11  -1.706  -2.689  -0.820
   88    HG   LEU  11           HG       LEU  11  -1.979   0.303  -1.187
   89   HD11  LEU  11          1HD1      LEU  11  -1.618  -0.199  -3.557
   90   HD12  LEU  11          2HD1      LEU  11  -1.359  -1.896  -3.158
   91   HD13  LEU  11          3HD1      LEU  11  -0.238  -0.670  -2.567
   92   HD21  LEU  11          1HD2      LEU  11  -3.777  -1.914  -2.165
   93   HD22  LEU  11          2HD2      LEU  11  -3.876  -0.224  -2.663
   94   HD23  LEU  11          3HD2      LEU  11  -4.189  -0.667  -0.986
   95    H    GLU  12           H        GLU  12  -2.195  -4.094   1.374
   96    HA   GLU  12           HA       GLU  12  -4.608  -5.175   0.463
   97    HB2  GLU  12          1HB       GLU  12  -2.568  -6.473   0.922
   98    HB3  GLU  12          2HB       GLU  12  -2.721  -6.120   2.637
   99    HG2  GLU  12          1HG       GLU  12  -3.469  -8.339   2.240
  100    HG3  GLU  12          2HG       GLU  12  -4.857  -7.340   2.659
  101    H    LYS  13           H        LYS  13  -3.595  -4.002   3.631
  102    HA   LYS  13           HA       LYS  13  -6.000  -4.660   5.015
  103    HB2  LYS  13          1HB       LYS  13  -3.823  -4.418   6.143
  104    HB3  LYS  13          2HB       LYS  13  -3.775  -2.717   5.704
  105    HG2  LYS  13          1HG       LYS  13  -4.408  -2.856   7.983
  106    HG3  LYS  13          2HG       LYS  13  -5.839  -2.382   7.070
  107    HD2  LYS  13          1HD       LYS  13  -6.671  -4.677   7.152
  108    HD3  LYS  13          2HD       LYS  13  -5.212  -5.191   8.004
  109    HE2  LYS  13          1HE       LYS  13  -7.301  -3.252   9.008
  110    HE3  LYS  13          2HE       LYS  13  -7.030  -4.899   9.579
  111    HZ1  LYS  13          1HZ       LYS  13  -5.087  -2.662   9.797
  112    HZ2  LYS  13          2HZ       LYS  13  -4.844  -4.236  10.362
  113    HZ3  LYS  13          3HZ       LYS  13  -6.035  -3.263  11.059
  114    H    ASN  14           H        ASN  14  -4.789  -1.837   3.331
  115    HA   ASN  14           HA       ASN  14  -7.364  -0.477   3.672
  116    HB2  ASN  14          1HB       ASN  14  -5.907   0.367   5.469
  117    HB3  ASN  14          2HB       ASN  14  -4.668   0.772   4.291
  118   HD21  ASN  14          1HD2      ASN  14  -8.046   3.015   3.867
  119   HD22  ASN  14          2HD2      ASN  14  -8.135   1.291   3.881
  120    HA   PRO  15           HA       PRO  15  -5.961  -0.306  -0.702
  121    HB2  PRO  15          2HB       PRO  15  -8.478  -0.271  -1.755
  122    HB3  PRO  15          1HB       PRO  15  -7.635  -1.761  -1.310
  123    HG2  PRO  15          2HG       PRO  15  -9.710  -0.229   0.217
  124    HG3  PRO  15          1HG       PRO  15  -9.555  -1.981  -0.008
  125    HD2  PRO  15          2HD       PRO  15  -8.762  -0.738   2.264
  126    HD3  PRO  15          1HD       PRO  15  -7.939  -2.177   1.634
  127    H    ASN  16           H        ASN  16  -5.149   1.808  -0.365
  128    HA   ASN  16           HA       ASN  16  -7.059   3.972  -0.987
  129    HB2  ASN  16          1HB       ASN  16  -4.931   3.859   1.115
  130    HB3  ASN  16          2HB       ASN  16  -5.239   5.399   0.328
  131   HD21  ASN  16          1HD2      ASN  16  -8.621   4.001   2.076
  132   HD22  ASN  16          2HD2      ASN  16  -7.836   3.119   0.823
  133    H    ASP  17           H        ASP  17  -6.380   5.563  -2.372
  134    HA   ASP  17           HA       ASP  17  -4.726   4.836  -4.480
  135    HB2  ASP  17          1HB       ASP  17  -5.752   7.534  -3.584
  136    HB3  ASP  17          2HB       ASP  17  -4.813   7.325  -5.058
  137    H    GLU  18           H        GLU  18  -4.019   6.961  -1.721
  138    HA   GLU  18           HA       GLU  18  -1.449   7.714  -2.594
  139    HB2  GLU  18          1HB       GLU  18  -2.638   8.962  -0.858
  140    HB3  GLU  18          2HB       GLU  18  -2.515   7.587   0.236
  141    HG2  GLU  18          1HG       GLU  18  -0.177   7.825   0.444
  142    HG3  GLU  18          2HG       GLU  18  -0.089   8.923  -0.933
  143    H    ILE  19           H        ILE  19  -2.545   5.008  -0.571
  144    HA   ILE  19           HA       ILE  19   0.018   4.065   0.147
  145    HB   ILE  19           HB       ILE  19  -2.402   2.300  -0.314
  146   HG12  ILE  19          1HG1      ILE  19  -3.044   4.174   1.139
  147   HG13  ILE  19          2HG1      ILE  19  -2.981   2.669   2.046
  148   HG21  ILE  19          1HG2      ILE  19  -1.371   0.887   1.418
  149   HG22  ILE  19          2HG2      ILE  19  -0.008   2.004   1.514
  150   HG23  ILE  19          3HG2      ILE  19  -0.303   1.099   0.027
  151   HD11  ILE  19          1HD1      ILE  19  -2.050   4.492   3.333
  152   HD12  ILE  19          2HD1      ILE  19  -0.890   4.839   2.054
  153   HD13  ILE  19          3HD1      ILE  19  -0.794   3.319   2.945
  154    H    LYS  20           H        LYS  20  -2.117   3.358  -2.584
  155    HA   LYS  20           HA       LYS  20  -0.523   1.512  -3.946
  156    HB2  LYS  20          1HB       LYS  20  -2.775   1.912  -4.671
  157    HB3  LYS  20          2HB       LYS  20  -2.451   3.615  -4.948
  158    HG2  LYS  20          1HG       LYS  20  -2.627   2.418  -7.047
  159    HG3  LYS  20          2HG       LYS  20  -0.990   3.040  -6.826
  160    HD2  LYS  20          1HD       LYS  20  -0.236   0.814  -6.114
  161    HD3  LYS  20          2HD       LYS  20  -1.876   0.190  -6.311
  162    HE2  LYS  20          1HE       LYS  20  -0.485  -0.381  -8.237
  163    HE3  LYS  20          2HE       LYS  20  -1.788   0.713  -8.707
  164    HZ1  LYS  20          1HZ       LYS  20   1.071   1.404  -8.291
  165    HZ2  LYS  20          2HZ       LYS  20  -0.145   2.551  -8.511
  166    HZ3  LYS  20          3HZ       LYS  20   0.203   1.454  -9.743
  167    H    LYS  21           H        LYS  21  -0.483   5.055  -4.031
  168    HA   LYS  21           HA       LYS  21   1.521   5.291  -6.020
  169    HB2  LYS  21          1HB       LYS  21  -0.132   7.087  -5.152
  170    HB3  LYS  21          2HB       LYS  21   1.027   7.342  -3.856
  171    HG2  LYS  21          1HG       LYS  21   1.459   8.987  -5.508
  172    HG3  LYS  21          2HG       LYS  21   2.761   7.801  -5.622
  173    HD2  LYS  21          1HD       LYS  21   1.723   6.776  -7.559
  174    HD3  LYS  21          2HD       LYS  21   0.307   7.815  -7.394
  175    HE2  LYS  21          1HE       LYS  21   1.634   8.718  -9.154
  176    HE3  LYS  21          2HE       LYS  21   1.825   9.787  -7.765
  177    HZ1  LYS  21          1HZ       LYS  21   3.939   9.407  -8.788
  178    HZ2  LYS  21          2HZ       LYS  21   3.750   7.733  -8.700
  179    HZ3  LYS  21          3HZ       LYS  21   3.935   8.633  -7.284
  180    H    LYS  22           H        LYS  22   1.607   4.917  -2.530
  181    HA   LYS  22           HA       LYS  22   4.392   5.508  -2.242
  182    HB2  LYS  22          1HB       LYS  22   2.439   4.101  -0.407
  183    HB3  LYS  22          2HB       LYS  22   4.111   4.433   0.024
  184    HG2  LYS  22          1HG       LYS  22   3.646   6.864  -0.352
  185    HG3  LYS  22          2HG       LYS  22   1.942   6.445  -0.556
  186    HD2  LYS  22          1HD       LYS  22   1.876   5.532   1.703
  187    HD3  LYS  22          2HD       LYS  22   3.598   5.859   1.907
  188    HE2  LYS  22          1HE       LYS  22   3.113   8.282   1.571
  189    HE3  LYS  22          2HE       LYS  22   1.396   7.893   1.541
  190    HZ1  LYS  22          1HZ       LYS  22   2.073   8.640   3.717
  191    HZ2  LYS  22          2HZ       LYS  22   3.247   7.424   3.812
  192    HZ3  LYS  22          3HZ       LYS  22   1.606   7.014   3.791
  193    H    LEU  23           H        LEU  23   2.515   2.541  -2.694
  194    HA   LEU  23           HA       LEU  23   4.706   0.750  -2.479
  195    HB2  LEU  23          1HB       LEU  23   2.104   0.305  -2.622
  196    HB3  LEU  23          2HB       LEU  23   2.403   0.233  -4.347
  197    HG   LEU  23           HG       LEU  23   3.741  -1.540  -2.287
  198   HD11  LEU  23          1HD1      LEU  23   1.476  -2.143  -4.181
  199   HD12  LEU  23          2HD1      LEU  23   1.374  -2.025  -2.425
  200   HD13  LEU  23          3HD1      LEU  23   2.312  -3.320  -3.166
  201   HD21  LEU  23          1HD2      LEU  23   3.772  -1.664  -5.306
  202   HD22  LEU  23          2HD2      LEU  23   4.450  -2.875  -4.219
  203   HD23  LEU  23          3HD2      LEU  23   5.129  -1.252  -4.259
  204    H    GLU  24           H        GLU  24   3.320   2.667  -5.069
  205    HA   GLU  24           HA       GLU  24   4.897   1.744  -7.200
  206    HB2  GLU  24          1HB       GLU  24   2.864   3.175  -7.427
  207    HB3  GLU  24          2HB       GLU  24   3.793   4.533  -6.809
  208    HG2  GLU  24          1HG       GLU  24   5.351   4.262  -8.736
  209    HG3  GLU  24          2HG       GLU  24   4.263   3.031  -9.379
  210    H    LYS  25           H        LYS  25   5.590   3.966  -4.582
  211    HA   LYS  25           HA       LYS  25   7.940   5.130  -5.623
  212    HB2  LYS  25          1HB       LYS  25   7.129   4.519  -2.766
  213    HB3  LYS  25          2HB       LYS  25   8.588   5.405  -3.184
  214    HG2  LYS  25          1HG       LYS  25   5.784   6.250  -3.905
  215    HG3  LYS  25          2HG       LYS  25   6.726   6.881  -2.550
  216    HD2  LYS  25          1HD       LYS  25   8.421   7.715  -4.112
  217    HD3  LYS  25          2HD       LYS  25   7.503   7.060  -5.468
  218    HE2  LYS  25          1HE       LYS  25   5.644   8.560  -4.948
  219    HE3  LYS  25          2HE       LYS  25   6.536   9.197  -3.564
  220    HZ1  LYS  25          1HZ       LYS  25   8.198  10.076  -5.033
  221    HZ2  LYS  25          2HZ       LYS  25   6.684  10.608  -5.565
  222    HZ3  LYS  25          3HZ       LYS  25   7.469   9.355  -6.379
  223    H    CYS  26           H        CYS  26   7.332   2.125  -3.902
  224    HA   CYS  26           HA       CYS  26  10.062   1.289  -3.819
  225    HB2  CYS  26          2HB       CYS  26   8.497   0.373  -2.212
  226    HB3  CYS  26          1HB       CYS  26   7.466  -0.247  -3.502
  227    H    GLN  27           H        GLN  27   7.366   0.830  -6.025
  228    HA   GLN  27           HA       GLN  27   9.186  -0.454  -7.950
  229    HB2  GLN  27          1HB       GLN  27   6.337  -1.268  -7.319
  230    HB3  GLN  27          2HB       GLN  27   7.269  -1.885  -8.678
  231    HG2  GLN  27          1HG       GLN  27   8.842  -2.939  -7.208
  232    HG3  GLN  27          2HG       GLN  27   8.108  -2.175  -5.799
  233   HE21  GLN  27          1HE2      GLN  27   6.550  -5.266  -5.352
  234   HE22  GLN  27          2HE2      GLN  27   7.798  -4.184  -4.836
  235    H    ALA  28           H        ALA  28   9.431   1.592  -8.901
  236    HA   ALA  28           HA       ALA  28   7.046   2.791 -10.127
  237    HB1  ALA  28          1HB       ALA  28   8.403   4.802 -10.412
  238    HB2  ALA  28          2HB       ALA  28   9.802   3.964  -9.741
  239    HB3  ALA  28          3HB       ALA  28   8.396   4.279  -8.726
  Start of MODEL   18
    1    H1   ALA   1          1H        ALA   1  12.388   4.662   4.390
    2    H2   ALA   1          2H        ALA   1  10.740   4.307   4.326
    3    H3   ALA   1          3H        ALA   1  11.280   5.869   3.972
    4    HA   ALA   1           HA       ALA   1  10.708   4.720   1.952
    5    HB1  ALA   1          1HB       ALA   1  12.549   6.335   1.875
    6    HB2  ALA   1          2HB       ALA   1  12.821   5.007   0.747
    7    HB3  ALA   1          3HB       ALA   1  13.695   5.057   2.279
    8    H    GLU   2           H        GLU   2  11.098   2.973   0.496
    9    HA   GLU   2           HA       GLU   2  11.290   0.779  -0.049
   10    HB2  GLU   2          1HB       GLU   2  13.735   1.415   0.357
   11    HB3  GLU   2          2HB       GLU   2  13.577   0.642   1.927
   12    HG2  GLU   2          1HG       GLU   2  12.967  -1.469   0.776
   13    HG3  GLU   2          2HG       GLU   2  13.257  -0.670  -0.768
   14    H    ASP   3           H        ASP   3   9.592   1.597   2.143
   15    HA   ASP   3           HA       ASP   3   9.669  -0.528   4.124
   16    HB2  ASP   3          1HB       ASP   3   7.605   1.652   3.675
   17    HB3  ASP   3          2HB       ASP   3   7.690   0.590   5.075
   18    H    CYS   4           H        CYS   4   9.355  -1.363   1.413
   19    HA   CYS   4           HA       CYS   4   6.828  -1.560   0.376
   20    HB2  CYS   4          2HB       CYS   4   8.980  -3.673   0.161
   21    HB3  CYS   4          1HB       CYS   4   7.666  -3.389  -0.978
   22    H    GLU   5           H        GLU   5   8.351  -3.652   2.762
   23    HA   GLU   5           HA       GLU   5   6.519  -5.728   2.928
   24    HB2  GLU   5          1HB       GLU   5   8.614  -5.725   4.176
   25    HB3  GLU   5          2HB       GLU   5   8.085  -4.345   5.127
   26    HG2  GLU   5          1HG       GLU   5   7.813  -6.183   6.543
   27    HG3  GLU   5          2HG       GLU   5   6.190  -5.832   5.955
   28    H    ARG   6           H        ARG   6   6.572  -2.745   4.838
   29    HA   ARG   6           HA       ARG   6   4.167  -3.316   6.234
   30    HB2  ARG   6          1HB       ARG   6   5.483  -0.603   5.911
   31    HB3  ARG   6          2HB       ARG   6   4.375  -1.093   7.183
   32    HG2  ARG   6          1HG       ARG   6   6.367  -1.252   8.299
   33    HG3  ARG   6          2HG       ARG   6   6.237  -2.896   7.675
   34    HD2  ARG   6          1HD       ARG   6   7.594  -2.060   5.673
   35    HD3  ARG   6          2HD       ARG   6   7.934  -0.630   6.646
   36    HE   ARG   6           HE       ARG   6   8.593  -3.310   7.677
   37   HH11  ARG   6          1HH1      ARG   6   9.634  -0.083   6.719
   38   HH12  ARG   6          2HH1      ARG   6  11.270  -0.344   7.229
   39   HH21  ARG   6          1HH2      ARG   6  10.755  -3.634   8.297
   40   HH22  ARG   6          2HH2      ARG   6  11.919  -2.364   8.074
   41    H    ILE   7           H        ILE   7   4.987  -1.192   3.534
   42    HA   ILE   7           HA       ILE   7   2.484   0.043   3.240
   43    HB   ILE   7           HB       ILE   7   4.523  -0.496   1.065
   44   HG12  ILE   7          1HG1      ILE   7   4.241   1.931   2.868
   45   HG13  ILE   7          2HG1      ILE   7   5.471   0.683   3.052
   46   HG21  ILE   7          1HG2      ILE   7   2.350   0.175   0.182
   47   HG22  ILE   7          2HG2      ILE   7   3.533   1.464  -0.037
   48   HG23  ILE   7          3HG2      ILE   7   2.331   1.579   1.250
   49   HD11  ILE   7          1HD1      ILE   7   5.149   2.513   0.681
   50   HD12  ILE   7          2HD1      ILE   7   6.380   1.261   0.859
   51   HD13  ILE   7          3HD1      ILE   7   6.368   2.648   1.948
   52    H    ARG   8           H        ARG   8   3.832  -2.870   1.695
   53    HA   ARG   8           HA       ARG   8   1.637  -3.380  -0.008
   54    HB2  ARG   8          1HB       ARG   8   3.846  -4.442  -0.305
   55    HB3  ARG   8          2HB       ARG   8   3.614  -5.350   1.176
   56    HG2  ARG   8          1HG       ARG   8   3.192  -6.693  -0.846
   57    HG3  ARG   8          2HG       ARG   8   1.781  -6.581   0.208
   58    HD2  ARG   8          1HD       ARG   8   0.854  -4.820  -1.246
   59    HD3  ARG   8          2HD       ARG   8   2.261  -4.963  -2.303
   60    HE   ARG   8           HE       ARG   8   1.517  -7.317  -2.685
   61   HH11  ARG   8          1HH1      ARG   8  -0.796  -4.888  -1.687
   62   HH12  ARG   8          2HH1      ARG   8  -2.146  -5.669  -2.445
   63   HH21  ARG   8          1HH2      ARG   8  -0.257  -8.360  -3.671
   64   HH22  ARG   8          2HH2      ARG   8  -1.843  -7.659  -3.562
   65    H    LYS   9           H        LYS   9   2.548  -4.719   3.142
   66    HA   LYS   9           HA       LYS   9   0.345  -6.380   3.535
   67    HB2  LYS   9          1HB       LYS   9   2.331  -6.479   4.948
   68    HB3  LYS   9          2HB       LYS   9   1.983  -4.881   5.594
   69    HG2  LYS   9          1HG       LYS   9  -0.023  -5.710   6.672
   70    HG3  LYS   9          2HG       LYS   9   0.217  -7.302   5.949
   71    HD2  LYS   9          1HD       LYS   9   0.956  -7.254   8.291
   72    HD3  LYS   9          2HD       LYS   9   2.298  -7.575   7.193
   73    HE2  LYS   9          1HE       LYS   9   2.965  -5.211   7.340
   74    HE3  LYS   9          2HE       LYS   9   1.637  -4.911   8.461
   75    HZ1  LYS   9          1HZ       LYS   9   3.888  -6.789   8.938
   76    HZ2  LYS   9          2HZ       LYS   9   2.642  -6.440  10.021
   77    HZ3  LYS   9          3HZ       LYS   9   3.753  -5.239   9.598
   78    H    GLU  10           H        GLU  10   0.668  -2.919   4.052
   79    HA   GLU  10           HA       GLU  10  -1.895  -2.637   5.304
   80    HB2  GLU  10          1HB       GLU  10  -0.015  -1.119   5.780
   81    HB3  GLU  10          2HB       GLU  10  -0.002  -0.603   4.099
   82    HG2  GLU  10          1HG       GLU  10  -2.180   0.381   4.343
   83    HG3  GLU  10          2HG       GLU  10  -2.303  -0.225   5.990
   84    H    LEU  11           H        LEU  11  -0.578  -2.561   2.090
   85    HA   LEU  11           HA       LEU  11  -2.625  -1.068   0.812
   86    HB2  LEU  11          1HB       LEU  11  -0.387  -1.288  -0.131
   87    HB3  LEU  11          2HB       LEU  11  -0.605  -3.018  -0.303
   88    HG   LEU  11           HG       LEU  11  -2.363  -2.633  -1.995
   89   HD11  LEU  11          1HD1      LEU  11  -1.670   0.285  -1.660
   90   HD12  LEU  11          2HD1      LEU  11  -3.192  -0.484  -1.208
   91   HD13  LEU  11          3HD1      LEU  11  -2.722  -0.391  -2.904
   92   HD21  LEU  11          1HD2      LEU  11   0.243  -1.210  -2.565
   93   HD22  LEU  11          2HD2      LEU  11  -0.893  -1.805  -3.777
   94   HD23  LEU  11          3HD2      LEU  11  -0.058  -2.943  -2.722
   95    H    GLU  12           H        GLU  12  -2.045  -4.544   1.198
   96    HA   GLU  12           HA       GLU  12  -4.066  -5.484  -0.486
   97    HB2  GLU  12          1HB       GLU  12  -4.025  -7.549   0.953
   98    HB3  GLU  12          2HB       GLU  12  -2.456  -7.039   0.346
   99    HG2  GLU  12          1HG       GLU  12  -1.840  -6.139   2.468
  100    HG3  GLU  12          2HG       GLU  12  -3.472  -6.364   3.095
  101    H    LYS  13           H        LYS  13  -4.220  -4.294   2.808
  102    HA   LYS  13           HA       LYS  13  -7.005  -5.001   3.140
  103    HB2  LYS  13          1HB       LYS  13  -5.530  -4.948   5.095
  104    HB3  LYS  13          2HB       LYS  13  -5.187  -3.245   4.809
  105    HG2  LYS  13          1HG       LYS  13  -7.594  -2.747   5.172
  106    HG3  LYS  13          2HG       LYS  13  -7.846  -4.445   5.580
  107    HD2  LYS  13          1HD       LYS  13  -6.010  -2.532   7.034
  108    HD3  LYS  13          2HD       LYS  13  -7.607  -3.041   7.584
  109    HE2  LYS  13          1HE       LYS  13  -6.803  -5.374   7.676
  110    HE3  LYS  13          2HE       LYS  13  -5.202  -4.827   7.178
  111    HZ1  LYS  13          1HZ       LYS  13  -6.612  -4.040   9.671
  112    HZ2  LYS  13          2HZ       LYS  13  -5.094  -3.477   9.192
  113    HZ3  LYS  13          3HZ       LYS  13  -5.310  -5.112   9.562
  114    H    ASN  14           H        ASN  14  -5.146  -1.994   2.831
  115    HA   ASN  14           HA       ASN  14  -7.622  -0.570   2.097
  116    HB2  ASN  14          1HB       ASN  14  -6.703   0.200   4.228
  117    HB3  ASN  14          2HB       ASN  14  -5.131   0.465   3.485
  118   HD21  ASN  14          1HD2      ASN  14  -5.918   3.597   2.195
  119   HD22  ASN  14          2HD2      ASN  14  -4.800   2.278   2.241
  120    HA   PRO  15           HA       PRO  15  -4.998  -0.507  -1.650
  121    HB2  PRO  15          2HB       PRO  15  -6.939  -0.886  -3.450
  122    HB3  PRO  15          1HB       PRO  15  -6.388  -2.212  -2.417
  123    HG2  PRO  15          2HG       PRO  15  -8.818  -0.474  -2.133
  124    HG3  PRO  15          1HG       PRO  15  -8.673  -2.231  -1.938
  125    HD2  PRO  15          2HD       PRO  15  -8.666  -0.435   0.153
  126    HD3  PRO  15          1HD       PRO  15  -7.927  -2.047   0.220
  127    H    ASN  16           H        ASN  16  -5.560   1.894  -0.350
  128    HA   ASN  16           HA       ASN  16  -6.994   3.665  -2.138
  129    HB2  ASN  16          1HB       ASN  16  -7.191   4.065   0.246
  130    HB3  ASN  16          2HB       ASN  16  -5.443   4.186   0.412
  131   HD21  ASN  16          1HD2      ASN  16  -7.635   7.332  -0.933
  132   HD22  ASN  16          2HD2      ASN  16  -8.325   5.750  -0.788
  133    H    ASP  17           H        ASP  17  -6.071   5.440  -3.222
  134    HA   ASP  17           HA       ASP  17  -3.903   4.850  -4.807
  135    HB2  ASP  17          1HB       ASP  17  -3.900   7.301  -5.418
  136    HB3  ASP  17          2HB       ASP  17  -5.451   6.486  -5.568
  137    H    GLU  18           H        GLU  18  -3.885   6.815  -1.831
  138    HA   GLU  18           HA       GLU  18  -1.275   7.762  -1.940
  139    HB2  GLU  18          1HB       GLU  18  -2.974   6.943   0.420
  140    HB3  GLU  18          2HB       GLU  18  -1.367   7.624   0.625
  141    HG2  GLU  18          1HG       GLU  18  -3.681   8.981  -0.750
  142    HG3  GLU  18          2HG       GLU  18  -3.132   9.296   0.895
  143    H    ILE  19           H        ILE  19  -2.448   4.660  -0.704
  144    HA   ILE  19           HA       ILE  19   0.171   3.838   0.177
  145    HB   ILE  19           HB       ILE  19  -2.403   2.234   0.000
  146   HG12  ILE  19          1HG1      ILE  19  -2.371   2.522   2.523
  147   HG13  ILE  19          2HG1      ILE  19  -1.098   3.715   2.303
  148   HG21  ILE  19          1HG2      ILE  19  -1.290   0.652   1.519
  149   HG22  ILE  19          2HG2      ILE  19   0.198   1.591   1.399
  150   HG23  ILE  19          3HG2      ILE  19  -0.450   0.779  -0.027
  151   HD11  ILE  19          1HD1      ILE  19  -3.908   3.893   1.242
  152   HD12  ILE  19          2HD1      ILE  19  -2.635   5.084   0.976
  153   HD13  ILE  19          3HD1      ILE  19  -3.235   4.785   2.605
  154    H    LYS  20           H        LYS  20  -1.982   3.181  -2.516
  155    HA   LYS  20           HA       LYS  20  -0.584   1.059  -3.706
  156    HB2  LYS  20          1HB       LYS  20  -2.862   1.725  -4.364
  157    HB3  LYS  20          2HB       LYS  20  -2.239   3.235  -5.019
  158    HG2  LYS  20          1HG       LYS  20  -0.908   1.932  -6.660
  159    HG3  LYS  20          2HG       LYS  20  -1.649   0.456  -6.035
  160    HD2  LYS  20          1HD       LYS  20  -3.865   1.292  -6.673
  161    HD3  LYS  20          2HD       LYS  20  -3.135   2.778  -7.283
  162    HE2  LYS  20          1HE       LYS  20  -1.856   1.441  -8.923
  163    HE3  LYS  20          2HE       LYS  20  -2.658  -0.015  -8.333
  164    HZ1  LYS  20          1HZ       LYS  20  -3.991   2.316  -9.606
  165    HZ2  LYS  20          2HZ       LYS  20  -4.780   0.944  -9.013
  166    HZ3  LYS  20          3HZ       LYS  20  -3.721   0.808 -10.321
  167    H    LYS  21           H        LYS  21  -0.357   4.559  -4.179
  168    HA   LYS  21           HA       LYS  21   1.779   4.468  -6.052
  169    HB2  LYS  21          1HB       LYS  21   0.247   6.402  -5.829
  170    HB3  LYS  21          2HB       LYS  21   0.903   6.729  -4.231
  171    HG2  LYS  21          1HG       LYS  21   3.109   7.157  -5.230
  172    HG3  LYS  21          2HG       LYS  21   2.431   6.853  -6.832
  173    HD2  LYS  21          1HD       LYS  21   1.578   9.042  -4.927
  174    HD3  LYS  21          2HD       LYS  21   2.580   9.254  -6.363
  175    HE2  LYS  21          1HE       LYS  21  -0.273   8.256  -6.350
  176    HE3  LYS  21          2HE       LYS  21   0.234   9.894  -6.759
  177    HZ1  LYS  21          1HZ       LYS  21   1.484   9.015  -8.617
  178    HZ2  LYS  21          2HZ       LYS  21  -0.138   8.550  -8.729
  179    HZ3  LYS  21          3HZ       LYS  21   1.027   7.436  -8.222
  180    H    LYS  22           H        LYS  22   1.559   4.832  -2.549
  181    HA   LYS  22           HA       LYS  22   4.198   5.411  -1.907
  182    HB2  LYS  22          1HB       LYS  22   2.003   5.059  -0.439
  183    HB3  LYS  22          2HB       LYS  22   2.667   3.447  -0.228
  184    HG2  LYS  22          1HG       LYS  22   3.424   4.641   1.624
  185    HG3  LYS  22          2HG       LYS  22   4.812   4.622   0.533
  186    HD2  LYS  22          1HD       LYS  22   4.309   6.883  -0.201
  187    HD3  LYS  22          2HD       LYS  22   2.835   6.902   0.769
  188    HE2  LYS  22          1HE       LYS  22   4.265   6.586   2.801
  189    HE3  LYS  22          2HE       LYS  22   5.680   6.789   1.770
  190    HZ1  LYS  22          1HZ       LYS  22   5.116   8.858   2.827
  191    HZ2  LYS  22          2HZ       LYS  22   3.539   8.795   2.228
  192    HZ3  LYS  22          3HZ       LYS  22   4.838   8.999   1.166
  193    H    LEU  23           H        LEU  23   2.630   2.303  -2.471
  194    HA   LEU  23           HA       LEU  23   4.934   0.690  -2.031
  195    HB2  LEU  23          1HB       LEU  23   2.455   0.030  -1.943
  196    HB3  LEU  23          2HB       LEU  23   2.512  -0.036  -3.690
  197    HG   LEU  23           HG       LEU  23   2.703  -2.246  -2.467
  198   HD11  LEU  23          1HD1      LEU  23   4.968  -1.549  -4.328
  199   HD12  LEU  23          2HD1      LEU  23   3.337  -2.017  -4.810
  200   HD13  LEU  23          3HD1      LEU  23   4.370  -3.168  -3.964
  201   HD21  LEU  23          1HD2      LEU  23   4.173  -1.518  -0.663
  202   HD22  LEU  23          2HD2      LEU  23   5.470  -1.222  -1.822
  203   HD23  LEU  23          3HD2      LEU  23   4.878  -2.863  -1.557
  204    H    GLU  24           H        GLU  24   3.419   2.146  -4.857
  205    HA   GLU  24           HA       GLU  24   4.854   0.916  -6.902
  206    HB2  GLU  24          1HB       GLU  24   2.880   2.359  -7.247
  207    HB3  GLU  24          2HB       GLU  24   3.823   3.764  -6.774
  208    HG2  GLU  24          1HG       GLU  24   3.663   3.761  -9.141
  209    HG3  GLU  24          2HG       GLU  24   5.321   3.334  -8.724
  210    H    LYS  25           H        LYS  25   5.648   3.800  -4.987
  211    HA   LYS  25           HA       LYS  25   8.259   3.969  -6.339
  212    HB2  LYS  25          1HB       LYS  25   8.396   6.240  -5.369
  213    HB3  LYS  25          2HB       LYS  25   6.988   6.024  -6.398
  214    HG2  LYS  25          1HG       LYS  25   5.592   5.718  -4.389
  215    HG3  LYS  25          2HG       LYS  25   7.012   6.008  -3.383
  216    HD2  LYS  25          1HD       LYS  25   7.235   8.254  -4.298
  217    HD3  LYS  25          2HD       LYS  25   5.877   7.965  -5.389
  218    HE2  LYS  25          1HE       LYS  25   4.378   7.717  -3.481
  219    HE3  LYS  25          2HE       LYS  25   5.730   7.948  -2.371
  220    HZ1  LYS  25          1HZ       LYS  25   4.753   9.960  -4.325
  221    HZ2  LYS  25          2HZ       LYS  25   6.014  10.177  -3.219
  222    HZ3  LYS  25          3HZ       LYS  25   4.430   9.968  -2.664
  223    H    CYS  26           H        CYS  26   7.383   2.115  -4.089
  224    HA   CYS  26           HA       CYS  26   8.818   2.847  -1.757
  225    HB2  CYS  26          2HB       CYS  26   7.068   1.139  -1.705
  226    HB3  CYS  26          1HB       CYS  26   8.011   0.110  -2.777
  227    H    GLN  27           H        GLN  27   9.696   1.196  -4.720
  228    HA   GLN  27           HA       GLN  27  12.104   0.020  -3.971
  229    HB2  GLN  27          1HB       GLN  27  11.280   1.183  -6.643
  230    HB3  GLN  27          2HB       GLN  27  12.695   0.168  -6.402
  231    HG2  GLN  27          1HG       GLN  27   9.861  -0.689  -5.828
  232    HG3  GLN  27          2HG       GLN  27  10.732  -1.035  -7.322
  233   HE21  GLN  27          1HE2      GLN  27  12.656  -3.629  -5.984
  234   HE22  GLN  27          2HE2      GLN  27  12.449  -2.508  -7.282
  235    H    ALA  28           H        ALA  28  11.382   3.356  -4.786
  236    HA   ALA  28           HA       ALA  28  14.129   4.099  -4.074
  237    HB1  ALA  28          1HB       ALA  28  14.274   5.658  -5.955
  238    HB2  ALA  28          2HB       ALA  28  12.697   5.121  -6.535
  239    HB3  ALA  28          3HB       ALA  28  14.061   4.003  -6.525
  Start of MODEL   19
    1    H1   ALA   1          1H        ALA   1  14.526  -0.759   7.697
    2    H2   ALA   1          2H        ALA   1  15.684  -0.719   6.462
    3    H3   ALA   1          3H        ALA   1  15.890  -1.760   7.774
    4    HA   ALA   1           HA       ALA   1  15.160  -2.978   5.847
    5    HB1  ALA   1          1HB       ALA   1  13.213  -4.089   6.845
    6    HB2  ALA   1          2HB       ALA   1  13.011  -2.738   7.962
    7    HB3  ALA   1          3HB       ALA   1  14.448  -3.756   8.061
    8    H    GLU   2           H        GLU   2  13.890  -3.103   4.038
    9    HA   GLU   2           HA       GLU   2  12.751  -0.720   3.073
   10    HB2  GLU   2          1HB       GLU   2  12.335  -3.534   2.023
   11    HB3  GLU   2          2HB       GLU   2  12.008  -2.044   1.146
   12    HG2  GLU   2          1HG       GLU   2  14.663  -3.190   1.954
   13    HG3  GLU   2          2HG       GLU   2  14.069  -2.832   0.334
   14    H    ASP   3           H        ASP   3  10.836   0.153   3.373
   15    HA   ASP   3           HA       ASP   3   8.930  -1.124   5.090
   16    HB2  ASP   3          1HB       ASP   3   7.673   0.985   4.926
   17    HB3  ASP   3          2HB       ASP   3   9.357   1.261   5.334
   18    H    CYS   4           H        CYS   4   9.457  -1.483   1.871
   19    HA   CYS   4           HA       CYS   4   7.077  -1.459   0.546
   20    HB2  CYS   4          2HB       CYS   4   9.202  -3.615   0.531
   21    HB3  CYS   4          1HB       CYS   4   7.861  -3.573  -0.609
   22    H    GLU   5           H        GLU   5   8.131  -3.865   2.915
   23    HA   GLU   5           HA       GLU   5   6.010  -5.666   2.767
   24    HB2  GLU   5          1HB       GLU   5   7.996  -6.149   4.080
   25    HB3  GLU   5          2HB       GLU   5   7.674  -4.789   5.146
   26    HG2  GLU   5          1HG       GLU   5   5.605  -5.920   5.905
   27    HG3  GLU   5          2HG       GLU   5   6.032  -7.307   4.904
   28    H    ARG   6           H        ARG   6   6.350  -2.673   4.589
   29    HA   ARG   6           HA       ARG   6   3.905  -2.972   6.037
   30    HB2  ARG   6          1HB       ARG   6   5.762  -0.603   5.678
   31    HB3  ARG   6          2HB       ARG   6   4.360  -0.588   6.734
   32    HG2  ARG   6          1HG       ARG   6   6.197  -1.038   8.131
   33    HG3  ARG   6          2HG       ARG   6   5.387  -2.590   7.915
   34    HD2  ARG   6          1HD       ARG   6   7.114  -2.769   5.893
   35    HD3  ARG   6          2HD       ARG   6   8.029  -1.655   6.905
   36    HE   ARG   6           HE       ARG   6   7.173  -4.368   7.688
   37   HH11  ARG   6          1HH1      ARG   6   9.303  -1.615   8.099
   38   HH12  ARG   6          2HH1      ARG   6  10.405  -2.474   9.130
   39   HH21  ARG   6          1HH2      ARG   6   8.629  -5.502   8.967
   40   HH22  ARG   6          2HH2      ARG   6  10.029  -4.700   9.614
   41    H    ILE   7           H        ILE   7   4.948  -1.008   3.268
   42    HA   ILE   7           HA       ILE   7   2.572   0.389   2.812
   43    HB   ILE   7           HB       ILE   7   4.494  -0.653   0.704
   44   HG12  ILE   7          1HG1      ILE   7   4.540   1.964   2.238
   45   HG13  ILE   7          2HG1      ILE   7   5.669   0.629   2.451
   46   HG21  ILE   7          1HG2      ILE   7   3.717   1.209  -0.662
   47   HG22  ILE   7          2HG2      ILE   7   2.602   1.702   0.617
   48   HG23  ILE   7          3HG2      ILE   7   2.369   0.162  -0.213
   49   HD11  ILE   7          1HD1      ILE   7   6.443   0.942   0.145
   50   HD12  ILE   7          2HD1      ILE   7   6.664   2.384   1.132
   51   HD13  ILE   7          3HD1      ILE   7   5.338   2.307  -0.027
   52    H    ARG   8           H        ARG   8   3.658  -2.661   1.263
   53    HA   ARG   8           HA       ARG   8   1.372  -3.470  -0.012
   54    HB2  ARG   8          1HB       ARG   8   3.464  -4.772  -0.034
   55    HB3  ARG   8          2HB       ARG   8   3.218  -5.204   1.654
   56    HG2  ARG   8          1HG       ARG   8   1.016  -6.256   0.887
   57    HG3  ARG   8          2HG       ARG   8   1.652  -6.098  -0.750
   58    HD2  ARG   8          1HD       ARG   8   2.938  -7.614   1.522
   59    HD3  ARG   8          2HD       ARG   8   2.075  -8.328   0.161
   60    HE   ARG   8           HE       ARG   8   4.773  -7.310   0.191
   61   HH11  ARG   8          1HH1      ARG   8   2.024  -8.091  -1.832
   62   HH12  ARG   8          2HH1      ARG   8   2.983  -8.343  -3.255
   63   HH21  ARG   8          1HH2      ARG   8   6.042  -7.680  -1.654
   64   HH22  ARG   8          2HH2      ARG   8   5.279  -8.126  -3.151
   65    H    LYS   9           H        LYS   9   2.215  -4.096   3.366
   66    HA   LYS   9           HA       LYS   9  -0.045  -5.538   4.097
   67    HB2  LYS   9          1HB       LYS   9   2.147  -5.238   5.359
   68    HB3  LYS   9          2HB       LYS   9   1.514  -3.699   5.919
   69    HG2  LYS   9          1HG       LYS   9  -0.358  -4.877   6.994
   70    HG3  LYS   9          2HG       LYS   9   0.326  -6.416   6.460
   71    HD2  LYS   9          1HD       LYS   9   2.441  -5.757   7.709
   72    HD3  LYS   9          2HD       LYS   9   1.506  -4.438   8.416
   73    HE2  LYS   9          1HE       LYS   9   1.520  -6.287   9.953
   74    HE3  LYS   9          2HE       LYS   9  -0.106  -6.124   9.284
   75    HZ1  LYS   9          1HZ       LYS   9   0.585  -8.426   9.333
   76    HZ2  LYS   9          2HZ       LYS   9   1.952  -8.077   8.403
   77    HZ3  LYS   9          3HZ       LYS   9   0.406  -7.916   7.734
   78    H    GLU  10           H        GLU  10   0.530  -2.077   4.081
   79    HA   GLU  10           HA       GLU  10  -1.913  -1.365   5.391
   80    HB2  GLU  10          1HB       GLU  10   0.022   0.255   3.712
   81    HB3  GLU  10          2HB       GLU  10  -1.315   0.943   4.620
   82    HG2  GLU  10          1HG       GLU  10   1.011  -0.569   5.800
   83    HG3  GLU  10          2HG       GLU  10   0.830   1.184   5.781
   84    H    LEU  11           H        LEU  11  -0.889  -1.939   2.121
   85    HA   LEU  11           HA       LEU  11  -3.145  -0.591   0.899
   86    HB2  LEU  11          1HB       LEU  11  -0.894  -0.667  -0.157
   87    HB3  LEU  11          2HB       LEU  11  -1.064  -2.403  -0.347
   88    HG   LEU  11           HG       LEU  11  -2.983  -2.048  -1.857
   89   HD11  LEU  11          1HD1      LEU  11  -3.832   0.037  -0.961
   90   HD12  LEU  11          2HD1      LEU  11  -3.491   0.208  -2.682
   91   HD13  LEU  11          3HD1      LEU  11  -2.379   0.887  -1.492
   92   HD21  LEU  11          1HD2      LEU  11  -1.727  -1.159  -3.754
   93   HD22  LEU  11          2HD2      LEU  11  -0.740  -2.254  -2.788
   94   HD23  LEU  11          3HD2      LEU  11  -0.512  -0.510  -2.655
   95    H    GLU  12           H        GLU  12  -2.224  -3.834   1.783
   96    HA   GLU  12           HA       GLU  12  -3.989  -5.306   0.227
   97    HB2  GLU  12          1HB       GLU  12  -2.015  -6.114   1.595
   98    HB3  GLU  12          2HB       GLU  12  -3.036  -5.969   3.020
   99    HG2  GLU  12          1HG       GLU  12  -3.059  -8.225   2.354
  100    HG3  GLU  12          2HG       GLU  12  -4.627  -7.536   1.940
  101    H    LYS  13           H        LYS  13  -4.323  -3.866   3.438
  102    HA   LYS  13           HA       LYS  13  -7.067  -4.739   3.716
  103    HB2  LYS  13          1HB       LYS  13  -5.391  -2.871   5.417
  104    HB3  LYS  13          2HB       LYS  13  -7.013  -3.420   5.826
  105    HG2  LYS  13          1HG       LYS  13  -4.573  -5.169   5.509
  106    HG3  LYS  13          2HG       LYS  13  -5.333  -4.696   7.031
  107    HD2  LYS  13          1HD       LYS  13  -7.349  -5.904   6.452
  108    HD3  LYS  13          2HD       LYS  13  -6.710  -6.279   4.851
  109    HE2  LYS  13          1HE       LYS  13  -6.501  -8.216   6.278
  110    HE3  LYS  13          2HE       LYS  13  -4.896  -7.582   5.916
  111    HZ1  LYS  13          1HZ       LYS  13  -6.408  -7.090   8.429
  112    HZ2  LYS  13          2HZ       LYS  13  -4.851  -6.537   8.082
  113    HZ3  LYS  13          3HZ       LYS  13  -5.139  -8.193   8.250
  114    H    ASN  14           H        ASN  14  -5.436  -1.569   3.486
  115    HA   ASN  14           HA       ASN  14  -8.010  -0.377   2.682
  116    HB2  ASN  14          1HB       ASN  14  -5.564   0.893   3.941
  117    HB3  ASN  14          2HB       ASN  14  -6.973   1.792   3.389
  118   HD21  ASN  14          1HD2      ASN  14  -8.964  -0.057   5.995
  119   HD22  ASN  14          2HD2      ASN  14  -8.941  -0.114   4.266
  120    HA   PRO  15           HA       PRO  15  -5.871   0.011  -1.299
  121    HB2  PRO  15          2HB       PRO  15  -8.082   0.630  -2.743
  122    HB3  PRO  15          1HB       PRO  15  -7.709  -1.024  -2.245
  123    HG2  PRO  15          2HG       PRO  15  -9.610   0.940  -1.011
  124    HG3  PRO  15          1HG       PRO  15  -9.838  -0.792  -1.330
  125    HD2  PRO  15          2HD       PRO  15  -9.181   0.186   1.128
  126    HD3  PRO  15          1HD       PRO  15  -8.685  -1.422   0.563
  127    H    ASN  16           H        ASN  16  -5.158   1.970   0.207
  128    HA   ASN  16           HA       ASN  16  -6.448   4.488  -0.330
  129    HB2  ASN  16          1HB       ASN  16  -5.393   4.114   1.840
  130    HB3  ASN  16          2HB       ASN  16  -3.836   3.835   1.066
  131   HD21  ASN  16          1HD2      ASN  16  -5.178   7.602   1.750
  132   HD22  ASN  16          2HD2      ASN  16  -6.175   6.214   2.022
  133    H    ASP  17           H        ASP  17  -5.900   6.003  -1.760
  134    HA   ASP  17           HA       ASP  17  -4.631   5.504  -4.130
  135    HB2  ASP  17          1HB       ASP  17  -4.873   8.156  -2.683
  136    HB3  ASP  17          2HB       ASP  17  -4.431   7.987  -4.378
  137    H    GLU  18           H        GLU  18  -3.219   7.380  -1.456
  138    HA   GLU  18           HA       GLU  18  -0.724   7.725  -2.670
  139    HB2  GLU  18          1HB       GLU  18  -1.537   7.832   0.235
  140    HB3  GLU  18          2HB       GLU  18   0.067   8.271  -0.337
  141    HG2  GLU  18          1HG       GLU  18  -2.540   9.596  -1.070
  142    HG3  GLU  18          2HG       GLU  18  -1.258  10.258  -0.055
  143    H    ILE  19           H        ILE  19  -1.765   5.353  -0.218
  144    HA   ILE  19           HA       ILE  19   0.680   4.119   0.209
  145    HB   ILE  19           HB       ILE  19  -2.059   2.829   0.226
  146   HG12  ILE  19          1HG1      ILE  19  -1.867   4.711   1.787
  147   HG13  ILE  19          2HG1      ILE  19  -1.941   3.191   2.670
  148   HG21  ILE  19          1HG2      ILE  19  -1.043   1.110   1.672
  149   HG22  ILE  19          2HG2      ILE  19   0.542   1.834   1.402
  150   HG23  ILE  19          3HG2      ILE  19  -0.342   1.119   0.054
  151   HD11  ILE  19          1HD1      ILE  19  -0.315   4.699   3.648
  152   HD12  ILE  19          2HD1      ILE  19   0.551   4.791   2.114
  153   HD13  ILE  19          3HD1      ILE  19   0.480   3.266   2.998
  154    H    LYS  20           H        LYS  20  -1.781   3.313  -2.248
  155    HA   LYS  20           HA       LYS  20  -0.361   1.182  -3.428
  156    HB2  LYS  20          1HB       LYS  20  -2.799   1.816  -3.837
  157    HB3  LYS  20          2HB       LYS  20  -2.200   3.067  -4.919
  158    HG2  LYS  20          1HG       LYS  20  -1.038   1.276  -6.229
  159    HG3  LYS  20          2HG       LYS  20  -1.848   0.085  -5.211
  160    HD2  LYS  20          1HD       LYS  20  -3.208   0.230  -7.119
  161    HD3  LYS  20          2HD       LYS  20  -4.034   1.233  -5.923
  162    HE2  LYS  20          1HE       LYS  20  -4.048   2.437  -7.978
  163    HE3  LYS  20          2HE       LYS  20  -2.865   3.222  -6.934
  164    HZ1  LYS  20          1HZ       LYS  20  -1.108   2.018  -8.109
  165    HZ2  LYS  20          2HZ       LYS  20  -2.017   2.969  -9.170
  166    HZ3  LYS  20          3HZ       LYS  20  -2.263   1.301  -9.116
  167    H    LYS  21           H        LYS  21  -0.450   4.644  -4.103
  168    HA   LYS  21           HA       LYS  21   1.238   4.544  -6.384
  169    HB2  LYS  21          1HB       LYS  21  -0.383   6.337  -6.044
  170    HB3  LYS  21          2HB       LYS  21   0.465   6.866  -4.600
  171    HG2  LYS  21          1HG       LYS  21   2.243   7.756  -5.814
  172    HG3  LYS  21          2HG       LYS  21   1.859   6.814  -7.255
  173    HD2  LYS  21          1HD       LYS  21   1.304   9.243  -7.448
  174    HD3  LYS  21          2HD       LYS  21  -0.069   8.168  -7.713
  175    HE2  LYS  21          1HE       LYS  21  -0.692  10.093  -6.341
  176    HE3  LYS  21          2HE       LYS  21  -0.854   8.591  -5.437
  177    HZ1  LYS  21          1HZ       LYS  21   0.171  10.334  -4.116
  178    HZ2  LYS  21          2HZ       LYS  21   1.427  10.486  -5.237
  179    HZ3  LYS  21          3HZ       LYS  21   1.249   9.056  -4.357
  180    H    LYS  22           H        LYS  22   1.901   4.511  -3.000
  181    HA   LYS  22           HA       LYS  22   4.664   5.327  -3.294
  182    HB2  LYS  22          1HB       LYS  22   3.316   3.906  -0.974
  183    HB3  LYS  22          2HB       LYS  22   4.925   4.615  -0.949
  184    HG2  LYS  22          1HG       LYS  22   2.320   6.102  -1.250
  185    HG3  LYS  22          2HG       LYS  22   3.340   6.053   0.185
  186    HD2  LYS  22          1HD       LYS  22   5.122   7.214  -1.015
  187    HD3  LYS  22          2HD       LYS  22   4.159   7.199  -2.495
  188    HE2  LYS  22          1HE       LYS  22   2.450   8.578  -1.391
  189    HE3  LYS  22          2HE       LYS  22   3.414   8.595   0.083
  190    HZ1  LYS  22          1HZ       LYS  22   3.668  10.614  -1.260
  191    HZ2  LYS  22          2HZ       LYS  22   4.306   9.695  -2.526
  192    HZ3  LYS  22          3HZ       LYS  22   5.130   9.794  -1.058
  193    H    LEU  23           H        LEU  23   2.890   2.296  -2.746
  194    HA   LEU  23           HA       LEU  23   5.109   0.561  -2.857
  195    HB2  LEU  23          1HB       LEU  23   2.715   0.057  -2.083
  196    HB3  LEU  23          2HB       LEU  23   2.320  -0.141  -3.777
  197    HG   LEU  23           HG       LEU  23   3.994  -1.978  -3.923
  198   HD11  LEU  23          1HD1      LEU  23   4.194  -1.658  -0.932
  199   HD12  LEU  23          2HD1      LEU  23   5.462  -1.280  -2.098
  200   HD13  LEU  23          3HD1      LEU  23   4.921  -2.945  -1.895
  201   HD21  LEU  23          1HD2      LEU  23   2.669  -3.636  -2.716
  202   HD22  LEU  23          2HD2      LEU  23   1.632  -2.474  -3.544
  203   HD23  LEU  23          3HD2      LEU  23   1.880  -2.350  -1.802
  204    H    GLU  24           H        GLU  24   3.261   2.184  -5.265
  205    HA   GLU  24           HA       GLU  24   3.695   0.704  -7.561
  206    HB2  GLU  24          1HB       GLU  24   2.374   2.945  -7.092
  207    HB3  GLU  24          2HB       GLU  24   3.861   3.707  -7.635
  208    HG2  GLU  24          1HG       GLU  24   2.446   3.584  -9.513
  209    HG3  GLU  24          2HG       GLU  24   3.667   2.329  -9.739
  210    H    LYS  25           H        LYS  25   5.850   2.915  -5.869
  211    HA   LYS  25           HA       LYS  25   7.851   2.887  -7.950
  212    HB2  LYS  25          1HB       LYS  25   7.805   4.005  -5.145
  213    HB3  LYS  25          2HB       LYS  25   9.269   4.010  -6.118
  214    HG2  LYS  25          1HG       LYS  25   8.198   6.156  -6.283
  215    HG3  LYS  25          2HG       LYS  25   8.086   5.335  -7.841
  216    HD2  LYS  25          1HD       LYS  25   5.773   4.629  -7.237
  217    HD3  LYS  25          2HD       LYS  25   5.906   5.588  -5.764
  218    HE2  LYS  25          1HE       LYS  25   4.706   6.821  -7.484
  219    HE3  LYS  25          2HE       LYS  25   6.239   7.609  -7.119
  220    HZ1  LYS  25          1HZ       LYS  25   5.808   7.507  -9.502
  221    HZ2  LYS  25          2HZ       LYS  25   5.745   5.818  -9.436
  222    HZ3  LYS  25          3HZ       LYS  25   7.190   6.623  -9.095
  223    H    CYS  26           H        CYS  26   7.176   1.150  -5.004
  224    HA   CYS  26           HA       CYS  26   9.716  -0.157  -4.835
  225    HB2  CYS  26          2HB       CYS  26   8.367   0.032  -2.829
  226    HB3  CYS  26          1HB       CYS  26   7.029  -0.819  -3.594
  227    H    GLN  27           H        GLN  27   6.711  -0.727  -6.479
  228    HA   GLN  27           HA       GLN  27   7.779  -2.727  -8.173
  229    HB2  GLN  27          1HB       GLN  27   6.227  -4.573  -7.434
  230    HB3  GLN  27          2HB       GLN  27   7.545  -4.227  -6.322
  231    HG2  GLN  27          1HG       GLN  27   5.987  -2.888  -4.946
  232    HG3  GLN  27          2HG       GLN  27   4.676  -3.348  -6.031
  233   HE21  GLN  27          1HE2      GLN  27   6.307  -6.559  -4.149
  234   HE22  GLN  27          2HE2      GLN  27   7.292  -5.472  -5.057
  235    H    ALA  28           H        ALA  28   6.912  -1.875  -9.949
  236    HA   ALA  28           HA       ALA  28   4.058  -1.156  -9.972
  237    HB1  ALA  28          1HB       ALA  28   5.590   0.637 -10.627
  238    HB2  ALA  28          2HB       ALA  28   4.579   0.145 -11.986
  239    HB3  ALA  28          3HB       ALA  28   6.259  -0.386 -11.899
  Start of MODEL   20
    1    H1   ALA   1          1H        ALA   1  13.648   7.058   2.489
    2    H2   ALA   1          2H        ALA   1  13.509   6.522   4.088
    3    H3   ALA   1          3H        ALA   1  12.131   6.977   3.228
    4    HA   ALA   1           HA       ALA   1  12.337   5.150   1.747
    5    HB1  ALA   1          1HB       ALA   1  14.121   3.499   2.001
    6    HB2  ALA   1          2HB       ALA   1  14.835   4.460   3.297
    7    HB3  ALA   1          3HB       ALA   1  14.780   5.096   1.653
    8    H    GLU   2           H        GLU   2  10.589   4.109   2.432
    9    HA   GLU   2           HA       GLU   2  10.658   2.833   5.089
   10    HB2  GLU   2          1HB       GLU   2   8.120   2.942   4.955
   11    HB3  GLU   2          2HB       GLU   2   8.954   4.462   5.221
   12    HG2  GLU   2          1HG       GLU   2   8.047   3.579   2.494
   13    HG3  GLU   2          2HG       GLU   2   7.006   4.473   3.598
   14    H    ASP   3           H        ASP   3   9.894   0.729   5.262
   15    HA   ASP   3           HA       ASP   3  10.725  -0.951   3.196
   16    HB2  ASP   3          1HB       ASP   3   8.965  -1.624   5.568
   17    HB3  ASP   3          2HB       ASP   3   9.828  -2.795   4.575
   18    H    CYS   4           H        CYS   4   9.797  -1.542   1.384
   19    HA   CYS   4           HA       CYS   4   7.222  -0.725   0.612
   20    HB2  CYS   4          2HB       CYS   4   9.127  -2.728  -0.617
   21    HB3  CYS   4          1HB       CYS   4   7.646  -2.176  -1.397
   22    H    GLU   5           H        GLU   5   8.446  -3.847   1.771
   23    HA   GLU   5           HA       GLU   5   6.118  -5.350   1.317
   24    HB2  GLU   5          1HB       GLU   5   8.201  -6.453   1.906
   25    HB3  GLU   5          2HB       GLU   5   8.230  -5.652   3.471
   26    HG2  GLU   5          1HG       GLU   5   7.540  -7.909   3.805
   27    HG3  GLU   5          2HG       GLU   5   6.143  -6.871   4.075
   28    H    ARG   6           H        ARG   6   7.085  -3.316   4.032
   29    HA   ARG   6           HA       ARG   6   4.880  -3.952   5.691
   30    HB2  ARG   6          1HB       ARG   6   6.625  -1.474   5.653
   31    HB3  ARG   6          2HB       ARG   6   5.508  -1.904   6.943
   32    HG2  ARG   6          1HG       ARG   6   7.898  -3.544   6.093
   33    HG3  ARG   6          2HG       ARG   6   7.841  -2.465   7.487
   34    HD2  ARG   6          1HD       ARG   6   6.026  -4.848   7.091
   35    HD3  ARG   6          2HD       ARG   6   7.504  -4.867   8.053
   36    HE   ARG   6           HE       ARG   6   6.275  -2.910   9.264
   37   HH11  ARG   6          1HH1      ARG   6   4.892  -5.923   8.133
   38   HH12  ARG   6          2HH1      ARG   6   3.626  -5.926   9.323
   39   HH21  ARG   6          1HH2      ARG   6   4.612  -2.933  10.830
   40   HH22  ARG   6          2HH2      ARG   6   3.465  -4.236  10.841
   41    H    ILE   7           H        ILE   7   5.499  -1.311   3.393
   42    HA   ILE   7           HA       ILE   7   3.040   0.033   3.639
   43    HB   ILE   7           HB       ILE   7   4.770  -0.297   1.167
   44   HG12  ILE   7          1HG1      ILE   7   4.732   1.886   3.265
   45   HG13  ILE   7          2HG1      ILE   7   6.000   0.682   3.048
   46   HG21  ILE   7          1HG2      ILE   7   3.705   1.791   0.377
   47   HG22  ILE   7          2HG2      ILE   7   2.617   1.733   1.764
   48   HG23  ILE   7          3HG2      ILE   7   2.554   0.464   0.542
   49   HD11  ILE   7          1HD1      ILE   7   6.686   2.777   2.099
   50   HD12  ILE   7          2HD1      ILE   7   5.232   2.848   1.108
   51   HD13  ILE   7          3HD1      ILE   7   6.444   1.602   0.811
   52    H    ARG   8           H        ARG   8   4.011  -2.696   1.621
   53    HA   ARG   8           HA       ARG   8   1.647  -2.967   0.123
   54    HB2  ARG   8          1HB       ARG   8   3.917  -4.047  -0.290
   55    HB3  ARG   8          2HB       ARG   8   3.501  -5.214   0.949
   56    HG2  ARG   8          1HG       ARG   8   1.692  -4.794  -1.409
   57    HG3  ARG   8          2HG       ARG   8   3.124  -5.813  -1.547
   58    HD2  ARG   8          1HD       ARG   8   0.859  -6.184   0.421
   59    HD3  ARG   8          2HD       ARG   8   1.136  -7.141  -1.036
   60    HE   ARG   8           HE       ARG   8   3.384  -7.122   0.763
   61   HH11  ARG   8          1HH1      ARG   8   0.331  -8.689   0.055
   62   HH12  ARG   8          2HH1      ARG   8   0.781 -10.175   0.826
   63   HH21  ARG   8          1HH2      ARG   8   3.963  -9.058   1.773
   64   HH22  ARG   8          2HH2      ARG   8   2.838 -10.385   1.817
   65    H    LYS   9           H        LYS   9   2.708  -4.316   3.190
   66    HA   LYS   9           HA       LYS   9   0.466  -5.945   3.682
   67    HB2  LYS   9          1HB       LYS   9   2.518  -4.686   5.497
   68    HB3  LYS   9          2HB       LYS   9   1.195  -5.650   6.142
   69    HG2  LYS   9          1HG       LYS   9   3.240  -6.619   4.146
   70    HG3  LYS   9          2HG       LYS   9   3.266  -6.941   5.881
   71    HD2  LYS   9          1HD       LYS   9   0.990  -7.745   4.060
   72    HD3  LYS   9          2HD       LYS   9   2.343  -8.802   4.461
   73    HE2  LYS   9          1HE       LYS   9   0.502  -9.354   5.900
   74    HE3  LYS   9          2HE       LYS   9   1.743  -8.568   6.869
   75    HZ1  LYS   9          1HZ       LYS   9  -0.539  -7.818   7.361
   76    HZ2  LYS   9          2HZ       LYS   9  -0.660  -7.186   5.803
   77    HZ3  LYS   9          3HZ       LYS   9   0.471  -6.555   6.887
   78    H    GLU  10           H        GLU  10   1.114  -2.566   4.473
   79    HA   GLU  10           HA       GLU  10  -1.318  -2.134   5.883
   80    HB2  GLU  10          1HB       GLU  10   0.433  -0.145   4.410
   81    HB3  GLU  10          2HB       GLU  10  -0.817   0.265   5.569
   82    HG2  GLU  10          1HG       GLU  10   1.754  -1.201   6.110
   83    HG3  GLU  10          2HG       GLU  10   1.318   0.422   6.641
   84    H    LEU  11           H        LEU  11  -0.358  -2.001   2.533
   85    HA   LEU  11           HA       LEU  11  -2.742  -0.756   1.534
   86    HB2  LEU  11          1HB       LEU  11  -0.345  -0.903   0.500
   87    HB3  LEU  11          2HB       LEU  11  -0.856  -2.470  -0.087
   88    HG   LEU  11           HG       LEU  11  -1.008  -0.616  -1.764
   89   HD11  LEU  11          1HD1      LEU  11  -3.164  -1.234  -2.669
   90   HD12  LEU  11          2HD1      LEU  11  -3.658  -1.902  -1.115
   91   HD13  LEU  11          3HD1      LEU  11  -2.346  -2.654  -2.020
   92   HD21  LEU  11          1HD2      LEU  11  -2.857   0.984  -1.585
   93   HD22  LEU  11          2HD2      LEU  11  -1.686   1.183  -0.285
   94   HD23  LEU  11          3HD2      LEU  11  -3.222   0.378   0.030
   95    H    GLU  12           H        GLU  12  -1.709  -3.956   2.310
   96    HA   GLU  12           HA       GLU  12  -3.510  -5.516   0.854
   97    HB2  GLU  12          1HB       GLU  12  -1.478  -6.317   2.066
   98    HB3  GLU  12          2HB       GLU  12  -2.299  -6.009   3.589
   99    HG2  GLU  12          1HG       GLU  12  -2.496  -8.296   3.250
  100    HG3  GLU  12          2HG       GLU  12  -4.064  -7.636   2.797
  101    H    LYS  13           H        LYS  13  -3.685  -4.046   4.072
  102    HA   LYS  13           HA       LYS  13  -6.308  -5.096   4.610
  103    HB2  LYS  13          1HB       LYS  13  -4.793  -4.786   6.471
  104    HB3  LYS  13          2HB       LYS  13  -4.594  -3.083   6.086
  105    HG2  LYS  13          1HG       LYS  13  -6.056  -3.391   8.015
  106    HG3  LYS  13          2HG       LYS  13  -6.926  -2.656   6.669
  107    HD2  LYS  13          1HD       LYS  13  -8.334  -4.329   7.681
  108    HD3  LYS  13          2HD       LYS  13  -7.832  -4.902   6.090
  109    HE2  LYS  13          1HE       LYS  13  -7.711  -6.714   7.689
  110    HE3  LYS  13          2HE       LYS  13  -6.084  -6.279   7.167
  111    HZ1  LYS  13          1HZ       LYS  13  -6.289  -6.656   9.582
  112    HZ2  LYS  13          2HZ       LYS  13  -7.343  -5.337   9.688
  113    HZ3  LYS  13          3HZ       LYS  13  -5.737  -5.101   9.208
  114    H    ASN  14           H        ASN  14  -5.002  -1.801   4.100
  115    HA   ASN  14           HA       ASN  14  -7.718  -0.975   3.282
  116    HB2  ASN  14          1HB       ASN  14  -7.097  -0.153   5.574
  117    HB3  ASN  14          2HB       ASN  14  -5.765   0.735   4.843
  118   HD21  ASN  14          1HD2      ASN  14  -7.763   3.309   3.576
  119   HD22  ASN  14          2HD2      ASN  14  -6.222   2.527   3.539
  120    HA   PRO  15           HA       PRO  15  -5.060   0.069  -0.227
  121    HB2  PRO  15          2HB       PRO  15  -6.966  -0.004  -2.122
  122    HB3  PRO  15          1HB       PRO  15  -6.311  -1.482  -1.404
  123    HG2  PRO  15          2HG       PRO  15  -8.874  -0.050  -0.788
  124    HG3  PRO  15          1HG       PRO  15  -8.582  -1.791  -0.971
  125    HD2  PRO  15          2HD       PRO  15  -8.740  -0.514   1.456
  126    HD3  PRO  15          1HD       PRO  15  -7.830  -2.012   1.186
  127    H    ASN  16           H        ASN  16  -4.432   2.153  -0.138
  128    HA   ASN  16           HA       ASN  16  -6.398   4.224  -0.910
  129    HB2  ASN  16          1HB       ASN  16  -3.804   4.603   0.627
  130    HB3  ASN  16          2HB       ASN  16  -4.920   5.882   0.163
  131   HD21  ASN  16          1HD2      ASN  16  -7.202   5.271   2.742
  132   HD22  ASN  16          2HD2      ASN  16  -6.937   6.015   1.204
  133    H    ASP  17           H        ASP  17  -5.876   5.524  -2.650
  134    HA   ASP  17           HA       ASP  17  -4.172   4.445  -4.607
  135    HB2  ASP  17          1HB       ASP  17  -4.708   6.341  -5.955
  136    HB3  ASP  17          2HB       ASP  17  -6.149   5.969  -5.020
  137    H    GLU  18           H        GLU  18  -3.710   7.107  -2.327
  138    HA   GLU  18           HA       GLU  18  -1.235   8.037  -3.189
  139    HB2  GLU  18          1HB       GLU  18  -2.298   7.822  -0.362
  140    HB3  GLU  18          2HB       GLU  18  -0.891   8.770  -0.832
  141    HG2  GLU  18          1HG       GLU  18  -2.313  10.150  -2.280
  142    HG3  GLU  18          2HG       GLU  18  -3.720   9.210  -1.779
  143    H    ILE  19           H        ILE  19  -1.862   5.634  -0.639
  144    HA   ILE  19           HA       ILE  19   0.812   4.930  -0.170
  145    HB   ILE  19           HB       ILE  19  -1.683   3.247   0.224
  146   HG12  ILE  19          1HG1      ILE  19  -1.800   5.415   1.392
  147   HG13  ILE  19          2HG1      ILE  19  -1.658   4.085   2.536
  148   HG21  ILE  19          1HG2      ILE  19   1.062   2.974   1.454
  149   HG22  ILE  19          2HG2      ILE  19   0.307   1.865   0.307
  150   HG23  ILE  19          3HG2      ILE  19  -0.365   2.049   1.927
  151   HD11  ILE  19          1HD1      ILE  19  -0.294   5.997   3.180
  152   HD12  ILE  19          2HD1      ILE  19   0.590   5.890   1.655
  153   HD13  ILE  19          3HD1      ILE  19   0.704   4.584   2.835
  154    H    LYS  20           H        LYS  20  -1.626   3.592  -2.316
  155    HA   LYS  20           HA       LYS  20  -0.278   1.339  -3.266
  156    HB2  LYS  20          1HB       LYS  20  -2.671   1.745  -3.584
  157    HB3  LYS  20          2HB       LYS  20  -2.321   3.119  -4.619
  158    HG2  LYS  20          1HG       LYS  20  -1.307   1.601  -6.270
  159    HG3  LYS  20          2HG       LYS  20  -1.701   0.229  -5.225
  160    HD2  LYS  20          1HD       LYS  20  -4.082   0.760  -5.401
  161    HD3  LYS  20          2HD       LYS  20  -3.708   2.167  -6.396
  162    HE2  LYS  20          1HE       LYS  20  -2.748   0.677  -8.107
  163    HE3  LYS  20          2HE       LYS  20  -3.184  -0.718  -7.116
  164    HZ1  LYS  20          1HZ       LYS  20  -5.129   1.264  -8.168
  165    HZ2  LYS  20          2HZ       LYS  20  -5.489  -0.172  -7.350
  166    HZ3  LYS  20          3HZ       LYS  20  -4.798  -0.225  -8.890
  167    H    LYS  21           H        LYS  21  -0.215   4.697  -4.329
  168    HA   LYS  21           HA       LYS  21   1.457   4.147  -6.619
  169    HB2  LYS  21          1HB       LYS  21  -0.228   5.966  -6.621
  170    HB3  LYS  21          2HB       LYS  21   0.684   6.791  -5.363
  171    HG2  LYS  21          1HG       LYS  21   2.597   6.993  -6.903
  172    HG3  LYS  21          2HG       LYS  21   1.649   6.203  -8.163
  173    HD2  LYS  21          1HD       LYS  21  -0.004   8.033  -8.048
  174    HD3  LYS  21          2HD       LYS  21   0.977   8.827  -6.812
  175    HE2  LYS  21          1HE       LYS  21   2.828   9.019  -8.413
  176    HE3  LYS  21          2HE       LYS  21   1.844   8.229  -9.646
  177    HZ1  LYS  21          1HZ       LYS  21   0.255  10.074  -9.448
  178    HZ2  LYS  21          2HZ       LYS  21   1.785  10.589  -9.955
  179    HZ3  LYS  21          3HZ       LYS  21   1.295  10.845  -8.357
  180    H    LYS  22           H        LYS  22   1.867   5.401  -3.350
  181    HA   LYS  22           HA       LYS  22   4.556   6.260  -3.709
  182    HB2  LYS  22          1HB       LYS  22   2.903   5.714  -1.242
  183    HB3  LYS  22          2HB       LYS  22   4.565   6.293  -1.161
  184    HG2  LYS  22          1HG       LYS  22   3.905   8.268  -2.501
  185    HG3  LYS  22          2HG       LYS  22   2.239   7.692  -2.483
  186    HD2  LYS  22          1HD       LYS  22   2.180   7.896  -0.049
  187    HD3  LYS  22          2HD       LYS  22   3.866   8.422  -0.041
  188    HE2  LYS  22          1HE       LYS  22   3.225  10.378  -1.420
  189    HE3  LYS  22          2HE       LYS  22   1.542   9.861  -1.332
  190    HZ1  LYS  22          1HZ       LYS  22   2.051  11.585   0.286
  191    HZ2  LYS  22          2HZ       LYS  22   3.232  10.601   0.994
  192    HZ3  LYS  22          3HZ       LYS  22   1.605  10.146   1.057
  193    H    LEU  23           H        LEU  23   3.061   3.236  -2.986
  194    HA   LEU  23           HA       LEU  23   5.197   1.775  -1.941
  195    HB2  LEU  23          1HB       LEU  23   2.670   1.168  -2.508
  196    HB3  LEU  23          2HB       LEU  23   3.373   0.551  -3.987
  197    HG   LEU  23           HG       LEU  23   4.117  -0.369  -1.200
  198   HD11  LEU  23          1HD1      LEU  23   2.380  -1.683  -3.288
  199   HD12  LEU  23          2HD1      LEU  23   1.842  -1.004  -1.751
  200   HD13  LEU  23          3HD1      LEU  23   2.896  -2.417  -1.769
  201   HD21  LEU  23          1HD2      LEU  23   5.963  -0.657  -2.749
  202   HD22  LEU  23          2HD2      LEU  23   4.900  -1.454  -3.908
  203   HD23  LEU  23          3HD2      LEU  23   5.251  -2.221  -2.360
  204    H    GLU  24           H        GLU  24   4.570   2.948  -5.162
  205    HA   GLU  24           HA       GLU  24   6.321   1.292  -6.613
  206    HB2  GLU  24          1HB       GLU  24   5.422   4.125  -7.180
  207    HB3  GLU  24          2HB       GLU  24   6.250   3.091  -8.334
  208    HG2  GLU  24          1HG       GLU  24   3.551   2.544  -7.106
  209    HG3  GLU  24          2HG       GLU  24   3.843   3.169  -8.729
  210    H    LYS  25           H        LYS  25   6.903   4.162  -4.670
  211    HA   LYS  25           HA       LYS  25   9.705   4.163  -5.607
  212    HB2  LYS  25          1HB       LYS  25   8.261   6.132  -6.338
  213    HB3  LYS  25          2HB       LYS  25   8.243   6.624  -4.647
  214    HG2  LYS  25          1HG       LYS  25  10.580   6.981  -4.621
  215    HG3  LYS  25          2HG       LYS  25  10.798   6.144  -6.156
  216    HD2  LYS  25          1HD       LYS  25   9.403   7.979  -7.208
  217    HD3  LYS  25          2HD       LYS  25   9.557   8.846  -5.675
  218    HE2  LYS  25          1HE       LYS  25  11.253   9.532  -7.342
  219    HE3  LYS  25          2HE       LYS  25  11.966   8.862  -5.875
  220    HZ1  LYS  25          1HZ       LYS  25  12.315   6.777  -7.010
  221    HZ2  LYS  25          2HZ       LYS  25  13.023   8.024  -7.902
  222    HZ3  LYS  25          3HZ       LYS  25  11.555   7.357  -8.408
  223    H    CYS  26           H        CYS  26   8.320   2.897  -3.206
  224    HA   CYS  26           HA       CYS  26   9.804   4.103  -1.019
  225    HB2  CYS  26          2HB       CYS  26   9.047   2.033   0.221
  226    HB3  CYS  26          1HB       CYS  26   7.745   3.032  -0.414
  227    H    GLN  27           H        GLN  27  10.282   1.838  -3.513
  228    HA   GLN  27           HA       GLN  27  12.468   0.421  -2.264
  229    HB2  GLN  27          1HB       GLN  27  12.612  -0.762  -4.432
  230    HB3  GLN  27          2HB       GLN  27  10.986  -0.789  -3.760
  231    HG2  GLN  27          1HG       GLN  27  10.402   1.114  -5.269
  232    HG3  GLN  27          2HG       GLN  27  11.991   0.947  -6.013
  233   HE21  GLN  27          1HE2      GLN  27   9.273  -0.935  -7.852
  234   HE22  GLN  27          2HE2      GLN  27   9.334   0.658  -7.179
  235    H    ALA  28           H        ALA  28  12.040   3.080  -4.498
  236    HA   ALA  28           HA       ALA  28  14.758   3.893  -4.258
  237    HB1  ALA  28          1HB       ALA  28  15.091   2.089  -5.886
  238    HB2  ALA  28          2HB       ALA  28  15.421   3.665  -6.606
  239    HB3  ALA  28          3HB       ALA  28  13.907   2.832  -6.963