*HEADER    HORMONE/GROWTH FACTOR                   18-SEP-06   2JM2              
*TITLE     STRUCTURE OF THE N-TERMINAL SUBDOMAIN OF INSULIN-LIKE                 
*TITLE    2 GROWTH FACTOR (IGF) BINDING PROTEIN-6 AND ITS INTERACTIONS           
*TITLE    3 WITH IGFS                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: INSULIN-LIKE GROWTH FACTOR-BINDING PROTEIN 6;              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL SUBDOMAIN OF IGFBP-6, RESIDUES 25-69;           
*COMPND   5 SYNONYM: IGFBP-6, IBP- 6, IGF-BINDING PROTEIN 6;                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE OF THIS PROTEIN NATURALLY                
*SOURCE   4 EXISTS IN HOMO SAPIENS (HUMAN).                                      
*KEYWDS    INSULIN LIKE GROWTH FACTOR BINDING PROTEIN, GROWTH FACTOR             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    I.R.CHANDRASHEKARAN, S.YAO, C.C.WANG, P.S.BANSAL,                     
*AUTHOR   2 P.F.ALEWOOD, B.E.FORBES, J.C.WALLACE, L.A.BACH, R.S.NORTON           
*REVDAT   1   27-MAR-07 2JM2    0                                                


class ss              
assign (resid 5 and name sg ) (resid 8 and name sg ) 2.02 0.1 0.0
assign (resid 16 and name sg ) (resid 20 and name sg ) 2.02 0.1 0.0
assign (resid 33 and name sg ) (resid 39 and name sg ) 2.02 0.1 0.0

class long              
assign  (resid   16     and     name    HB2     )       (resid  20      and     name    HN     )       4.50    2.70     0.0
assign  (resid   16     and     name    HB1     )       (resid  20      and     name    HN     )       4.54    2.74     0.0
 
class short              
!HN(i)-HN(i+2) 
assign  (resid  25      and     name    HN      )       (resid  27      and     name    HN     )       3.98    2.18     0.0
assign  (resid  36      and     name    HN      )       (resid  38      and     name    HN     )       4.80    3.00     0.0 
!HN(i)-HN(i+3)
assign  (resid  35      and     name    HN      )       (resid  38      and     name    HN     )       4.00    2.20     0.0
!HN(i)-HN(i+4)
assign  (resid  16      and     name    HN      )       (resid  20      and     name    HN     )       5.24    3.44     0.0
!HA(i)-HN(i+2)
assign  (resid  29      and     name    HA      )       (resid  31      and     name    HN     )       3.95    2.15     0.0
assign  (resid  37      and     name    HA      )       (resid  39      and     name    HN     )       4.00    2.20     0.0
assign  (resid  33      and     name    HA      )       (resid  35      and     name    HN     )       4.02    2.22     0.0
assign  (resid  32      and     name    HA#     )       (resid  34      and     name    HN     )       6.19    4.39     0.0
assign  (resid  21      and     name    HA      )       (resid  23      and     name    HN     )       3.54    1.74     0.0
assign  (resid  35      and     name    HA      )       (resid  37      and     name    HN     )       4.00    2.20     0.0
assign  (resid  20      and     name    HA      )       (resid  22      and     name    HN     )       4.32    2.52     0.0
assign  (resid  10      and     name    HA      )       (resid  12      and     name    HN     )       3.76    1.96     0.0
assign  (resid  43      and     name    HA      )       (resid  45      and     name    HN     )       4.06    2.26     0.0
assign  (resid   6      and     name    HA      )       (resid   8      and     name    HN     )       3.47    1.67     0.0
!HA(i)-HN(i+3)
assign  (resid  32      and     name    HA#     )       (resid  35      and     name    HN     )       5.75    3.95     0.0
       
!others 
assign  (resid  16      and     name    HB2     )       (resid  19      and     name    HN     )       4.50    2.70     0.0
assign  (resid  16      and     name    HB1     )       (resid  19      and     name    HN     )       4.72    2.92     0.0
assign  (resid  33      and     name    HB#     )       (resid  35      and     name    HN     )       5.45    3.65     0.0
assign  (resid  25      and     name    HB#     )       (resid  27      and     name    HN     )       6.19    4.39     0.0
assign  (resid  35      and     name    HB2     )       (resid  37      and     name    HN     )       4.54    2.74     0.0
assign  (resid  36      and     name    HB#     )       (resid  38      and     name    HN     )       6.53    4.73     0.0
assign  (resid  14      and     name    HB#     )       (resid  16      and     name    HN     )       6.53    4.73     0.0
assign  (resid  31      and     name    HG#     )       (resid  34      and     name    HN     )       6.38    4.58     0.0
assign  (resid  14      and     name    HB#     )       (resid  16      and     name    HN     )       6.53    4.73     0.0
assign  (resid   6      and     name    HD2     )       (resid   8      and     name    HN     )       5.50    3.70     0.0
assign  (resid   6      and     name    HG#     )       (resid   8      and     name    HN     )       6.38    4.58     0.0
assign  (resid  31      and     name    HG#     )       (resid  34      and     name    HN     )       6.38    4.58     0.0
assign  (resid  37      and     name    HG#     )       (resid  40      and     name    HN     )       6.38    4.58     0.0
assign  (resid  21      and     name    HG*     )       (resid  23      and     name    HN     )       7.62    5.82     0.0

!class sequential
!HN(i)-HN(i+1)
assign (resid   41      and    name   HN      )        (resid  42       and     name    HN     )       3.61     1.81    0.0
assign (resid    4      and    name   HN      )        (resid   5       and     name    HN     )       4.54     2.74    0.0
assign (resid   42      and    name   HN      )        (resid  43       and     name    HN     )       3.21     1.41    0.0
assign (resid    7      and    name   HN      )        (resid   8       and     name    HN     )       3.58     1.78    0.0
assign (resid    8      and    name   HN      )        (resid   9       and     name    HN     )       4.09     2.29    0.0
assign (resid    9      and    name   HN      )        (resid  10       and     name    HN     )       4.32     2.52    0.0
assign (resid   10      and    name   HN      )        (resid  11       and     name    HN     )       3.35     1.55    0.0
assign (resid   11      and    name   HN      )        (resid  12       and     name    HN     )       3.32     1.40    0.0
assign (resid   12      and    name   HN      )        (resid  13       and     name    HN     )       3.17     1.37    0.0
assign (resid   15      and    name   HN      )        (resid  16       and     name    HN     )       3.47     1.67    0.0
assign (resid   18      and    name   HN      )        (resid  19       and     name    HN     )       3.35     1.55    0.0
assign (resid   19      and    name   HN      )        (resid  20       and     name    HN     )       3.17     1.37    0.0
assign (resid   20      and    name   HN      )        (resid  21       and     name    HN     )       4.39     2.59    0.0
assign (resid   21      and    name   HN      )        (resid  22       and     name    HN     )       3.98     2.18    0.0
assign (resid   22      and    name   HN      )        (resid  23       and     name    HN     )       3.91     2.11    0.0
assign (resid   31      and    name   HN      )        (resid  32       and     name    HN     )       2.91     1.11    0.0
assign (resid   32      and    name   HN      )        (resid  33       and     name    HN     )       2.87     1.07    0.0
assign (resid   33      and    name   HN      )        (resid  34       and     name    HN     )       4.09     2.29    0.0
assign (resid   34      and    name   HN      )        (resid  35       and     name    HN     )       3.24     1.44    0.0
assign (resid   35      and    name   HN      )        (resid  36       and     name    HN     )       4.00     2.20    0.0
assign (resid   36      and    name   HN      )        (resid  37       and     name    HN     )       3.47     1.67    0.0
assign (resid   37      and    name   HN      )        (resid  38       and     name    HN     )       3.17     1.37    0.0
assign (resid   39      and    name   HN      )        (resid  40       and     name    HN     )       3.40     1.60    0.0
assign (resid   44      and    name   HN      )        (resid  45       and     name    HN     )       3.72     1.92    0.0                
!HA(i)-HN(i+1)
assign (resid   38      and    name   HA1     )        (resid  39       and     name    HN     )       3.40     1.6     0.0
assign (resid   38      and    name   HA2     )        (resid  39       and     name    HN     )       3.00     1.2     0.0
assign (resid   20      and    name   HA      )        (resid  21       and     name    HN     )       3.40     1.6     0.0
assign (resid    6      and    name   HA      )        (resid   7       and     name    HN     )       2.98     1.18    0.0
assign (resid   33      and    name   HA      )        (resid  34       and     name    HN     )       3.00     1.2     0.0
assign (resid   17      and    name   HA      )        (resid  18       and     name    HN     )       3.00     1.2     0.0
assign (resid   19      and    name   HA1     )        (resid  20       and     name    HN     )       3.40     1.6     0.0
assign (resid   19      and    name   HA2     )        (resid  20       and     name    HN     )       3.20     1.4     0.0
assign (resid    8      and    name   HA      )        (resid   9       and     name    HN     )       3.50     1.7     0.0
assign (resid   35      and    name   HA      )        (resid  36       and     name    HN     )       3.80     2.0     0.0
assign (resid   21      and    name   HA      )        (resid  22       and     name    HN     )       3.20     1.4     0.0
assign (resid   10      and    name   HA      )        (resid  11       and     name    HN     )       4.00     2.2     0.0
assign (resid   12      and    name   HA      )        (resid  13       and     name    HN     )       3.00     1.2     0.0
assign (resid   24      and    name   HA      )        (resid  25       and     name    HN     )       3.80     2.0     0.0
assign (resid   25      and    name   HA      )        (resid  26       and     name    HN     )       3.17     1.37    0.0
assign (resid   14      and    name   HA      )        (resid  15       and     name    HN     )       3.20     1.4     0.0
assign (resid   31      and    name   HA      )        (resid  32       and     name    HN     )       3.20     1.4     0.0
assign (resid   29      and    name   HA      )        (resid  30       and     name    HN     )       3.00     1.2     0.0
assign (resid   13      and    name   HA      )        (resid  14       and     name    HN     )       3.20     1.4     0.0
assign (resid    9      and    name   HA#     )        (resid  10       and     name    HN     )       3.90     2.1     0.0
assign (resid   39      and    name   HA      )        (resid  40       and     name    HN     )       3.50     1.7     0.0
assign (resid   40      and    name   HA      )        (resid  41       and     name    HN     )       3.00     1.2     0.0
assign (resid   30      and    name   HA      )        (resid  31       and     name    HN     )       3.00     1.2     0.0
assign (resid   32      and    name   HA#     )        (resid  33       and     name    HN     )       3.60     1.8     0.0
assign (resid   26      and    name   HA#     )        (resid  27       and     name    HN     )       3.60     1.8     0.0
assign (resid   36      and    name   HA      )        (resid  37       and     name    HN     )       3.28     1.48    0.0
assign (resid   27      and    name   HA#     )        (resid  28       and     name    HN     )       4.12     2.32    0.0
assign (resid   15      and    name   HA#     )        (resid  16       and     name    HN     )       4.12     2.32    0.0
assign (resid   37      and    name   HA      )        (resid  38       and     name    HN     )       3.80     2.00    0.0
assign (resid   11      and    name   HA#     )        (resid  12       and     name    HN     )       4.05     2.25    0.0
assign (resid   18      and    name   HA1     )        (resid  19       and     name    HN     )       3.47     1.67    0.0
assign (resid   18      and    name   HA2     )        (resid  19       and     name    HN     )       3.54     1.74    0.0
assign (resid   34      and    name   HA      )        (resid  35       and     name    HN     )       3.60     1.80    0.0
assign (resid   44      and    name   HA1     )        (resid  45       and     name    HN     )       3.69     1.89    0.0
assign (resid   44      and    name   HA2     )        (resid  45       and     name    HN     )       3.95     2.15    0.0
assign (resid   22      and    name   HA      )        (resid  23       and     name    HN     )       3.00     1.2     0.0
assign (resid    3      and    name   HA      )        (resid   4       and     name    HN     )       3.00     1.2     0.0
assign (resid    4      and    name   HA      )        (resid   5       and     name    HN     )       3.00     1.2     0.0
assign (resid    7      and    name   HA1     )        (resid   8       and     name    HN     )       3.76     1.96    0.0
assign (resid    7      and    name   HA2     )        (resid   8       and     name    HN     )       3.91     2.11    0.0
assign (resid    1      and    name   HA      )        (resid   2       and     name    HN     )       3.00     1.2     0.0
assign (resid   23      and    name   HA      )        (resid  24       and     name    HN     )       3.00     1.2     0.0
assign (resid   43      and    name   HA      )        (resid  44       and     name    HN     )       3.00     1.2     0.0
assign (resid   42      and    name   HA      )        (resid  43       and     name    HN     )       3.20     1.4     0.0

               
!HB(i)-HN(i+1)
assign (resid    6      and    name   HB1     )        (resid   7       and     name    HN     )       4.65      2.85    0.0
assign (resid   17      and    name   HB1     )        (resid  18       and     name    HN     )       4.35      2.55    0.0
assign (resid   17      and    name   HB2     )        (resid  18       and     name    HN     )       4.87      3.07    0.0
assign (resid   33      and    name   HB#     )        (resid  34       and     name    HN     )       4.67      2.87    0.0
assign (resid    8      and    name   HB1     )        (resid   9       and     name    HN     )       4.50      2.70    0.0
assign (resid    8      and    name   HB2     )        (resid   9       and     name    HN     )       3.87      2.07    0.0
assign (resid   35      and    name   HB1     )        (resid  36       and     name    HN     )       3.76      1.96    0.0
assign (resid   35      and    name   HB2     )        (resid  36       and     name    HN     )       4.06      2.26    0.0
assign (resid   42      and    name   HB2     )        (resid  43       and     name    HN     )       4.13      2.33    0.0
assign (resid   42      and    name   HB1     )        (resid  43       and     name    HN     )       4.50      2.70    0.0
assign (resid    2      and    name   HB#     )        (resid   3       and     name    HN     )       5.67      3.87    0.0
assign (resid   25      and    name   HB#     )        (resid  26       and     name    HN     )       5.19      3.39    0.0
assign (resid    4      and    name   HB2     )        (resid   5       and     name    HN     )       4.13      2.33    0.0
assign (resid    4      and    name   HB1     )        (resid   5       and     name    HN     )       4.09      2.29    0.0
assign (resid   20      and    name   HB1     )        (resid  21       and     name    HN     )       3.50      1.70    0.0
assign (resid   20      and    name   HB2     )        (resid  21       and     name    HN     )       3.98      2.18    0.0
assign (resid   29      and    name   HB#     )        (resid  30       and     name    HN     )       5.93      4.13    0.0
assign (resid   13      and    name   HB2     )        (resid  14       and     name    HN     )       3.32      1.52    0.0
assign (resid   39      and    name   HB2     )        (resid  40       and     name    HN     )       3.35      1.55    0.0
assign (resid   39      and    name   HB1     )        (resid  40       and     name    HN     )       3.50      1.70    0.0
assign (resid   37      and    name   HB1     )        (resid  38       and     name    HN     )       3.80      2.0     0.0
assign (resid   37      and    name   HB2     )        (resid  38       and     name    HN     )       4.00      2.2     0.0
assign (resid   31      and    name   HB1     )        (resid  32       and     name    HN     )       2.95      1.15    0.0
assign (resid    6      and    name   HB2     )        (resid   7       and     name    HN     )       5.06      3.26    0.0
assign (resid   36      and    name   HB#     )        (resid  37       and     name    HN     )       5.68      3.88    0.0
assign (resid    1      and    name   HB#     )        (resid   2       and     name    HN     )       6.53      4.73    0.0
assign (resid    3      and    name   HB#     )        (resid   4       and     name    HN     )       6.08      4.28    0.0
assign (resid   14      and    name   HB#     )        (resid  15       and     name    HN     )       5.79      3.99    0.0
assign (resid   30      and    name   HB#     )        (resid  31       and     name    HN     )       5.71      3.91    0.0
assign (resid   34      and    name   HB#     )        (resid  35       and     name    HN     )       6.12      4.32    0.0

!HG(i)-HN(i+1)
assign (resid    6      and    name   HG#     )        (resid   7       and     name     HN     )      6.38      4.58    0.0
assign (resid   17      and    name   HG#     )        (resid  18       and     name     HN     )      6.38      4.58    0.0
assign (resid   35      and    name   HG#     )        (resid  36       and     name     HN     )      6.38      4.58    0.0
assign (resid   42      and    name   HG#     )        (resid  43       and     name     HN     )      6.30      4.50    0.0
assign (resid    4      and    name   HG#     )        (resid   5       and     name     HN     )      6.38      4.58    0.0
assign (resid   29      and    name   HG#     )        (resid  30       and     name     HN     )      6.38      4.58    0.0
assign (resid   13      and    name   HG#     )        (resid  14       and     name     HN     )      6.38      4.58    0.0
assign (resid   37      and    name   HG#     )        (resid  38       and     name     HN     )      6.38      4.58    0.0
assign (resid   31      and    name   HG#     )        (resid  32       and     name     HN     )      5.93      4.13    0.0
assign (resid   21      and    name   HG*     )        (resid  22       and     name     HN     )      7.62      5.82    0.0
assign (resid   12      and    name   HG*     )        (resid  13       and     name     HN     )      7.62      5.82    0.0

!HD(i)-HN(i+1)
assign (resid    6      and    name   HD2     )        (resid   7       and     name      HN     )     5.50      3.70    0.0
assign (resid   17      and    name   HD1     )        (resid  18       and     name      HN     )     5.50      3.70    0.0
assign (resid   17      and    name   HD2     )        (resid  18       and     name      HN     )     5.50      3.70    0.0
assign (resid   16      and    name   HN      )        (resid  17       and     name      HD1    )     5.50      3.70    0.0
assign (resid   16      and    name   HN      )        (resid  17       and     name      HD2    )     5.50      3.70    0.0
assign (resid    5      and    name   HN      )        (resid   6       and     name      HD2    )     5.50      3.70    0.0
assign (resid   29      and    name   HD#     )        (resid  30       and     name      HN     )     6.38      4.58    0.0
assign (resid   28      and    name   HN      )        (resid  29       and     name      HD2    )     5.50      3.70    0.0
assign (resid   40      and    name   HD21    )        (resid  41       and     name      HN     )     4.87      3.07    0.0
assign (resid   40      and    name   HD22    )        (resid  41       and     name      HN     )     3.98      2.18    0.0

!others 
assign (resid   11      and    name   HA#     )        (resid  12       and     name      HB      )     5.75      3.95   0.0
assign (resid   33      and    name   HA      )        (resid  34       and     name      HB#     )     6.45      4.65   0.0
assign (resid   11      and    name   HA#     )        (resid  12       and     name      HB      )     5.75      3.95   0.0
assign (resid   12      and    name   HA      )        (resid  13       and     name      HG#     )     6.38      4.58   0.0
assign (resid   28      and    name   HA      )        (resid  29       and     name      HD#     )     5.90      4.10   0.0
assign (resid   16      and    name   HA      )        (resid  17       and     name      HD1     )     5.50      3.70   0.0
assign (resid   16      and    name   HA      )        (resid  17       and     name      HD2     )     5.50      3.70   0.0
assign (resid    5      and    name   HA      )        (resid   6       and     name      HD2     )     5.24      3.44   0.0
assign (resid   11      and    name   HA#     )        (resid  12       and     name      HG*     )     8.50      6.70   0.0
assign (resid   20      and    name   HA      )        (resid  21       and     name      HG*     )     7.62      5.82   0.0
assign (resid   16      and    name   HB1     )        (resid  17       and     name      HD2     )     5.50      3.70   0.0
assign (resid   16      and    name   HB1     )        (resid  17       and     name      HD1     )     5.50      3.70   0.0
assign (resid   16      and    name   HB2     )        (resid  17       and     name      HD2     )     5.50      3.70   0.0
assign (resid   16      and    name   HB2     )        (resid  17       and     name      HD1     )     5.50      3.70   0.0
assign (resid    5      and    name   HB2     )        (resid   6       and     name      HD2     )     4.35      2.55   0.0
assign (resid    5      and    name   HB1     )        (resid   6       and     name      HD2     )     5.50      3.70   0.0
assign (resid   28      and    name   HB#     )        (resid  29       and     name      HD#     )     5.37      3.57   0.0
assign (resid   33      and    name   HA      )        (resid  34       and     name      HB#     )     6.45      4.65   0.0
assign (resid   34      and    name   HB#     )        (resid  35       and     name      HG#     )     7.40      5.60   0.0
assign (resid   28      and    name   HA      )        (resid  29       and     name      HD#     )     5.90      4.10   0.0
assign (resid   34      and    name   HB#     )        (resid  35       and     name      HG#     )     7.40      5.60   0.0
assign (resid   12      and    name   HG*     )        (resid  13       and     name      HG#     )     8.50      6.70   0.0
assign (resid   16      and    name   HA      )        (resid  17       and     name      HD1     )     5.50      3.70   0.0
assign (resid   16      and    name   HA      )        (resid  17       and     name      HD2     )     5.50      3.70   0.0
assign (resid    5      and    name   HA      )        (resid   6       and     name      HD2     )     5.24      3.44   0.0
assign (resid   28      and    name   HB#     )        (resid  29       and     name      HD#     )     5.37      3.57   0.0
assign (resid   16      and    name   HB1     )        (resid  17       and     name      HD2     )     5.50      3.70   0.0
assign (resid   16      and    name   HB1     )        (resid  17       and     name      HD1     )     5.50      3.70   0.0
assign (resid   16      and    name   HB2     )        (resid  17       and     name      HD2     )     5.50      3.70   0.0
assign (resid   16      and    name   HB2     )        (resid  17       and     name      HD1     )     5.50      3.70   0.0
assign (resid    5      and    name   HB2     )        (resid   6       and     name      HD2     )     4.35      2.55   0.0
assign (resid    5      and    name   HB1     )        (resid   6       and     name      HD2     )     5.50      3.70   0.0
assign (resid   40      and    name   HD22    )        (resid  41       and     name      HD#     )     6.38      4.58   0.0
assign (resid   11      and    name   HA#     )        (resid  12       and     name      HG*     )     8.50      6.70   0.0
assign (resid   20      and    name   HA      )        (resid  21       and     name      HG*     )     7.62      5.82   0.0
assign (resid   12      and    name   HG*     )        (resid  13       and     name      HG#     )     8.50      6.70   0.0
 
             
class intra
!HN(i)-HA(i) 
assign (resid    7      and    name   HN      )        (resid   7       and     name       HA2     )    3.28      1.48   0.0
assign (resid    7      and    name   HN      )        (resid   7       and     name       HA1     )    3.24      1.44   0.0
assign (resid   20      and    name   HN      )        (resid  20       and     name       HA      )    3.21      1.41   0.0
assign (resid   18      and    name   HN      )        (resid  18       and     name       HA1     )    3.28      1.48   0.0
assign (resid   18      and    name   HN      )        (resid  18       and     name       HA2     )    3.13      1.33   0.0
assign (resid    9      and    name   HN      )        (resid   9       and     name       HA#     )    3.00      1.20   0.0
assign (resid   36      and    name   HN      )        (resid  36       and     name       HA      )    3.24      1.44   0.0
assign (resid   22      and    name   HN      )        (resid  22       and     name       HA      )    2.80      1.00   0.0
assign (resid    2      and    name   HN      )        (resid   2       and     name       HA      )    2.80      1.00   0.0
assign (resid   44      and    name   HN      )        (resid  44       and     name       HA1     )    2.73      0.93   0.0
assign (resid   44      and    name   HN      )        (resid  44       and     name       HA2     )    3.24      1.44   0.0
assign (resid   43      and    name   HN      )        (resid  43       and     name       HA      )    2.80      1.00   0.0
assign (resid   11      and    name   HN      )        (resid  11       and     name       HA#     )    3.93      2.13   0.0
assign (resid   13      and    name   HN      )        (resid  13       and     name       HA      )    2.80      1.00   0.0
assign (resid   25      and    name   HN      )        (resid  25       and     name       HA      )    3.43      1.63   0.0
assign (resid    3      and    name   HN      )        (resid   3       and     name       HA      )    2.80      1.00   0.0
assign (resid    4      and    name   HN      )        (resid   4       and     name       HA      )    2.80      1.00   0.0
assign (resid   26      and    name   HN      )        (resid  26       and     name       HA#     )    3.49      1.69   0.0
assign (resid   42      and    name   HN      )        (resid  42       and     name       HA      )    2.80      1.00   0.0
assign (resid   32      and    name   HN      )        (resid  32       and     name       HA#     )    3.00      1.20   0.0
assign (resid   15      and    name   HN      )        (resid  15       and     name       HA#     )    3.00      1.20   0.0
assign (resid   30      and    name   HN      )        (resid  30       and     name       HA      )    2.80      1.00   0.0
assign (resid   14      and    name   HN      )        (resid  14       and     name       HA      )    3.00      1.20   0.0
assign (resid   21      and    name   HN      )        (resid  21       and     name       HA      )    3.28      1.48   0.0
assign (resid   10      and    name   HN      )        (resid  10       and     name       HA      )    2.80      1.00   0.0
assign (resid   40      and    name   HN      )        (resid  40       and     name       HA      )    2.80      1.00   0.0
assign (resid   41      and    name   HN      )        (resid  41       and     name       HA      )    2.80      1.00   0.0
assign (resid   31      and    name   HN      )        (resid  31       and     name       HA      )    2.80      1.00   0.0
assign (resid   33      and    name   HN      )        (resid  33       and     name       HA      )    3.17      1.37   0.0
assign (resid   27      and    name   HN      )        (resid  27       and     name       HA#     )    3.60      1.60   0.0
assign (resid   37      and    name   HN      )        (resid  37       and     name       HA      )    2.84      1.04   0.0
assign (resid   28      and    name   HN      )        (resid  28       and     name       HA      )    3.87      2.07   0.0
assign (resid   16      and    name   HN      )        (resid  16       and     name       HA      )    4.50      2.70   0.0
assign (resid   38      and    name   HN      )        (resid  38       and     name       HA1     )    2.80      1.00   0.0
assign (resid   38      and    name   HN      )        (resid  38       and     name       HA2     )    2.76      0.96   0.0
assign (resid   39      and    name   HN      )        (resid  39       and     name       HA      )    3.17      1.37   0.0
assign (resid   12      and    name   HN      )        (resid  12       and     name       HA      )    3.47      1.67   0.0
assign (resid   19      and    name   HN      )        (resid  19       and     name       HA2     )    3.02      1.22   0.0
assign (resid   19      and    name   HN      )        (resid  19       and     name       HA1     )    3.13      1.33   0.0
assign (resid   35      and    name   HN      )        (resid  35       and     name       HA      )    3.17      1.37   0.0
assign (resid   34      and    name   HN      )        (resid  34       and     name       HA      )    2.76      0.96   0.0
assign (resid   45      and    name   HN      )        (resid  45       and     name       HA      )    4.06      2.26   0.0
assign (resid    8      and    name   HN      )        (resid   8       and     name       HA      )    3.47      1.67   0.0
assign (resid   23      and    name   HN      )        (resid  23       and     name       HA      )    2.80      1.00   0.0
assign (resid    5      and    name   HN      )        (resid   5       and     name       HA      )    5.17      3.37   0.0
assign (resid   24      and    name   HN      )        (resid  24       and     name       HA      )    2.80      1.00   0.0

             
!HN(i)-HB(i) 
assign (resid   35      and    name   HN      )        (resid  35       and     name       HB1     )    3.69      1.89   0.0
assign (resid   35      and    name   HN      )        (resid  35       and     name       HB2     )    3.24      1.44   0.0
assign (resid   21      and    name   HN      )        (resid  21       and     name       HB      )    3.06      1.26   0.0
assign (resid   20      and    name   HN      )        (resid  20       and     name       HB1     )    4.06      2.26   0.0
assign (resid   20      and    name   HN      )        (resid  20       and     name       HB2     )    3.54      1.74   0.0
assign (resid   22      and    name   HN      )        (resid  22       and     name       HB1     )    3.13      1.33   0.0
assign (resid   22      and    name   HN      )        (resid  22       and     name       HB2     )    3.13      1.33   0.0
assign (resid    2      and    name   HN      )        (resid   2       and     name       HB#     )    4.64      2.84   0.0
assign (resid   43      and    name   HN      )        (resid  43       and     name       HB1     )    2.76      0.96   0.0
assign (resid   43      and    name   HN      )        (resid  43       and     name       HB2     )    2.73      0.93   0.0
assign (resid   25      and    name   HN      )        (resid  25       and     name       HB#     )    4.90      3.10   0.0
assign (resid   25      and    name   HN      )        (resid  25       and     name       HB#     )    4.90      3.10   0.0
assign (resid   13      and    name   HN      )        (resid  13       and     name       HB2     )    3.20      1.40   0.0
assign (resid   13      and    name   HN      )        (resid  13       and     name       HB1     )    3.00      1.20   0.0
assign (resid   25      and    name   HN      )        (resid  25       and     name       HB#     )    4.90      3.10   0.0
assign (resid    4      and    name   HN      )        (resid   4       and     name       HB1     )    3.69      1.89   0.0
assign (resid    4      and    name   HN      )        (resid   4       and     name       HB2     )    3.84      2.04   0.0
assign (resid   42      and    name   HN      )        (resid  42       and     name       HB1     )    3.28      1.48   0.0
assign (resid   42      and    name   HN      )        (resid  42       and     name       HB2     )    3.47      1.67   0.0
assign (resid    5      and    name   HN      )        (resid   5       and     name       HB2     )    3.72      1.92   0.0
assign (resid    5      and    name   HN      )        (resid   5       and     name       HB1     )    3.58      1.78   0.0
assign (resid   10      and    name   HN      )        (resid  10       and     name       HB2     )    3.32      1.52   0.0
assign (resid   10      and    name   HN      )        (resid  10       and     name       HB1     )    3.24      1.44   0.0
assign (resid   40      and    name   HN      )        (resid  40       and     name       HB#     )    3.86      2.06   0.0
assign (resid   41      and    name   HN      )        (resid  41       and     name       HB2     )    3.50      1.70   0.0
assign (resid   41      and    name   HN      )        (resid  41       and     name       HB1     )    3.21      1.41   0.0
assign (resid   31      and    name   HN      )        (resid  31       and     name       HB1     )    3.35      1.55   0.0
assign (resid   31      and    name   HN      )        (resid  31       and     name       HB2     )    3.21      1.41   0.0
assign (resid   33      and    name   HN      )        (resid  33       and     name       HB#     )    4.08      2.28   0.0
assign (resid   37      and    name   HN      )        (resid  37       and     name       HB1     )    3.80      2.00   0.0
assign (resid   37      and    name   HN      )        (resid  37       and     name       HB2     )    3.17      1.37   0.0
assign (resid   28      and    name   HN      )        (resid  28       and     name       HB#     )    4.75      2.95   0.0
assign (resid   16      and    name   HN      )        (resid  16       and     name       HB2     )    3.47      1.67   0.0
assign (resid   16      and    name   HN      )        (resid  16       and     name       HB1     )    3.54      1.74   0.0
assign (resid   39      and    name   HN      )        (resid  39       and     name       HB2     )    3.50      1.70   0.0
assign (resid   39      and    name   HN      )        (resid  39       and     name       HB1     )    3.13      1.33   0.0
assign (resid   12      and    name   HN      )        (resid  12       and     name       HB      )    3.28      1.48   0.0
assign (resid    8      and    name   HN      )        (resid   8       and     name       HB1     )    3.17      1.37   0.0
assign (resid    8      and    name   HN      )        (resid   8       and     name       HB2     )    3.80      2.00   0.0
assign (resid   45      and    name   HN      )        (resid  45       and     name       HB1     )    4.06      2.26   0.0
assign (resid   23      and    name   HN      )        (resid  23       and     name       HB1     )    2.95      1.15   0.0
assign (resid   23      and    name   HN      )        (resid  23       and     name       HB2     )    2.98      1.18   0.0
assign (resid   45      and    name   HN      )        (resid  45       and     name       HB2     )    5.06      3.26   0.0
assign (resid   24      and    name   HN      )        (resid  24       and     name       HB1     )    2.76      0.96   0.0
assign (resid   24      and    name   HN      )        (resid  24       and     name       HB2     )    2.73      0.93   0.0
assign (resid   34      and    name   HN      )        (resid  34       and     name       HB#     )    5.16      3.36   0.0
assign (resid   36      and    name   HN      )        (resid  36       and     name       HB#     )    4.97      3.17   0.0
assign (resid    3      and    name   HN      )        (resid   3       and     name       HB#     )    5.57      3.77   0.0
assign (resid   14      and    name   HN      )        (resid  14       and     name       HB#     )    4.42      2.62   0.0
assign (resid   30      and    name   HN      )        (resid  30       and     name       HB#     )    4.42      2.62   0.0

!HN(i)-HG(i)
assign (resid   24      and    name   HN      )        (resid  24       and     name       HG#     )    5.49      3.69   0.0
assign (resid   35      and    name   HN      )        (resid  35       and     name       HG#     )    6.38      4.58   0.0
assign (resid   23      and    name   HN      )        (resid  23       and     name       HG#     )    5.93      4.13   0.0
assign (resid   45      and    name   HN      )        (resid  45       and     name       HG#     )    6.38      4.58   0.0
assign (resid   22      and    name   HN      )        (resid  22       and     name       HG#     )    6.38      4.58   0.0
assign (resid   43      and    name   HN      )        (resid  43       and     name       HG#     )    5.49      3.69   0.0
assign (resid   13      and    name   HN      )        (resid  13       and     name       HG#     )    5.49      3.69   0.0
assign (resid    4      and    name   HN      )        (resid   4       and     name       HG#     )    6.38      4.58   0.0
assign (resid   42      and    name   HN      )        (resid  42       and     name       HG#     )    6.38      4.58   0.0
assign (resid   10      and    name   HN      )        (resid  10       and     name       HG#     )    6.38      4.58   0.0
assign (resid   41      and    name   HN      )        (resid  41       and     name       HG#     )    4.67      2.87   0.0
assign (resid   31      and    name   HN      )        (resid  31       and     name       HG#     )    6.38      4.58   0.0
assign (resid   37      and    name   HN      )        (resid  37       and     name       HG#     )    6.38      4.58   0.0
assign (resid   21      and    name   HN      )        (resid  21       and     name       HG*     )    7.07      5.27   0.0
assign (resid   12      and    name   HN      )        (resid  12       and     name       HG*     )    7.29      5.49   0.0

!HN(i)-HD/E(i) 
assign (resid    4      and    name   HN      )        (resid   4       and     name       HD#     )    6.38      4.58   0.0
assign (resid   42      and    name   HN      )        (resid  42       and     name       HD#     )    6.38      4.58   0.0
assign (resid    2      and    name   HN      )        (resid   2       and     name       HD#     )    7.63      5.83   0.0
assign (resid   40      and    name   HN      )        (resid  40       and     name       HD22    )    3.98      2.18   0.0
assign (resid   40      and    name   HN      )        (resid  40       and     name       HD21    )    4.87      3.07   0.0

!HA(i)-HB(i)
assign (resid   40      and    name   HA      )        (resid  40       and     name       HB#     )    4.23      2.43   0.0
assign (resid   42      and    name   HA      )        (resid  42       and     name       HB2     )    3.35      1.55   0.0
assign (resid   42      and    name   HA      )        (resid  42       and     name       HB1     )    3.50      1.70   0.0
assign (resid   41      and    name   HA      )        (resid  41       and     name       HB1     )    3.50      1.70   0.0
assign (resid   41      and    name   HA      )        (resid  41       and     name       HB2     )    3.35      1.55   0.0
assign (resid    8      and    name   HA      )        (resid   8       and     name       HB1     )    4.06      2.26   0.0
assign (resid    8      and    name   HA      )        (resid   8       and     name       HB2     )    3.91      2.11   0.0
assign (resid    6      and    name   HB2     )        (resid   6       and     name       HA      )    3.28      1.48   0.0
assign (resid   17      and    name   HB1     )        (resid  17       and     name       HA      )    3.28      1.48   0.0
assign (resid   37      and    name   HA      )        (resid  37       and     name       HB1     )    3.24      1.44   0.0
assign (resid   37      and    name   HA      )        (resid  37       and     name       HB2     )    2.87      1.07   0.0
assign (resid   13      and    name   HA      )        (resid  13       and     name       HB2     )    2.87      1.07   0.0
assign (resid   12      and    name   HA      )        (resid  12       and     name       HB      )    3.10      1.30   0.0
assign (resid   45      and    name   HA      )        (resid  45       and     name       HB2     )    4.98      3.18   0.0
assign (resid   39      and    name   HA      )        (resid  39       and     name       HB2     )    4.17      2.37   0.0
assign (resid   39      and    name   HA      )        (resid  39       and     name       HB1     )    4.61      2.81   0.0
assign (resid   20      and    name   HA      )        (resid  20       and     name       HB1     )    3.35      1.55   0.0
assign (resid   20      and    name   HA      )        (resid  20       and     name       HB2     )    3.47      1.67   0.0
assign (resid   16      and    name   HB1     )        (resid  20       and     name       HA      )    3.58      1.78   0.0
assign (resid   33      and    name   HA      )        (resid  33       and     name       HB#     )    4.08      2.28   0.0
assign (resid   28      and    name   HA      )        (resid  28       and     name       HB#     )    4.12      2.32   0.0
assign (resid   16      and    name   HA      )        (resid  16       and     name       HB2     )    4.39      2.59   0.0
assign (resid   16      and    name   HA      )        (resid  16       and     name       HB2     )    5.24      3.44   0.0
assign (resid    5      and    name   HA      )        (resid   5       and     name       HB1     )    5.28      3.48   0.0
assign (resid   16      and    name   HA      )        (resid  16       and     name       HB1     )    5.13      3.33   0.0
assign (resid   25      and    name   HA      )        (resid  25       and     name       HB#     )    4.56      2.76   0.0
assign (resid   45      and    name   HA      )        (resid  45       and     name       HB1     )    4.65      2.85   0.0
assign (resid   34      and    name   HB#     )        (resid  34       and     name       HA      )    5.94      4.14   0.0
assign (resid   14      and    name   HB#     )        (resid  14       and     name       HA      )    5.20      3.40   0.0
assign (resid   30      and    name   HB#     )        (resid  30       and     name       HA      )    4.79      2.99   0.0
assign (resid   36      and    name   HB#     )        (resid  36       and     name       HA      )    5.38      3.58   0.0
assign (resid    1      and    name   HB#     )        (resid   1       and     name       HA      )    6.53      4.73   0.0
assign (resid   40      and    name   HA      )        (resid  40       and     name       HB#     )    4.23      2.43   0.0
assign (resid   42      and    name   HA      )        (resid  42       and     name       HB2     )    3.35      1.55   0.0
assign (resid   42      and    name   HA      )        (resid  42       and     name       HB1     )    3.50      1.70   0.0
assign (resid   41      and    name   HA      )        (resid  41       and     name       HB1     )    3.50      1.70   0.0
assign (resid   41      and    name   HA      )        (resid  41       and     name       HB2     )    3.35      1.55   0.0
assign (resid    8      and    name   HA      )        (resid   8       and     name       HB1     )    4.06      2.26   0.0
assign (resid    8      and    name   HA      )        (resid   8       and     name       HB2     )    3.91      2.11   0.0
assign (resid    6      and    name   HB2     )        (resid   6       and     name       HA      )    3.28      1.48   0.0
assign (resid   17      and    name   HB1     )        (resid  17       and     name       HA      )    3.28      1.48   0.0
assign (resid   37      and    name   HA      )        (resid  37       and     name       HB1     )    3.24      1.44   0.0
assign (resid   37      and    name   HA      )        (resid  37       and     name       HB2     )    2.87      1.07   0.0
assign (resid   13      and    name   HA      )        (resid  13       and     name       HB2     )    2.87      1.07   0.0
assign (resid   12      and    name   HA      )        (resid  12       and     name       HB      )    3.10      1.30   0.0
assign (resid   45      and    name   HA      )        (resid  45       and     name       HB2     )    4.98      3.18   0.0
assign (resid   39      and    name   HA      )        (resid  39       and     name       HB2     )    4.17      2.37   0.0
assign (resid   39      and    name   HA      )        (resid  39       and     name       HB1     )    4.61      2.81   0.0
assign (resid   20      and    name   HA      )        (resid  20       and     name       HB1     )    3.35      1.55   0.0
assign (resid   20      and    name   HA      )        (resid  20       and     name       HB2     )    3.47      1.67   0.0
assign (resid   33      and    name   HA      )        (resid  33       and     name       HB#     )    4.08      2.28   0.0
assign (resid   28      and    name   HA      )        (resid  28       and     name       HB#     )    4.12      2.32   0.0
assign (resid   16      and    name   HA      )        (resid  16       and     name       HB2     )    4.39      2.59   0.0
assign (resid   16      and    name   HA      )        (resid  16       and     name       HB2     )    5.24      3.44   0.0
assign (resid    5      and    name   HA      )        (resid   5       and     name       HB1     )    5.28      3.48   0.0
assign (resid   16      and    name   HA      )        (resid  16       and     name       HB1     )    5.13      3.33   0.0
assign (resid   25      and    name   HA      )        (resid  25       and     name       HB#     )    4.56      2.76   0.0
assign (resid   45      and    name   HA      )        (resid  45       and     name       HB1     )    4.65      2.85   0.0

!HA(i)-HG(i)
assign (resid    6      and    name   HG#     )        (resid   6       and     name       HA      )    6.38      4.58   0.0
assign (resid   37      and    name   HA      )        (resid  37       and     name       HG#     )    5.41      3.61   0.0
assign (resid   13      and    name   HA      )        (resid  13       and     name       HG#     )    5.41      3.61   0.0
assign (resid   12      and    name   HA      )        (resid  12       and     name       HG*     )    6.81      5.01   0.0
assign (resid    6      and    name   HG#     )        (resid   6       and     name       HA      )    6.38      4.58   0.0
assign (resid   37      and    name   HA      )        (resid  37       and     name       HG#     )    5.41      3.61   0.0
assign (resid   13      and    name   HA      )        (resid  13       and     name       HG#     )    5.41      3.61   0.0
assign (resid   12      and    name   HA      )        (resid  13       and     name       HG#     )    6.38      4.58   0.0
assign (resid   12      and    name   HA      )        (resid  12       and     name       HG*     )    6.81      5.01   0.0

!HA(i)-HD(i) 
assign (resid    6      and    name   HD2     )        (resid   6       and     name       HA      )    5.50      3.7    0.0
assign (resid   41      and    name   HA      )        (resid  41       and     name       HD#     )    6.27      4.47   0.0
assign (resid   10      and    name   HA      )        (resid  10       and     name       HE*     )    6.37      4.57   0.0
assign (resid   41      and    name   HA      )        (resid  41       and     name       HE      )    5.50      3.7    0.0
assign (resid   42      and    name   HA      )        (resid  42       and     name       HE      )    5.50      3.7    0.0
assign (resid   17      and    name   HD1     )        (resid  17       and     name       HA      )    4.76      2.96   0.0
assign (resid   40      and    name   HA      )        (resid  40       and     name       HD21    )    4.39      2.59   0.0
assign (resid   40      and    name   HA      )        (resid  40       and     name       HD22    )    4.50      2.70   0.0
assign (resid    6      and    name   HD2     )        (resid   6       and     name       HA      )    5.50      3.70   0.0
assign (resid   41      and    name   HA      )        (resid  41       and     name       HD#     )    6.27      4.47   0.0
assign (resid   17      and    name   HD1     )        (resid  17       and     name       HA      )    4.76      2.96   0.0
assign (resid   40      and    name   HA      )        (resid  40       and     name       HD21    )    4.39      2.59   0.0
assign (resid   40      and    name   HA      )        (resid  40       and     name       HD22    )    4.50      2.70   0.0
             

!others 
assign (resid    6      and    name   HD2     )        (resid   6       and     name       HD1     )    2.95       1.15  0.0
assign (resid   19      and    name   HA2     )        (resid  19       and     name       HA1     )    3.50       1.70  0.0
assign (resid   38      and    name   HA2     )        (resid  38       and     name       HA1     )    2.54       0.74  0.0
assign (resid   18      and    name   HA2     )        (resid  18       and     name       HA1     )    2.54       0.74  0.0
assign (resid   41      and    name   HB2     )        (resid  41       and     name       HE      )    5.50       3.74  0.0
assign (resid   41      and    name   HB1     )        (resid  41       and     name       HE      )    5.50       3.74  0.0
assign (resid   42      and    name   HB1     )        (resid  42       and     name       HE      )    5.50       3.74  0.0
assign (resid   42      and    name   HB2     )        (resid  42       and     name       HE      )    5.50       3.74  0.0
assign (resid    6      and    name   HB2     )        (resid   6       and     name       HD1     )    5.50       3.74  0.0
assign (resid   17      and    name   HB1     )        (resid  17       and     name       HD1     )    5.50       3.74  0.0
assign (resid   17      and    name   HB2     )        (resid  17       and     name       HD1     )    5.32       3.52  0.0
assign (resid    6      and    name   HB2     )        (resid   6       and     name       HD2     )    5.02       3.22  0.0
assign (resid    6      and    name   HB1     )        (resid   6       and     name       HD2     )    4.35       2.55  0.0
assign (resid   17      and    name   HB1     )        (resid  17       and     name       HD2     )    5.50       3.74  0.0
assign (resid   17      and    name   HB2     )        (resid  17       and     name       HD2     )    5.02       3.22  0.0
assign (resid   20      and    name   HB1     )        (resid  20       and     name       HB2     )    3.28       1.48  0.0
assign (resid   16      and    name   HB1     )        (resid  16       and     name       HB2     )    2.80       1.00  0.0
assign (resid   41      and    name   HB2     )        (resid  41       and     name       HD#     )    6.12       4.32  0.0
assign (resid   41      and    name   HB1     )        (resid  41       and     name       HD#     )    6.27       4.47  0.0
assign (resid   29      and    name   HB#     )        (resid  29       and     name       HD#     )    7.25       5.45  0.0
assign (resid   35      and    name   HB1     )        (resid  35       and     name       HG#     )    5.60       3.80  0.0
assign (resid   35      and    name   HB2     )        (resid  35       and     name       HG#     )    3.75       1.95  0.0
assign (resid   31      and    name   HB1     )        (resid  31       and     name       HG#     )    4.08       2.28  0.0
assign (resid   10      and    name   HB1     )        (resid  10       and     name       HG#     )    5.45       3.65  0.0
assign (resid   10      and    name   HB2     )        (resid  10       and     name       HG#     )    5.12       3.32  0.0
assign (resid   37      and    name   HB2     )        (resid  37       and     name       HB1     )    2.35       0.55  0.0
assign (resid   41      and    name   HB2     )        (resid  41       and     name       HG#     )    3.97       2.17  0.0
assign (resid   41      and    name   HB1     )        (resid  41       and     name       HB2     )    2.13       0.33  0.0
assign (resid   41      and    name   HB1     )        (resid  41       and     name       HG#     )    3.86       2.06  0.0
assign (resid   21      and    name   HG*     )        (resid  21       and     name       HB      )    5.37       3.57  0.0
assign (resid   12      and    name   HB      )        (resid  12       and     name       HG*     )    5.48       3.68  0.0
assign (resid   40      and    name   HB#     )        (resid  40       and     name       HD22    )    4.05       2.25  0.0
assign (resid   40      and    name   HB#     )        (resid  40       and     name       HD21    )    6.38       4.58  0.0
assign (resid   41      and    name   HG#     )        (resid  41       and     name       HE      )    6.38       4.58  0.0
assign (resid   42      and    name   HG#     )        (resid  42       and     name       HE      )    6.38       4.58  0.0
assign (resid   10      and    name   HG#     )        (resid  10       and     name       HE*     )    7.24       5.44  0.0
assign (resid    6      and    name   HG#     )        (resid   6       and     name       HD1     )    5.41       3.61  0.0
assign (resid   17      and    name   HG#     )        (resid  17       and     name       HD1     )    5.67       3.87  0.0
assign (resid    6      and    name   HG#     )        (resid   6       and     name       HD2     )    4.82       3.02  0.0
assign (resid   17      and    name   HG#     )        (resid  17       and     name       HD2     )    6.04       4.24  0.0
assign (resid   41      and    name   HG#     )        (resid  41       and     name       HD#     )    6.51       4.71  0.0
assign (resid   29      and    name   HG#     )        (resid  29       and     name       HD#     )    7.25       5.45  0.0
assign (resid   35      and    name   HB1     )        (resid  35       and     name       HG#     )    5.60       3.80  0.0
assign (resid   35      and    name   HB2     )        (resid  35       and     name       HG#     )    3.75       1.95  0.0
assign (resid   31      and    name   HB1     )        (resid  31       and     name       HG#     )    4.08       2.28  0.0
assign (resid   10      and    name   HB1     )        (resid  10       and     name       HG#     )    5.45       3.65  0.0
assign (resid   10      and    name   HB2     )        (resid  10       and     name       HG#     )    5.12       3.32  0.0
assign (resid   41      and    name   HB2     )        (resid  41       and     name       HG#     )    3.97       2.17  0.0
assign (resid   41      and    name   HB1     )        (resid  41       and     name       HG#     )    3.86       2.06  0.0
assign (resid   41      and    name   HD#     )        (resid  41       and     name       HE      )    6.38       4.58  0.0
assign (resid   42      and    name   HD#     )        (resid  42       and     name       HE      )    6.34       4.54  0.0
assign (resid    6      and    name   HB2     )        (resid   6       and     name       HD1     )    5.50       3.70  0.0
assign (resid    6      and    name   HG#     )        (resid   6       and     name       HD1     )    5.41       3.61  0.0
assign (resid   17      and    name   HB1     )        (resid  17       and     name       HD1     )    5.50       3.70  0.0
assign (resid   17      and    name   HB2     )        (resid  17       and     name       HD1     )    5.32       3.52  0.0
assign (resid   17      and    name   HG#     )        (resid  17       and     name       HD1     )    5.67       3.87  0.0
assign (resid    6      and    name   HB2     )        (resid   6       and     name       HD2     )    5.02       3.22  0.0
assign (resid    6      and    name   HB1     )        (resid   6       and     name       HD2     )    4.35       2.55  0.0
assign (resid    6      and    name   HG#     )        (resid   6       and     name       HD2     )    4.82       3.02  0.0
assign (resid   17      and    name   HB1     )        (resid  17       and     name       HD2     )    5.50       3.70  0.0
assign (resid   17      and    name   HB2     )        (resid  17       and     name       HD2     )    5.02       3.22  0.0
assign (resid   17      and    name   HG#     )        (resid  17       and     name       HD2     )    6.04       4.24  0.0
assign (resid   17      and    name   HD2     )        (resid  17       and     name       HD1     )    2.80       1.00  0.0
assign (resid   41      and    name   HB2     )        (resid  41       and     name       HD#     )    6.12       4.32  0.0
assign (resid   41      and    name   HB1     )        (resid  41       and     name       HD#     )    6.27       4.47  0.0
assign (resid   41      and    name   HG#     )        (resid  41       and     name       HD#     )    6.51       4.71  0.0
assign (resid   29      and    name   HB#     )        (resid  29       and     name       HD#     )    7.25       5.45  0.0
assign (resid   29      and    name   HG#     )        (resid  29       and     name       HD#     )    7.25       5.45  0.0
assign (resid   40      and    name   HB#     )        (resid  40       and     name       HD22    )    4.05       2.25  0.0
assign (resid   40      and    name   HB#     )        (resid  40       and     name       HD21    )    6.38       4.58  0.0
assign (resid   21      and    name   HG*     )        (resid  21       and     name       HB      )    5.37       3.57  0.0
assign (resid   12      and    name   HB      )        (resid  12       and     name       HG*     )    5.48       3.68  0.0



              






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1HT       ALA   1  37.840  47.537  -6.843
    2   2H    ALA   1          2HT       ALA   1  37.994  49.000  -7.689
    3   3H    ALA   1          3HT       ALA   1  38.608  47.560  -8.355
    4    HA   ALA   1           HA       ALA   1  35.718  48.108  -7.844
    5   1HB   ALA   1          1HB       ALA   1  35.764  48.191 -10.405
    6   2HB   ALA   1          2HB       ALA   1  37.523  48.244 -10.287
    7   3HB   ALA   1          3HB       ALA   1  36.551  49.541  -9.593
    8    H    LEU   2           H        LEU   2  34.615  46.486  -9.650
    9    HA   LEU   2           HA       LEU   2  35.908  43.817  -9.360
   10   1HB   LEU   2          2HB       LEU   2  33.170  44.795  -8.613
   11   2HB   LEU   2          1HB       LEU   2  33.362  43.118  -9.115
   12    HG   LEU   2           HG       LEU   2  35.065  44.393  -6.958
   13   1HD1  LEU   2          1HD1      LEU   2  32.466  42.857  -6.764
   14   2HD1  LEU   2          2HD1      LEU   2  32.818  44.460  -6.121
   15   3HD1  LEU   2          3HD1      LEU   2  33.574  43.038  -5.405
   16   1HD2  LEU   2          1HD2      LEU   2  34.591  41.580  -7.964
   17   2HD2  LEU   2          2HD2      LEU   2  35.268  41.888  -6.365
   18   3HD2  LEU   2          3HD2      LEU   2  36.123  42.437  -7.805
   19    H    ALA   3           H        ALA   3  36.309  43.128 -11.438
   20    HA   ALA   3           HA       ALA   3  34.590  44.045 -13.652
   21   1HB   ALA   3          1HB       ALA   3  37.085  42.322 -13.683
   22   2HB   ALA   3          2HB       ALA   3  37.119  44.088 -13.664
   23   3HB   ALA   3          3HB       ALA   3  36.404  43.234 -15.031
   24    H    ARG   4           H        ARG   4  33.117  42.342 -12.055
   25    HA   ARG   4           HA       ARG   4  32.539  40.127 -13.852
   26   1HB   ARG   4          2HB       ARG   4  34.552  39.607 -12.174
   27   2HB   ARG   4          1HB       ARG   4  33.223  39.286 -11.059
   28   1HG   ARG   4          2HG       ARG   4  32.305  37.596 -12.501
   29   2HG   ARG   4          1HG       ARG   4  33.381  38.053 -13.823
   30   1HD   ARG   4          2HD       ARG   4  34.365  36.085 -12.851
   31   2HD   ARG   4          1HD       ARG   4  35.323  37.443 -12.234
   32    HE   ARG   4           HE       ARG   4  34.233  37.234 -10.101
   33   1HH1  ARG   4          1HH2      ARG   4  33.010  34.988 -12.472
   34   2HH1  ARG   4          2HH2      ARG   4  32.212  34.004 -11.297
   35   1HH2  ARG   4          1HH1      ARG   4  33.180  35.944  -8.589
   36   2HH2  ARG   4          2HH1      ARG   4  32.304  34.546  -9.106
   37    H    CYS   5           H        CYS   5  30.367  39.624 -13.657
   38    HA   CYS   5           HA       CYS   5  28.798  41.053 -11.601
   39   1HB   CYS   5          2HB       CYS   5  27.811  41.193 -13.704
   40   2HB   CYS   5          1HB       CYS   5  28.318  39.571 -14.164
   41    HA   PRO   6           HA       PRO   6  28.817  37.230  -9.254
   42   1HB   PRO   6          2HB       PRO   6  27.860  38.321  -6.932
   43   2HB   PRO   6          1HB       PRO   6  29.551  38.467  -7.444
   44   1HG   PRO   6          2HG       PRO   6  27.393  40.459  -7.476
   45   2HG   PRO   6          1HG       PRO   6  29.143  40.678  -7.346
   46   1HD   PRO   6          2HD       PRO   6  27.580  41.066  -9.649
   47   2HD   PRO   6          1HD       PRO   6  29.353  40.998  -9.563
   48    H    GLY   7           H        GLY   7  27.109  35.788  -8.576
   49   1HA   GLY   7          2HA       GLY   7  24.853  35.137  -8.107
   50   2HA   GLY   7          1HA       GLY   7  24.331  36.772  -8.504
   51    H    CYS   8           H        CYS   8  25.360  37.094 -11.080
   52    HA   CYS   8           HA       CYS   8  23.490  35.446 -12.616
   53   1HB   CYS   8          2HB       CYS   8  24.107  36.946 -14.416
   54   2HB   CYS   8          1HB       CYS   8  23.983  37.905 -12.943
   55    H    GLY   9           H        GLY   9  24.627  34.802 -14.954
   56   1HA   GLY   9          2HA       GLY   9  26.896  33.853 -15.716
   57   2HA   GLY   9          1HA       GLY   9  26.849  32.942 -14.203
   58    H    GLN  10           H        GLN  10  25.990  30.913 -14.365
   59    HA   GLN  10           HA       GLN  10  23.643  30.368 -15.990
   60   1HB   GLN  10          2HB       GLN  10  25.445  30.470 -17.685
   61   2HB   GLN  10          1HB       GLN  10  26.342  29.232 -16.805
   62   1HG   GLN  10          2HG       GLN  10  25.204  28.045 -18.519
   63   2HG   GLN  10          1HG       GLN  10  24.235  27.766 -17.072
   64   1HE2  GLN  10          1HE2      GLN  10  22.188  29.040 -16.867
   65   2HE2  GLN  10          2HE2      GLN  10  21.466  29.705 -18.250
   66    H    GLY  11           H        GLY  11  26.382  28.215 -15.157
   67   1HA   GLY  11          2HA       GLY  11  24.796  26.138 -14.093
   68   2HA   GLY  11          1HA       GLY  11  26.497  26.376 -13.711
   69    H    VAL  12           H        VAL  12  25.849  29.118 -12.553
   70    HA   VAL  12           HA       VAL  12  25.160  28.137  -9.850
   71    HB   VAL  12           HB       VAL  12  25.934  30.901 -10.854
   72   1HG1  VAL  12          1HG1      VAL  12  26.462  31.396  -8.576
   73   2HG1  VAL  12          2HG1      VAL  12  26.336  29.702  -8.102
   74   3HG1  VAL  12          3HG1      VAL  12  24.885  30.608  -8.527
   75   1HG2  VAL  12          1HG2      VAL  12  27.547  28.463 -10.153
   76   2HG2  VAL  12          2HG2      VAL  12  28.197  30.062  -9.791
   77   3HG2  VAL  12          3HG2      VAL  12  27.796  29.631 -11.452
   78    H    GLN  13           H        GLN  13  24.025  30.784 -11.993
   79    HA   GLN  13           HA       GLN  13  21.727  31.422 -10.403
   80   1HB   GLN  13          2HB       GLN  13  21.039  32.633 -12.543
   81   2HB   GLN  13          1HB       GLN  13  22.627  33.055 -11.905
   82   1HG   GLN  13          2HG       GLN  13  23.538  32.485 -13.887
   83   2HG   GLN  13          1HG       GLN  13  23.002  30.826 -13.634
   84   1HE2  GLN  13          1HE2      GLN  13  21.237  33.895 -14.407
   85   2HE2  GLN  13          2HE2      GLN  13  20.405  33.236 -15.731
   86    H    ALA  14           H        ALA  14  22.155  29.110 -13.063
   87    HA   ALA  14           HA       ALA  14  19.392  28.114 -12.503
   88   1HB   ALA  14          1HB       ALA  14  19.817  29.766 -14.564
   89   2HB   ALA  14          2HB       ALA  14  18.714  28.398 -14.703
   90   3HB   ALA  14          3HB       ALA  14  20.355  28.272 -15.332
   91    H    GLY  15           H        GLY  15  21.588  26.812 -11.504
   92   1HA   GLY  15          2HA       GLY  15  21.558  24.307 -13.065
   93   2HA   GLY  15          1HA       GLY  15  23.144  25.037 -12.817
   94    H    CYS  16           H        CYS  16  23.936  25.232 -10.611
   95    HA   CYS  16           HA       CYS  16  22.672  23.225  -8.766
   96   1HB   CYS  16          2HB       CYS  16  25.504  24.306  -8.884
   97   2HB   CYS  16          1HB       CYS  16  24.938  22.963  -7.888
   98    HA   PRO  17           HA       PRO  17  21.912  27.151  -6.572
   99   1HB   PRO  17          2HB       PRO  17  19.760  26.211  -5.164
  100   2HB   PRO  17          1HB       PRO  17  19.632  26.824  -6.822
  101   1HG   PRO  17          2HG       PRO  17  19.707  24.016  -5.846
  102   2HG   PRO  17          1HG       PRO  17  18.770  24.733  -7.167
  103   1HD   PRO  17          2HD       PRO  17  21.040  23.255  -7.547
  104   2HD   PRO  17          1HD       PRO  17  20.466  24.508  -8.674
  105    H    GLY  18           H        GLY  18  24.088  26.092  -5.651
  106   1HA   GLY  18          2HA       GLY  18  24.801  26.312  -3.218
  107   2HA   GLY  18          1HA       GLY  18  23.551  25.114  -2.865
  108    H    GLY  19           H        GLY  19  23.889  23.244  -4.829
  109   1HA   GLY  19          2HA       GLY  19  26.555  22.500  -5.472
  110   2HA   GLY  19          1HA       GLY  19  26.139  21.744  -3.926
  111    H    CYS  20           H        CYS  20  26.386  20.833  -6.935
  112    HA   CYS  20           HA       CYS  20  23.711  19.598  -7.313
  113   1HB   CYS  20          2HB       CYS  20  26.193  20.079  -8.894
  114   2HB   CYS  20          1HB       CYS  20  25.238  18.666  -9.346
  115    H    VAL  21           H        VAL  21  25.421  18.707  -5.011
  116    HA   VAL  21           HA       VAL  21  25.567  15.816  -5.753
  117    HB   VAL  21           HB       VAL  21  27.684  17.255  -4.125
  118   1HG1  VAL  21          1HG1      VAL  21  27.525  14.557  -5.497
  119   2HG1  VAL  21          2HG1      VAL  21  27.652  14.868  -3.764
  120   3HG1  VAL  21          3HG1      VAL  21  29.013  15.225  -4.828
  121   1HG2  VAL  21          1HG2      VAL  21  27.874  18.271  -6.270
  122   2HG2  VAL  21          2HG2      VAL  21  27.524  16.759  -7.105
  123   3HG2  VAL  21          3HG2      VAL  21  29.067  16.973  -6.276
  124    H    GLU  22           H        GLU  22  23.394  16.665  -4.384
  125    HA   GLU  22           HA       GLU  22  23.878  16.529  -1.479
  126   1HB   GLU  22          2HB       GLU  22  22.129  17.919  -2.964
  127   2HB   GLU  22          1HB       GLU  22  21.150  16.471  -2.715
  128   1HG   GLU  22          2HG       GLU  22  21.091  16.754  -0.388
  129   2HG   GLU  22          1HG       GLU  22  22.535  17.766  -0.376
  130    H    GLU  23           H        GLU  23  24.775  14.203  -2.667
  131    HA   GLU  23           HA       GLU  23  24.597  11.861  -2.572
  132   1HB   GLU  23          2HB       GLU  23  22.728  12.922  -0.470
  133   2HB   GLU  23          1HB       GLU  23  22.747  11.191  -0.793
  134   1HG   GLU  23          2HG       GLU  23  24.986  10.957  -0.142
  135   2HG   GLU  23          1HG       GLU  23  25.335  12.670  -0.381
  136    H    GLU  24           H        GLU  24  22.452  10.124  -2.470
  137    HA   GLU  24           HA       GLU  24  21.305  10.382  -5.095
  138   1HB   GLU  24          2HB       GLU  24  20.852   8.563  -2.723
  139   2HB   GLU  24          1HB       GLU  24  19.995   8.344  -4.247
  140   1HG   GLU  24          2HG       GLU  24  23.015   8.461  -4.018
  141   2HG   GLU  24          1HG       GLU  24  22.100   6.955  -4.044
  142    H    ASP  25           H        ASP  25  20.214  11.426  -1.945
  143    HA   ASP  25           HA       ASP  25  17.736  12.503  -3.175
  144   1HB   ASP  25          2HB       ASP  25  16.905  10.491  -2.286
  145   2HB   ASP  25          1HB       ASP  25  17.990  10.546  -0.900
  146    H    GLY  26           H        GLY  26  19.279  12.243   0.077
  147   1HA   GLY  26          2HA       GLY  26  20.165  14.911   0.275
  148   2HA   GLY  26          1HA       GLY  26  18.498  14.913   0.835
  149    H    GLY  27           H        GLY  27  21.704  13.513   1.437
  150   1HA   GLY  27          2HA       GLY  27  22.669  12.780   3.448
  151   2HA   GLY  27          1HA       GLY  27  21.370  13.617   4.289
  152    H    SER  28           H        SER  28  20.678  11.157   1.899
  153    HA   SER  28           HA       SER  28  19.516   9.452   4.049
  154   1HB   SER  28          2HB       SER  28  18.820   8.578   1.429
  155   2HB   SER  28          1HB       SER  28  17.790   9.414   2.587
  156    HG   SER  28           HG       SER  28  17.836  10.942   1.115
  157    HA   PRO  29           HA       PRO  29  23.228   7.014   3.024
  158   1HB   PRO  29          2HB       PRO  29  23.228   5.587   5.366
  159   2HB   PRO  29          1HB       PRO  29  23.926   7.212   5.218
  160   1HG   PRO  29          2HG       PRO  29  21.299   6.375   6.330
  161   2HG   PRO  29          1HG       PRO  29  22.425   7.616   6.902
  162   1HD   PRO  29          2HD       PRO  29  20.170   8.185   5.491
  163   2HD   PRO  29          1HD       PRO  29  21.629   9.197   5.451
  164    H    ALA  30           H        ALA  30  21.296   6.190   1.506
  165    HA   ALA  30           HA       ALA  30  20.747   3.361   2.268
  166   1HB   ALA  30          1HB       ALA  30  18.747   4.793   2.539
  167   2HB   ALA  30          2HB       ALA  30  18.521   3.660   1.207
  168   3HB   ALA  30          3HB       ALA  30  18.918   5.344   0.871
  169    H    GLU  31           H        GLU  31  22.906   3.417   0.874
  170    HA   GLU  31           HA       GLU  31  22.241   3.398  -2.021
  171   1HB   GLU  31          2HB       GLU  31  23.976   4.986  -1.216
  172   2HB   GLU  31          1HB       GLU  31  24.898   3.628  -0.577
  173   1HG   GLU  31          2HG       GLU  31  24.636   2.730  -3.073
  174   2HG   GLU  31          1HG       GLU  31  24.457   4.450  -3.420
  175    H    GLY  32           H        GLY  32  24.684   1.745  -0.011
  176   1HA   GLY  32          2HA       GLY  32  24.606  -0.640  -1.653
  177   2HA   GLY  32          1HA       GLY  32  25.483  -0.467  -0.133
  178    H    CYS  33           H        CYS  33  23.325   0.179   1.583
  179    HA   CYS  33           HA       CYS  33  21.787  -2.394   1.515
  180   1HB   CYS  33          2HB       CYS  33  23.580  -1.619   3.341
  181   2HB   CYS  33          1HB       CYS  33  22.189  -0.758   3.991
  182    H    ALA  34           H        ALA  34  20.172  -1.185   0.123
  183    HA   ALA  34           HA       ALA  34  18.430   0.603   1.800
  184   1HB   ALA  34          1HB       ALA  34  18.781   0.689  -1.209
  185   2HB   ALA  34          2HB       ALA  34  19.793   1.626  -0.110
  186   3HB   ALA  34          3HB       ALA  34  18.055   1.917  -0.174
  187    H    GLU  35           H        GLU  35  18.445  -1.653  -0.987
  188    HA   GLU  35           HA       GLU  35  15.525  -2.124  -0.636
  189   1HB   GLU  35          2HB       GLU  35  15.693  -3.111  -2.841
  190   2HB   GLU  35          1HB       GLU  35  16.612  -1.611  -2.852
  191   1HG   GLU  35          2HG       GLU  35  18.145  -4.038  -2.088
  192   2HG   GLU  35          1HG       GLU  35  17.609  -3.968  -3.765
  193    H    ALA  36           H        ALA  36  15.061  -4.631  -1.272
  194    HA   ALA  36           HA       ALA  36  16.104  -6.184   0.978
  195   1HB   ALA  36          1HB       ALA  36  13.738  -6.184   0.018
  196   2HB   ALA  36          2HB       ALA  36  14.449  -7.780   0.270
  197   3HB   ALA  36          3HB       ALA  36  14.394  -7.086  -1.350
  198    H    GLU  37           H        GLU  37  16.565  -6.120  -2.539
  199    HA   GLU  37           HA       GLU  37  18.140  -8.569  -2.602
  200   1HB   GLU  37          2HB       GLU  37  16.958  -6.641  -4.400
  201   2HB   GLU  37          1HB       GLU  37  18.618  -6.981  -4.892
  202   1HG   GLU  37          2HG       GLU  37  16.988  -8.540  -5.941
  203   2HG   GLU  37          1HG       GLU  37  18.128  -9.398  -4.904
  204    H    GLY  38           H        GLY  38  18.885  -5.589  -1.284
  205   1HA   GLY  38          2HA       GLY  38  21.655  -5.477  -2.321
  206   2HA   GLY  38          1HA       GLY  38  20.903  -4.294  -1.255
  207    H    CYS  39           H        CYS  39  19.934  -5.993   0.758
  208    HA   CYS  39           HA       CYS  39  22.122  -7.717   1.715
  209   1HB   CYS  39          2HB       CYS  39  22.252  -6.093   3.802
  210   2HB   CYS  39          1HB       CYS  39  23.160  -5.708   2.335
  211    H    LEU  40           H        LEU  40  19.453  -8.462   1.339
  212    HA   LEU  40           HA       LEU  40  17.680  -8.071   3.488
  213   1HB   LEU  40          2HB       LEU  40  16.419  -9.757   2.536
  214   2HB   LEU  40          1HB       LEU  40  17.429  -9.259   1.187
  215    HG   LEU  40           HG       LEU  40  18.203 -11.527   3.032
  216   1HD1  LEU  40          1HD1      LEU  40  17.338 -13.029   1.240
  217   2HD1  LEU  40          2HD1      LEU  40  16.642 -11.623   0.433
  218   3HD1  LEU  40          3HD1      LEU  40  16.059 -12.111   2.027
  219   1HD2  LEU  40          1HD2      LEU  40  18.974 -11.210   0.153
  220   2HD2  LEU  40          2HD2      LEU  40  19.857 -11.979   1.468
  221   3HD2  LEU  40          3HD2      LEU  40  19.797 -10.230   1.352
  222    H    ARG  41           H        ARG  41  20.279 -10.527   3.261
  223    HA   ARG  41           HA       ARG  41  21.125 -11.999   4.909
  224   1HB   ARG  41          2HB       ARG  41  20.864  -9.275   5.859
  225   2HB   ARG  41          1HB       ARG  41  20.688 -10.396   7.209
  226   1HG   ARG  41          2HG       ARG  41  22.937 -10.617   5.197
  227   2HG   ARG  41          1HG       ARG  41  23.080  -9.661   6.669
  228   1HD   ARG  41          2HD       ARG  41  22.311 -12.603   6.675
  229   2HD   ARG  41          1HD       ARG  41  23.975 -12.022   6.882
  230    HE   ARG  41           HE       ARG  41  22.231 -10.583   8.667
  231   1HH1  ARG  41          1HH2      ARG  41  23.713 -13.688   8.159
  232   2HH1  ARG  41          2HH2      ARG  41  23.762 -14.083   9.840
  233   1HH2  ARG  41          1HH1      ARG  41  22.283 -11.113  10.861
  234   2HH2  ARG  41          2HH1      ARG  41  22.951 -12.622  11.369
  235    H    ARG  42           H        ARG  42  20.261 -12.153   7.707
  236    HA   ARG  42           HA       ARG  42  17.765 -13.671   7.315
  237   1HB   ARG  42          2HB       ARG  42  19.971 -14.396   8.542
  238   2HB   ARG  42          1HB       ARG  42  19.327 -13.442   9.879
  239   1HG   ARG  42          2HG       ARG  42  17.493 -14.854  10.186
  240   2HG   ARG  42          1HG       ARG  42  17.558 -15.462   8.531
  241   1HD   ARG  42          2HD       ARG  42  19.443 -16.847   8.997
  242   2HD   ARG  42          1HD       ARG  42  19.753 -16.035  10.544
  243    HE   ARG  42           HE       ARG  42  17.627 -18.018  10.017
  244   1HH1  ARG  42          1HH2      ARG  42  18.803 -15.460  12.064
  245   2HH1  ARG  42          2HH2      ARG  42  18.018 -16.071  13.474
  246   1HH2  ARG  42          1HH1      ARG  42  16.599 -18.795  11.856
  247   2HH2  ARG  42          2HH1      ARG  42  16.754 -17.948  13.358
  248    H    GLU  43           H        GLU  43  19.025 -11.311   9.673
  249    HA   GLU  43           HA       GLU  43  16.243 -10.345  10.108
  250   1HB   GLU  43          2HB       GLU  43  18.601 -10.869  11.866
  251   2HB   GLU  43          1HB       GLU  43  17.555  -9.517  12.303
  252   1HG   GLU  43          2HG       GLU  43  16.024 -10.939  13.140
  253   2HG   GLU  43          1HG       GLU  43  15.910 -11.763  11.584
  254    H    GLY  44           H        GLY  44  15.874  -8.161   9.756
  255   1HA   GLY  44          2HA       GLY  44  18.254  -6.499   9.030
  256   2HA   GLY  44          1HA       GLY  44  16.659  -6.301   8.303
  257    H    GLN  45           HN       GLN  45  14.974  -6.298  10.476
  258    HA   GLN  45           HA       GLN  45  15.760  -3.778  11.856
  259   1HB   GLN  45          2HB       GLN  45  13.148  -5.247  11.422
  260   2HB   GLN  45          1HB       GLN  45  13.274  -3.767  12.370
  261   1HG   GLN  45          2HG       GLN  45  14.194  -2.578  10.402
  262   2HG   GLN  45          1HG       GLN  45  14.060  -4.060   9.449
  263   1HE2  GLN  45          1HE2      GLN  45  11.742  -4.997   9.334
  264   2HE2  GLN  45          2HE2      GLN  45  10.458  -3.890   9.286
  Start of MODEL    2
    1   1H    ALA   1          1HT       ALA   1  -7.251  41.632  32.267
    2   2H    ALA   1          2HT       ALA   1  -7.024  43.225  32.790
    3   3H    ALA   1          3HT       ALA   1  -5.763  42.104  32.951
    4    HA   ALA   1           HA       ALA   1  -6.881  43.041  30.350
    5   1HB   ALA   1          1HB       ALA   1  -4.492  43.818  32.049
    6   2HB   ALA   1          2HB       ALA   1  -5.773  44.867  31.436
    7   3HB   ALA   1          3HB       ALA   1  -4.577  44.190  30.329
    8    H    LEU   2           H        LEU   2  -6.885  40.661  29.809
    9    HA   LEU   2           HA       LEU   2  -4.151  39.740  29.087
   10   1HB   LEU   2          2HB       LEU   2  -4.835  37.457  29.841
   11   2HB   LEU   2          1HB       LEU   2  -4.818  38.629  31.157
   12    HG   LEU   2           HG       LEU   2  -7.409  38.567  29.809
   13   1HD1  LEU   2          1HD1      LEU   2  -8.079  36.329  30.621
   14   2HD1  LEU   2          2HD1      LEU   2  -6.416  36.014  31.116
   15   3HD1  LEU   2          3HD1      LEU   2  -6.805  36.212  29.407
   16   1HD2  LEU   2          1HD2      LEU   2  -6.367  39.151  32.319
   17   2HD2  LEU   2          2HD2      LEU   2  -7.244  37.644  32.584
   18   3HD2  LEU   2          3HD2      LEU   2  -8.082  39.046  31.920
   19    H    ALA   3           H        ALA   3  -6.679  40.861  27.637
   20    HA   ALA   3           HA       ALA   3  -7.636  38.669  25.994
   21   1HB   ALA   3          1HB       ALA   3  -8.910  40.409  24.927
   22   2HB   ALA   3          2HB       ALA   3  -7.772  41.645  25.458
   23   3HB   ALA   3          3HB       ALA   3  -8.819  40.849  26.633
   24    H    ARG   4           H        ARG   4  -5.579  37.816  25.155
   25    HA   ARG   4           HA       ARG   4  -4.509  39.428  22.896
   26   1HB   ARG   4          2HB       ARG   4  -3.214  38.651  25.311
   27   2HB   ARG   4          1HB       ARG   4  -2.521  37.672  24.020
   28   1HG   ARG   4          2HG       ARG   4  -1.180  39.599  23.955
   29   2HG   ARG   4          1HG       ARG   4  -2.388  39.934  22.713
   30   1HD   ARG   4          2HD       ARG   4  -3.699  41.285  24.281
   31   2HD   ARG   4          1HD       ARG   4  -2.572  40.895  25.595
   32    HE   ARG   4           HE       ARG   4  -2.033  42.732  23.346
   33   1HH1  ARG   4          1HH2      ARG   4  -0.737  40.753  25.897
   34   2HH1  ARG   4          2HH2      ARG   4   0.770  41.593  25.959
   35   1HH2  ARG   4          1HH1      ARG   4  -0.077  43.833  23.442
   36   2HH2  ARG   4          2HH1      ARG   4   1.145  43.346  24.568
   37    H    CYS   5           H        CYS   5  -2.838  37.506  21.787
   38    HA   CYS   5           HA       CYS   5  -4.766  35.614  20.662
   39   1HB   CYS   5          2HB       CYS   5  -2.504  36.893  19.785
   40   2HB   CYS   5          1HB       CYS   5  -1.885  35.271  20.082
   41    HA   PRO   6           HA       PRO   6  -3.800  32.533  23.715
   42   1HB   PRO   6          2HB       PRO   6  -5.416  30.569  22.699
   43   2HB   PRO   6          1HB       PRO   6  -6.026  31.947  23.638
   44   1HG   PRO   6          2HG       PRO   6  -6.045  31.512  20.695
   45   2HG   PRO   6          1HG       PRO   6  -7.250  32.290  21.729
   46   1HD   PRO   6          2HD       PRO   6  -5.448  33.654  20.158
   47   2HD   PRO   6          1HD       PRO   6  -6.223  34.318  21.617
   48    H    GLY   7           H        GLY   7  -4.411  30.475  20.901
   49   1HA   GLY   7          2HA       GLY   7  -1.587  29.552  21.122
   50   2HA   GLY   7          1HA       GLY   7  -2.921  28.578  20.503
   51    H    CYS   8           H        CYS   8  -1.606  31.833  19.741
   52    HA   CYS   8           HA       CYS   8  -1.337  30.918  16.895
   53   1HB   CYS   8          2HB       CYS   8  -2.842  32.470  16.175
   54   2HB   CYS   8          1HB       CYS   8  -3.390  32.489  17.850
   55    H    GLY   9           H        GLY   9   0.329  32.021  15.711
   56   1HA   GLY   9          2HA       GLY   9   1.824  34.253  16.603
   57   2HA   GLY   9          1HA       GLY   9   2.621  32.813  17.238
   58    H    GLN  10           H        GLN  10   3.687  34.635  15.207
   59    HA   GLN  10           HA       GLN  10   3.963  32.701  12.959
   60   1HB   GLN  10          2HB       GLN  10   3.813  35.734  12.840
   61   2HB   GLN  10          1HB       GLN  10   4.022  34.669  11.452
   62   1HG   GLN  10          2HG       GLN  10   1.805  34.324  11.312
   63   2HG   GLN  10          1HG       GLN  10   1.737  33.807  12.995
   64   1HE2  GLN  10          1HE2      GLN  10   2.455  36.213  14.327
   65   2HE2  GLN  10          2HE2      GLN  10   1.281  37.393  14.007
   66    H    GLY  11           H        GLY  11   5.864  32.167  14.520
   67   1HA   GLY  11          2HA       GLY  11   8.055  34.096  14.629
   68   2HA   GLY  11          1HA       GLY  11   8.117  32.426  15.192
   69    H    VAL  12           H        VAL  12   7.830  30.821  13.163
   70    HA   VAL  12           HA       VAL  12   9.741  31.784  11.050
   71    HB   VAL  12           HB       VAL  12  10.508  29.377  11.018
   72   1HG1  VAL  12          1HG1      VAL  12  11.962  29.667  12.832
   73   2HG1  VAL  12          2HG1      VAL  12  10.726  30.444  13.823
   74   3HG1  VAL  12          3HG1      VAL  12  11.459  31.321  12.479
   75   1HG2  VAL  12          1HG2      VAL  12   8.360  28.486  12.040
   76   2HG2  VAL  12          2HG2      VAL  12   8.901  29.146  13.583
   77   3HG2  VAL  12          3HG2      VAL  12   9.836  27.881  12.789
   78    H    GLN  13           H        GLN  13   6.829  29.864  11.691
   79    HA   GLN  13           HA       GLN  13   5.167  29.039  10.240
   80   1HB   GLN  13          2HB       GLN  13   5.817  31.616   9.575
   81   2HB   GLN  13          1HB       GLN  13   6.072  30.794   8.038
   82   1HG   GLN  13          2HG       GLN  13   3.848  30.198   7.826
   83   2HG   GLN  13          1HG       GLN  13   3.574  30.186   9.569
   84   1HE2  GLN  13          1HE2      GLN  13   3.758  32.280   6.720
   85   2HE2  GLN  13          2HE2      GLN  13   3.112  33.655   7.472
   86    H    ALA  14           H        ALA  14   7.384  27.397  10.270
   87    HA   ALA  14           HA       ALA  14   8.040  26.822   7.409
   88   1HB   ALA  14          1HB       ALA  14   9.250  25.936  10.051
   89   2HB   ALA  14          2HB       ALA  14   9.923  27.123   8.933
   90   3HB   ALA  14          3HB       ALA  14   9.839  25.423   8.470
   91    H    GLY  15           H        GLY  15   7.384  24.902  10.388
   92   1HA   GLY  15          2HA       GLY  15   5.417  23.281   8.905
   93   2HA   GLY  15          1HA       GLY  15   6.855  22.421   9.452
   94    H    CYS  16           H        CYS  16   7.258  22.340  11.785
   95    HA   CYS  16           HA       CYS  16   4.743  22.161  13.320
   96   1HB   CYS  16          2HB       CYS  16   7.417  21.751  14.574
   97   2HB   CYS  16          1HB       CYS  16   5.950  20.794  14.728
   98    HA   PRO  17           HA       PRO  17   5.405  26.181  15.122
   99   1HB   PRO  17          2HB       PRO  17   3.535  26.005  17.124
  100   2HB   PRO  17          1HB       PRO  17   3.101  26.303  15.427
  101   1HG   PRO  17          2HG       PRO  17   2.972  23.770  16.996
  102   2HG   PRO  17          1HG       PRO  17   1.865  24.388  15.761
  103   1HD   PRO  17          2HD       PRO  17   3.730  22.439  15.295
  104   2HD   PRO  17          1HD       PRO  17   3.104  23.529  14.035
  105    H    GLY  18           H        GLY  18   7.546  25.075  15.790
  106   1HA   GLY  18          2HA       GLY  18   9.091  25.189  17.622
  107   2HA   GLY  18          1HA       GLY  18   7.733  25.127  18.750
  108    H    GLY  19           H        GLY  19   6.387  22.873  17.973
  109   1HA   GLY  19          2HA       GLY  19   8.103  20.751  18.979
  110   2HA   GLY  19          1HA       GLY  19   6.425  20.578  18.463
  111    H    CYS  20           H        CYS  20   9.651  21.170  17.006
  112    HA   CYS  20           HA       CYS  20   8.877  19.249  14.827
  113   1HB   CYS  20          2HB       CYS  20   9.201  21.969  14.584
  114   2HB   CYS  20          1HB       CYS  20  10.814  21.384  14.180
  115    H    VAL  21           H        VAL  21  10.015  17.816  16.473
  116    HA   VAL  21           HA       VAL  21  12.989  17.928  16.076
  117    HB   VAL  21           HB       VAL  21  12.226  18.582  18.348
  118   1HG1  VAL  21          1HG1      VAL  21  11.479  16.031  19.380
  119   2HG1  VAL  21          2HG1      VAL  21  10.460  16.349  17.977
  120   3HG1  VAL  21          3HG1      VAL  21  10.506  17.498  19.313
  121   1HG2  VAL  21          1HG2      VAL  21  13.477  15.843  18.508
  122   2HG2  VAL  21          2HG2      VAL  21  13.785  17.246  19.529
  123   3HG2  VAL  21          3HG2      VAL  21  14.366  17.223  17.863
  124    H    GLU  22           H        GLU  22  10.112  15.939  15.931
  125    HA   GLU  22           HA       GLU  22  11.524  13.395  15.933
  126   1HB   GLU  22          2HB       GLU  22   8.724  14.380  15.378
  127   2HB   GLU  22          1HB       GLU  22   9.161  12.700  15.084
  128   1HG   GLU  22          2HG       GLU  22   9.617  12.287  17.355
  129   2HG   GLU  22          1HG       GLU  22   9.789  14.002  17.726
  130    H    GLU  23           H        GLU  23  12.815  14.971  14.030
  131    HA   GLU  23           HA       GLU  23  11.671  14.421  11.381
  132   1HB   GLU  23          2HB       GLU  23  13.733  16.121  12.622
  133   2HB   GLU  23          1HB       GLU  23  14.197  15.496  11.044
  134   1HG   GLU  23          2HG       GLU  23  12.457  16.562   9.940
  135   2HG   GLU  23          1HG       GLU  23  11.450  16.641  11.380
  136    H    GLU  24           H        GLU  24  13.751  13.765   9.808
  137    HA   GLU  24           HA       GLU  24  15.052  11.972   9.043
  138   1HB   GLU  24          2HB       GLU  24  15.929  12.866  11.609
  139   2HB   GLU  24          1HB       GLU  24  16.088  11.118  11.568
  140   1HG   GLU  24          2HG       GLU  24  17.030  11.838   9.083
  141   2HG   GLU  24          1HG       GLU  24  17.601  13.162  10.096
  142    H    ASP  25           H        ASP  25  12.543  11.122   9.089
  143    HA   ASP  25           HA       ASP  25  12.388   8.676  10.792
  144   1HB   ASP  25          2HB       ASP  25  10.043   8.850  10.492
  145   2HB   ASP  25          1HB       ASP  25  10.566  10.527  10.578
  146    H    GLY  26           H        GLY  26  10.947   6.936   9.336
  147   1HA   GLY  26          2HA       GLY  26  10.888   5.552   7.407
  148   2HA   GLY  26          1HA       GLY  26  11.852   6.758   6.554
  149    H    GLY  27           H        GLY  27  14.208   6.907   7.379
  150   1HA   GLY  27          2HA       GLY  27  15.748   5.267   8.810
  151   2HA   GLY  27          1HA       GLY  27  15.245   4.119   7.568
  152    H    SER  28           H        SER  28  17.634   6.326   8.358
  153    HA   SER  28           HA       SER  28  18.248   7.285   5.648
  154   1HB   SER  28          2HB       SER  28  19.684   7.346   8.320
  155   2HB   SER  28          1HB       SER  28  20.285   8.157   6.881
  156    HG   SER  28           HG       SER  28  18.792   9.301   8.522
  157    HA   PRO  29           HA       PRO  29  20.579   3.723   4.481
  158   1HB   PRO  29          2HB       PRO  29  22.038   4.816   2.439
  159   2HB   PRO  29          1HB       PRO  29  20.312   4.430   2.298
  160   1HG   PRO  29          2HG       PRO  29  21.627   7.063   2.748
  161   2HG   PRO  29          1HG       PRO  29  20.188   6.662   1.797
  162   1HD   PRO  29          2HD       PRO  29  20.114   7.785   4.301
  163   2HD   PRO  29          1HD       PRO  29  18.796   6.820   3.599
  164    H    ALA  30           H        ALA  30  21.921   3.536   6.408
  165    HA   ALA  30           HA       ALA  30  24.429   5.092   6.497
  166   1HB   ALA  30          1HB       ALA  30  23.335   2.998   8.402
  167   2HB   ALA  30          2HB       ALA  30  22.920   4.712   8.484
  168   3HB   ALA  30          3HB       ALA  30  24.584   4.194   8.748
  169    H    GLU  31           H        GLU  31  23.501   1.632   6.708
  170    HA   GLU  31           HA       GLU  31  26.214   0.718   6.172
  171   1HB   GLU  31          2HB       GLU  31  24.565  -0.445   7.631
  172   2HB   GLU  31          1HB       GLU  31  23.550  -0.733   6.221
  173   1HG   GLU  31          2HG       GLU  31  25.220  -2.144   5.208
  174   2HG   GLU  31          1HG       GLU  31  26.411  -1.702   6.431
  175    H    GLY  32           H        GLY  32  23.723   1.855   4.137
  176   1HA   GLY  32          2HA       GLY  32  23.902   2.025   1.749
  177   2HA   GLY  32          1HA       GLY  32  25.109   0.740   1.775
  178    H    CYS  33           H        CYS  33  22.904  -0.587   3.708
  179    HA   CYS  33           HA       CYS  33  21.771  -2.252   1.590
  180   1HB   CYS  33          2HB       CYS  33  21.584  -2.111   4.611
  181   2HB   CYS  33          1HB       CYS  33  20.663  -3.291   3.678
  182    H    ALA  34           H        ALA  34  20.719  -0.063   0.734
  183    HA   ALA  34           HA       ALA  34  18.288   0.808   2.131
  184   1HB   ALA  34          1HB       ALA  34  19.749   2.242   0.670
  185   2HB   ALA  34          2HB       ALA  34  18.059   2.250   0.161
  186   3HB   ALA  34          3HB       ALA  34  19.243   1.279  -0.718
  187    H    GLU  35           H        GLU  35  19.080  -1.256  -0.652
  188    HA   GLU  35           HA       GLU  35  16.232  -1.904  -1.127
  189   1HB   GLU  35          2HB       GLU  35  18.829  -2.804  -2.423
  190   2HB   GLU  35          1HB       GLU  35  17.213  -3.163  -3.033
  191   1HG   GLU  35          2HG       GLU  35  16.765  -0.715  -3.203
  192   2HG   GLU  35          1HG       GLU  35  18.421  -0.401  -2.691
  193    H    ALA  36           H        ALA  36  15.584  -4.248  -1.170
  194    HA   ALA  36           HA       ALA  36  16.492  -5.612   1.252
  195   1HB   ALA  36          1HB       ALA  36  14.703  -7.205   0.597
  196   2HB   ALA  36          2HB       ALA  36  14.572  -6.398  -0.967
  197   3HB   ALA  36          3HB       ALA  36  14.135  -5.536   0.508
  198    H    GLU  37           H        GLU  37  16.613  -6.345  -2.261
  199    HA   GLU  37           HA       GLU  37  18.386  -8.643  -1.693
  200   1HB   GLU  37          2HB       GLU  37  16.365  -8.009  -3.579
  201   2HB   GLU  37          1HB       GLU  37  17.868  -8.161  -4.496
  202   1HG   GLU  37          2HG       GLU  37  18.198 -10.383  -3.838
  203   2HG   GLU  37          1HG       GLU  37  17.175 -10.219  -2.411
  204    H    GLY  38           H        GLY  38  19.906  -6.640  -0.973
  205   1HA   GLY  38          2HA       GLY  38  21.821  -6.302  -3.208
  206   2HA   GLY  38          1HA       GLY  38  21.217  -4.826  -2.456
  207    H    CYS  39           H        CYS  39  21.579  -7.530  -0.317
  208    HA   CYS  39           HA       CYS  39  24.304  -6.625   0.515
  209   1HB   CYS  39          2HB       CYS  39  21.742  -6.570   2.123
  210   2HB   CYS  39          1HB       CYS  39  23.320  -6.582   2.902
  211    H    LEU  40           H        LEU  40  23.066  -9.168  -0.631
  212    HA   LEU  40           HA       LEU  40  23.105 -11.495  -0.250
  213   1HB   LEU  40          2HB       LEU  40  25.556 -10.327   0.016
  214   2HB   LEU  40          1HB       LEU  40  25.424 -11.150   1.572
  215    HG   LEU  40           HG       LEU  40  24.869 -12.536  -1.062
  216   1HD1  LEU  40          1HD1      LEU  40  27.439 -12.372   0.536
  217   2HD1  LEU  40          2HD1      LEU  40  27.181 -11.805  -1.115
  218   3HD1  LEU  40          3HD1      LEU  40  27.152 -13.532  -0.758
  219   1HD2  LEU  40          1HD2      LEU  40  24.466 -14.372   0.211
  220   2HD2  LEU  40          2HD2      LEU  40  24.327 -13.252   1.567
  221   3HD2  LEU  40          3HD2      LEU  40  25.860 -14.061   1.241
  222    H    ARG  41           H        ARG  41  21.085 -10.982   1.232
  223    HA   ARG  41           HA       ARG  41  21.273 -12.650   3.560
  224   1HB   ARG  41          2HB       ARG  41  20.708 -10.755   5.201
  225   2HB   ARG  41          1HB       ARG  41  22.373 -10.823   4.624
  226   1HG   ARG  41          2HG       ARG  41  21.909  -9.077   2.973
  227   2HG   ARG  41          1HG       ARG  41  20.209  -9.046   3.445
  228   1HD   ARG  41          2HD       ARG  41  20.990  -7.300   4.763
  229   2HD   ARG  41          1HD       ARG  41  21.311  -8.645   5.875
  230    HE   ARG  41           HE       ARG  41  23.589  -8.612   4.317
  231   1HH1  ARG  41          1HH2      ARG  41  21.851  -6.177   6.145
  232   2HH1  ARG  41          2HH2      ARG  41  23.279  -5.246   6.470
  233   1HH2  ARG  41          1HH1      ARG  41  25.438  -7.349   4.796
  234   2HH2  ARG  41          2HH1      ARG  41  25.272  -5.885   5.715
  235    H    ARG  42           H        ARG  42  19.282 -13.616   3.445
  236    HA   ARG  42           HA       ARG  42  16.895 -11.906   3.005
  237   1HB   ARG  42          2HB       ARG  42  18.060 -13.756   1.187
  238   2HB   ARG  42          1HB       ARG  42  16.556 -14.477   1.760
  239   1HG   ARG  42          2HG       ARG  42  15.454 -12.214   1.286
  240   2HG   ARG  42          1HG       ARG  42  16.928 -11.787   0.416
  241   1HD   ARG  42          2HD       ARG  42  16.631 -13.787  -1.049
  242   2HD   ARG  42          1HD       ARG  42  15.113 -14.158  -0.209
  243    HE   ARG  42           HE       ARG  42  15.569 -11.898  -2.059
  244   1HH1  ARG  42          1HH2      ARG  42  13.583 -13.324   0.427
  245   2HH1  ARG  42          2HH2      ARG  42  12.177 -12.430  -0.022
  246   1HH2  ARG  42          1HH1      ARG  42  13.753 -10.753  -2.646
  247   2HH2  ARG  42          2HH1      ARG  42  12.271 -10.954  -1.755
  248    H    GLU  43           H        GLU  43  18.072 -15.103   4.061
  249    HA   GLU  43           HA       GLU  43  15.684 -16.078   5.233
  250   1HB   GLU  43          2HB       GLU  43  18.632 -16.454   5.735
  251   2HB   GLU  43          1HB       GLU  43  17.445 -17.308   6.720
  252   1HG   GLU  43          2HG       GLU  43  16.779 -17.483   3.896
  253   2HG   GLU  43          1HG       GLU  43  18.404 -18.092   4.204
  254    H    GLY  44           H        GLY  44  14.592 -15.504   7.073
  255   1HA   GLY  44          2HA       GLY  44  16.012 -13.975   9.200
  256   2HA   GLY  44          1HA       GLY  44  14.559 -13.266   8.496
  257    H    GLN  45           HN       GLN  45  12.912 -15.501   8.243
  258    HA   GLN  45           HA       GLN  45  12.685 -16.498  11.066
  259   1HB   GLN  45          2HB       GLN  45  10.674 -15.290   9.168
  260   2HB   GLN  45          1HB       GLN  45  10.153 -16.314  10.506
  261   1HG   GLN  45          2HG       GLN  45  12.114 -14.290  11.321
  262   2HG   GLN  45          1HG       GLN  45  10.634 -13.587  10.668
  263   1HE2  GLN  45          1HE2      GLN  45   9.469 -12.999  12.529
  264   2HE2  GLN  45          2HE2      GLN  45   9.102 -14.063  13.798
  Start of MODEL    3
    1   1H    ALA   1          1HT       ALA   1  13.573  14.908 -30.226
    2   2H    ALA   1          2HT       ALA   1  12.236  13.883 -30.422
    3   3H    ALA   1          3HT       ALA   1  12.231  15.083 -29.218
    4    HA   ALA   1           HA       ALA   1  10.879  15.653 -31.247
    5   1HB   ALA   1          1HB       ALA   1  13.290  17.341 -30.467
    6   2HB   ALA   1          2HB       ALA   1  11.746  17.301 -29.616
    7   3HB   ALA   1          3HB       ALA   1  11.836  17.959 -31.251
    8    H    LEU   2           H        LEU   2  10.918  15.925 -33.495
    9    HA   LEU   2           HA       LEU   2  11.705  15.762 -35.712
   10   1HB   LEU   2          2HB       LEU   2  13.709  17.155 -34.118
   11   2HB   LEU   2          1HB       LEU   2  14.455  16.286 -35.456
   12    HG   LEU   2           HG       LEU   2  13.844  18.532 -36.193
   13   1HD1  LEU   2          1HD1      LEU   2  12.926  17.891 -38.203
   14   2HD1  LEU   2          2HD1      LEU   2  11.683  16.897 -37.445
   15   3HD1  LEU   2          3HD1      LEU   2  13.337  16.297 -37.572
   16   1HD2  LEU   2          1HD2      LEU   2  12.019  18.855 -34.511
   17   2HD2  LEU   2          2HD2      LEU   2  10.996  17.783 -35.468
   18   3HD2  LEU   2          3HD2      LEU   2  11.542  19.318 -36.143
   19    H    ALA   3           H        ALA   3  11.430  13.486 -35.928
   20    HA   ALA   3           HA       ALA   3  13.132  11.449 -34.931
   21   1HB   ALA   3          1HB       ALA   3  12.198  10.471 -37.319
   22   2HB   ALA   3          2HB       ALA   3  11.079  11.802 -37.028
   23   3HB   ALA   3          3HB       ALA   3  11.255  10.520 -35.830
   24    H    ARG   4           H        ARG   4  15.328  11.387 -35.290
   25    HA   ARG   4           HA       ARG   4  16.361  11.285 -38.021
   26   1HB   ARG   4          2HB       ARG   4  16.125  13.758 -36.769
   27   2HB   ARG   4          1HB       ARG   4  17.810  13.311 -36.482
   28   1HG   ARG   4          2HG       ARG   4  16.934  12.735 -39.226
   29   2HG   ARG   4          1HG       ARG   4  16.833  14.449 -38.816
   30   1HD   ARG   4          2HD       ARG   4  19.244  14.074 -37.816
   31   2HD   ARG   4          1HD       ARG   4  19.260  12.668 -38.900
   32    HE   ARG   4           HE       ARG   4  19.275  14.137 -40.748
   33   1HH1  ARG   4          1HH2      ARG   4  18.369  15.813 -37.836
   34   2HH1  ARG   4          2HH2      ARG   4  18.457  17.380 -38.562
   35   1HH2  ARG   4          1HH1      ARG   4  19.388  16.198 -41.689
   36   2HH2  ARG   4          2HH1      ARG   4  19.038  17.596 -40.740
   37    H    CYS   5           H        CYS   5  17.500  11.900 -34.676
   38    HA   CYS   5           HA       CYS   5  19.241   9.472 -34.899
   39   1HB   CYS   5          2HB       CYS   5  20.656  11.341 -35.367
   40   2HB   CYS   5          1HB       CYS   5  19.932  12.310 -34.085
   41    HA   PRO   6           HA       PRO   6  16.760   9.325 -31.051
   42   1HB   PRO   6          2HB       PRO   6  16.463   6.612 -31.067
   43   2HB   PRO   6          1HB       PRO   6  15.406   7.705 -31.982
   44   1HG   PRO   6          2HG       PRO   6  17.695   6.055 -32.933
   45   2HG   PRO   6          1HG       PRO   6  16.152   6.413 -33.724
   46   1HD   PRO   6          2HD       PRO   6  18.505   7.658 -34.353
   47   2HD   PRO   6          1HD       PRO   6  16.902   8.390 -34.584
   48    H    GLY   7           H        GLY   7  19.726   7.718 -32.020
   49   1HA   GLY   7          2HA       GLY   7  20.302   6.539 -29.429
   50   2HA   GLY   7          1HA       GLY   7  21.453   6.732 -30.749
   51    H    CYS   8           H        CYS   8  21.244   9.564 -31.046
   52    HA   CYS   8           HA       CYS   8  22.912  10.403 -28.764
   53   1HB   CYS   8          2HB       CYS   8  23.328  12.349 -30.204
   54   2HB   CYS   8          1HB       CYS   8  23.484  10.863 -31.136
   55    H    GLY   9           H        GLY   9  22.414  12.987 -28.288
   56   1HA   GLY   9          2HA       GLY   9  19.498  13.318 -27.801
   57   2HA   GLY   9          1HA       GLY   9  20.591  13.390 -26.419
   58    H    GLN  10           H        GLN  10  20.589  15.552 -25.869
   59    HA   GLN  10           HA       GLN  10  20.531  17.670 -27.869
   60   1HB   GLN  10          2HB       GLN  10  20.355  17.332 -24.943
   61   2HB   GLN  10          1HB       GLN  10  21.104  18.845 -25.451
   62   1HG   GLN  10          2HG       GLN  10  19.185  19.604 -26.509
   63   2HG   GLN  10          1HG       GLN  10  18.579  17.975 -26.813
   64   1HE2  GLN  10          1HE2      GLN  10  17.599  20.537 -25.178
   65   2HE2  GLN  10          2HE2      GLN  10  17.012  19.835 -23.750
   66    H    GLY  11           H        GLY  11  22.890  16.029 -28.225
   67   1HA   GLY  11          2HA       GLY  11  25.125  16.530 -28.812
   68   2HA   GLY  11          1HA       GLY  11  24.923  18.122 -28.085
   69    H    VAL  12           H        VAL  12  24.060  17.097 -25.454
   70    HA   VAL  12           HA       VAL  12  26.593  15.780 -24.535
   71    HB   VAL  12           HB       VAL  12  26.410  17.372 -22.559
   72   1HG1  VAL  12          1HG1      VAL  12  27.365  19.262 -23.771
   73   2HG1  VAL  12          2HG1      VAL  12  26.669  18.680 -25.281
   74   3HG1  VAL  12          3HG1      VAL  12  27.941  17.754 -24.486
   75   1HG2  VAL  12          1HG2      VAL  12  24.500  18.892 -24.358
   76   2HG2  VAL  12          2HG2      VAL  12  24.967  19.287 -22.704
   77   3HG2  VAL  12          3HG2      VAL  12  23.948  17.883 -23.022
   78    H    GLN  13           H        GLN  13  24.657  14.029 -24.838
   79    HA   GLN  13           HA       GLN  13  23.367  13.720 -22.169
   80   1HB   GLN  13          2HB       GLN  13  21.889  14.268 -24.156
   81   2HB   GLN  13          1HB       GLN  13  22.348  12.706 -24.832
   82   1HG   GLN  13          2HG       GLN  13  20.706  11.760 -23.606
   83   2HG   GLN  13          1HG       GLN  13  21.603  12.199 -22.154
   84   1HE2  GLN  13          1HE2      GLN  13  18.734  12.886 -23.984
   85   2HE2  GLN  13          2HE2      GLN  13  18.212  14.201 -23.050
   86    H    ALA  14           H        ALA  14  25.030  12.375 -21.342
   87    HA   ALA  14           HA       ALA  14  25.069   9.616 -22.449
   88   1HB   ALA  14          1HB       ALA  14  27.548  11.309 -22.004
   89   2HB   ALA  14          2HB       ALA  14  26.850  10.935 -23.582
   90   3HB   ALA  14          3HB       ALA  14  27.518   9.644 -22.583
   91    H    GLY  15           H        GLY  15  26.097   8.093 -20.958
   92   1HA   GLY  15          2HA       GLY  15  26.574   9.021 -18.174
   93   2HA   GLY  15          1HA       GLY  15  25.309   7.813 -18.431
   94    H    CYS  16           H        CYS  16  26.211   6.048 -20.133
   95    HA   CYS  16           HA       CYS  16  28.903   5.151 -19.147
   96   1HB   CYS  16          2HB       CYS  16  27.715   2.819 -19.718
   97   2HB   CYS  16          1HB       CYS  16  27.475   3.603 -18.158
   98    HA   PRO  17           HA       PRO  17  28.884   5.771 -23.741
   99   1HB   PRO  17          2HB       PRO  17  31.446   6.737 -23.855
  100   2HB   PRO  17          1HB       PRO  17  30.025   7.758 -23.556
  101   1HG   PRO  17          2HG       PRO  17  31.984   6.628 -21.606
  102   2HG   PRO  17          1HG       PRO  17  31.253   8.242 -21.664
  103   1HD   PRO  17          2HD       PRO  17  30.380   6.328 -19.970
  104   2HD   PRO  17          1HD       PRO  17  29.287   7.539 -20.687
  105    H    GLY  18           H        GLY  18  31.102   4.079 -21.570
  106   1HA   GLY  18          2HA       GLY  18  32.234   2.557 -23.858
  107   2HA   GLY  18          1HA       GLY  18  32.812   2.480 -22.187
  108    H    GLY  19           H        GLY  19  29.373   2.312 -22.635
  109   1HA   GLY  19          2HA       GLY  19  28.170   0.183 -23.077
  110   2HA   GLY  19          1HA       GLY  19  29.502  -0.646 -22.267
  111    H    CYS  20           H        CYS  20  26.511  -0.349 -21.629
  112    HA   CYS  20           HA       CYS  20  26.751   0.809 -18.884
  113   1HB   CYS  20          2HB       CYS  20  24.273   0.157 -20.523
  114   2HB   CYS  20          1HB       CYS  20  24.344   1.114 -19.043
  115    H    VAL  21           H        VAL  21  25.407  -0.406 -17.236
  116    HA   VAL  21           HA       VAL  21  26.094  -3.247 -17.307
  117    HB   VAL  21           HB       VAL  21  24.438  -1.692 -15.282
  118   1HG1  VAL  21          1HG1      VAL  21  25.362  -3.350 -13.705
  119   2HG1  VAL  21          2HG1      VAL  21  26.224  -4.128 -15.030
  120   3HG1  VAL  21          3HG1      VAL  21  24.461  -4.146 -14.997
  121   1HG2  VAL  21          1HG2      VAL  21  26.343  -0.402 -15.189
  122   2HG2  VAL  21          2HG2      VAL  21  27.340  -1.650 -15.937
  123   3HG2  VAL  21          3HG2      VAL  21  26.935  -1.755 -14.224
  124    H    GLU  22           H        GLU  22  24.562  -3.324 -19.381
  125    HA   GLU  22           HA       GLU  22  21.726  -3.714 -18.632
  126   1HB   GLU  22          2HB       GLU  22  23.177  -2.806 -20.903
  127   2HB   GLU  22          1HB       GLU  22  22.352  -4.286 -21.380
  128   1HG   GLU  22          2HG       GLU  22  20.399  -2.969 -19.944
  129   2HG   GLU  22          1HG       GLU  22  21.224  -1.640 -20.763
  130    H    GLU  23           H        GLU  23  24.565  -5.530 -19.687
  131    HA   GLU  23           HA       GLU  23  23.019  -8.038 -19.880
  132   1HB   GLU  23          2HB       GLU  23  25.971  -7.495 -20.322
  133   2HB   GLU  23          1HB       GLU  23  25.063  -8.882 -20.904
  134   1HG   GLU  23          2HG       GLU  23  23.871  -6.331 -21.753
  135   2HG   GLU  23          1HG       GLU  23  25.523  -6.518 -22.323
  136    H    GLU  24           H        GLU  24  22.852  -7.278 -17.320
  137    HA   GLU  24           HA       GLU  24  23.468  -7.695 -15.085
  138   1HB   GLU  24          2HB       GLU  24  23.823 -10.293 -16.589
  139   2HB   GLU  24          1HB       GLU  24  23.733 -10.179 -14.838
  140   1HG   GLU  24          2HG       GLU  24  21.575  -8.690 -16.094
  141   2HG   GLU  24          1HG       GLU  24  21.560 -10.383 -16.584
  142    H    ASP  25           H        ASP  25  25.532  -6.288 -15.565
  143    HA   ASP  25           HA       ASP  25  28.078  -7.805 -15.595
  144   1HB   ASP  25          2HB       ASP  25  27.162  -5.275 -16.431
  145   2HB   ASP  25          1HB       ASP  25  28.219  -4.941 -15.062
  146    H    GLY  26           H        GLY  26  25.833  -6.682 -13.252
  147   1HA   GLY  26          2HA       GLY  26  26.016  -7.044 -10.891
  148   2HA   GLY  26          1HA       GLY  26  27.766  -7.196 -11.074
  149    H    GLY  27           H        GLY  27  28.822  -5.086 -11.921
  150   1HA   GLY  27          2HA       GLY  27  29.289  -2.802 -11.607
  151   2HA   GLY  27          1HA       GLY  27  27.560  -2.553 -11.384
  152    H    SER  28           H        SER  28  29.007  -1.027  -9.787
  153    HA   SER  28           HA       SER  28  29.216  -2.439  -7.145
  154   1HB   SER  28          2HB       SER  28  31.154  -1.132  -8.376
  155   2HB   SER  28          1HB       SER  28  30.320   0.293  -7.757
  156    HG   SER  28           HG       SER  28  30.875  -0.235  -5.776
  157    HA   PRO  29           HA       PRO  29  25.457   0.143  -6.736
  158   1HB   PRO  29          2HB       PRO  29  24.273  -1.445  -4.846
  159   2HB   PRO  29          1HB       PRO  29  24.152  -1.758  -6.589
  160   1HG   PRO  29          2HG       PRO  29  25.898  -3.043  -4.549
  161   2HG   PRO  29          1HG       PRO  29  25.067  -3.760  -5.940
  162   1HD   PRO  29          2HD       PRO  29  27.732  -3.161  -5.914
  163   2HD   PRO  29          1HD       PRO  29  26.747  -3.211  -7.393
  164    H    ALA  30           H        ALA  30  26.099   1.950  -5.566
  165    HA   ALA  30           HA       ALA  30  27.489   1.740  -3.014
  166   1HB   ALA  30          1HB       ALA  30  26.267   4.103  -4.480
  167   2HB   ALA  30          2HB       ALA  30  27.913   3.510  -4.707
  168   3HB   ALA  30          3HB       ALA  30  27.428   4.208  -3.161
  169    H    GLU  31           H        GLU  31  24.315   3.122  -3.977
  170    HA   GLU  31           HA       GLU  31  23.435   3.163  -1.172
  171   1HB   GLU  31          2HB       GLU  31  23.073   4.829  -3.254
  172   2HB   GLU  31          1HB       GLU  31  21.641   3.818  -3.449
  173   1HG   GLU  31          2HG       GLU  31  20.768   4.421  -1.351
  174   2HG   GLU  31          1HG       GLU  31  22.340   4.930  -0.739
  175    H    GLY  32           H        GLY  32  23.742   0.625  -3.038
  176   1HA   GLY  32          2HA       GLY  32  20.992  -0.423  -3.035
  177   2HA   GLY  32          1HA       GLY  32  22.419  -1.267  -3.638
  178    H    CYS  33           H        CYS  33  22.155   0.254  -0.468
  179    HA   CYS  33           HA       CYS  33  22.457  -2.459   0.778
  180   1HB   CYS  33          2HB       CYS  33  24.153  -0.319   0.846
  181   2HB   CYS  33          1HB       CYS  33  23.179  -0.006   2.283
  182    H    ALA  34           H        ALA  34  19.922  -0.755   0.124
  183    HA   ALA  34           HA       ALA  34  18.640  -1.173   2.768
  184   1HB   ALA  34          1HB       ALA  34  17.830   1.157   2.811
  185   2HB   ALA  34          2HB       ALA  34  18.687   1.489   1.305
  186   3HB   ALA  34          3HB       ALA  34  19.593   1.120   2.773
  187    H    GLU  35           H        GLU  35  18.202  -2.632   0.398
  188    HA   GLU  35           HA       GLU  35  15.458  -1.704  -0.387
  189   1HB   GLU  35          2HB       GLU  35  16.053  -2.742  -2.649
  190   2HB   GLU  35          1HB       GLU  35  16.914  -1.264  -2.238
  191   1HG   GLU  35          2HG       GLU  35  18.874  -2.537  -1.553
  192   2HG   GLU  35          1HG       GLU  35  18.015  -4.058  -1.799
  193    H    ALA  36           H        ALA  36  14.926  -4.057  -1.973
  194    HA   ALA  36           HA       ALA  36  14.185  -5.909   0.164
  195   1HB   ALA  36          1HB       ALA  36  12.663  -5.531  -1.656
  196   2HB   ALA  36          2HB       ALA  36  13.268  -7.174  -1.862
  197   3HB   ALA  36          3HB       ALA  36  13.910  -5.866  -2.857
  198    H    GLU  37           H        GLU  37  16.802  -5.683  -2.159
  199    HA   GLU  37           HA       GLU  37  17.556  -8.502  -1.985
  200   1HB   GLU  37          2HB       GLU  37  18.005  -6.431  -3.728
  201   2HB   GLU  37          1HB       GLU  37  19.539  -6.481  -2.853
  202   1HG   GLU  37          2HG       GLU  37  19.991  -8.046  -4.489
  203   2HG   GLU  37          1HG       GLU  37  19.271  -9.105  -3.278
  204    H    GLY  38           H        GLY  38  18.487  -5.472  -0.405
  205   1HA   GLY  38          2HA       GLY  38  19.300  -5.541   1.914
  206   2HA   GLY  38          1HA       GLY  38  20.115  -7.061   1.529
  207    H    CYS  39           H        CYS  39  22.135  -6.995   0.542
  208    HA   CYS  39           HA       CYS  39  23.225  -4.500  -0.565
  209   1HB   CYS  39          2HB       CYS  39  23.294  -4.623   2.105
  210   2HB   CYS  39          1HB       CYS  39  24.730  -5.600   1.781
  211    H    LEU  40           H        LEU  40  24.255  -5.364  -2.350
  212    HA   LEU  40           HA       LEU  40  25.375  -8.076  -2.236
  213   1HB   LEU  40          2HB       LEU  40  23.953  -6.942  -4.101
  214   2HB   LEU  40          1HB       LEU  40  25.471  -6.175  -4.569
  215    HG   LEU  40           HG       LEU  40  26.034  -8.930  -4.139
  216   1HD1  LEU  40          1HD1      LEU  40  23.741  -8.543  -6.073
  217   2HD1  LEU  40          2HD1      LEU  40  23.533  -9.181  -4.442
  218   3HD1  LEU  40          3HD1      LEU  40  24.517 -10.059  -5.612
  219   1HD2  LEU  40          1HD2      LEU  40  26.789  -8.833  -6.409
  220   2HD2  LEU  40          2HD2      LEU  40  27.061  -7.226  -5.735
  221   3HD2  LEU  40          3HD2      LEU  40  25.678  -7.515  -6.792
  222    H    ARG  41           H        ARG  41  27.458  -8.339  -1.568
  223    HA   ARG  41           HA       ARG  41  29.661  -6.899  -2.737
  224   1HB   ARG  41          2HB       ARG  41  28.458  -5.366  -0.931
  225   2HB   ARG  41          1HB       ARG  41  29.359  -6.370   0.209
  226   1HG   ARG  41          2HG       ARG  41  31.008  -4.833  -0.146
  227   2HG   ARG  41          1HG       ARG  41  31.321  -5.802  -1.585
  228   1HD   ARG  41          2HD       ARG  41  29.983  -4.304  -2.967
  229   2HD   ARG  41          1HD       ARG  41  29.443  -3.407  -1.536
  230    HE   ARG  41           HE       ARG  41  31.587  -2.385  -1.389
  231   1HH1  ARG  41          1HH2      ARG  41  31.569  -5.010  -3.669
  232   2HH1  ARG  41          2HH2      ARG  41  33.122  -4.623  -4.313
  233   1HH2  ARG  41          1HH1      ARG  41  33.630  -1.888  -2.233
  234   2HH2  ARG  41          2HH1      ARG  41  34.293  -2.867  -3.503
  235    H    ARG  42           H        ARG  42  30.431  -9.070  -3.040
  236    HA   ARG  42           HA       ARG  42  32.013 -10.166  -0.903
  237   1HB   ARG  42          2HB       ARG  42  29.722 -10.765  -0.132
  238   2HB   ARG  42          1HB       ARG  42  29.463 -11.647  -1.633
  239   1HG   ARG  42          2HG       ARG  42  30.577 -13.445  -0.863
  240   2HG   ARG  42          1HG       ARG  42  31.948 -12.458  -0.357
  241   1HD   ARG  42          2HD       ARG  42  30.841 -11.910   1.752
  242   2HD   ARG  42          1HD       ARG  42  29.373 -12.773   1.240
  243    HE   ARG  42           HE       ARG  42  31.317 -14.682   0.909
  244   1HH1  ARG  42          1HH2      ARG  42  30.448 -12.556   3.528
  245   2HH1  ARG  42          2HH2      ARG  42  31.011 -13.634   4.753
  246   1HH2  ARG  42          1HH1      ARG  42  32.051 -16.095   2.527
  247   2HH2  ARG  42          2HH1      ARG  42  31.927 -15.633   4.190
  248    H    GLU  43           H        GLU  43  30.180 -11.219  -3.782
  249    HA   GLU  43           HA       GLU  43  30.856 -12.373  -5.718
  250   1HB   GLU  43          2HB       GLU  43  32.483 -10.271  -5.356
  251   2HB   GLU  43          1HB       GLU  43  33.682 -11.550  -5.175
  252   1HG   GLU  43          2HG       GLU  43  33.608 -12.090  -7.384
  253   2HG   GLU  43          1HG       GLU  43  31.853 -11.935  -7.451
  254    H    GLY  44           H        GLY  44  33.203 -13.758  -6.299
  255   1HA   GLY  44          2HA       GLY  44  33.395 -15.764  -4.081
  256   2HA   GLY  44          1HA       GLY  44  33.305 -16.240  -5.779
  257    H    GLN  45           HN       GLN  45  35.122 -13.406  -4.816
  258    HA   GLN  45           HA       GLN  45  37.714 -14.808  -4.769
  259   1HB   GLN  45          2HB       GLN  45  36.499 -13.705  -7.174
  260   2HB   GLN  45          1HB       GLN  45  38.014 -12.880  -6.819
  261   1HG   GLN  45          2HG       GLN  45  39.133 -15.100  -6.611
  262   2HG   GLN  45          1HG       GLN  45  37.624 -15.876  -7.092
  263   1HE2  GLN  45          1HE2      GLN  45  40.240 -13.763  -8.230
  264   2HE2  GLN  45          2HE2      GLN  45  39.892 -13.931  -9.881
  Start of MODEL    4
    1   1H    ALA   1          1HT       ALA   1  64.572   7.252  11.640
    2   2H    ALA   1          2HT       ALA   1  66.155   6.903  11.140
    3   3H    ALA   1          3HT       ALA   1  65.476   8.430  10.834
    4    HA   ALA   1           HA       ALA   1  65.818   7.431  13.605
    5   1HB   ALA   1          1HB       ALA   1  67.961   7.324  12.301
    6   2HB   ALA   1          2HB       ALA   1  68.010   8.516  13.598
    7   3HB   ALA   1          3HB       ALA   1  67.781   9.039  11.928
    8    H    LEU   2           H        LEU   2  65.158   9.023  15.060
    9    HA   LEU   2           HA       LEU   2  64.119  11.005  15.821
   10   1HB   LEU   2          2HB       LEU   2  66.494  11.594  14.713
   11   2HB   LEU   2          1HB       LEU   2  65.462  12.504  13.609
   12    HG   LEU   2           HG       LEU   2  64.485  13.001  16.224
   13   1HD1  LEU   2          1HD1      LEU   2  66.760  12.180  16.957
   14   2HD1  LEU   2          2HD1      LEU   2  66.396  13.842  17.417
   15   3HD1  LEU   2          3HD1      LEU   2  67.464  13.522  16.051
   16   1HD2  LEU   2          1HD2      LEU   2  65.094  15.305  15.697
   17   2HD2  LEU   2          2HD2      LEU   2  64.463  14.523  14.249
   18   3HD2  LEU   2          3HD2      LEU   2  66.201  14.755  14.440
   19    H    ALA   3           H        ALA   3  62.511   9.499  14.036
   20    HA   ALA   3           HA       ALA   3  61.029  11.680  12.676
   21   1HB   ALA   3          1HB       ALA   3  62.437   9.457  11.521
   22   2HB   ALA   3          2HB       ALA   3  61.534  10.720  10.688
   23   3HB   ALA   3          3HB       ALA   3  60.714   9.249  11.212
   24    H    ARG   4           H        ARG   4  59.055  11.777  13.639
   25    HA   ARG   4           HA       ARG   4  57.402   9.401  13.881
   26   1HB   ARG   4          2HB       ARG   4  57.146   9.724  16.409
   27   2HB   ARG   4          1HB       ARG   4  58.693   9.067  15.883
   28   1HG   ARG   4          2HG       ARG   4  59.844  10.865  16.627
   29   2HG   ARG   4          1HG       ARG   4  58.684  12.003  15.945
   30   1HD   ARG   4          2HD       ARG   4  58.808  12.152  18.448
   31   2HD   ARG   4          1HD       ARG   4  57.194  11.652  17.908
   32    HE   ARG   4           HE       ARG   4  57.640   9.447  18.686
   33   1HH1  ARG   4          1HH2      ARG   4  60.505  11.432  18.725
   34   2HH1  ARG   4          2HH2      ARG   4  61.392  10.345  19.735
   35   1HH2  ARG   4          1HH1      ARG   4  58.772   8.040  19.972
   36   2HH2  ARG   4          2HH1      ARG   4  60.392   8.403  20.460
   37    H    CYS   5           H        CYS   5  55.220  10.003  13.898
   38    HA   CYS   5           HA       CYS   5  54.534  12.829  14.547
   39   1HB   CYS   5          2HB       CYS   5  54.877  13.154  12.274
   40   2HB   CYS   5          1HB       CYS   5  54.530  11.473  11.883
   41    HA   PRO   6           HA       PRO   6  51.224  10.318  16.217
   42   1HB   PRO   6          2HB       PRO   6  50.052  12.316  17.675
   43   2HB   PRO   6          1HB       PRO   6  51.500  11.440  18.209
   44   1HG   PRO   6          2HG       PRO   6  51.254  14.143  17.011
   45   2HG   PRO   6          1HG       PRO   6  52.377  13.554  18.245
   46   1HD   PRO   6          2HD       PRO   6  53.018  13.931  15.592
   47   2HD   PRO   6          1HD       PRO   6  53.888  12.845  16.699
   48    H    GLY   7           H        GLY   7  50.473  13.670  15.133
   49   1HA   GLY   7          2HA       GLY   7  47.776  12.909  14.316
   50   2HA   GLY   7          1HA       GLY   7  48.534  14.478  14.041
   51    H    CYS   8           H        CYS   8  49.160  11.099  12.988
   52    HA   CYS   8           HA       CYS   8  49.565  12.184  10.218
   53   1HB   CYS   8          2HB       CYS   8  50.952  10.240  11.948
   54   2HB   CYS   8          1HB       CYS   8  50.723   9.697  10.285
   55    H    GLY   9           H        GLY   9  47.233  10.599  11.976
   56   1HA   GLY   9          2HA       GLY   9  46.598   8.479  10.063
   57   2HA   GLY   9          1HA       GLY   9  45.606   8.966  11.440
   58    H    GLN  10           H        GLN  10  46.774  10.563   8.443
   59    HA   GLN  10           HA       GLN  10  44.187  10.860   7.258
   60   1HB   GLN  10          2HB       GLN  10  43.980  12.290   9.350
   61   2HB   GLN  10          1HB       GLN  10  45.225  13.342   8.680
   62   1HG   GLN  10          2HG       GLN  10  43.504  13.143   6.562
   63   2HG   GLN  10          1HG       GLN  10  42.387  13.041   7.922
   64   1HE2  GLN  10          1HE2      GLN  10  41.542  15.222   7.533
   65   2HE2  GLN  10          2HE2      GLN  10  42.488  16.594   7.873
   66    H    GLY  11           H        GLY  11  46.976  13.070   7.707
   67   1HA   GLY  11          2HA       GLY  11  47.177  13.466   4.801
   68   2HA   GLY  11          1HA       GLY  11  48.155  14.267   6.032
   69    H    VAL  12           H        VAL  12  47.628  10.929   4.841
   70    HA   VAL  12           HA       VAL  12  50.564  10.658   4.509
   71    HB   VAL  12           HB       VAL  12  50.109   9.981   6.816
   72   1HG1  VAL  12          1HG1      VAL  12  48.255   7.828   5.788
   73   2HG1  VAL  12          2HG1      VAL  12  47.645   9.405   6.286
   74   3HG1  VAL  12          3HG1      VAL  12  48.482   8.378   7.448
   75   1HG2  VAL  12          1HG2      VAL  12  51.252   7.951   6.767
   76   2HG2  VAL  12          2HG2      VAL  12  51.602   8.577   5.155
   77   3HG2  VAL  12          3HG2      VAL  12  50.347   7.356   5.374
   78    H    GLN  13           H        GLN  13  47.414   8.961   4.236
   79    HA   GLN  13           HA       GLN  13  47.720   8.420   1.434
   80   1HB   GLN  13          2HB       GLN  13  49.442   6.896   2.652
   81   2HB   GLN  13          1HB       GLN  13  48.039   5.977   3.189
   82   1HG   GLN  13          2HG       GLN  13  47.461   5.339   1.010
   83   2HG   GLN  13          1HG       GLN  13  48.379   6.651   0.276
   84   1HE2  GLN  13          1HE2      GLN  13  50.046   5.653  -0.903
   85   2HE2  GLN  13          2HE2      GLN  13  51.062   4.438  -0.290
   86    H    ALA  14           H        ALA  14  46.419   6.825   4.366
   87    HA   ALA  14           HA       ALA  14  43.705   6.823   3.078
   88   1HB   ALA  14          1HB       ALA  14  44.683   4.994   5.279
   89   2HB   ALA  14          2HB       ALA  14  44.981   4.635   3.578
   90   3HB   ALA  14          3HB       ALA  14  43.327   4.747   4.177
   91    H    GLY  15           H        GLY  15  42.000   6.542   5.056
   92   1HA   GLY  15          2HA       GLY  15  42.344   8.965   6.689
   93   2HA   GLY  15          1HA       GLY  15  40.884   7.983   6.590
   94    H    CYS  16           H        CYS  16  42.224   5.461   7.201
   95    HA   CYS  16           HA       CYS  16  42.796   5.930  10.108
   96   1HB   CYS  16          2HB       CYS  16  42.120   3.210   9.644
   97   2HB   CYS  16          1HB       CYS  16  41.130   4.436  10.443
   98    HA   PRO  17           HA       PRO  17  46.802   4.316   9.085
   99   1HB   PRO  17          2HB       PRO  17  47.778   4.134  11.632
  100   2HB   PRO  17          1HB       PRO  17  47.634   5.673  10.759
  101   1HG   PRO  17          2HG       PRO  17  45.891   4.523  12.871
  102   2HG   PRO  17          1HG       PRO  17  46.343   6.207  12.574
  103   1HD   PRO  17          2HD       PRO  17  43.924   5.100  11.879
  104   2HD   PRO  17          1HD       PRO  17  44.634   6.533  11.101
  105    H    GLY  18           H        GLY  18  45.055   2.309   8.735
  106   1HA   GLY  18          2HA       GLY  18  45.334  -0.080   8.681
  107   2HA   GLY  18          1HA       GLY  18  46.341   0.034  10.130
  108    H    GLY  19           H        GLY  19  43.062  -0.190   8.939
  109   1HA   GLY  19          2HA       GLY  19  41.436  -1.460  10.276
  110   2HA   GLY  19          1HA       GLY  19  42.197  -0.802  11.729
  111    H    CYS  20           H        CYS  20  39.584  -0.457   9.649
  112    HA   CYS  20           HA       CYS  20  39.094   2.359  10.584
  113   1HB   CYS  20          2HB       CYS  20  38.059   1.007   8.081
  114   2HB   CYS  20          1HB       CYS  20  37.925   2.716   8.498
  115    H    VAL  21           H        VAL  21  37.936  -0.886  10.643
  116    HA   VAL  21           HA       VAL  21  35.100  -0.245  10.996
  117    HB   VAL  21           HB       VAL  21  34.932  -2.669  11.385
  118   1HG1  VAL  21          1HG1      VAL  21  35.756  -1.472   9.071
  119   2HG1  VAL  21          2HG1      VAL  21  35.354  -3.184   9.205
  120   3HG1  VAL  21          3HG1      VAL  21  37.034  -2.664   9.310
  121   1HG2  VAL  21          1HG2      VAL  21  37.623  -2.312  12.317
  122   2HG2  VAL  21          2HG2      VAL  21  37.636  -3.475  10.992
  123   3HG2  VAL  21          3HG2      VAL  21  36.618  -3.762  12.402
  124    H    GLU  22           H        GLU  22  37.332   0.762  13.002
  125    HA   GLU  22           HA       GLU  22  36.593  -0.495  15.507
  126   1HB   GLU  22          2HB       GLU  22  38.176   1.980  14.741
  127   2HB   GLU  22          1HB       GLU  22  38.058   1.366  16.388
  128   1HG   GLU  22          2HG       GLU  22  38.858  -0.574  14.258
  129   2HG   GLU  22          1HG       GLU  22  40.050   0.625  14.758
  130    H    GLU  23           H        GLU  23  35.327   2.161  13.600
  131    HA   GLU  23           HA       GLU  23  33.418   2.773  15.788
  132   1HB   GLU  23          2HB       GLU  23  35.420   4.528  14.478
  133   2HB   GLU  23          1HB       GLU  23  33.817   5.228  14.686
  134   1HG   GLU  23          2HG       GLU  23  34.685   3.800  17.071
  135   2HG   GLU  23          1HG       GLU  23  35.799   5.098  16.641
  136    H    GLU  24           H        GLU  24  32.624   1.133  13.830
  137    HA   GLU  24           HA       GLU  24  31.063   0.792  12.106
  138   1HB   GLU  24          2HB       GLU  24  30.043   2.445  13.963
  139   2HB   GLU  24          1HB       GLU  24  29.989   3.545  12.588
  140   1HG   GLU  24          2HG       GLU  24  27.963   2.535  12.280
  141   2HG   GLU  24          1HG       GLU  24  28.954   1.355  11.424
  142    H    ASP  25           H        ASP  25  33.640   2.151  11.307
  143    HA   ASP  25           HA       ASP  25  32.673   3.848   9.038
  144   1HB   ASP  25          2HB       ASP  25  34.332   4.793  10.638
  145   2HB   ASP  25          1HB       ASP  25  35.428   3.465  10.267
  146    H    GLY  26           H        GLY  26  32.414   2.686   7.198
  147   1HA   GLY  26          2HA       GLY  26  33.064   1.352   5.355
  148   2HA   GLY  26          1HA       GLY  26  34.594   1.058   6.174
  149    H    GLY  27           H        GLY  27  34.055  -0.228   8.404
  150   1HA   GLY  27          2HA       GLY  27  33.473  -2.875   7.650
  151   2HA   GLY  27          1HA       GLY  27  33.452  -2.306   9.318
  152    H    SER  28           H        SER  28  31.351  -0.648   9.498
  153    HA   SER  28           HA       SER  28  29.026  -2.364   8.687
  154   1HB   SER  28          2HB       SER  28  29.035  -0.383  10.952
  155   2HB   SER  28          1HB       SER  28  28.070  -1.840  10.766
  156    HG   SER  28           HG       SER  28  30.008  -1.810  12.267
  157    HA   PRO  29           HA       PRO  29  28.400   1.766   6.665
  158   1HB   PRO  29          2HB       PRO  29  27.948   0.844   4.130
  159   2HB   PRO  29          1HB       PRO  29  29.573   1.183   4.750
  160   1HG   PRO  29          2HG       PRO  29  28.218  -1.411   4.327
  161   2HG   PRO  29          1HG       PRO  29  29.938  -1.003   4.247
  162   1HD   PRO  29          2HD       PRO  29  28.650  -2.283   6.369
  163   2HD   PRO  29          1HD       PRO  29  30.262  -1.541   6.413
  164    H    ALA  30           H        ALA  30  26.326   2.348   7.293
  165    HA   ALA  30           HA       ALA  30  24.069   0.522   7.136
  166   1HB   ALA  30          1HB       ALA  30  22.868   2.467   8.085
  167   2HB   ALA  30          2HB       ALA  30  24.252   3.493   7.714
  168   3HB   ALA  30          3HB       ALA  30  24.402   2.214   8.920
  169    H    GLU  31           H        GLU  31  25.382   3.095   5.131
  170    HA   GLU  31           HA       GLU  31  23.000   3.442   3.497
  171   1HB   GLU  31          2HB       GLU  31  25.551   4.665   3.935
  172   2HB   GLU  31          1HB       GLU  31  25.433   4.294   2.219
  173   1HG   GLU  31          2HG       GLU  31  23.642   5.722   1.894
  174   2HG   GLU  31          1HG       GLU  31  23.064   5.546   3.551
  175    H    GLY  32           H        GLY  32  25.079   0.849   3.727
  176   1HA   GLY  32          2HA       GLY  32  25.169   0.298   0.811
  177   2HA   GLY  32          1HA       GLY  32  26.067  -0.583   2.049
  178    H    CYS  33           H        CYS  33  22.608   0.202   2.227
  179    HA   CYS  33           HA       CYS  33  21.796  -2.502   1.426
  180   1HB   CYS  33          2HB       CYS  33  22.759  -2.350   3.922
  181   2HB   CYS  33          1HB       CYS  33  21.116  -1.787   4.249
  182    H    ALA  34           H        ALA  34  20.792  -0.519   0.091
  183    HA   ALA  34           HA       ALA  34  18.512   0.824   1.363
  184   1HB   ALA  34          1HB       ALA  34  18.260   1.856  -0.768
  185   2HB   ALA  34          2HB       ALA  34  19.062   0.519  -1.599
  186   3HB   ALA  34          3HB       ALA  34  19.995   1.617  -0.582
  187    H    GLU  35           H        GLU  35  18.830  -1.658  -1.206
  188    HA   GLU  35           HA       GLU  35  15.982  -2.393  -0.983
  189   1HB   GLU  35          2HB       GLU  35  18.375  -3.259  -2.630
  190   2HB   GLU  35          1HB       GLU  35  16.822  -4.089  -2.742
  191   1HG   GLU  35          2HG       GLU  35  15.770  -2.301  -3.745
  192   2HG   GLU  35          1HG       GLU  35  16.799  -1.104  -2.957
  193    H    ALA  36           H        ALA  36  15.509  -4.829  -0.703
  194    HA   ALA  36           HA       ALA  36  16.773  -5.766   1.772
  195   1HB   ALA  36          1HB       ALA  36  14.353  -5.984   1.223
  196   2HB   ALA  36          2HB       ALA  36  15.087  -7.554   1.544
  197   3HB   ALA  36          3HB       ALA  36  14.765  -7.055  -0.118
  198    H    GLU  37           H        GLU  37  16.690  -6.855  -1.633
  199    HA   GLU  37           HA       GLU  37  18.543  -9.049  -1.086
  200   1HB   GLU  37          2HB       GLU  37  18.295  -9.459  -3.492
  201   2HB   GLU  37          1HB       GLU  37  16.711  -9.124  -2.794
  202   1HG   GLU  37          2HG       GLU  37  17.301  -6.631  -3.460
  203   2HG   GLU  37          1HG       GLU  37  18.391  -7.416  -4.598
  204    H    GLY  38           H        GLY  38  18.752  -5.720  -2.227
  205   1HA   GLY  38          2HA       GLY  38  21.442  -5.947  -3.295
  206   2HA   GLY  38          1HA       GLY  38  20.591  -4.443  -2.949
  207    H    CYS  39           H        CYS  39  22.163  -7.137  -1.282
  208    HA   CYS  39           HA       CYS  39  23.660  -5.283   0.429
  209   1HB   CYS  39          2HB       CYS  39  21.147  -5.866   1.255
  210   2HB   CYS  39          1HB       CYS  39  22.011  -7.229   1.972
  211    H    LEU  40           H        LEU  40  22.596  -8.693   0.079
  212    HA   LEU  40           HA       LEU  40  23.803 -10.708   0.165
  213   1HB   LEU  40          2HB       LEU  40  25.896  -8.733  -0.817
  214   2HB   LEU  40          1HB       LEU  40  26.093 -10.486  -0.877
  215    HG   LEU  40           HG       LEU  40  23.628  -9.248  -2.059
  216   1HD1  LEU  40          1HD1      LEU  40  24.791  -8.140  -3.624
  217   2HD1  LEU  40          2HD1      LEU  40  25.518  -9.666  -4.131
  218   3HD1  LEU  40          3HD1      LEU  40  26.313  -8.671  -2.910
  219   1HD2  LEU  40          1HD2      LEU  40  23.317 -11.358  -2.792
  220   2HD2  LEU  40          2HD2      LEU  40  24.715 -11.844  -1.834
  221   3HD2  LEU  40          3HD2      LEU  40  24.920 -11.389  -3.526
  222    H    ARG  41           H        ARG  41  26.960 -10.027   0.759
  223    HA   ARG  41           HA       ARG  41  28.343 -10.258   2.644
  224   1HB   ARG  41          2HB       ARG  41  26.167  -8.328   3.277
  225   2HB   ARG  41          1HB       ARG  41  27.085  -8.919   4.658
  226   1HG   ARG  41          2HG       ARG  41  28.769  -7.518   4.132
  227   2HG   ARG  41          1HG       ARG  41  28.950  -8.334   2.580
  228   1HD   ARG  41          2HD       ARG  41  28.519  -5.964   2.161
  229   2HD   ARG  41          1HD       ARG  41  27.075  -6.881   1.687
  230    HE   ARG  41           HE       ARG  41  26.956  -6.129   4.486
  231   1HH1  ARG  41          1HH2      ARG  41  26.528  -4.936   1.246
  232   2HH1  ARG  41          2HH2      ARG  41  25.401  -3.708   1.714
  233   1HH2  ARG  41          1HH1      ARG  41  25.477  -4.534   5.084
  234   2HH2  ARG  41          2HH1      ARG  41  24.811  -3.485   3.880
  235    H    ARG  42           H        ARG  42  26.783 -12.538   2.202
  236    HA   ARG  42           HA       ARG  42  26.562 -13.611   4.915
  237   1HB   ARG  42          2HB       ARG  42  24.363 -12.356   4.047
  238   2HB   ARG  42          1HB       ARG  42  24.106 -13.900   3.226
  239   1HG   ARG  42          2HG       ARG  42  24.878 -14.645   5.797
  240   2HG   ARG  42          1HG       ARG  42  23.839 -13.242   6.060
  241   1HD   ARG  42          2HD       ARG  42  22.434 -15.242   6.039
  242   2HD   ARG  42          1HD       ARG  42  22.120 -14.339   4.545
  243    HE   ARG  42           HE       ARG  42  24.275 -16.041   3.945
  244   1HH1  ARG  42          1HH2      ARG  42  20.961 -16.330   4.987
  245   2HH1  ARG  42          2HH2      ARG  42  20.747 -17.893   4.275
  246   1HH2  ARG  42          1HH1      ARG  42  23.983 -18.063   3.041
  247   2HH2  ARG  42          2HH1      ARG  42  22.461 -18.878   3.171
  248    H    GLU  43           H        GLU  43  28.244 -14.285   2.670
  249    HA   GLU  43           HA       GLU  43  28.948 -16.100   1.349
  250   1HB   GLU  43          2HB       GLU  43  27.392 -17.301   3.642
  251   2HB   GLU  43          1HB       GLU  43  28.277 -18.306   2.495
  252   1HG   GLU  43          2HG       GLU  43  30.374 -17.319   3.087
  253   2HG   GLU  43          1HG       GLU  43  29.588 -15.988   3.933
  254    H    GLY  44           H        GLY  44  27.515 -15.326  -0.454
  255   1HA   GLY  44          2HA       GLY  44  25.265 -17.237  -0.953
  256   2HA   GLY  44          1HA       GLY  44  25.212 -15.548  -1.472
  257    H    GLN  45           HN       GLN  45  27.032 -18.570  -1.902
  258    HA   GLN  45           HA       GLN  45  28.249 -17.540  -4.419
  259   1HB   GLN  45          2HB       GLN  45  28.614 -19.859  -2.562
  260   2HB   GLN  45          1HB       GLN  45  29.239 -19.999  -4.206
  261   1HG   GLN  45          2HG       GLN  45  30.899 -18.471  -3.836
  262   2HG   GLN  45          1HG       GLN  45  29.862 -17.442  -2.847
  263   1HE2  GLN  45          1HE2      GLN  45  30.585 -20.921  -2.309
  264   2HE2  GLN  45          2HE2      GLN  45  31.338 -20.678  -0.802
  Start of MODEL    5
    1   1H    ALA   1          1HT       ALA   1  -1.461  39.572  10.401
    2   2H    ALA   1          2HT       ALA   1  -2.454  39.193   9.076
    3   3H    ALA   1          3HT       ALA   1  -1.905  40.782   9.300
    4    HA   ALA   1           HA       ALA   1   0.349  40.162   8.813
    5   1HB   ALA   1          1HB       ALA   1   0.189  38.000  10.000
    6   2HB   ALA   1          2HB       ALA   1   0.818  37.752   8.371
    7   3HB   ALA   1          3HB       ALA   1  -0.867  37.373   8.734
    8    H    LEU   2           H        LEU   2   0.988  38.931   6.522
    9    HA   LEU   2           HA       LEU   2  -0.765  40.169   4.536
   10   1HB   LEU   2          2HB       LEU   2   1.963  39.474   4.825
   11   2HB   LEU   2          1HB       LEU   2   1.363  38.511   3.475
   12    HG   LEU   2           HG       LEU   2   0.305  40.690   2.605
   13   1HD1  LEU   2          1HD1      LEU   2   1.369  42.763   3.391
   14   2HD1  LEU   2          2HD1      LEU   2   2.302  41.849   4.574
   15   3HD1  LEU   2          3HD1      LEU   2   0.548  41.955   4.725
   16   1HD2  LEU   2          1HD2      LEU   2   2.413  39.564   1.738
   17   2HD2  LEU   2          2HD2      LEU   2   3.330  40.666   2.766
   18   3HD2  LEU   2          3HD2      LEU   2   2.331  41.304   1.462
   19    H    ALA   3           H        ALA   3  -0.512  38.351   2.398
   20    HA   ALA   3           HA       ALA   3  -2.658  36.505   2.960
   21   1HB   ALA   3          1HB       ALA   3  -1.939  37.756   0.779
   22   2HB   ALA   3          2HB       ALA   3  -2.586  36.122   0.637
   23   3HB   ALA   3          3HB       ALA   3  -0.845  36.394   0.556
   24    H    ARG   4           H        ARG   4  -1.472  35.354   4.787
   25    HA   ARG   4           HA       ARG   4   0.716  33.549   4.052
   26   1HB   ARG   4          2HB       ARG   4  -0.903  34.205   6.509
   27   2HB   ARG   4          1HB       ARG   4   0.155  32.797   6.507
   28   1HG   ARG   4          2HG       ARG   4   1.178  35.496   5.633
   29   2HG   ARG   4          1HG       ARG   4   1.135  35.055   7.339
   30   1HD   ARG   4          2HD       ARG   4   2.302  32.979   5.574
   31   2HD   ARG   4          1HD       ARG   4   3.236  34.483   5.672
   32    HE   ARG   4           HE       ARG   4   2.358  33.730   8.307
   33   1HH1  ARG   4          1HH2      ARG   4   4.559  32.792   5.787
   34   2HH1  ARG   4          2HH2      ARG   4   5.733  32.146   6.877
   35   1HH2  ARG   4          1HH1      ARG   4   3.905  32.878   9.736
   36   2HH2  ARG   4          2HH1      ARG   4   5.363  32.192   9.111
   37    H    CYS   5           H        CYS   5  -0.180  31.241   5.584
   38    HA   CYS   5           HA       CYS   5  -2.329  30.231   3.748
   39   1HB   CYS   5          2HB       CYS   5  -0.341  29.076   3.301
   40   2HB   CYS   5          1HB       CYS   5   0.132  29.023   4.998
   41    HA   PRO   6           HA       PRO   6  -4.171  30.168   7.959
   42   1HB   PRO   6          2HB       PRO   6  -6.659  30.958   7.147
   43   2HB   PRO   6          1HB       PRO   6  -5.358  32.108   7.507
   44   1HG   PRO   6          2HG       PRO   6  -6.361  31.147   4.879
   45   2HG   PRO   6          1HG       PRO   6  -5.780  32.752   5.349
   46   1HD   PRO   6          2HD       PRO   6  -4.286  30.929   3.934
   47   2HD   PRO   6          1HD       PRO   6  -3.607  32.228   4.940
   48    H    GLY   7           H        GLY   7  -3.792  27.763   7.427
   49   1HA   GLY   7          2HA       GLY   7  -4.759  25.607   7.475
   50   2HA   GLY   7          1HA       GLY   7  -6.347  26.369   7.416
   51    H    CYS   8           H        CYS   8  -3.720  26.769   5.062
   52    HA   CYS   8           HA       CYS   8  -5.589  25.942   2.909
   53   1HB   CYS   8          2HB       CYS   8  -4.124  27.146   1.491
   54   2HB   CYS   8          1HB       CYS   8  -4.043  28.045   3.003
   55    H    GLY   9           H        GLY   9  -3.618  24.964   1.059
   56   1HA   GLY   9          2HA       GLY   9  -3.386  22.211   1.999
   57   2HA   GLY   9          1HA       GLY   9  -2.850  22.819   0.431
   58    H    GLN  10           H        GLN  10  -0.698  23.580   0.219
   59    HA   GLN  10           HA       GLN  10   1.063  23.956   2.481
   60   1HB   GLN  10          2HB       GLN  10   2.441  21.904   2.046
   61   2HB   GLN  10          1HB       GLN  10   0.810  21.515   2.587
   62   1HG   GLN  10          2HG       GLN  10   0.442  21.615  -0.121
   63   2HG   GLN  10          1HG       GLN  10   2.099  21.028  -0.035
   64   1HE2  GLN  10          1HE2      GLN  10   2.012  19.409   2.279
   65   2HE2  GLN  10          2HE2      GLN  10   0.914  18.138   2.031
   66    H    GLY  11           H        GLY  11   1.432  25.890   1.151
   67   1HA   GLY  11          2HA       GLY  11   2.490  25.651  -1.550
   68   2HA   GLY  11          1HA       GLY  11   2.438  27.128  -0.588
   69    H    VAL  12           H        VAL  12   4.114  23.958  -0.386
   70    HA   VAL  12           HA       VAL  12   6.720  25.386  -0.209
   71    HB   VAL  12           HB       VAL  12   5.740  25.157   2.082
   72   1HG1  VAL  12          1HG1      VAL  12   4.479  23.031   1.529
   73   2HG1  VAL  12          2HG1      VAL  12   5.345  23.004   3.064
   74   3HG1  VAL  12          3HG1      VAL  12   6.013  22.170   1.664
   75   1HG2  VAL  12          1HG2      VAL  12   7.692  23.889   3.081
   76   2HG2  VAL  12          2HG2      VAL  12   8.138  25.165   1.947
   77   3HG2  VAL  12          3HG2      VAL  12   8.175  23.477   1.438
   78    H    GLN  13           H        GLN  13   5.957  23.998  -2.433
   79    HA   GLN  13           HA       GLN  13   6.368  21.196  -2.519
   80   1HB   GLN  13          2HB       GLN  13   5.482  22.850  -4.278
   81   2HB   GLN  13          1HB       GLN  13   7.174  23.169  -4.660
   82   1HG   GLN  13          2HG       GLN  13   7.121  20.419  -4.649
   83   2HG   GLN  13          1HG       GLN  13   5.526  20.809  -5.292
   84   1HE2  GLN  13          1HE2      GLN  13   5.460  21.285  -7.507
   85   2HE2  GLN  13          2HE2      GLN  13   6.817  21.715  -8.437
   86    H    ALA  14           H        ALA  14   8.749  23.761  -3.304
   87    HA   ALA  14           HA       ALA  14  10.958  21.815  -3.284
   88   1HB   ALA  14          1HB       ALA  14  10.931  24.849  -3.496
   89   2HB   ALA  14          2HB       ALA  14  10.777  23.741  -4.861
   90   3HB   ALA  14          3HB       ALA  14  12.273  23.787  -3.930
   91    H    GLY  15           H        GLY  15  10.219  21.370  -0.857
   92   1HA   GLY  15          2HA       GLY  15  10.989  23.327   1.142
   93   2HA   GLY  15          1HA       GLY  15  10.631  21.626   1.449
   94    H    CYS  16           H        CYS  16  12.400  20.103   0.523
   95    HA   CYS  16           HA       CYS  16  15.106  21.303   1.004
   96   1HB   CYS  16          2HB       CYS  16  15.518  18.898   2.002
   97   2HB   CYS  16          1HB       CYS  16  14.715  20.134   2.986
   98    HA   PRO  17           HA       PRO  17  14.918  18.997  -3.026
   99   1HB   PRO  17          2HB       PRO  17  16.234  20.920  -4.483
  100   2HB   PRO  17          1HB       PRO  17  14.473  20.908  -4.246
  101   1HG   PRO  17          2HG       PRO  17  16.564  22.495  -2.837
  102   2HG   PRO  17          1HG       PRO  17  14.956  22.995  -3.386
  103   1HD   PRO  17          2HD       PRO  17  15.503  22.381  -0.804
  104   2HD   PRO  17          1HD       PRO  17  13.907  22.110  -1.542
  105    H    GLY  18           H        GLY  18  16.552  17.569  -3.408
  106   1HA   GLY  18          2HA       GLY  18  18.874  17.026  -3.878
  107   2HA   GLY  18          1HA       GLY  18  19.362  18.410  -2.900
  108    H    GLY  19           H        GLY  19  17.324  17.520  -0.760
  109   1HA   GLY  19          2HA       GLY  19  17.735  14.972   0.222
  110   2HA   GLY  19          1HA       GLY  19  19.172  15.848   0.739
  111    H    CYS  20           H        CYS  20  16.627  14.795   2.148
  112    HA   CYS  20           HA       CYS  20  15.893  17.352   3.534
  113   1HB   CYS  20          2HB       CYS  20  14.348  14.767   3.106
  114   2HB   CYS  20          1HB       CYS  20  13.754  16.150   4.021
  115    H    VAL  21           H        VAL  21  17.017  17.405   5.467
  116    HA   VAL  21           HA       VAL  21  17.714  14.873   6.857
  117    HB   VAL  21           HB       VAL  21  19.314  16.779   6.405
  118   1HG1  VAL  21          1HG1      VAL  21  18.263  18.313   8.706
  119   2HG1  VAL  21          2HG1      VAL  21  17.285  18.398   7.242
  120   3HG1  VAL  21          3HG1      VAL  21  18.980  18.885   7.199
  121   1HG2  VAL  21          1HG2      VAL  21  19.169  15.107   8.550
  122   2HG2  VAL  21          2HG2      VAL  21  19.187  16.674   9.357
  123   3HG2  VAL  21          3HG2      VAL  21  20.501  16.229   8.268
  124    H    GLU  22           H        GLU  22  14.901  15.414   6.877
  125    HA   GLU  22           HA       GLU  22  14.138  16.747   9.338
  126   1HB   GLU  22          2HB       GLU  22  12.741  15.047   7.264
  127   2HB   GLU  22          1HB       GLU  22  11.896  15.722   8.652
  128   1HG   GLU  22          2HG       GLU  22  13.453  17.813   7.477
  129   2HG   GLU  22          1HG       GLU  22  12.551  17.024   6.189
  130    H    GLU  23           H        GLU  23  14.855  13.421   8.375
  131    HA   GLU  23           HA       GLU  23  14.880  12.565  11.164
  132   1HB   GLU  23          2HB       GLU  23  12.513  12.413  10.766
  133   2HB   GLU  23          1HB       GLU  23  12.767  11.663   9.190
  134   1HG   GLU  23          2HG       GLU  23  12.398   9.720  10.344
  135   2HG   GLU  23          1HG       GLU  23  14.094   9.894  10.782
  136    H    GLU  24           H        GLU  24  16.842  11.504  11.065
  137    HA   GLU  24           HA       GLU  24  17.114   9.250   9.187
  138   1HB   GLU  24          2HB       GLU  24  18.281  11.790   8.755
  139   2HB   GLU  24          1HB       GLU  24  19.599  10.740   9.280
  140   1HG   GLU  24          2HG       GLU  24  18.998   9.091   7.557
  141   2HG   GLU  24          1HG       GLU  24  17.643  10.100   7.044
  142    H    ASP  25           H        ASP  25  18.694   7.692   9.916
  143    HA   ASP  25           HA       ASP  25  19.247   7.838  12.835
  144   1HB   ASP  25          2HB       ASP  25  18.694   5.795  10.798
  145   2HB   ASP  25          1HB       ASP  25  20.038   5.351  11.850
  146    H    GLY  26           H        GLY  26  20.979   6.868   9.858
  147   1HA   GLY  26          2HA       GLY  26  23.419   8.228  10.771
  148   2HA   GLY  26          1HA       GLY  26  23.539   6.471  10.684
  149    H    GLY  27           H        GLY  27  23.283   9.405   8.823
  150   1HA   GLY  27          2HA       GLY  27  22.700   8.406   6.247
  151   2HA   GLY  27          1HA       GLY  27  23.687   9.833   6.554
  152    H    SER  28           H        SER  28  23.736   6.458   5.738
  153    HA   SER  28           HA       SER  28  26.508   6.670   4.814
  154   1HB   SER  28          2HB       SER  28  27.192   6.176   6.967
  155   2HB   SER  28          1HB       SER  28  25.718   5.303   7.359
  156    HG   SER  28           HG       SER  28  27.841   4.437   5.668
  157    HA   PRO  29           HA       PRO  29  24.775   2.513   3.349
  158   1HB   PRO  29          2HB       PRO  29  22.670   1.330   4.627
  159   2HB   PRO  29          1HB       PRO  29  24.353   1.101   5.143
  160   1HG   PRO  29          2HG       PRO  29  22.232   2.809   6.312
  161   2HG   PRO  29          1HG       PRO  29  23.545   1.932   7.111
  162   1HD   PRO  29          2HD       PRO  29  23.529   4.650   6.602
  163   2HD   PRO  29          1HD       PRO  29  24.979   3.672   6.912
  164    H    ALA  30           H        ALA  30  23.985   4.532   2.035
  165    HA   ALA  30           HA       ALA  30  21.131   5.098   2.054
  166   1HB   ALA  30          1HB       ALA  30  22.497   6.897   1.455
  167   2HB   ALA  30          2HB       ALA  30  21.919   6.338  -0.113
  168   3HB   ALA  30          3HB       ALA  30  23.536   5.895   0.435
  169    H    GLU  31           H        GLU  31  23.201   3.858  -0.619
  170    HA   GLU  31           HA       GLU  31  20.843   2.290  -1.544
  171   1HB   GLU  31          2HB       GLU  31  22.213   4.336  -2.780
  172   2HB   GLU  31          1HB       GLU  31  22.974   2.906  -3.482
  173   1HG   GLU  31          2HG       GLU  31  20.695   2.018  -4.020
  174   2HG   GLU  31          1HG       GLU  31  20.004   3.533  -3.439
  175    H    GLY  32           H        GLY  32  24.253   2.136  -0.711
  176   1HA   GLY  32          2HA       GLY  32  25.117  -0.160  -2.055
  177   2HA   GLY  32          1HA       GLY  32  25.679   0.297  -0.449
  178    H    CYS  33           H        CYS  33  23.222  -0.003   0.967
  179    HA   CYS  33           HA       CYS  33  22.345  -2.795   0.464
  180   1HB   CYS  33          2HB       CYS  33  24.518  -2.388   2.010
  181   2HB   CYS  33          1HB       CYS  33  23.269  -2.159   3.233
  182    H    ALA  34           H        ALA  34  20.535  -0.936   0.081
  183    HA   ALA  34           HA       ALA  34  18.866  -0.939   2.564
  184   1HB   ALA  34          1HB       ALA  34  19.514   1.430   0.782
  185   2HB   ALA  34          2HB       ALA  34  20.029   1.214   2.456
  186   3HB   ALA  34          3HB       ALA  34  18.323   1.457   2.079
  187    H    GLU  35           H        GLU  35  18.740  -2.525   0.054
  188    HA   GLU  35           HA       GLU  35  16.212  -1.474  -1.166
  189   1HB   GLU  35          2HB       GLU  35  18.675  -2.573  -2.175
  190   2HB   GLU  35          1HB       GLU  35  17.355  -3.656  -2.617
  191   1HG   GLU  35          2HG       GLU  35  16.824  -0.754  -2.973
  192   2HG   GLU  35          1HG       GLU  35  18.015  -1.457  -4.064
  193    H    ALA  36           H        ALA  36  15.168  -3.766  -2.208
  194    HA   ALA  36           HA       ALA  36  14.118  -5.139   0.162
  195   1HB   ALA  36          1HB       ALA  36  12.549  -6.011  -1.378
  196   2HB   ALA  36          2HB       ALA  36  13.689  -5.941  -2.721
  197   3HB   ALA  36          3HB       ALA  36  12.978  -4.455  -2.091
  198    H    GLU  37           H        GLU  37  16.579  -5.787  -2.247
  199    HA   GLU  37           HA       GLU  37  16.735  -8.655  -1.749
  200   1HB   GLU  37          2HB       GLU  37  17.327  -7.537  -3.901
  201   2HB   GLU  37          1HB       GLU  37  18.657  -6.709  -3.086
  202   1HG   GLU  37          2HG       GLU  37  19.229  -9.257  -2.387
  203   2HG   GLU  37          1HG       GLU  37  18.423  -9.551  -3.929
  204    H    GLY  38           H        GLY  38  18.735  -5.800  -0.897
  205   1HA   GLY  38          2HA       GLY  38  19.691  -5.600   1.353
  206   2HA   GLY  38          1HA       GLY  38  19.793  -7.358   1.417
  207    H    CYS  39           H        CYS  39  21.756  -8.219   0.965
  208    HA   CYS  39           HA       CYS  39  23.601  -6.782  -0.894
  209   1HB   CYS  39          2HB       CYS  39  23.885  -7.188   2.047
  210   2HB   CYS  39          1HB       CYS  39  25.339  -7.401   1.074
  211    H    LEU  40           H        LEU  40  23.232  -9.663   1.214
  212    HA   LEU  40           HA       LEU  40  24.015 -11.876   0.937
  213   1HB   LEU  40          2HB       LEU  40  22.300 -10.946  -1.148
  214   2HB   LEU  40          1HB       LEU  40  23.454 -12.074  -1.858
  215    HG   LEU  40           HG       LEU  40  21.904 -12.672   0.675
  216   1HD1  LEU  40          1HD1      LEU  40  20.862 -14.298  -1.283
  217   2HD1  LEU  40          2HD1      LEU  40  21.084 -12.777  -2.147
  218   3HD1  LEU  40          3HD1      LEU  40  20.098 -12.825  -0.685
  219   1HD2  LEU  40          1HD2      LEU  40  23.161 -14.548   0.726
  220   2HD2  LEU  40          2HD2      LEU  40  24.114 -13.897  -0.605
  221   3HD2  LEU  40          3HD2      LEU  40  22.724 -14.929  -0.939
  222    H    ARG  41           H        ARG  41  26.183  -9.967   0.624
  223    HA   ARG  41           HA       ARG  41  28.404  -9.869  -0.191
  224   1HB   ARG  41          2HB       ARG  41  27.991 -12.262   0.729
  225   2HB   ARG  41          1HB       ARG  41  27.908 -12.745  -0.962
  226   1HG   ARG  41          2HG       ARG  41  30.198 -11.161  -0.869
  227   2HG   ARG  41          1HG       ARG  41  30.239 -12.045   0.660
  228   1HD   ARG  41          2HD       ARG  41  30.128 -14.176  -0.460
  229   2HD   ARG  41          1HD       ARG  41  29.780 -13.400  -2.018
  230    HE   ARG  41           HE       ARG  41  32.408 -13.515  -0.701
  231   1HH1  ARG  41          1HH2      ARG  41  30.358 -11.887  -3.010
  232   2HH1  ARG  41          2HH2      ARG  41  31.702 -11.289  -3.925
  233   1HH2  ARG  41          1HH1      ARG  41  34.129 -12.717  -1.917
  234   2HH2  ARG  41          2HH1      ARG  41  33.822 -11.724  -3.311
  235    H    ARG  42           H        ARG  42  26.281  -9.167  -2.139
  236    HA   ARG  42           HA       ARG  42  26.638 -10.302  -4.723
  237   1HB   ARG  42          2HB       ARG  42  25.846  -7.596  -3.658
  238   2HB   ARG  42          1HB       ARG  42  25.920  -7.882  -5.396
  239   1HG   ARG  42          2HG       ARG  42  24.527 -10.093  -4.348
  240   2HG   ARG  42          1HG       ARG  42  23.874  -8.696  -3.494
  241   1HD   ARG  42          2HD       ARG  42  24.119  -8.926  -6.522
  242   2HD   ARG  42          1HD       ARG  42  22.618  -9.114  -5.591
  243    HE   ARG  42           HE       ARG  42  23.946  -6.636  -4.904
  244   1HH1  ARG  42          1HH2      ARG  42  21.933  -8.205  -7.257
  245   2HH1  ARG  42          2HH2      ARG  42  21.232  -6.729  -7.821
  246   1HH2  ARG  42          1HH1      ARG  42  23.040  -4.710  -5.641
  247   2HH2  ARG  42          2HH1      ARG  42  21.868  -4.747  -6.907
  248    H    GLU  43           H        GLU  43  28.551  -7.844  -3.030
  249    HA   GLU  43           HA       GLU  43  30.676  -6.935  -3.505
  250   1HB   GLU  43          2HB       GLU  43  30.895  -9.504  -4.036
  251   2HB   GLU  43          1HB       GLU  43  30.927  -8.969  -5.715
  252   1HG   GLU  43          2HG       GLU  43  33.042  -8.188  -5.529
  253   2HG   GLU  43          1HG       GLU  43  32.681  -7.362  -4.013
  254    H    GLY  44           H        GLY  44  32.007  -6.235  -5.695
  255   1HA   GLY  44          2HA       GLY  44  31.988  -5.009  -7.728
  256   2HA   GLY  44          1HA       GLY  44  30.296  -5.471  -7.940
  257    H    GLN  45           HN       GLN  45  31.891  -3.705  -5.259
  258    HA   GLN  45           HA       GLN  45  30.054  -1.403  -5.823
  259   1HB   GLN  45          2HB       GLN  45  30.868  -2.687  -3.197
  260   2HB   GLN  45          1HB       GLN  45  29.925  -1.203  -3.333
  261   1HG   GLN  45          2HG       GLN  45  28.449  -2.777  -4.948
  262   2HG   GLN  45          1HG       GLN  45  29.112  -4.016  -3.883
  263   1HE2  GLN  45          1HE2      GLN  45  28.981  -3.268  -1.396
  264   2HE2  GLN  45          2HE2      GLN  45  27.497  -2.582  -0.943
  Start of MODEL    6
    1   1H    ALA   1          1HT       ALA   1  46.163   4.203  30.075
    2   2H    ALA   1          2HT       ALA   1  46.270   4.154  31.770
    3   3H    ALA   1          3HT       ALA   1  45.240   3.088  30.946
    4    HA   ALA   1           HA       ALA   1  47.149   1.993  29.916
    5   1HB   ALA   1          1HB       ALA   1  48.440   4.208  30.036
    6   2HB   ALA   1          2HB       ALA   1  49.369   2.769  30.461
    7   3HB   ALA   1          3HB       ALA   1  48.749   3.823  31.730
    8    H    LEU   2           H        LEU   2  47.918   0.126  31.025
    9    HA   LEU   2           HA       LEU   2  48.024  -1.473  32.758
   10   1HB   LEU   2          2HB       LEU   2  48.612   1.186  33.999
   11   2HB   LEU   2          1HB       LEU   2  48.292  -0.150  35.098
   12    HG   LEU   2           HG       LEU   2  50.696   0.002  34.650
   13   1HD1  LEU   2          1HD1      LEU   2  51.067  -2.267  34.238
   14   2HD1  LEU   2          2HD1      LEU   2  49.790  -2.359  33.026
   15   3HD1  LEU   2          3HD1      LEU   2  49.375  -2.263  34.737
   16   1HD2  LEU   2          1HD2      LEU   2  50.110  -0.605  31.746
   17   2HD2  LEU   2          2HD2      LEU   2  51.631  -0.082  32.469
   18   3HD2  LEU   2          3HD2      LEU   2  50.288   1.051  32.327
   19    H    ALA   3           H        ALA   3  46.901  -1.667  35.235
   20    HA   ALA   3           HA       ALA   3  44.150  -0.629  35.173
   21   1HB   ALA   3          1HB       ALA   3  43.835  -2.536  33.817
   22   2HB   ALA   3          2HB       ALA   3  43.397  -3.111  35.426
   23   3HB   ALA   3          3HB       ALA   3  44.982  -3.496  34.753
   24    H    ARG   4           H        ARG   4  45.264  -3.550  36.842
   25    HA   ARG   4           HA       ARG   4  45.307  -4.048  39.148
   26   1HB   ARG   4          2HB       ARG   4  46.989  -1.710  38.525
   27   2HB   ARG   4          1HB       ARG   4  46.567  -1.841  40.233
   28   1HG   ARG   4          2HG       ARG   4  47.218  -4.354  39.964
   29   2HG   ARG   4          1HG       ARG   4  48.052  -3.815  38.507
   30   1HD   ARG   4          2HD       ARG   4  48.529  -2.255  41.022
   31   2HD   ARG   4          1HD       ARG   4  49.312  -3.839  40.868
   32    HE   ARG   4           HE       ARG   4  49.921  -1.470  39.269
   33   1HH1  ARG   4          1HH2      ARG   4  49.875  -4.949  39.356
   34   2HH1  ARG   4          2HH2      ARG   4  51.122  -5.120  38.172
   35   1HH2  ARG   4          1HH1      ARG   4  51.556  -1.703  37.728
   36   2HH2  ARG   4          2HH1      ARG   4  52.090  -3.281  37.269
   37    H    CYS   5           H        CYS   5  42.829  -2.776  38.297
   38    HA   CYS   5           HA       CYS   5  42.166  -1.018  40.617
   39   1HB   CYS   5          2HB       CYS   5  40.129  -0.535  39.240
   40   2HB   CYS   5          1HB       CYS   5  41.628  -0.156  38.400
   41    HA   PRO   6           HA       PRO   6  40.399  -4.774  42.284
   42   1HB   PRO   6          2HB       PRO   6  39.583  -3.686  44.670
   43   2HB   PRO   6          1HB       PRO   6  41.257  -4.169  44.334
   44   1HG   PRO   6          2HG       PRO   6  40.024  -1.466  44.305
   45   2HG   PRO   6          1HG       PRO   6  41.634  -1.967  44.844
   46   1HD   PRO   6          2HD       PRO   6  41.155  -0.754  42.440
   47   2HD   PRO   6          1HD       PRO   6  42.523  -1.853  42.739
   48    H    GLY   7           H        GLY   7  38.565  -1.721  42.857
   49   1HA   GLY   7          2HA       GLY   7  36.083  -3.251  42.231
   50   2HA   GLY   7          1HA       GLY   7  36.132  -1.798  43.222
   51    H    CYS   8           H        CYS   8  37.198  -2.708  39.911
   52    HA   CYS   8           HA       CYS   8  36.056  -0.092  38.986
   53   1HB   CYS   8          2HB       CYS   8  37.646  -0.453  37.044
   54   2HB   CYS   8          1HB       CYS   8  38.434  -0.257  38.605
   55    H    GLY   9           H        GLY   9  36.139  -3.571  38.300
   56   1HA   GLY   9          2HA       GLY   9  34.828  -4.899  36.875
   57   2HA   GLY   9          1HA       GLY   9  33.527  -3.819  37.360
   58    H    GLN  10           H        GLN  10  36.350  -2.752  35.512
   59    HA   GLN  10           HA       GLN  10  36.463  -1.704  33.399
   60   1HB   GLN  10          2HB       GLN  10  34.536  -4.008  32.911
   61   2HB   GLN  10          1HB       GLN  10  35.353  -3.107  31.634
   62   1HG   GLN  10          2HG       GLN  10  37.544  -3.762  32.568
   63   2HG   GLN  10          1HG       GLN  10  36.725  -4.679  33.836
   64   1HE2  GLN  10          1HE2      GLN  10  36.388  -6.854  33.344
   65   2HE2  GLN  10          2HE2      GLN  10  36.336  -7.500  31.777
   66    H    GLY  11           H        GLY  11  34.618  -0.397  35.145
   67   1HA   GLY  11          2HA       GLY  11  31.991   0.005  34.298
   68   2HA   GLY  11          1HA       GLY  11  32.981   1.294  34.976
   69    H    VAL  12           H        VAL  12  34.860   1.743  33.036
   70    HA   VAL  12           HA       VAL  12  33.264   2.334  30.570
   71    HB   VAL  12           HB       VAL  12  33.544   4.276  32.134
   72   1HG1  VAL  12          1HG1      VAL  12  36.478   4.192  31.424
   73   2HG1  VAL  12          2HG1      VAL  12  35.857   3.478  32.913
   74   3HG1  VAL  12          3HG1      VAL  12  35.675   5.207  32.618
   75   1HG2  VAL  12          1HG2      VAL  12  34.193   5.854  30.438
   76   2HG2  VAL  12          2HG2      VAL  12  33.391   4.515  29.618
   77   3HG2  VAL  12          3HG2      VAL  12  35.150   4.637  29.591
   78    H    GLN  13           H        GLN  13  34.736   0.054  30.534
   79    HA   GLN  13           HA       GLN  13  37.507   0.396  29.805
   80   1HB   GLN  13          2HB       GLN  13  37.285  -1.986  29.125
   81   2HB   GLN  13          1HB       GLN  13  36.568  -1.696  30.706
   82   1HG   GLN  13          2HG       GLN  13  34.480  -2.216  29.983
   83   2HG   GLN  13          1HG       GLN  13  34.680  -1.327  28.475
   84   1HE2  GLN  13          1HE2      GLN  13  33.440  -3.842  28.360
   85   2HE2  GLN  13          2HE2      GLN  13  34.481  -4.958  27.619
   86    H    ALA  14           H        ALA  14  38.425   0.566  27.732
   87    HA   ALA  14           HA       ALA  14  36.515   0.914  25.441
   88   1HB   ALA  14          1HB       ALA  14  39.161   2.320  25.945
   89   2HB   ALA  14          2HB       ALA  14  37.593   2.991  26.393
   90   3HB   ALA  14          3HB       ALA  14  37.974   2.707  24.696
   91    H    GLY  15           H        GLY  15  36.972  -0.388  23.696
   92   1HA   GLY  15          2HA       GLY  15  39.131  -2.313  23.827
   93   2HA   GLY  15          1HA       GLY  15  38.016  -2.110  22.473
   94    H    CYS  16           H        CYS  16  38.426   0.380  21.555
   95    HA   CYS  16           HA       CYS  16  41.357   0.422  20.856
   96   1HB   CYS  16          2HB       CYS  16  39.019   1.542  19.274
   97   2HB   CYS  16          1HB       CYS  16  40.642   1.175  18.693
   98    HA   PRO  17           HA       PRO  17  41.122   4.367  22.994
   99   1HB   PRO  17          2HB       PRO  17  43.777   5.011  22.676
  100   2HB   PRO  17          1HB       PRO  17  43.190   3.867  23.899
  101   1HG   PRO  17          2HG       PRO  17  44.451   3.336  21.254
  102   2HG   PRO  17          1HG       PRO  17  44.666   2.489  22.793
  103   1HD   PRO  17          2HD       PRO  17  43.118   1.560  20.750
  104   2HD   PRO  17          1HD       PRO  17  42.834   1.162  22.464
  105    H    GLY  18           H        GLY  18  39.811   5.007  20.971
  106   1HA   GLY  18          2HA       GLY  18  39.952   7.315  19.849
  107   2HA   GLY  18          1HA       GLY  18  41.448   6.714  19.137
  108    H    GLY  19           H        GLY  19  40.704   4.127  18.412
  109   1HA   GLY  19          2HA       GLY  19  38.288   3.595  17.209
  110   2HA   GLY  19          1HA       GLY  19  39.096   4.673  16.061
  111    H    CYS  20           H        CYS  20  38.452   1.767  15.871
  112    HA   CYS  20           HA       CYS  20  41.192   0.597  15.638
  113   1HB   CYS  20          2HB       CYS  20  38.462  -0.368  16.270
  114   2HB   CYS  20          1HB       CYS  20  39.361  -1.413  15.169
  115    H    VAL  21           H        VAL  21  41.328  -0.946  13.663
  116    HA   VAL  21           HA       VAL  21  40.696   0.589  11.245
  117    HB   VAL  21           HB       VAL  21  41.852  -2.214  11.497
  118   1HG1  VAL  21          1HG1      VAL  21  41.395  -1.638   9.212
  119   2HG1  VAL  21          2HG1      VAL  21  43.122  -1.364   9.449
  120   3HG1  VAL  21          3HG1      VAL  21  42.007   0.001   9.439
  121   1HG2  VAL  21          1HG2      VAL  21  44.038  -0.702  11.269
  122   2HG2  VAL  21          2HG2      VAL  21  43.357  -1.082  12.852
  123   3HG2  VAL  21          3HG2      VAL  21  43.016   0.474  12.091
  124    H    GLU  22           H        GLU  22  38.250   0.205  12.102
  125    HA   GLU  22           HA       GLU  22  37.160  -2.095  10.571
  126   1HB   GLU  22          2HB       GLU  22  36.670  -1.054  13.351
  127   2HB   GLU  22          1HB       GLU  22  35.380  -1.898  12.506
  128   1HG   GLU  22          2HG       GLU  22  38.022  -3.234  12.398
  129   2HG   GLU  22          1HG       GLU  22  37.294  -3.150  14.001
  130    H    GLU  23           H        GLU  23  37.526   0.666   9.670
  131    HA   GLU  23           HA       GLU  23  35.131   2.205   9.982
  132   1HB   GLU  23          2HB       GLU  23  37.352   2.182   7.912
  133   2HB   GLU  23          1HB       GLU  23  36.133   3.453   8.038
  134   1HG   GLU  23          2HG       GLU  23  36.849   4.010  10.285
  135   2HG   GLU  23          1HG       GLU  23  37.944   2.630  10.325
  136    H    GLU  24           H        GLU  24  33.671   2.749   8.077
  137    HA   GLU  24           HA       GLU  24  32.423   0.362   7.060
  138   1HB   GLU  24          2HB       GLU  24  30.943   2.021   5.938
  139   2HB   GLU  24          1HB       GLU  24  31.207   2.405   7.638
  140   1HG   GLU  24          2HG       GLU  24  33.253   3.618   5.959
  141   2HG   GLU  24          1HG       GLU  24  31.640   4.120   5.456
  142    H    ASP  25           H        ASP  25  32.090  -0.142   4.784
  143    HA   ASP  25           HA       ASP  25  34.529   0.086   3.183
  144   1HB   ASP  25          2HB       ASP  25  33.515  -2.009   3.016
  145   2HB   ASP  25          1HB       ASP  25  31.889  -1.339   3.099
  146    H    GLY  26           H        GLY  26  31.103   0.757   2.360
  147   1HA   GLY  26          2HA       GLY  26  31.413   3.459   1.594
  148   2HA   GLY  26          1HA       GLY  26  31.752   2.482   0.168
  149    H    GLY  27           H        GLY  27  29.256   3.251   2.561
  150   1HA   GLY  27          2HA       GLY  27  27.048   3.527   1.070
  151   2HA   GLY  27          1HA       GLY  27  27.217   1.772   1.004
  152    H    SER  28           H        SER  28  25.465   4.004   2.536
  153    HA   SER  28           HA       SER  28  25.769   2.966   5.296
  154   1HB   SER  28          2HB       SER  28  25.079   5.394   4.107
  155   2HB   SER  28          1HB       SER  28  23.564   4.802   4.768
  156    HG   SER  28           HG       SER  28  24.617   5.925   6.375
  157    HA   PRO  29           HA       PRO  29  22.368   0.165   4.850
  158   1HB   PRO  29          2HB       PRO  29  21.747  -0.186   7.481
  159   2HB   PRO  29          1HB       PRO  29  23.197  -0.875   6.729
  160   1HG   PRO  29          2HG       PRO  29  22.931   1.463   8.522
  161   2HG   PRO  29          1HG       PRO  29  24.272   0.325   8.338
  162   1HD   PRO  29          2HD       PRO  29  24.156   2.901   7.275
  163   2HD   PRO  29          1HD       PRO  29  25.281   1.616   6.784
  164    H    ALA  30           H        ALA  30  21.857   3.318   5.283
  165    HA   ALA  30           HA       ALA  30  18.954   2.997   5.860
  166   1HB   ALA  30          1HB       ALA  30  19.618   4.182   7.726
  167   2HB   ALA  30          2HB       ALA  30  19.463   5.545   6.616
  168   3HB   ALA  30          3HB       ALA  30  21.046   4.831   6.918
  169    H    GLU  31           H        GLU  31  20.867   3.356   3.344
  170    HA   GLU  31           HA       GLU  31  18.999   5.020   1.849
  171   1HB   GLU  31          2HB       GLU  31  21.227   6.368   1.122
  172   2HB   GLU  31          1HB       GLU  31  20.197   6.905   2.444
  173   1HG   GLU  31          2HG       GLU  31  21.875   6.605   3.933
  174   2HG   GLU  31          1HG       GLU  31  22.108   4.941   3.402
  175    H    GLY  32           H        GLY  32  22.452   4.305   1.291
  176   1HA   GLY  32          2HA       GLY  32  21.964   3.273  -1.352
  177   2HA   GLY  32          1HA       GLY  32  23.483   3.122  -0.468
  178    H    CYS  33           H        CYS  33  22.991   1.584   1.651
  179    HA   CYS  33           HA       CYS  33  22.265  -1.023   0.453
  180   1HB   CYS  33          2HB       CYS  33  24.281  -0.392   1.992
  181   2HB   CYS  33          1HB       CYS  33  23.109  -0.507   3.303
  182    H    ALA  34           H        ALA  34  19.927  -0.235   0.286
  183    HA   ALA  34           HA       ALA  34  18.435  -1.122   2.704
  184   1HB   ALA  34          1HB       ALA  34  16.975   0.952   2.401
  185   2HB   ALA  34          2HB       ALA  34  18.223   1.567   1.317
  186   3HB   ALA  34          3HB       ALA  34  18.601   1.257   3.012
  187    H    GLU  35           H        GLU  35  18.722  -2.606   0.382
  188    HA   GLU  35           HA       GLU  35  16.201  -2.155  -1.171
  189   1HB   GLU  35          2HB       GLU  35  18.653  -3.852  -1.760
  190   2HB   GLU  35          1HB       GLU  35  17.329  -3.513  -2.877
  191   1HG   GLU  35          2HG       GLU  35  17.952  -0.976  -2.289
  192   2HG   GLU  35          1HG       GLU  35  19.523  -1.699  -1.938
  193    H    ALA  36           H        ALA  36  15.549  -4.581  -2.103
  194    HA   ALA  36           HA       ALA  36  14.779  -6.096   0.324
  195   1HB   ALA  36          1HB       ALA  36  13.124  -7.013  -1.101
  196   2HB   ALA  36          2HB       ALA  36  14.086  -6.726  -2.550
  197   3HB   ALA  36          3HB       ALA  36  13.323  -5.372  -1.713
  198    H    GLU  37           H        GLU  37  17.410  -6.208  -1.760
  199    HA   GLU  37           HA       GLU  37  17.701  -9.155  -1.432
  200   1HB   GLU  37          2HB       GLU  37  18.071  -7.282  -3.639
  201   2HB   GLU  37          1HB       GLU  37  19.451  -8.359  -3.419
  202   1HG   GLU  37          2HG       GLU  37  18.253  -9.911  -4.554
  203   2HG   GLU  37          1HG       GLU  37  17.226 -10.028  -3.125
  204    H    GLY  38           H        GLY  38  18.475  -7.061   0.523
  205   1HA   GLY  38          2HA       GLY  38  20.262  -6.689   1.991
  206   2HA   GLY  38          1HA       GLY  38  21.089  -8.031   1.196
  207    H    CYS  39           H        CYS  39  22.942  -7.443   0.202
  208    HA   CYS  39           HA       CYS  39  23.075  -4.920  -1.348
  209   1HB   CYS  39          2HB       CYS  39  24.074  -5.283   1.343
  210   2HB   CYS  39          1HB       CYS  39  25.411  -4.944   0.247
  211    H    LEU  40           H        LEU  40  23.435  -7.977  -1.752
  212    HA   LEU  40           HA       LEU  40  25.942  -7.706  -3.282
  213   1HB   LEU  40          2HB       LEU  40  26.386 -10.196  -2.473
  214   2HB   LEU  40          1HB       LEU  40  26.923  -8.834  -1.511
  215    HG   LEU  40           HG       LEU  40  25.745 -10.760  -0.293
  216   1HD1  LEU  40          1HD1      LEU  40  24.149  -8.762   0.780
  217   2HD1  LEU  40          2HD1      LEU  40  25.477  -7.883   0.025
  218   3HD1  LEU  40          3HD1      LEU  40  25.815  -9.123   1.229
  219   1HD2  LEU  40          1HD2      LEU  40  23.124 -10.006  -0.330
  220   2HD2  LEU  40          2HD2      LEU  40  23.776 -11.372  -1.231
  221   3HD2  LEU  40          3HD2      LEU  40  23.555  -9.820  -2.024
  222    H    ARG  41           H        ARG  41  26.201  -9.739  -4.773
  223    HA   ARG  41           HA       ARG  41  25.319 -10.827  -6.679
  224   1HB   ARG  41          2HB       ARG  41  24.374 -11.878  -4.246
  225   2HB   ARG  41          1HB       ARG  41  22.957 -11.823  -5.300
  226   1HG   ARG  41          2HG       ARG  41  25.504 -12.853  -6.482
  227   2HG   ARG  41          1HG       ARG  41  24.661 -13.894  -5.334
  228   1HD   ARG  41          2HD       ARG  41  23.210 -14.484  -6.962
  229   2HD   ARG  41          1HD       ARG  41  22.690 -12.792  -7.100
  230    HE   ARG  41           HE       ARG  41  25.106 -12.823  -8.453
  231   1HH1  ARG  41          1HH2      ARG  41  22.157 -14.668  -8.628
  232   2HH1  ARG  41          2HH2      ARG  41  22.342 -15.019 -10.309
  233   1HH2  ARG  41          1HH1      ARG  41  25.322 -13.273 -10.650
  234   2HH2  ARG  41          2HH1      ARG  41  24.116 -14.226 -11.456
  235    H    ARG  42           H        ARG  42  24.423  -8.055  -6.407
  236    HA   ARG  42           HA       ARG  42  21.595  -8.113  -7.219
  237   1HB   ARG  42          2HB       ARG  42  23.263  -6.371  -5.759
  238   2HB   ARG  42          1HB       ARG  42  22.929  -5.513  -7.264
  239   1HG   ARG  42          2HG       ARG  42  20.690  -6.845  -5.761
  240   2HG   ARG  42          1HG       ARG  42  21.273  -5.259  -5.250
  241   1HD   ARG  42          2HD       ARG  42  20.967  -5.257  -8.120
  242   2HD   ARG  42          1HD       ARG  42  19.449  -5.801  -7.380
  243    HE   ARG  42           HE       ARG  42  20.067  -3.693  -5.772
  244   1HH1  ARG  42          1HH2      ARG  42  20.171  -4.028  -9.266
  245   2HH1  ARG  42          2HH2      ARG  42  19.908  -2.334  -9.534
  246   1HH2  ARG  42          1HH1      ARG  42  19.703  -1.521  -6.192
  247   2HH2  ARG  42          2HH1      ARG  42  19.555  -0.974  -7.839
  248    H    GLU  43           H        GLU  43  23.109  -9.388  -9.113
  249    HA   GLU  43           HA       GLU  43  23.081  -7.475 -11.370
  250   1HB   GLU  43          2HB       GLU  43  25.220  -8.627 -12.145
  251   2HB   GLU  43          1HB       GLU  43  25.401  -7.650 -10.695
  252   1HG   GLU  43          2HG       GLU  43  26.337  -9.500  -9.770
  253   2HG   GLU  43          1HG       GLU  43  24.695 -10.108  -9.659
  254    H    GLY  44           H        GLY  44  22.720  -8.549 -13.425
  255   1HA   GLY  44          2HA       GLY  44  22.160 -11.440 -13.460
  256   2HA   GLY  44          1HA       GLY  44  20.752 -10.406 -13.704
  257    H    GLN  45           HN       GLN  45  24.090  -9.886 -14.833
  258    HA   GLN  45           HA       GLN  45  23.411 -10.541 -17.614
  259   1HB   GLN  45          2HB       GLN  45  23.999  -8.092 -18.244
  260   2HB   GLN  45          1HB       GLN  45  22.388  -8.400 -17.603
  261   1HG   GLN  45          2HG       GLN  45  22.770  -7.026 -15.845
  262   2HG   GLN  45          1HG       GLN  45  24.247  -7.894 -15.428
  263   1HE2  GLN  45          1HE2      GLN  45  26.258  -7.232 -16.630
  264   2HE2  GLN  45          2HE2      GLN  45  26.394  -5.636 -17.203
  Start of MODEL    7
    1   1H    ALA   1          1HT       ALA   1 -19.112  14.911  20.278
    2   2H    ALA   1          2HT       ALA   1 -20.595  14.480  20.987
    3   3H    ALA   1          3HT       ALA   1 -19.746  13.354  20.043
    4    HA   ALA   1           HA       ALA   1 -17.983  13.241  21.657
    5   1HB   ALA   1          1HB       ALA   1 -18.138  15.621  22.296
    6   2HB   ALA   1          2HB       ALA   1 -18.255  14.601  23.729
    7   3HB   ALA   1          3HB       ALA   1 -19.712  15.323  23.043
    8    H    LEU   2           H        LEU   2 -18.212  11.665  23.346
    9    HA   LEU   2           HA       LEU   2 -19.261   9.948  24.563
   10   1HB   LEU   2          2HB       LEU   2 -20.319  12.311  25.333
   11   2HB   LEU   2          1HB       LEU   2 -21.778  11.520  24.741
   12    HG   LEU   2           HG       LEU   2 -20.956   9.484  26.166
   13   1HD1  LEU   2          1HD1      LEU   2 -19.531  11.768  27.559
   14   2HD1  LEU   2          2HD1      LEU   2 -18.723  10.520  26.612
   15   3HD1  LEU   2          3HD1      LEU   2 -19.592  10.086  28.082
   16   1HD2  LEU   2          1HD2      LEU   2 -21.908  12.000  27.575
   17   2HD2  LEU   2          2HD2      LEU   2 -22.179  10.334  28.088
   18   3HD2  LEU   2          3HD2      LEU   2 -22.951  10.941  26.625
   19    H    ALA   3           H        ALA   3 -19.361   8.620  22.610
   20    HA   ALA   3           HA       ALA   3 -20.483   7.154  21.155
   21   1HB   ALA   3          1HB       ALA   3 -21.877   7.106  23.347
   22   2HB   ALA   3          2HB       ALA   3 -22.633   6.497  21.879
   23   3HB   ALA   3          3HB       ALA   3 -23.036   8.110  22.458
   24    H    ARG   4           H        ARG   4 -22.440   7.159  19.515
   25    HA   ARG   4           HA       ARG   4 -23.584   9.614  18.584
   26   1HB   ARG   4          2HB       ARG   4 -21.100   9.955  18.175
   27   2HB   ARG   4          1HB       ARG   4 -21.189   8.650  16.998
   28   1HG   ARG   4          2HG       ARG   4 -21.412  10.804  15.865
   29   2HG   ARG   4          1HG       ARG   4 -22.931   9.916  15.759
   30   1HD   ARG   4          2HD       ARG   4 -24.018  11.332  17.274
   31   2HD   ARG   4          1HD       ARG   4 -22.501  11.843  18.034
   32    HE   ARG   4           HE       ARG   4 -22.351  12.638  15.331
   33   1HH1  ARG   4          1HH2      ARG   4 -24.335  13.275  18.131
   34   2HH1  ARG   4          2HH2      ARG   4 -24.729  14.882  17.638
   35   1HH2  ARG   4          1HH1      ARG   4 -22.875  14.715  14.694
   36   2HH2  ARG   4          2HH1      ARG   4 -23.906  15.686  15.686
   37    H    CYS   5           H        CYS   5 -22.071   6.697  17.105
   38    HA   CYS   5           HA       CYS   5 -24.782   5.941  16.076
   39   1HB   CYS   5          2HB       CYS   5 -22.940   7.135  14.563
   40   2HB   CYS   5          1HB       CYS   5 -22.368   5.476  14.389
   41    HA   PRO   6           HA       PRO   6 -22.885   2.446  18.367
   42   1HB   PRO   6          2HB       PRO   6 -25.332   1.516  19.213
   43   2HB   PRO   6          1HB       PRO   6 -24.417   2.778  20.064
   44   1HG   PRO   6          2HG       PRO   6 -26.671   3.059  18.122
   45   2HG   PRO   6          1HG       PRO   6 -26.407   3.894  19.666
   46   1HD   PRO   6          2HD       PRO   6 -25.833   5.094  17.321
   47   2HD   PRO   6          1HD       PRO   6 -24.826   5.331  18.775
   48    H    GLY   7           H        GLY   7 -22.276   1.293  16.448
   49   1HA   GLY   7          2HA       GLY   7 -22.531  -0.739  15.215
   50   2HA   GLY   7          1HA       GLY   7 -24.256  -0.708  15.557
   51    H    CYS   8           H        CYS   8 -23.054   2.315  14.391
   52    HA   CYS   8           HA       CYS   8 -23.628   1.576  11.564
   53   1HB   CYS   8          2HB       CYS   8 -25.154   3.659  11.535
   54   2HB   CYS   8          1HB       CYS   8 -25.786   2.222  12.334
   55    H    GLY   9           H        GLY   9 -23.170   3.583  10.124
   56   1HA   GLY   9          2HA       GLY   9 -21.918   5.631   9.754
   57   2HA   GLY   9          1HA       GLY   9 -21.106   5.380  11.305
   58    H    GLN  10           H        GLN  10 -20.519   5.285   8.077
   59    HA   GLN  10           HA       GLN  10 -18.955   2.828   7.921
   60   1HB   GLN  10          2HB       GLN  10 -19.401   5.234   6.139
   61   2HB   GLN  10          1HB       GLN  10 -18.336   3.905   5.679
   62   1HG   GLN  10          2HG       GLN  10 -20.717   2.691   6.594
   63   2HG   GLN  10          1HG       GLN  10 -21.229   4.027   5.562
   64   1HE2  GLN  10          1HE2      GLN  10 -19.495   0.942   5.593
   65   2HE2  GLN  10          2HE2      GLN  10 -19.347   0.808   3.907
   66    H    GLY  11           H        GLY  11 -17.965   4.233  10.097
   67   1HA   GLY  11          2HA       GLY  11 -15.577   5.742   9.183
   68   2HA   GLY  11          1HA       GLY  11 -16.107   5.575  10.857
   69    H    VAL  12           H        VAL  12 -15.198   3.326   8.214
   70    HA   VAL  12           HA       VAL  12 -13.352   1.964  10.143
   71    HB   VAL  12           HB       VAL  12 -15.081   0.606   8.044
   72   1HG1  VAL  12          1HG1      VAL  12 -13.326  -0.294  10.326
   73   2HG1  VAL  12          2HG1      VAL  12 -13.327  -0.847   8.652
   74   3HG1  VAL  12          3HG1      VAL  12 -14.628  -1.326   9.741
   75   1HG2  VAL  12          1HG2      VAL  12 -15.650   1.318  10.922
   76   2HG2  VAL  12          2HG2      VAL  12 -16.367  -0.125  10.206
   77   3HG2  VAL  12          3HG2      VAL  12 -16.711   1.462   9.519
   78    H    GLN  13           H        GLN  13 -12.048   3.710   8.704
   79    HA   GLN  13           HA       GLN  13 -11.036   2.298   6.285
   80   1HB   GLN  13          2HB       GLN  13 -12.332   4.455   5.985
   81   2HB   GLN  13          1HB       GLN  13 -11.032   5.274   6.854
   82   1HG   GLN  13          2HG       GLN  13  -9.657   3.789   4.965
   83   2HG   GLN  13          1HG       GLN  13 -11.101   4.291   4.084
   84   1HE2  GLN  13          1HE2      GLN  13  -8.060   5.272   4.318
   85   2HE2  GLN  13          2HE2      GLN  13  -8.245   6.959   4.362
   86    H    ALA  14           H        ALA  14  -9.222   1.293   7.115
   87    HA   ALA  14           HA       ALA  14  -7.144   3.057   8.351
   88   1HB   ALA  14          1HB       ALA  14  -6.665   0.839   9.712
   89   2HB   ALA  14          2HB       ALA  14  -8.339   0.458   9.304
   90   3HB   ALA  14          3HB       ALA  14  -7.964   1.910  10.230
   91    H    GLY  15           H        GLY  15  -7.275  -0.428   7.555
   92   1HA   GLY  15          2HA       GLY  15  -6.227  -0.933   5.206
   93   2HA   GLY  15          1HA       GLY  15  -4.855  -0.036   5.852
   94    H    CYS  16           H        CYS  16  -4.383  -0.895   8.282
   95    HA   CYS  16           HA       CYS  16  -3.560  -3.689   7.933
   96   1HB   CYS  16          2HB       CYS  16  -3.410  -1.994  10.439
   97   2HB   CYS  16          1HB       CYS  16  -2.326  -3.305   9.958
   98    HA   PRO  17           HA       PRO  17  -7.073  -5.548   9.848
   99   1HB   PRO  17          2HB       PRO  17  -5.907  -7.777  10.960
  100   2HB   PRO  17          1HB       PRO  17  -6.240  -7.608   9.223
  101   1HG   PRO  17          2HG       PRO  17  -3.686  -7.195  10.708
  102   2HG   PRO  17          1HG       PRO  17  -3.966  -7.989   9.148
  103   1HD   PRO  17          2HD       PRO  17  -3.003  -5.474   9.325
  104   2HD   PRO  17          1HD       PRO  17  -4.066  -5.992   7.992
  105    H    GLY  18           H        GLY  18  -4.190  -4.880  11.757
  106   1HA   GLY  18          2HA       GLY  18  -5.562  -3.719  13.936
  107   2HA   GLY  18          1HA       GLY  18  -5.283  -5.410  14.358
  108    H    GLY  19           H        GLY  19  -3.677  -2.377  13.536
  109   1HA   GLY  19          2HA       GLY  19  -1.670  -1.628  14.617
  110   2HA   GLY  19          1HA       GLY  19  -1.312  -3.302  15.053
  111    H    CYS  20           H        CYS  20   0.231  -1.161  13.518
  112    HA   CYS  20           HA       CYS  20   1.067  -2.958  11.284
  113   1HB   CYS  20          2HB       CYS  20  -0.392  -0.510  11.055
  114   2HB   CYS  20          1HB       CYS  20   1.219  -0.246  10.390
  115    H    VAL  21           H        VAL  21   3.137  -3.373  11.896
  116    HA   VAL  21           HA       VAL  21   4.781  -1.220  13.131
  117    HB   VAL  21           HB       VAL  21   5.506  -4.138  12.727
  118   1HG1  VAL  21          1HG1      VAL  21   7.274  -2.566  13.488
  119   2HG1  VAL  21          2HG1      VAL  21   6.875  -3.754  14.727
  120   3HG1  VAL  21          3HG1      VAL  21   6.260  -2.107  14.857
  121   1HG2  VAL  21          1HG2      VAL  21   4.617  -4.232  15.217
  122   2HG2  VAL  21          2HG2      VAL  21   3.484  -4.420  13.877
  123   3HG2  VAL  21          3HG2      VAL  21   3.625  -2.869  14.706
  124    H    GLU  22           H        GLU  22   4.306  -0.777  10.395
  125    HA   GLU  22           HA       GLU  22   6.566  -1.831   8.851
  126   1HB   GLU  22          2HB       GLU  22   4.338   0.139   8.264
  127   2HB   GLU  22          1HB       GLU  22   5.467  -0.484   7.066
  128   1HG   GLU  22          2HG       GLU  22   4.615  -2.823   8.140
  129   2HG   GLU  22          1HG       GLU  22   3.169  -1.837   8.373
  130    H    GLU  23           H        GLU  23   5.706   1.072  10.622
  131    HA   GLU  23           HA       GLU  23   6.908   3.024  11.132
  132   1HB   GLU  23          2HB       GLU  23   8.610   0.868  11.221
  133   2HB   GLU  23          1HB       GLU  23   9.453   1.930  10.093
  134   1HG   GLU  23          2HG       GLU  23  10.275   2.735  12.115
  135   2HG   GLU  23          1HG       GLU  23   8.867   3.777  11.911
  136    H    GLU  24           H        GLU  24   9.132   4.156   9.795
  137    HA   GLU  24           HA       GLU  24   8.046   4.662   7.072
  138   1HB   GLU  24          2HB       GLU  24   8.029   6.348   9.245
  139   2HB   GLU  24          1HB       GLU  24   9.529   6.817   8.448
  140   1HG   GLU  24          2HG       GLU  24   8.378   7.954   6.888
  141   2HG   GLU  24          1HG       GLU  24   7.493   6.497   6.446
  142    H    ASP  25           H        ASP  25  10.246   6.494   6.449
  143    HA   ASP  25           HA       ASP  25  12.292   4.504   5.739
  144   1HB   ASP  25          2HB       ASP  25  11.275   7.011   4.781
  145   2HB   ASP  25          1HB       ASP  25  13.005   7.198   5.061
  146    H    GLY  26           H        GLY  26  14.420   4.491   6.537
  147   1HA   GLY  26          2HA       GLY  26  14.880   5.622   9.159
  148   2HA   GLY  26          1HA       GLY  26  16.090   4.798   8.171
  149    H    GLY  27           H        GLY  27  15.243   6.865   5.966
  150   1HA   GLY  27          2HA       GLY  27  15.592   9.344   5.866
  151   2HA   GLY  27          1HA       GLY  27  16.866   9.131   7.073
  152    H    SER  28           H        SER  28  18.921   8.813   6.334
  153    HA   SER  28           HA       SER  28  19.269   8.250   3.405
  154   1HB   SER  28          2HB       SER  28  21.644   9.325   4.333
  155   2HB   SER  28          1HB       SER  28  20.362  10.240   3.555
  156    HG   SER  28           HG       SER  28  19.846  11.106   5.424
  157    HA   PRO  29           HA       PRO  29  20.972   4.558   5.533
  158   1HB   PRO  29          2HB       PRO  29  20.360   2.809   3.515
  159   2HB   PRO  29          1HB       PRO  29  19.204   3.277   4.778
  160   1HG   PRO  29          2HG       PRO  29  19.424   4.220   1.966
  161   2HG   PRO  29          1HG       PRO  29  17.983   3.920   2.947
  162   1HD   PRO  29          2HD       PRO  29  19.005   6.417   2.450
  163   2HD   PRO  29          1HD       PRO  29  18.024   6.003   3.875
  164    H    ALA  30           H        ALA  30  23.194   4.494   5.377
  165    HA   ALA  30           HA       ALA  30  24.435   4.491   2.667
  166   1HB   ALA  30          1HB       ALA  30  24.780   6.564   3.978
  167   2HB   ALA  30          2HB       ALA  30  26.299   5.702   3.733
  168   3HB   ALA  30          3HB       ALA  30  25.471   5.606   5.287
  169    H    GLU  31           H        GLU  31  23.600   2.119   4.231
  170    HA   GLU  31           HA       GLU  31  26.085   0.998   5.309
  171   1HB   GLU  31          2HB       GLU  31  24.621  -0.900   5.875
  172   2HB   GLU  31          1HB       GLU  31  23.890   0.619   6.360
  173   1HG   GLU  31          2HG       GLU  31  22.090   0.254   5.062
  174   2HG   GLU  31          1HG       GLU  31  23.100  -0.050   3.655
  175    H    GLY  32           H        GLY  32  24.109   0.748   2.419
  176   1HA   GLY  32          2HA       GLY  32  25.717   0.148   0.435
  177   2HA   GLY  32          1HA       GLY  32  25.935  -1.347   1.342
  178    H    CYS  33           H        CYS  33  23.378  -1.906   2.204
  179    HA   CYS  33           HA       CYS  33  21.943  -2.339  -0.396
  180   1HB   CYS  33          2HB       CYS  33  22.667  -3.997   1.934
  181   2HB   CYS  33          1HB       CYS  33  20.999  -4.200   1.404
  182    H    ALA  34           H        ALA  34  20.606  -0.427  -0.254
  183    HA   ALA  34           HA       ALA  34  18.848  -0.157   2.143
  184   1HB   ALA  34          1HB       ALA  34  19.215   1.574  -0.329
  185   2HB   ALA  34          2HB       ALA  34  20.074   1.795   1.195
  186   3HB   ALA  34          3HB       ALA  34  18.327   2.024   1.124
  187    H    GLU  35           H        GLU  35  18.466  -2.422   0.372
  188    HA   GLU  35           HA       GLU  35  15.686  -1.846  -0.579
  189   1HB   GLU  35          2HB       GLU  35  17.933  -3.280  -2.040
  190   2HB   GLU  35          1HB       GLU  35  16.254  -3.288  -2.574
  191   1HG   GLU  35          2HG       GLU  35  16.568  -0.630  -2.292
  192   2HG   GLU  35          1HG       GLU  35  18.244  -1.063  -2.617
  193    H    ALA  36           H        ALA  36  14.741  -4.228  -1.219
  194    HA   ALA  36           HA       ALA  36  15.001  -5.810   1.261
  195   1HB   ALA  36          1HB       ALA  36  12.945  -6.757   0.585
  196   2HB   ALA  36          2HB       ALA  36  13.258  -6.434  -1.121
  197   3HB   ALA  36          3HB       ALA  36  12.850  -5.107  -0.033
  198    H    GLU  37           H        GLU  37  17.290  -5.854  -0.596
  199    HA   GLU  37           HA       GLU  37  17.200  -8.367  -2.061
  200   1HB   GLU  37          2HB       GLU  37  18.589  -6.211  -2.498
  201   2HB   GLU  37          1HB       GLU  37  19.670  -6.830  -1.244
  202   1HG   GLU  37          2HG       GLU  37  20.390  -8.597  -2.533
  203   2HG   GLU  37          1HG       GLU  37  18.863  -8.728  -3.405
  204    H    GLY  38           H        GLY  38  18.150  -7.324   1.159
  205   1HA   GLY  38          2HA       GLY  38  18.717  -8.628   3.040
  206   2HA   GLY  38          1HA       GLY  38  18.290 -10.054   2.097
  207    H    CYS  39           H        CYS  39  20.825  -7.598   2.329
  208    HA   CYS  39           HA       CYS  39  22.801  -9.564   1.268
  209   1HB   CYS  39          2HB       CYS  39  23.421  -6.703   1.933
  210   2HB   CYS  39          1HB       CYS  39  24.021  -7.688   0.600
  211    H    LEU  40           H        LEU  40  23.658 -10.796   2.929
  212    HA   LEU  40           HA       LEU  40  24.544  -9.355   5.382
  213   1HB   LEU  40          2HB       LEU  40  22.530 -11.300   5.116
  214   2HB   LEU  40          1HB       LEU  40  23.903 -12.159   5.812
  215    HG   LEU  40           HG       LEU  40  22.928  -9.514   6.903
  216   1HD1  LEU  40          1HD1      LEU  40  21.046 -10.962   7.163
  217   2HD1  LEU  40          2HD1      LEU  40  21.892 -11.016   8.710
  218   3HD1  LEU  40          3HD1      LEU  40  22.070 -12.342   7.560
  219   1HD2  LEU  40          1HD2      LEU  40  24.348  -9.971   8.712
  220   2HD2  LEU  40          2HD2      LEU  40  25.279 -10.598   7.353
  221   3HD2  LEU  40          3HD2      LEU  40  24.371 -11.702   8.383
  222    H    ARG  41           H        ARG  41  24.962 -12.627   3.943
  223    HA   ARG  41           HA       ARG  41  27.853 -12.194   3.724
  224   1HB   ARG  41          2HB       ARG  41  26.624 -13.229   6.084
  225   2HB   ARG  41          1HB       ARG  41  27.464 -14.576   5.314
  226   1HG   ARG  41          2HG       ARG  41  29.529 -13.661   5.664
  227   2HG   ARG  41          1HG       ARG  41  28.955 -12.017   5.379
  228   1HD   ARG  41          2HD       ARG  41  29.183 -11.782   7.649
  229   2HD   ARG  41          1HD       ARG  41  27.649 -12.665   7.724
  230    HE   ARG  41           HE       ARG  41  28.851 -14.693   8.198
  231   1HH1  ARG  41          1HH2      ARG  41  30.955 -11.969   7.641
  232   2HH1  ARG  41          2HH2      ARG  41  32.331 -12.744   8.341
  233   1HH2  ARG  41          1HH1      ARG  41  30.666 -15.683   9.086
  234   2HH2  ARG  41          2HH1      ARG  41  32.172 -14.833   9.149
  235    H    ARG  42           H        ARG  42  28.146 -15.257   3.855
  236    HA   ARG  42           HA       ARG  42  27.607 -15.765   1.059
  237   1HB   ARG  42          2HB       ARG  42  28.689 -17.302   3.409
  238   2HB   ARG  42          1HB       ARG  42  28.392 -18.115   1.874
  239   1HG   ARG  42          2HG       ARG  42  29.719 -15.828   1.077
  240   2HG   ARG  42          1HG       ARG  42  30.517 -16.215   2.600
  241   1HD   ARG  42          2HD       ARG  42  30.247 -18.697   1.287
  242   2HD   ARG  42          1HD       ARG  42  30.767 -17.556   0.029
  243    HE   ARG  42           HE       ARG  42  32.270 -17.082   2.441
  244   1HH1  ARG  42          1HH2      ARG  42  31.907 -19.321  -0.184
  245   2HH1  ARG  42          2HH2      ARG  42  33.545 -19.860  -0.119
  246   1HH2  ARG  42          1HH1      ARG  42  34.422 -17.790   2.528
  247   2HH2  ARG  42          2HH1      ARG  42  34.979 -18.997   1.419
  248    H    GLU  43           H        GLU  43  25.217 -15.503   3.174
  249    HA   GLU  43           HA       GLU  43  23.919 -18.105   3.022
  250   1HB   GLU  43          2HB       GLU  43  22.839 -15.357   3.703
  251   2HB   GLU  43          1HB       GLU  43  22.087 -16.892   4.116
  252   1HG   GLU  43          2HG       GLU  43  24.914 -16.507   5.001
  253   2HG   GLU  43          1HG       GLU  43  23.689 -15.556   5.834
  254    H    GLY  44           H        GLY  44  24.177 -18.224   0.569
  255   1HA   GLY  44          2HA       GLY  44  22.480 -16.406  -1.002
  256   2HA   GLY  44          1HA       GLY  44  23.466 -17.723  -1.647
  257    H    GLN  45           HN       GLN  45  20.527 -17.170   0.315
  258    HA   GLN  45           HA       GLN  45  19.202 -19.384  -1.178
  259   1HB   GLN  45          2HB       GLN  45  20.253 -19.560   1.455
  260   2HB   GLN  45          1HB       GLN  45  18.498 -19.497   1.621
  261   1HG   GLN  45          2HG       GLN  45  18.512 -21.257  -0.319
  262   2HG   GLN  45          1HG       GLN  45  20.188 -21.513   0.157
  263   1HE2  GLN  45          1HE2      GLN  45  19.991 -21.236   2.976
  264   2HE2  GLN  45          2HE2      GLN  45  18.996 -22.469   3.582
  Start of MODEL    8
    1   1H    ALA   1          1HT       ALA   1  66.906   4.056 -21.460
    2   2H    ALA   1          2HT       ALA   1  66.973   5.752 -21.559
    3   3H    ALA   1          3HT       ALA   1  65.691   4.992 -20.743
    4    HA   ALA   1           HA       ALA   1  67.151   4.226 -19.006
    5   1HB   ALA   1          1HB       ALA   1  69.294   5.517 -20.735
    6   2HB   ALA   1          2HB       ALA   1  69.011   3.778 -20.612
    7   3HB   ALA   1          3HB       ALA   1  69.565   4.684 -19.204
    8    H    LEU   2           H        LEU   2  66.557   5.611 -17.387
    9    HA   LEU   2           HA       LEU   2  67.587   8.326 -17.246
   10   1HB   LEU   2          2HB       LEU   2  65.588   8.287 -18.909
   11   2HB   LEU   2          1HB       LEU   2  64.590   8.060 -17.473
   12    HG   LEU   2           HG       LEU   2  65.748  10.121 -16.503
   13   1HD1  LEU   2          1HD1      LEU   2  67.014   9.928 -19.158
   14   2HD1  LEU   2          2HD1      LEU   2  67.574  10.749 -17.701
   15   3HD1  LEU   2          3HD1      LEU   2  66.410  11.538 -18.765
   16   1HD2  LEU   2          1HD2      LEU   2  64.173  10.613 -19.046
   17   2HD2  LEU   2          2HD2      LEU   2  64.240  11.634 -17.611
   18   3HD2  LEU   2          3HD2      LEU   2  63.433  10.069 -17.539
   19    H    ALA   3           H        ALA   3  64.768   6.426 -16.091
   20    HA   ALA   3           HA       ALA   3  64.913   7.450 -13.396
   21   1HB   ALA   3          1HB       ALA   3  63.184   5.797 -12.992
   22   2HB   ALA   3          2HB       ALA   3  63.670   4.879 -14.420
   23   3HB   ALA   3          3HB       ALA   3  62.916   6.463 -14.604
   24    H    ARG   4           H        ARG   4  66.544   6.920 -11.991
   25    HA   ARG   4           HA       ARG   4  67.362   4.128 -11.652
   26   1HB   ARG   4          2HB       ARG   4  68.660   5.474 -13.567
   27   2HB   ARG   4          1HB       ARG   4  69.595   6.038 -12.183
   28   1HG   ARG   4          2HG       ARG   4  69.293   3.276 -11.773
   29   2HG   ARG   4          1HG       ARG   4  69.643   3.444 -13.496
   30   1HD   ARG   4          2HD       ARG   4  71.326   5.203 -11.859
   31   2HD   ARG   4          1HD       ARG   4  71.552   3.488 -11.465
   32    HE   ARG   4           HE       ARG   4  72.092   4.760 -14.080
   33   1HH1  ARG   4          1HH2      ARG   4  71.644   1.826 -12.255
   34   2HH1  ARG   4          2HH2      ARG   4  72.539   0.859 -13.376
   35   1HH2  ARG   4          1HH1      ARG   4  73.214   3.450 -15.550
   36   2HH2  ARG   4          2HH1      ARG   4  73.415   1.763 -15.215
   37    H    CYS   5           H        CYS   5  66.302   4.883  -9.577
   38    HA   CYS   5           HA       CYS   5  68.355   5.981  -7.717
   39   1HB   CYS   5          2HB       CYS   5  67.045   7.894  -8.381
   40   2HB   CYS   5          1HB       CYS   5  65.538   7.002  -8.167
   41    HA   PRO   6           HA       PRO   6  66.400   2.375  -5.828
   42   1HB   PRO   6          2HB       PRO   6  68.577   1.627  -4.360
   43   2HB   PRO   6          1HB       PRO   6  68.394   1.241  -6.082
   44   1HG   PRO   6          2HG       PRO   6  70.093   3.299  -4.786
   45   2HG   PRO   6          1HG       PRO   6  70.359   2.386  -6.279
   46   1HD   PRO   6          2HD       PRO   6  69.455   5.029  -6.114
   47   2HD   PRO   6          1HD       PRO   6  69.364   3.988  -7.548
   48    H    GLY   7           H        GLY   7  68.292   4.883  -4.100
   49   1HA   GLY   7          2HA       GLY   7  66.942   4.191  -1.574
   50   2HA   GLY   7          1HA       GLY   7  68.212   5.394  -1.762
   51    H    CYS   8           H        CYS   8  64.918   5.010  -3.196
   52    HA   CYS   8           HA       CYS   8  64.010   7.437  -1.823
   53   1HB   CYS   8          2HB       CYS   8  63.674   8.684  -3.971
   54   2HB   CYS   8          1HB       CYS   8  65.372   8.401  -3.584
   55    H    GLY   9           H        GLY   9  61.696   7.935  -2.406
   56   1HA   GLY   9          2HA       GLY   9  59.496   7.288  -2.958
   57   2HA   GLY   9          1HA       GLY   9  60.192   6.104  -4.068
   58    H    GLN  10           H        GLN  10  59.988   6.617  -0.524
   59    HA   GLN  10           HA       GLN  10  59.046   3.822  -0.223
   60   1HB   GLN  10          2HB       GLN  10  60.790   3.630   1.656
   61   2HB   GLN  10          1HB       GLN  10  61.416   3.606   0.007
   62   1HG   GLN  10          2HG       GLN  10  61.996   5.983   0.156
   63   2HG   GLN  10          1HG       GLN  10  61.264   6.086   1.756
   64   1HE2  GLN  10          1HE2      GLN  10  63.581   3.770   0.233
   65   2HE2  GLN  10          2HE2      GLN  10  64.701   3.861   1.503
   66    H    GLY  11           H        GLY  11  57.864   6.613   0.197
   67   1HA   GLY  11          2HA       GLY  11  56.944   6.114   2.981
   68   2HA   GLY  11          1HA       GLY  11  57.528   7.727   2.568
   69    H    VAL  12           H        VAL  12  55.285   5.287   1.204
   70    HA   VAL  12           HA       VAL  12  53.442   7.550   0.510
   71    HB   VAL  12           HB       VAL  12  52.606   5.953  -1.234
   72   1HG1  VAL  12          1HG1      VAL  12  54.319   7.590  -1.831
   73   2HG1  VAL  12          2HG1      VAL  12  54.655   6.067  -2.655
   74   3HG1  VAL  12          3HG1      VAL  12  55.589   6.522  -1.231
   75   1HG2  VAL  12          1HG2      VAL  12  53.489   3.933   0.178
   76   2HG2  VAL  12          2HG2      VAL  12  55.022   4.251  -0.636
   77   3HG2  VAL  12          3HG2      VAL  12  53.590   3.847  -1.581
   78    H    GLN  13           H        GLN  13  53.750   5.182   2.841
   79    HA   GLN  13           HA       GLN  13  51.314   3.806   2.987
   80   1HB   GLN  13          2HB       GLN  13  53.478   3.910   4.507
   81   2HB   GLN  13          1HB       GLN  13  52.525   5.071   5.432
   82   1HG   GLN  13          2HG       GLN  13  50.785   3.464   5.825
   83   2HG   GLN  13          1HG       GLN  13  51.489   2.325   4.676
   84   1HE2  GLN  13          1HE2      GLN  13  50.980   1.823   7.549
   85   2HE2  GLN  13          2HE2      GLN  13  52.492   1.489   8.244
   86    H    ALA  14           H        ALA  14  52.005   7.105   4.184
   87    HA   ALA  14           HA       ALA  14  49.061   7.528   4.518
   88   1HB   ALA  14          1HB       ALA  14  50.470   7.733   6.537
   89   2HB   ALA  14          2HB       ALA  14  49.780   9.295   6.100
   90   3HB   ALA  14          3HB       ALA  14  51.467   8.945   5.727
   91    H    GLY  15           H        GLY  15  50.737   7.787   1.976
   92   1HA   GLY  15          2HA       GLY  15  50.039  10.637   1.396
   93   2HA   GLY  15          1HA       GLY  15  51.533   9.914   0.795
   94    H    CYS  16           H        CYS  16  48.015   9.269   0.801
   95    HA   CYS  16           HA       CYS  16  48.303   7.855  -1.791
   96   1HB   CYS  16          2HB       CYS  16  46.217   8.139   0.364
   97   2HB   CYS  16          1HB       CYS  16  45.761   7.534  -1.226
   98    HA   PRO  17           HA       PRO  17  46.803  11.364  -4.054
   99   1HB   PRO  17          2HB       PRO  17  45.767  10.092  -6.244
  100   2HB   PRO  17          1HB       PRO  17  47.510  10.283  -5.968
  101   1HG   PRO  17          2HG       PRO  17  45.776   7.903  -5.532
  102   2HG   PRO  17          1HG       PRO  17  47.443   7.994  -6.120
  103   1HD   PRO  17          2HD       PRO  17  46.756   7.290  -3.563
  104   2HD   PRO  17          1HD       PRO  17  48.320   8.007  -4.014
  105    H    GLY  18           H        GLY  18  44.597   8.586  -3.738
  106   1HA   GLY  18          2HA       GLY  18  42.437  10.245  -2.746
  107   2HA   GLY  18          1HA       GLY  18  42.134   9.700  -4.397
  108    H    GLY  19           H        GLY  19  43.413   8.246  -1.408
  109   1HA   GLY  19          2HA       GLY  19  41.644   6.516  -0.483
  110   2HA   GLY  19          1HA       GLY  19  41.944   5.743  -2.047
  111    H    CYS  20           H        CYS  20  42.725   5.243   0.990
  112    HA   CYS  20           HA       CYS  20  45.528   4.380   0.359
  113   1HB   CYS  20          2HB       CYS  20  44.673   6.435   2.107
  114   2HB   CYS  20          1HB       CYS  20  45.109   5.078   3.155
  115    H    VAL  21           H        VAL  21  46.211   2.645   2.020
  116    HA   VAL  21           HA       VAL  21  44.095   0.630   2.231
  117    HB   VAL  21           HB       VAL  21  46.459   0.205   1.555
  118   1HG1  VAL  21          1HG1      VAL  21  47.680   0.011   4.121
  119   2HG1  VAL  21          2HG1      VAL  21  47.007   1.635   3.976
  120   3HG1  VAL  21          3HG1      VAL  21  48.151   1.042   2.772
  121   1HG2  VAL  21          1HG2      VAL  21  44.860  -1.472   2.811
  122   2HG2  VAL  21          2HG2      VAL  21  46.043  -1.313   4.109
  123   3HG2  VAL  21          3HG2      VAL  21  46.544  -1.909   2.525
  124    H    GLU  22           H        GLU  22  43.233   2.696   3.830
  125    HA   GLU  22           HA       GLU  22  43.844   1.851   6.611
  126   1HB   GLU  22          2HB       GLU  22  43.362   4.385   5.227
  127   2HB   GLU  22          1HB       GLU  22  42.331   4.206   6.646
  128   1HG   GLU  22          2HG       GLU  22  44.538   3.445   7.840
  129   2HG   GLU  22          1HG       GLU  22  45.338   4.255   6.493
  130    H    GLU  23           H        GLU  23  42.250   0.082   5.258
  131    HA   GLU  23           HA       GLU  23  40.133  -0.936   5.187
  132   1HB   GLU  23          2HB       GLU  23  40.644   0.175   7.778
  133   2HB   GLU  23          1HB       GLU  23  38.922   0.367   7.436
  134   1HG   GLU  23          2HG       GLU  23  38.576  -1.926   7.214
  135   2HG   GLU  23          1HG       GLU  23  40.260  -2.233   6.788
  136    H    GLU  24           H        GLU  24  40.187   0.863   3.298
  137    HA   GLU  24           HA       GLU  24  38.544   3.177   3.437
  138   1HB   GLU  24          2HB       GLU  24  38.516   2.862   0.916
  139   2HB   GLU  24          1HB       GLU  24  40.123   2.788   1.642
  140   1HG   GLU  24          2HG       GLU  24  38.798   0.182   1.608
  141   2HG   GLU  24          1HG       GLU  24  38.975   0.855  -0.008
  142    H    ASP  25           H        ASP  25  37.469  -0.034   3.761
  143    HA   ASP  25           HA       ASP  25  34.943   0.182   2.321
  144   1HB   ASP  25          2HB       ASP  25  36.168  -1.692   4.360
  145   2HB   ASP  25          1HB       ASP  25  34.514  -1.927   3.792
  146    H    GLY  26           H        GLY  26  36.078   1.060   5.539
  147   1HA   GLY  26          2HA       GLY  26  34.894   2.515   7.037
  148   2HA   GLY  26          1HA       GLY  26  33.426   2.247   6.096
  149    H    GLY  27           H        GLY  27  33.068  -0.453   6.102
  150   1HA   GLY  27          2HA       GLY  27  33.587  -1.773   8.592
  151   2HA   GLY  27          1HA       GLY  27  32.007  -0.993   8.669
  152    H    SER  28           H        SER  28  30.670  -2.792   8.544
  153    HA   SER  28           HA       SER  28  30.511  -4.116   5.921
  154   1HB   SER  28          2HB       SER  28  32.061  -5.619   6.809
  155   2HB   SER  28          1HB       SER  28  31.477  -5.418   8.454
  156    HG   SER  28           HG       SER  28  30.462  -6.995   6.346
  157    HA   PRO  29           HA       PRO  29  26.635  -5.420   8.385
  158   1HB   PRO  29          2HB       PRO  29  26.466  -4.789  11.049
  159   2HB   PRO  29          1HB       PRO  29  27.143  -6.318  10.452
  160   1HG   PRO  29          2HG       PRO  29  28.548  -3.854  11.369
  161   2HG   PRO  29          1HG       PRO  29  28.956  -5.555  11.651
  162   1HD   PRO  29          2HD       PRO  29  30.220  -4.043   9.792
  163   2HD   PRO  29          1HD       PRO  29  29.983  -5.793   9.611
  164    H    ALA  30           H        ALA  30  28.134  -2.370   9.403
  165    HA   ALA  30           HA       ALA  30  25.513  -0.995   9.347
  166   1HB   ALA  30          1HB       ALA  30  27.123  -0.708  11.240
  167   2HB   ALA  30          2HB       ALA  30  26.757   0.813  10.426
  168   3HB   ALA  30          3HB       ALA  30  28.280  -0.015  10.102
  169    H    GLU  31           H        GLU  31  26.098  -1.739   6.801
  170    HA   GLU  31           HA       GLU  31  27.653   0.307   5.400
  171   1HB   GLU  31          2HB       GLU  31  27.735  -1.961   4.588
  172   2HB   GLU  31          1HB       GLU  31  25.976  -2.072   4.568
  173   1HG   GLU  31          2HG       GLU  31  26.423  -1.672   2.318
  174   2HG   GLU  31          1HG       GLU  31  26.147  -0.037   2.906
  175    H    GLY  32           H        GLY  32  24.207  -0.599   5.716
  176   1HA   GLY  32          2HA       GLY  32  22.405   1.045   5.725
  177   2HA   GLY  32          1HA       GLY  32  23.486   2.175   4.909
  178    H    CYS  33           H        CYS  33  22.446  -1.163   4.172
  179    HA   CYS  33           HA       CYS  33  22.245  -0.545   1.318
  180   1HB   CYS  33          2HB       CYS  33  22.674  -2.780   2.895
  181   2HB   CYS  33          1HB       CYS  33  21.017  -3.015   2.339
  182    H    ALA  34           H        ALA  34  20.450   0.498   0.499
  183    HA   ALA  34           HA       ALA  34  17.954   0.663   2.018
  184   1HB   ALA  34          1HB       ALA  34  18.937   2.491   0.635
  185   2HB   ALA  34          2HB       ALA  34  17.292   2.096   0.134
  186   3HB   ALA  34          3HB       ALA  34  18.663   1.518  -0.811
  187    H    GLU  35           H        GLU  35  19.154  -1.235  -0.676
  188    HA   GLU  35           HA       GLU  35  16.554  -2.213  -1.534
  189   1HB   GLU  35          2HB       GLU  35  19.452  -2.847  -2.075
  190   2HB   GLU  35          1HB       GLU  35  18.177  -3.880  -2.715
  191   1HG   GLU  35          2HG       GLU  35  18.533  -2.325  -4.450
  192   2HG   GLU  35          1HG       GLU  35  17.120  -1.685  -3.615
  193    H    ALA  36           H        ALA  36  15.773  -4.383  -1.231
  194    HA   ALA  36           HA       ALA  36  16.516  -5.565   1.386
  195   1HB   ALA  36          1HB       ALA  36  14.322  -6.098  -0.639
  196   2HB   ALA  36          2HB       ALA  36  14.173  -5.145   0.837
  197   3HB   ALA  36          3HB       ALA  36  14.436  -6.887   0.933
  198    H    GLU  37           H        GLU  37  16.342  -6.574  -2.057
  199    HA   GLU  37           HA       GLU  37  17.291  -9.261  -1.486
  200   1HB   GLU  37          2HB       GLU  37  15.848  -8.316  -3.440
  201   2HB   GLU  37          1HB       GLU  37  17.400  -7.861  -4.155
  202   1HG   GLU  37          2HG       GLU  37  18.131 -10.122  -4.287
  203   2HG   GLU  37          1HG       GLU  37  16.869 -10.681  -3.185
  204    H    GLY  38           H        GLY  38  18.838  -6.201  -2.284
  205   1HA   GLY  38          2HA       GLY  38  21.337  -7.303  -3.195
  206   2HA   GLY  38          1HA       GLY  38  21.089  -5.644  -2.662
  207    H    CYS  39           H        CYS  39  20.142  -6.455   0.047
  208    HA   CYS  39           HA       CYS  39  22.689  -7.616   1.144
  209   1HB   CYS  39          2HB       CYS  39  21.226  -5.096   1.960
  210   2HB   CYS  39          1HB       CYS  39  22.538  -5.813   2.891
  211    H    LEU  40           H        LEU  40  19.212  -7.022   1.740
  212    HA   LEU  40           HA       LEU  40  19.219  -8.279   4.342
  213   1HB   LEU  40          2HB       LEU  40  17.432  -6.893   2.574
  214   2HB   LEU  40          1HB       LEU  40  16.634  -8.347   3.172
  215    HG   LEU  40           HG       LEU  40  18.087  -6.415   4.995
  216   1HD1  LEU  40          1HD1      LEU  40  15.306  -6.356   3.880
  217   2HD1  LEU  40          2HD1      LEU  40  16.384  -5.015   4.271
  218   3HD1  LEU  40          3HD1      LEU  40  15.546  -5.879   5.560
  219   1HD2  LEU  40          1HD2      LEU  40  17.725  -8.136   6.425
  220   2HD2  LEU  40          2HD2      LEU  40  16.652  -8.954   5.288
  221   3HD2  LEU  40          3HD2      LEU  40  16.022  -7.691   6.345
  222    H    ARG  41           H        ARG  41  20.534 -10.220   3.219
  223    HA   ARG  41           HA       ARG  41  18.558 -12.286   2.390
  224   1HB   ARG  41          2HB       ARG  41  20.313 -11.535   0.718
  225   2HB   ARG  41          1HB       ARG  41  21.536 -12.195   1.813
  226   1HG   ARG  41          2HG       ARG  41  20.896 -13.795   0.006
  227   2HG   ARG  41          1HG       ARG  41  20.579 -14.421   1.621
  228   1HD   ARG  41          2HD       ARG  41  18.394 -14.695   1.109
  229   2HD   ARG  41          1HD       ARG  41  18.243 -12.977   0.695
  230    HE   ARG  41           HE       ARG  41  19.468 -13.807  -1.529
  231   1HH1  ARG  41          1HH2      ARG  41  16.959 -15.407   0.304
  232   2HH1  ARG  41          2HH2      ARG  41  16.370 -16.280  -1.069
  233   1HH2  ARG  41          1HH1      ARG  41  18.666 -14.952  -3.297
  234   2HH2  ARG  41          2HH1      ARG  41  17.313 -16.014  -3.098
  235    H    ARG  42           H        ARG  42  18.370 -12.330   4.908
  236    HA   ARG  42           HA       ARG  42  20.143 -14.473   5.899
  237   1HB   ARG  42          2HB       ARG  42  19.696 -11.727   7.032
  238   2HB   ARG  42          1HB       ARG  42  20.055 -13.066   8.124
  239   1HG   ARG  42          2HG       ARG  42  22.073 -13.586   6.700
  240   2HG   ARG  42          1HG       ARG  42  21.756 -12.099   5.806
  241   1HD   ARG  42          2HD       ARG  42  22.609 -10.795   7.463
  242   2HD   ARG  42          1HD       ARG  42  21.779 -11.716   8.734
  243    HE   ARG  42           HE       ARG  42  23.690 -13.496   7.860
  244   1HH1  ARG  42          1HH2      ARG  42  23.774 -10.161   8.877
  245   2HH1  ARG  42          2HH2      ARG  42  25.404 -10.255   9.456
  246   1HH2  ARG  42          1HH1      ARG  42  25.803 -13.614   8.645
  247   2HH2  ARG  42          2HH1      ARG  42  26.555 -12.209   9.320
  248    H    GLU  43           H        GLU  43  17.500 -14.697   4.938
  249    HA   GLU  43           HA       GLU  43  15.503 -14.548   7.001
  250   1HB   GLU  43          2HB       GLU  43  14.239 -16.000   5.347
  251   2HB   GLU  43          1HB       GLU  43  14.927 -14.533   4.642
  252   1HG   GLU  43          2HG       GLU  43  16.784 -16.817   4.573
  253   2HG   GLU  43          1HG       GLU  43  15.301 -17.094   3.658
  254    H    GLY  44           H        GLY  44  14.714 -16.177   8.367
  255   1HA   GLY  44          2HA       GLY  44  16.624 -18.261   9.109
  256   2HA   GLY  44          1HA       GLY  44  15.059 -17.973   9.868
  257    H    GLN  45           HN       GLN  45  16.193 -18.980   6.607
  258    HA   GLN  45           HA       GLN  45  14.166 -21.187   6.723
  259   1HB   GLN  45          2HB       GLN  45  15.115 -19.430   4.438
  260   2HB   GLN  45          1HB       GLN  45  14.070 -20.836   4.217
  261   1HG   GLN  45          2HG       GLN  45  12.662 -19.607   6.142
  262   2HG   GLN  45          1HG       GLN  45  13.449 -18.186   5.441
  263   1HE2  GLN  45          1HE2      GLN  45  12.981 -17.663   3.199
  264   2HE2  GLN  45          2HE2      GLN  45  11.642 -18.327   2.397
  Start of MODEL    9
    1   1H    ALA   1          1HT       ALA   1  39.672  21.759 -34.231
    2   2H    ALA   1          2HT       ALA   1  38.923  21.601 -32.716
    3   3H    ALA   1          3HT       ALA   1  39.587  20.239 -33.486
    4    HA   ALA   1           HA       ALA   1  41.391  22.484 -32.940
    5   1HB   ALA   1          1HB       ALA   1  40.132  20.624 -30.907
    6   2HB   ALA   1          2HB       ALA   1  40.169  22.389 -30.884
    7   3HB   ALA   1          3HB       ALA   1  41.650  21.472 -30.606
    8    H    LEU   2           H        LEU   2  43.530  21.383 -32.187
    9    HA   LEU   2           HA       LEU   2  43.817  18.569 -33.034
   10   1HB   LEU   2          2HB       LEU   2  44.350  20.852 -34.691
   11   2HB   LEU   2          1HB       LEU   2  45.877  20.048 -34.334
   12    HG   LEU   2           HG       LEU   2  44.104  17.947 -34.868
   13   1HD1  LEU   2          1HD1      LEU   2  42.435  19.367 -35.830
   14   2HD1  LEU   2          2HD1      LEU   2  43.297  18.636 -37.184
   15   3HD1  LEU   2          3HD1      LEU   2  43.643  20.301 -36.714
   16   1HD2  LEU   2          1HD2      LEU   2  45.494  17.623 -36.843
   17   2HD2  LEU   2          2HD2      LEU   2  46.511  18.188 -35.518
   18   3HD2  LEU   2          3HD2      LEU   2  46.019  19.306 -36.791
   19    H    ALA   3           H        ALA   3  44.153  19.241 -30.453
   20    HA   ALA   3           HA       ALA   3  47.022  19.840 -30.017
   21   1HB   ALA   3          1HB       ALA   3  45.224  21.169 -28.873
   22   2HB   ALA   3          2HB       ALA   3  46.308  20.363 -27.740
   23   3HB   ALA   3          3HB       ALA   3  44.706  19.693 -28.057
   24    H    ARG   4           H        ARG   4  47.966  17.782 -30.419
   25    HA   ARG   4           HA       ARG   4  46.964  15.263 -29.600
   26   1HB   ARG   4          2HB       ARG   4  49.455  14.645 -29.732
   27   2HB   ARG   4          1HB       ARG   4  48.759  15.381 -31.173
   28   1HG   ARG   4          2HG       ARG   4  49.873  17.411 -30.835
   29   2HG   ARG   4          1HG       ARG   4  50.035  17.151 -29.099
   30   1HD   ARG   4          2HD       ARG   4  52.228  16.756 -29.859
   31   2HD   ARG   4          1HD       ARG   4  51.554  15.116 -29.837
   32    HE   ARG   4           HE       ARG   4  51.519  15.127 -32.206
   33   1HH1  ARG   4          1HH2      ARG   4  52.022  18.322 -30.936
   34   2HH1  ARG   4          2HH2      ARG   4  52.488  18.985 -32.458
   35   1HH2  ARG   4          1HH1      ARG   4  52.068  16.019 -34.190
   36   2HH2  ARG   4          2HH1      ARG   4  52.472  17.695 -34.304
   37    H    CYS   5           H        CYS   5  46.301  14.962 -27.489
   38    HA   CYS   5           HA       CYS   5  48.294  15.558 -25.327
   39   1HB   CYS   5          2HB       CYS   5  46.369  16.150 -23.929
   40   2HB   CYS   5          1HB       CYS   5  46.331  17.097 -25.412
   41    HA   PRO   6           HA       PRO   6  47.804  11.247 -24.454
   42   1HB   PRO   6          2HB       PRO   6  49.100  11.184 -22.047
   43   2HB   PRO   6          1HB       PRO   6  49.950  11.343 -23.597
   44   1HG   PRO   6          2HG       PRO   6  49.342  13.387 -21.549
   45   2HG   PRO   6          1HG       PRO   6  50.729  13.257 -22.641
   46   1HD   PRO   6          2HD       PRO   6  48.565  14.968 -22.974
   47   2HD   PRO   6          1HD       PRO   6  49.711  14.492 -24.249
   48    H    GLY   7           H        GLY   7  45.728  10.620 -23.923
   49   1HA   GLY   7          2HA       GLY   7  43.739  10.362 -22.697
   50   2HA   GLY   7          1HA       GLY   7  44.837  10.137 -21.338
   51    H    CYS   8           H        CYS   8  43.830  12.979 -23.301
   52    HA   CYS   8           HA       CYS   8  43.349  14.398 -20.703
   53   1HB   CYS   8          2HB       CYS   8  44.283  16.274 -21.678
   54   2HB   CYS   8          1HB       CYS   8  45.117  15.043 -22.619
   55    H    GLY   9           H        GLY   9  41.741  16.466 -21.474
   56   1HA   GLY   9          2HA       GLY   9  39.669  17.036 -22.593
   57   2HA   GLY   9          1HA       GLY   9  39.507  15.350 -23.084
   58    H    GLN  10           H        GLN  10  40.256  16.459 -19.811
   59    HA   GLN  10           HA       GLN  10  39.269  15.621 -17.800
   60   1HB   GLN  10          2HB       GLN  10  37.085  16.993 -17.577
   61   2HB   GLN  10          1HB       GLN  10  38.579  17.867 -17.895
   62   1HG   GLN  10          2HG       GLN  10  37.146  17.004 -20.337
   63   2HG   GLN  10          1HG       GLN  10  36.263  18.167 -19.352
   64   1HE2  GLN  10          1HE2      GLN  10  37.296  20.302 -18.969
   65   2HE2  GLN  10          2HE2      GLN  10  38.553  20.848 -19.969
   66    H    GLY  11           H        GLY  11  39.004  13.407 -19.306
   67   1HA   GLY  11          2HA       GLY  11  36.194  12.555 -18.756
   68   2HA   GLY  11          1HA       GLY  11  36.938  12.160 -20.308
   69    H    VAL  12           H        VAL  12  38.127  12.047 -16.927
   70    HA   VAL  12           HA       VAL  12  39.129   9.277 -17.480
   71    HB   VAL  12           HB       VAL  12  40.667  11.234 -16.854
   72   1HG1  VAL  12          1HG1      VAL  12  40.659  12.116 -14.681
   73   2HG1  VAL  12          2HG1      VAL  12  39.734  10.761 -14.032
   74   3HG1  VAL  12          3HG1      VAL  12  38.937  11.973 -15.033
   75   1HG2  VAL  12          1HG2      VAL  12  41.416   8.923 -16.643
   76   2HG2  VAL  12          2HG2      VAL  12  40.599   8.768 -15.089
   77   3HG2  VAL  12          3HG2      VAL  12  41.984   9.846 -15.253
   78    H    GLN  13           H        GLN  13  36.552  10.791 -15.941
   79    HA   GLN  13           HA       GLN  13  36.446   9.255 -13.497
   80   1HB   GLN  13          2HB       GLN  13  34.446  10.874 -15.042
   81   2HB   GLN  13          1HB       GLN  13  34.122  10.214 -13.447
   82   1HG   GLN  13          2HG       GLN  13  36.535  11.450 -13.048
   83   2HG   GLN  13          1HG       GLN  13  35.776  12.524 -14.231
   84   1HE2  GLN  13          1HE2      GLN  13  35.954  11.861 -10.920
   85   2HE2  GLN  13          2HE2      GLN  13  34.539  12.658 -10.423
   86    H    ALA  14           H        ALA  14  36.800   7.087 -14.528
   87    HA   ALA  14           HA       ALA  14  34.273   5.975 -15.722
   88   1HB   ALA  14          1HB       ALA  14  37.032   4.791 -16.029
   89   2HB   ALA  14          2HB       ALA  14  36.530   6.150 -17.036
   90   3HB   ALA  14          3HB       ALA  14  35.635   4.632 -17.095
   91    H    GLY  15           H        GLY  15  34.220   3.458 -15.294
   92   1HA   GLY  15          2HA       GLY  15  35.344   2.758 -12.627
   93   2HA   GLY  15          1HA       GLY  15  33.593   2.676 -12.830
   94    H    CYS  16           H        CYS  16  32.704   0.978 -14.076
   95    HA   CYS  16           HA       CYS  16  34.516  -1.321 -14.506
   96   1HB   CYS  16          2HB       CYS  16  31.542  -1.170 -15.036
   97   2HB   CYS  16          1HB       CYS  16  32.497  -2.573 -14.557
   98    HA   PRO  17           HA       PRO  17  34.761  -0.656 -18.858
   99   1HB   PRO  17          2HB       PRO  17  35.292  -3.208 -19.704
  100   2HB   PRO  17          1HB       PRO  17  36.494  -2.200 -18.874
  101   1HG   PRO  17          2HG       PRO  17  34.831  -4.424 -17.825
  102   2HG   PRO  17          1HG       PRO  17  36.491  -3.961 -17.415
  103   1HD   PRO  17          2HD       PRO  17  34.288  -3.398 -15.855
  104   2HD   PRO  17          1HD       PRO  17  35.814  -2.487 -15.808
  105    H    GLY  18           H        GLY  18  32.147  -0.503 -18.300
  106   1HA   GLY  18          2HA       GLY  18  30.049  -0.784 -19.318
  107   2HA   GLY  18          1HA       GLY  18  30.847  -1.726 -20.575
  108    H    GLY  19           H        GLY  19  31.525  -2.946 -17.449
  109   1HA   GLY  19          2HA       GLY  19  29.178  -4.756 -17.440
  110   2HA   GLY  19          1HA       GLY  19  30.772  -5.491 -17.646
  111    H    CYS  20           H        CYS  20  28.522  -4.571 -15.340
  112    HA   CYS  20           HA       CYS  20  30.474  -5.037 -13.163
  113   1HB   CYS  20          2HB       CYS  20  29.861  -2.471 -14.026
  114   2HB   CYS  20          1HB       CYS  20  28.788  -2.709 -12.643
  115    H    VAL  21           H        VAL  21  29.460  -5.946 -11.348
  116    HA   VAL  21           HA       VAL  21  26.500  -5.866 -11.140
  117    HB   VAL  21           HB       VAL  21  27.157  -7.719 -12.713
  118   1HG1  VAL  21          1HG1      VAL  21  29.009  -8.294 -10.524
  119   2HG1  VAL  21          2HG1      VAL  21  29.060  -8.808 -12.210
  120   3HG1  VAL  21          3HG1      VAL  21  28.100  -9.714 -11.042
  121   1HG2  VAL  21          1HG2      VAL  21  25.913  -9.542 -11.484
  122   2HG2  VAL  21          2HG2      VAL  21  25.087  -7.984 -11.503
  123   3HG2  VAL  21          3HG2      VAL  21  25.940  -8.512 -10.052
  124    H    GLU  22           H        GLU  22  28.405  -4.714  -9.412
  125    HA   GLU  22           HA       GLU  22  28.421  -6.518  -7.047
  126   1HB   GLU  22          2HB       GLU  22  30.231  -4.431  -8.159
  127   2HB   GLU  22          1HB       GLU  22  30.138  -4.544  -6.405
  128   1HG   GLU  22          2HG       GLU  22  30.326  -7.197  -7.179
  129   2HG   GLU  22          1HG       GLU  22  31.385  -6.379  -8.326
  130    H    GLU  23           H        GLU  23  26.983  -3.661  -8.345
  131    HA   GLU  23           HA       GLU  23  25.512  -2.069  -7.441
  132   1HB   GLU  23          2HB       GLU  23  25.034  -4.579  -6.294
  133   2HB   GLU  23          1HB       GLU  23  25.069  -3.475  -4.918
  134   1HG   GLU  23          2HG       GLU  23  22.790  -3.537  -5.726
  135   2HG   GLU  23          1HG       GLU  23  23.471  -1.976  -6.184
  136    H    GLU  24           H        GLU  24  27.277  -0.525  -7.124
  137    HA   GLU  24           HA       GLU  24  28.733  -0.432  -4.609
  138   1HB   GLU  24          2HB       GLU  24  28.392   1.629  -6.805
  139   2HB   GLU  24          1HB       GLU  24  29.666   1.609  -5.587
  140   1HG   GLU  24          2HG       GLU  24  30.683  -0.323  -6.510
  141   2HG   GLU  24          1HG       GLU  24  29.256  -0.727  -7.460
  142    H    ASP  25           H        ASP  25  26.038  -0.439  -3.875
  143    HA   ASP  25           HA       ASP  25  25.467   2.421  -3.175
  144   1HB   ASP  25          2HB       ASP  25  23.919   0.709  -4.579
  145   2HB   ASP  25          1HB       ASP  25  23.390   0.295  -2.951
  146    H    GLY  26           H        GLY  26  27.193   1.800  -1.418
  147   1HA   GLY  26          2HA       GLY  26  26.157   1.782   1.126
  148   2HA   GLY  26          1HA       GLY  26  26.249   0.063   0.745
  149    H    GLY  27           H        GLY  27  28.342  -0.883   0.380
  150   1HA   GLY  27          2HA       GLY  27  30.821  -0.406   0.132
  151   2HA   GLY  27          1HA       GLY  27  30.604   0.794   1.403
  152    H    SER  28           H        SER  28  29.252  -0.362   3.350
  153    HA   SER  28           HA       SER  28  30.705  -2.920   3.962
  154   1HB   SER  28          2HB       SER  28  30.045  -0.565   5.759
  155   2HB   SER  28          1HB       SER  28  30.839  -2.048   6.284
  156    HG   SER  28           HG       SER  28  32.489  -1.565   4.720
  157    HA   PRO  29           HA       PRO  29  26.789  -4.645   4.975
  158   1HB   PRO  29          2HB       PRO  29  27.371  -6.170   7.192
  159   2HB   PRO  29          1HB       PRO  29  27.842  -6.633   5.544
  160   1HG   PRO  29          2HG       PRO  29  29.463  -5.322   7.678
  161   2HG   PRO  29          1HG       PRO  29  29.917  -6.611   6.550
  162   1HD   PRO  29          2HD       PRO  29  30.677  -4.054   6.149
  163   2HD   PRO  29          1HD       PRO  29  30.291  -5.151   4.804
  164    H    ALA  30           H        ALA  30  28.527  -2.964   7.548
  165    HA   ALA  30           HA       ALA  30  26.028  -2.552   9.073
  166   1HB   ALA  30          1HB       ALA  30  27.481  -1.882  10.820
  167   2HB   ALA  30          2HB       ALA  30  28.784  -1.491   9.695
  168   3HB   ALA  30          3HB       ALA  30  28.357  -3.176  10.005
  169    H    GLU  31           H        GLU  31  26.997  -1.198   6.353
  170    HA   GLU  31           HA       GLU  31  27.237   1.614   7.037
  171   1HB   GLU  31          2HB       GLU  31  28.325   0.522   5.102
  172   2HB   GLU  31          1HB       GLU  31  26.747   0.163   4.408
  173   1HG   GLU  31          2HG       GLU  31  27.538   2.153   3.315
  174   2HG   GLU  31          1HG       GLU  31  26.302   2.680   4.458
  175    H    GLY  32           H        GLY  32  24.743  -0.337   5.411
  176   1HA   GLY  32          2HA       GLY  32  22.380   0.171   6.336
  177   2HA   GLY  32          1HA       GLY  32  22.773   1.840   5.923
  178    H    CYS  33           H        CYS  33  22.093  -1.343   4.587
  179    HA   CYS  33           HA       CYS  33  22.342  -0.529   1.784
  180   1HB   CYS  33          2HB       CYS  33  20.835  -2.906   2.936
  181   2HB   CYS  33          1HB       CYS  33  21.573  -2.767   1.343
  182    H    ALA  34           H        ALA  34  20.795   0.596   0.666
  183    HA   ALA  34           HA       ALA  34  18.186   1.174   1.872
  184   1HB   ALA  34          1HB       ALA  34  19.274   1.742  -0.910
  185   2HB   ALA  34          2HB       ALA  34  19.594   2.762   0.497
  186   3HB   ALA  34          3HB       ALA  34  17.946   2.582  -0.111
  187    H    GLU  35           H        GLU  35  19.474  -1.261  -0.244
  188    HA   GLU  35           HA       GLU  35  16.751  -1.957  -1.256
  189   1HB   GLU  35          2HB       GLU  35  19.393  -1.936  -2.335
  190   2HB   GLU  35          1HB       GLU  35  18.889  -3.622  -2.251
  191   1HG   GLU  35          2HG       GLU  35  17.068  -1.498  -3.386
  192   2HG   GLU  35          1HG       GLU  35  18.274  -2.295  -4.392
  193    H    ALA  36           H        ALA  36  16.257  -4.355  -1.232
  194    HA   ALA  36           HA       ALA  36  17.107  -5.589   1.363
  195   1HB   ALA  36          1HB       ALA  36  14.778  -6.092  -0.530
  196   2HB   ALA  36          2HB       ALA  36  14.711  -5.175   0.976
  197   3HB   ALA  36          3HB       ALA  36  15.016  -6.911   1.015
  198    H    GLU  37           H        GLU  37  17.142  -6.122  -2.144
  199    HA   GLU  37           HA       GLU  37  17.868  -8.938  -1.946
  200   1HB   GLU  37          2HB       GLU  37  17.149  -6.968  -3.931
  201   2HB   GLU  37          1HB       GLU  37  18.589  -7.838  -4.465
  202   1HG   GLU  37          2HG       GLU  37  17.477  -9.958  -4.300
  203   2HG   GLU  37          1HG       GLU  37  16.124  -9.260  -3.414
  204    H    GLY  38           H        GLY  38  19.632  -5.885  -2.248
  205   1HA   GLY  38          2HA       GLY  38  22.183  -7.150  -2.842
  206   2HA   GLY  38          1HA       GLY  38  21.954  -5.461  -2.382
  207    H    CYS  39           H        CYS  39  20.596  -6.024   0.141
  208    HA   CYS  39           HA       CYS  39  22.988  -6.809   1.726
  209   1HB   CYS  39          2HB       CYS  39  21.168  -4.756   1.861
  210   2HB   CYS  39          1HB       CYS  39  20.554  -5.862   3.086
  211    H    LEU  40           H        LEU  40  19.677  -7.913   1.065
  212    HA   LEU  40           HA       LEU  40  18.548  -9.878   1.695
  213   1HB   LEU  40          2HB       LEU  40  21.396 -10.413   1.533
  214   2HB   LEU  40          1HB       LEU  40  20.668 -11.418   2.788
  215    HG   LEU  40           HG       LEU  40  19.396 -11.163   0.059
  216   1HD1  LEU  40          1HD1      LEU  40  20.651 -13.007  -0.747
  217   2HD1  LEU  40          2HD1      LEU  40  21.272 -13.390   0.858
  218   3HD1  LEU  40          3HD1      LEU  40  21.855 -11.960   0.008
  219   1HD2  LEU  40          1HD2      LEU  40  18.556 -13.451   0.738
  220   2HD2  LEU  40          2HD2      LEU  40  17.985 -12.138   1.768
  221   3HD2  LEU  40          3HD2      LEU  40  19.295 -13.186   2.317
  222    H    ARG  41           H        ARG  41  18.722 -11.565   3.828
  223    HA   ARG  41           HA       ARG  41  18.774  -9.799   6.222
  224   1HB   ARG  41          2HB       ARG  41  16.592 -10.967   4.961
  225   2HB   ARG  41          1HB       ARG  41  16.935 -12.076   6.292
  226   1HG   ARG  41          2HG       ARG  41  17.115  -9.857   7.709
  227   2HG   ARG  41          1HG       ARG  41  16.159  -9.171   6.399
  228   1HD   ARG  41          2HD       ARG  41  14.632 -11.280   6.765
  229   2HD   ARG  41          1HD       ARG  41  15.399 -11.329   8.360
  230    HE   ARG  41           HE       ARG  41  13.665  -9.144   7.333
  231   1HH1  ARG  41          1HH2      ARG  41  15.913 -10.267   9.754
  232   2HH1  ARG  41          2HH2      ARG  41  15.329  -9.180  10.950
  233   1HH2  ARG  41          1HH1      ARG  41  12.941  -7.718   8.912
  234   2HH2  ARG  41          2HH1      ARG  41  13.685  -7.711  10.465
  235    H    ARG  42           H        ARG  42  20.992 -10.661   6.569
  236    HA   ARG  42           HA       ARG  42  21.170 -13.534   7.247
  237   1HB   ARG  42          2HB       ARG  42  22.830 -11.617   5.990
  238   2HB   ARG  42          1HB       ARG  42  23.630 -12.053   7.501
  239   1HG   ARG  42          2HG       ARG  42  22.494 -14.292   5.893
  240   2HG   ARG  42          1HG       ARG  42  23.925 -13.497   5.236
  241   1HD   ARG  42          2HD       ARG  42  23.755 -14.534   8.092
  242   2HD   ARG  42          1HD       ARG  42  24.479 -15.440   6.748
  243    HE   ARG  42           HE       ARG  42  25.613 -12.821   6.714
  244   1HH1  ARG  42          1HH2      ARG  42  25.496 -15.612   8.770
  245   2HH1  ARG  42          2HH2      ARG  42  27.073 -15.358   9.411
  246   1HH2  ARG  42          1HH1      ARG  42  27.682 -12.492   7.556
  247   2HH2  ARG  42          2HH1      ARG  42  28.316 -13.603   8.715
  248    H    GLU  43           H        GLU  43  21.643 -10.322   8.670
  249    HA   GLU  43           HA       GLU  43  21.826  -9.624  10.908
  250   1HB   GLU  43          2HB       GLU  43  19.987 -11.918  10.753
  251   2HB   GLU  43          1HB       GLU  43  20.681 -11.681  12.345
  252   1HG   GLU  43          2HG       GLU  43  19.259  -9.997  12.701
  253   2HG   GLU  43          1HG       GLU  43  19.988  -9.116  11.361
  254    H    GLY  44           H        GLY  44  22.371 -10.923  13.259
  255   1HA   GLY  44          2HA       GLY  44  24.268 -13.011  13.218
  256   2HA   GLY  44          1HA       GLY  44  25.164 -11.488  13.064
  257    H    GLN  45           HN       GLN  45  24.101  -9.734  14.719
  258    HA   GLN  45           HA       GLN  45  23.523 -11.023  17.355
  259   1HB   GLN  45          2HB       GLN  45  25.400  -9.718  18.389
  260   2HB   GLN  45          1HB       GLN  45  25.972 -10.883  17.196
  261   1HG   GLN  45          2HG       GLN  45  26.619  -9.246  15.700
  262   2HG   GLN  45          1HG       GLN  45  25.330  -8.146  16.198
  263   1HE2  GLN  45          1HE2      GLN  45  25.656  -6.913  18.209
  264   2HE2  GLN  45          2HE2      GLN  45  27.225  -6.658  18.805
  Start of MODEL   10
    1   1H    ALA   1          1HT       ALA   1  36.956  -3.363 -24.115
    2   2H    ALA   1          2HT       ALA   1  36.861  -4.759 -25.078
    3   3H    ALA   1          3HT       ALA   1  35.504  -3.757 -24.894
    4    HA   ALA   1           HA       ALA   1  36.326  -2.115 -26.291
    5   1HB   ALA   1          1HB       ALA   1  38.768  -1.972 -26.728
    6   2HB   ALA   1          2HB       ALA   1  39.020  -3.419 -25.753
    7   3HB   ALA   1          3HB       ALA   1  38.427  -1.938 -24.998
    8    H    LEU   2           H        LEU   2  35.750  -2.570 -28.391
    9    HA   LEU   2           HA       LEU   2  37.090  -4.656 -29.931
   10   1HB   LEU   2          2HB       LEU   2  35.162  -5.603 -28.367
   11   2HB   LEU   2          1HB       LEU   2  34.123  -4.998 -29.658
   12    HG   LEU   2           HG       LEU   2  36.262  -6.343 -30.933
   13   1HD1  LEU   2          1HD1      LEU   2  36.606  -7.388 -28.645
   14   2HD1  LEU   2          2HD1      LEU   2  36.268  -8.533 -29.944
   15   3HD1  LEU   2          3HD1      LEU   2  34.994  -8.089 -28.808
   16   1HD2  LEU   2          1HD2      LEU   2  33.857  -6.133 -31.633
   17   2HD2  LEU   2          2HD2      LEU   2  33.441  -7.326 -30.402
   18   3HD2  LEU   2          3HD2      LEU   2  34.483  -7.779 -31.751
   19    H    ALA   3           H        ALA   3  36.469  -1.715 -30.118
   20    HA   ALA   3           HA       ALA   3  35.739  -0.137 -31.711
   21   1HB   ALA   3          1HB       ALA   3  37.402  -1.684 -32.871
   22   2HB   ALA   3          2HB       ALA   3  36.302  -0.825 -33.947
   23   3HB   ALA   3          3HB       ALA   3  36.013  -2.522 -33.563
   24    H    ARG   4           H        ARG   4  34.243  -0.709 -34.142
   25    HA   ARG   4           HA       ARG   4  32.008  -0.787 -34.857
   26   1HB   ARG   4          2HB       ARG   4  31.945  -3.037 -32.813
   27   2HB   ARG   4          1HB       ARG   4  30.889  -2.866 -34.214
   28   1HG   ARG   4          2HG       ARG   4  33.826  -2.859 -34.733
   29   2HG   ARG   4          1HG       ARG   4  33.101  -4.393 -34.261
   30   1HD   ARG   4          2HD       ARG   4  32.150  -4.654 -36.311
   31   2HD   ARG   4          1HD       ARG   4  31.462  -3.020 -36.263
   32    HE   ARG   4           HE       ARG   4  33.395  -2.203 -37.384
   33   1HH1  ARG   4          1HH2      ARG   4  33.823  -5.501 -36.314
   34   2HH1  ARG   4          2HH2      ARG   4  35.269  -5.731 -37.221
   35   1HH2  ARG   4          1HH1      ARG   4  35.292  -2.527 -38.542
   36   2HH2  ARG   4          2HH1      ARG   4  36.106  -4.052 -38.472
   37    H    CYS   5           H        CYS   5  29.814  -1.736 -33.015
   38    HA   CYS   5           HA       CYS   5  29.695   0.600 -31.136
   39   1HB   CYS   5          2HB       CYS   5  27.238   0.694 -31.866
   40   2HB   CYS   5          1HB       CYS   5  28.416   1.206 -33.072
   41    HA   PRO   6           HA       PRO   6  28.548  -2.693 -28.391
   42   1HB   PRO   6          2HB       PRO   6  27.988  -1.145 -26.203
   43   2HB   PRO   6          1HB       PRO   6  29.640  -1.521 -26.729
   44   1HG   PRO   6          2HG       PRO   6  28.064   0.967 -27.073
   45   2HG   PRO   6          1HG       PRO   6  29.803   0.753 -26.826
   46   1HD   PRO   6          2HD       PRO   6  28.609   1.296 -29.255
   47   2HD   PRO   6          1HD       PRO   6  30.217   0.563 -29.050
   48    H    GLY   7           H        GLY   7  26.474   0.246 -28.166
   49   1HA   GLY   7          2HA       GLY   7  24.122  -1.434 -27.611
   50   2HA   GLY   7          1HA       GLY   7  24.148   0.327 -27.668
   51    H    CYS   8           H        CYS   8  24.792  -2.353 -29.978
   52    HA   CYS   8           HA       CYS   8  23.307  -0.760 -32.050
   53   1HB   CYS   8          2HB       CYS   8  25.663  -2.487 -31.953
   54   2HB   CYS   8          1HB       CYS   8  24.564  -2.936 -33.257
   55    H    GLY   9           H        GLY   9  22.281  -2.751 -29.841
   56   1HA   GLY   9          2HA       GLY   9  20.075  -3.811 -30.086
   57   2HA   GLY   9          1HA       GLY   9  20.536  -4.288 -31.719
   58    H    GLN  10           H        GLN  10  22.017  -4.678 -28.475
   59    HA   GLN  10           HA       GLN  10  21.800  -7.580 -28.627
   60   1HB   GLN  10          2HB       GLN  10  24.373  -7.779 -28.535
   61   2HB   GLN  10          1HB       GLN  10  23.660  -7.377 -30.093
   62   1HG   GLN  10          2HG       GLN  10  24.329  -5.121 -29.956
   63   2HG   GLN  10          1HG       GLN  10  24.538  -5.196 -28.208
   64   1HE2  GLN  10          1HE2      GLN  10  26.786  -4.444 -28.401
   65   2HE2  GLN  10          2HE2      GLN  10  27.999  -5.481 -28.980
   66    H    GLY  11           H        GLY  11  20.819  -5.869 -26.676
   67   1HA   GLY  11          2HA       GLY  11  22.765  -5.874 -24.438
   68   2HA   GLY  11          1HA       GLY  11  21.189  -5.080 -24.429
   69    H    VAL  12           H        VAL  12  22.530  -8.391 -24.721
   70    HA   VAL  12           HA       VAL  12  20.255  -9.340 -23.001
   71    HB   VAL  12           HB       VAL  12  21.753 -10.816 -25.193
   72   1HG1  VAL  12          1HG1      VAL  12  20.757 -12.323 -23.576
   73   2HG1  VAL  12          2HG1      VAL  12  19.776 -12.349 -25.043
   74   3HG1  VAL  12          3HG1      VAL  12  19.232 -11.442 -23.631
   75   1HG2  VAL  12          1HG2      VAL  12  20.568  -9.300 -26.477
   76   2HG2  VAL  12          2HG2      VAL  12  19.347  -9.039 -25.231
   77   3HG2  VAL  12          3HG2      VAL  12  19.296 -10.494 -26.228
   78    H    GLN  13           H        GLN  13  23.723  -9.303 -23.460
   79    HA   GLN  13           HA       GLN  13  24.266 -11.564 -21.704
   80   1HB   GLN  13          2HB       GLN  13  25.594 -10.359 -23.719
   81   2HB   GLN  13          1HB       GLN  13  26.314  -9.497 -22.360
   82   1HG   GLN  13          2HG       GLN  13  27.675 -11.260 -22.032
   83   2HG   GLN  13          1HG       GLN  13  26.259 -12.212 -21.588
   84   1HE2  GLN  13          1HE2      GLN  13  27.882 -11.055 -24.614
   85   2HE2  GLN  13          2HE2      GLN  13  27.627 -12.501 -25.463
   86    H    ALA  14           H        ALA  14  26.538 -10.014 -20.416
   87    HA   ALA  14           HA       ALA  14  26.958  -8.906 -18.386
   88   1HB   ALA  14          1HB       ALA  14  25.750  -7.174 -19.919
   89   2HB   ALA  14          2HB       ALA  14  25.872  -6.821 -18.198
   90   3HB   ALA  14          3HB       ALA  14  24.360  -7.440 -18.862
   91    H    GLY  15           H        GLY  15  24.958  -7.950 -16.494
   92   1HA   GLY  15          2HA       GLY  15  24.110 -10.572 -15.426
   93   2HA   GLY  15          1HA       GLY  15  24.109  -9.044 -14.542
   94    H    CYS  16           H        CYS  16  22.650  -9.770 -17.727
   95    HA   CYS  16           HA       CYS  16  20.001  -8.985 -16.559
   96   1HB   CYS  16          2HB       CYS  16  21.161  -8.587 -19.342
   97   2HB   CYS  16          1HB       CYS  16  19.568  -8.039 -18.813
   98    HA   PRO  17           HA       PRO  17  19.799 -13.288 -18.415
   99   1HB   PRO  17          2HB       PRO  17  18.796 -14.555 -16.196
  100   2HB   PRO  17          1HB       PRO  17  20.535 -14.374 -16.503
  101   1HG   PRO  17          2HG       PRO  17  18.759 -12.818 -14.693
  102   2HG   PRO  17          1HG       PRO  17  20.433 -13.344 -14.456
  103   1HD   PRO  17          2HD       PRO  17  19.724 -10.801 -15.156
  104   2HD   PRO  17          1HD       PRO  17  21.291 -11.539 -15.561
  105    H    GLY  18           H        GLY  18  18.050 -11.676 -19.384
  106   1HA   GLY  18          2HA       GLY  18  15.746 -12.111 -20.143
  107   2HA   GLY  18          1HA       GLY  18  15.361 -12.668 -18.512
  108    H    GLY  19           H        GLY  19  17.109 -10.161 -17.646
  109   1HA   GLY  19          2HA       GLY  19  15.290  -7.975 -18.366
  110   2HA   GLY  19          1HA       GLY  19  15.237  -8.465 -16.668
  111    H    CYS  20           H        CYS  20  16.578  -6.228 -18.599
  112    HA   CYS  20           HA       CYS  20  19.210  -6.161 -17.167
  113   1HB   CYS  20          2HB       CYS  20  18.589  -6.018 -19.822
  114   2HB   CYS  20          1HB       CYS  20  18.601  -4.305 -19.407
  115    H    VAL  21           H        VAL  21  16.970  -5.369 -15.634
  116    HA   VAL  21           HA       VAL  21  17.417  -2.410 -15.447
  117    HB   VAL  21           HB       VAL  21  15.311  -3.092 -16.682
  118   1HG1  VAL  21          1HG1      VAL  21  15.056  -4.877 -14.531
  119   2HG1  VAL  21          2HG1      VAL  21  13.853  -4.556 -15.780
  120   3HG1  VAL  21          3HG1      VAL  21  13.806  -3.664 -14.260
  121   1HG2  VAL  21          1HG2      VAL  21  13.985  -1.387 -15.680
  122   2HG2  VAL  21          2HG2      VAL  21  15.656  -0.918 -15.368
  123   3HG2  VAL  21          3HG2      VAL  21  14.695  -1.659 -14.088
  124    H    GLU  22           H        GLU  22  18.225  -4.950 -13.856
  125    HA   GLU  22           HA       GLU  22  17.038  -4.269 -11.231
  126   1HB   GLU  22          2HB       GLU  22  17.614  -6.651 -12.537
  127   2HB   GLU  22          1HB       GLU  22  18.927  -6.492 -11.375
  128   1HG   GLU  22          2HG       GLU  22  17.246  -7.610 -10.159
  129   2HG   GLU  22          1HG       GLU  22  17.129  -5.931  -9.634
  130    H    GLU  23           H        GLU  23  19.845  -3.719 -13.115
  131    HA   GLU  23           HA       GLU  23  21.249  -2.576 -10.782
  132   1HB   GLU  23          2HB       GLU  23  23.239  -3.842 -12.371
  133   2HB   GLU  23          1HB       GLU  23  22.742  -4.284 -10.744
  134   1HG   GLU  23          2HG       GLU  23  22.442  -6.277 -11.967
  135   2HG   GLU  23          1HG       GLU  23  20.822  -5.600 -11.893
  136    H    GLU  24           H        GLU  24  20.365  -0.645 -12.062
  137    HA   GLU  24           HA       GLU  24  21.133   0.015 -14.702
  138   1HB   GLU  24          2HB       GLU  24  20.807   1.810 -12.279
  139   2HB   GLU  24          1HB       GLU  24  20.715   2.335 -13.959
  140   1HG   GLU  24          2HG       GLU  24  18.530   1.780 -14.015
  141   2HG   GLU  24          1HG       GLU  24  18.947   0.106 -13.650
  142    H    ASP  25           H        ASP  25  22.772   1.145 -11.707
  143    HA   ASP  25           HA       ASP  25  25.387   0.920 -13.104
  144   1HB   ASP  25          2HB       ASP  25  23.868   3.373 -12.688
  145   2HB   ASP  25          1HB       ASP  25  25.421   3.453 -11.864
  146    H    GLY  26           H        GLY  26  24.025   2.445 -10.144
  147   1HA   GLY  26          2HA       GLY  26  24.451   0.966  -8.036
  148   2HA   GLY  26          1HA       GLY  26  26.132   1.034  -8.563
  149    H    GLY  27           H        GLY  27  23.449   2.965  -7.329
  150   1HA   GLY  27          2HA       GLY  27  24.899   4.603  -5.618
  151   2HA   GLY  27          1HA       GLY  27  24.962   5.442  -7.171
  152    H    SER  28           H        SER  28  22.929   4.545  -4.498
  153    HA   SER  28           HA       SER  28  20.921   6.513  -5.392
  154   1HB   SER  28          2HB       SER  28  19.452   4.149  -4.691
  155   2HB   SER  28          1HB       SER  28  19.455   5.021  -6.218
  156    HG   SER  28           HG       SER  28  20.894   3.649  -7.024
  157    HA   PRO  29           HA       PRO  29  19.844   5.352  -0.938
  158   1HB   PRO  29          2HB       PRO  29  20.963   3.152   0.244
  159   2HB   PRO  29          1HB       PRO  29  19.454   3.089  -0.686
  160   1HG   PRO  29          2HG       PRO  29  22.192   2.263  -1.467
  161   2HG   PRO  29          1HG       PRO  29  20.627   1.569  -1.917
  162   1HD   PRO  29          2HD       PRO  29  22.154   3.210  -3.529
  163   2HD   PRO  29          1HD       PRO  29  20.409   2.939  -3.720
  164    H    ALA  30           H        ALA  30  20.915   6.837   0.342
  165    HA   ALA  30           HA       ALA  30  23.812   7.120   0.225
  166   1HB   ALA  30          1HB       ALA  30  23.329   9.012   1.779
  167   2HB   ALA  30          2HB       ALA  30  21.659   8.453   1.898
  168   3HB   ALA  30          3HB       ALA  30  22.293   9.034   0.356
  169    H    GLU  31           H        GLU  31  21.749   5.175   2.126
  170    HA   GLU  31           HA       GLU  31  23.282   5.226   4.600
  171   1HB   GLU  31          2HB       GLU  31  20.990   4.718   4.845
  172   2HB   GLU  31          1HB       GLU  31  20.971   3.677   3.425
  173   1HG   GLU  31          2HG       GLU  31  20.856   2.190   5.277
  174   2HG   GLU  31          1HG       GLU  31  22.538   2.122   4.756
  175    H    GLY  32           H        GLY  32  22.705   2.741   2.106
  176   1HA   GLY  32          2HA       GLY  32  25.370   1.970   1.657
  177   2HA   GLY  32          1HA       GLY  32  24.808   0.994   3.014
  178    H    CYS  33           H        CYS  33  22.479   0.053   2.580
  179    HA   CYS  33           HA       CYS  33  22.062  -0.677  -0.269
  180   1HB   CYS  33          2HB       CYS  33  22.055  -3.113   0.424
  181   2HB   CYS  33          1HB       CYS  33  23.640  -2.342   0.526
  182    H    ALA  34           H        ALA  34  20.066   0.518   0.023
  183    HA   ALA  34           HA       ALA  34  18.160  -0.336   2.106
  184   1HB   ALA  34          1HB       ALA  34  17.801   1.543  -0.250
  185   2HB   ALA  34          2HB       ALA  34  18.516   2.023   1.293
  186   3HB   ALA  34          3HB       ALA  34  16.839   1.484   1.227
  187    H    GLU  35           H        GLU  35  18.874  -2.458   0.227
  188    HA   GLU  35           HA       GLU  35  16.318  -2.734  -1.316
  189   1HB   GLU  35          2HB       GLU  35  19.153  -3.226  -1.875
  190   2HB   GLU  35          1HB       GLU  35  18.133  -4.613  -2.273
  191   1HG   GLU  35          2HG       GLU  35  17.965  -3.382  -4.244
  192   2HG   GLU  35          1HG       GLU  35  16.581  -2.753  -3.357
  193    H    ALA  36           H        ALA  36  15.492  -4.991  -1.430
  194    HA   ALA  36           HA       ALA  36  15.774  -6.346   1.216
  195   1HB   ALA  36          1HB       ALA  36  13.683  -6.089  -0.916
  196   2HB   ALA  36          2HB       ALA  36  13.541  -5.826   0.819
  197   3HB   ALA  36          3HB       ALA  36  13.607  -7.469   0.181
  198    H    GLU  37           H        GLU  37  17.062  -6.781  -1.876
  199    HA   GLU  37           HA       GLU  37  16.663  -9.664  -2.098
  200   1HB   GLU  37          2HB       GLU  37  18.310  -9.396  -3.972
  201   2HB   GLU  37          1HB       GLU  37  16.936  -8.290  -4.078
  202   1HG   GLU  37          2HG       GLU  37  19.020  -7.060  -2.508
  203   2HG   GLU  37          1HG       GLU  37  19.696  -7.618  -4.038
  204    H    GLY  38           H        GLY  38  19.132  -7.585  -0.627
  205   1HA   GLY  38          2HA       GLY  38  20.537 -10.105   0.190
  206   2HA   GLY  38          1HA       GLY  38  21.455  -8.722  -0.398
  207    H    CYS  39           H        CYS  39  20.242  -6.612   0.940
  208    HA   CYS  39           HA       CYS  39  21.342  -7.009   3.615
  209   1HB   CYS  39          2HB       CYS  39  20.253  -4.751   1.991
  210   2HB   CYS  39          1HB       CYS  39  20.358  -4.543   3.733
  211    H    LEU  40           H        LEU  40  18.328  -7.846   2.449
  212    HA   LEU  40           HA       LEU  40  16.659  -6.859   4.619
  213   1HB   LEU  40          2HB       LEU  40  16.197  -7.814   2.135
  214   2HB   LEU  40          1HB       LEU  40  15.918  -9.288   3.059
  215    HG   LEU  40           HG       LEU  40  14.526  -6.617   3.414
  216   1HD1  LEU  40          1HD1      LEU  40  12.764  -7.558   2.335
  217   2HD1  LEU  40          2HD1      LEU  40  13.009  -9.126   3.102
  218   3HD1  LEU  40          3HD1      LEU  40  13.967  -8.675   1.692
  219   1HD2  LEU  40          1HD2      LEU  40  13.305  -7.642   5.261
  220   2HD2  LEU  40          2HD2      LEU  40  15.031  -7.743   5.605
  221   3HD2  LEU  40          3HD2      LEU  40  14.161  -9.165   5.026
  222    H    ARG  41           H        ARG  41  18.728  -7.853   5.984
  223    HA   ARG  41           HA       ARG  41  17.643  -9.918   7.647
  224   1HB   ARG  41          2HB       ARG  41  19.280 -11.716   6.994
  225   2HB   ARG  41          1HB       ARG  41  18.105 -11.346   5.735
  226   1HG   ARG  41          2HG       ARG  41  19.841  -9.777   4.731
  227   2HG   ARG  41          1HG       ARG  41  21.000 -10.457   5.875
  228   1HD   ARG  41          2HD       ARG  41  19.619 -12.639   4.608
  229   2HD   ARG  41          1HD       ARG  41  20.214 -11.536   3.348
  230    HE   ARG  41           HE       ARG  41  22.292 -11.790   5.246
  231   1HH1  ARG  41          1HH2      ARG  41  20.510 -13.816   3.053
  232   2HH1  ARG  41          2HH2      ARG  41  21.832 -14.894   2.777
  233   1HH2  ARG  41          1HH1      ARG  41  24.017 -13.199   4.874
  234   2HH2  ARG  41          2HH1      ARG  41  23.809 -14.542   3.803
  235    H    ARG  42           H        ARG  42  18.915  -7.395   8.105
  236    HA   ARG  42           HA       ARG  42  21.399  -8.231   9.520
  237   1HB   ARG  42          2HB       ARG  42  21.276  -6.528   7.403
  238   2HB   ARG  42          1HB       ARG  42  21.039  -5.386   8.730
  239   1HG   ARG  42          2HG       ARG  42  23.059  -6.669   9.819
  240   2HG   ARG  42          1HG       ARG  42  23.402  -7.152   8.157
  241   1HD   ARG  42          2HD       ARG  42  22.852  -4.389   8.016
  242   2HD   ARG  42          1HD       ARG  42  23.894  -4.590   9.437
  243    HE   ARG  42           HE       ARG  42  24.684  -5.053   6.670
  244   1HH1  ARG  42          1HH2      ARG  42  25.174  -6.029   9.975
  245   2HH1  ARG  42          2HH2      ARG  42  26.764  -6.644   9.687
  246   1HH2  ARG  42          1HH1      ARG  42  26.758  -5.843   6.313
  247   2HH2  ARG  42          2HH1      ARG  42  27.664  -6.526   7.619
  248    H    GLU  43           H        GLU  43  18.275  -7.514  10.157
  249    HA   GLU  43           HA       GLU  43  18.604  -5.507  12.247
  250   1HB   GLU  43          2HB       GLU  43  16.567  -6.291  10.688
  251   2HB   GLU  43          1HB       GLU  43  16.234  -7.310  12.086
  252   1HG   GLU  43          2HG       GLU  43  15.195  -5.512  12.972
  253   2HG   GLU  43          1HG       GLU  43  16.804  -4.838  13.219
  254    H    GLY  44           H        GLY  44  20.461  -7.108  13.076
  255   1HA   GLY  44          2HA       GLY  44  19.398  -8.382  15.493
  256   2HA   GLY  44          1HA       GLY  44  20.132  -9.508  14.350
  257    H    GLN  45           HN       GLN  45  20.834  -6.433  16.031
  258    HA   GLN  45           HA       GLN  45  23.741  -7.151  15.978
  259   1HB   GLN  45          2HB       GLN  45  22.228  -4.814  15.378
  260   2HB   GLN  45          1HB       GLN  45  23.169  -4.461  16.827
  261   1HG   GLN  45          2HG       GLN  45  25.194  -5.406  15.605
  262   2HG   GLN  45          1HG       GLN  45  24.206  -5.408  14.142
  263   1HE2  GLN  45          1HE2      GLN  45  25.049  -3.127  16.815
  264   2HE2  GLN  45          2HE2      GLN  45  25.175  -1.770  15.807
  Start of MODEL   11
    1   1H    ALA   1          1HT       ALA   1 -18.349   6.046   1.257
    2   2H    ALA   1          2HT       ALA   1 -17.196   5.438   2.339
    3   3H    ALA   1          3HT       ALA   1 -18.739   4.731   2.252
    4    HA   ALA   1           HA       ALA   1 -16.818   4.756  -0.023
    5   1HB   ALA   1          1HB       ALA   1 -15.928   3.601   1.985
    6   2HB   ALA   1          2HB       ALA   1 -16.310   2.447   0.707
    7   3HB   ALA   1          3HB       ALA   1 -17.402   2.636   2.080
    8    H    LEU   2           H        LEU   2 -18.457   4.943  -1.616
    9    HA   LEU   2           HA       LEU   2 -20.036   2.579  -2.161
   10   1HB   LEU   2          2HB       LEU   2 -21.148   4.122  -0.256
   11   2HB   LEU   2          1HB       LEU   2 -21.760   4.974  -1.674
   12    HG   LEU   2           HG       LEU   2 -21.989   2.055  -1.901
   13   1HD1  LEU   2          1HD1      LEU   2 -23.573   3.507   0.241
   14   2HD1  LEU   2          2HD1      LEU   2 -22.335   2.287   0.540
   15   3HD1  LEU   2          3HD1      LEU   2 -23.829   1.841  -0.283
   16   1HD2  LEU   2          1HD2      LEU   2 -24.086   4.243  -1.993
   17   2HD2  LEU   2          2HD2      LEU   2 -24.190   2.636  -2.714
   18   3HD2  LEU   2          3HD2      LEU   2 -23.057   3.823  -3.362
   19    H    ALA   3           H        ALA   3 -18.981   2.854  -4.244
   20    HA   ALA   3           HA       ALA   3 -20.401   4.623  -6.079
   21   1HB   ALA   3          1HB       ALA   3 -18.468   5.979  -6.672
   22   2HB   ALA   3          2HB       ALA   3 -17.432   5.031  -5.606
   23   3HB   ALA   3          3HB       ALA   3 -18.683   6.071  -4.924
   24    H    ARG   4           H        ARG   4 -20.617   3.341  -7.879
   25    HA   ARG   4           HA       ARG   4 -18.739   1.124  -8.338
   26   1HB   ARG   4          2HB       ARG   4 -21.346   1.163  -8.477
   27   2HB   ARG   4          1HB       ARG   4 -21.090   1.878 -10.067
   28   1HG   ARG   4          2HG       ARG   4 -19.410  -0.484  -9.542
   29   2HG   ARG   4          1HG       ARG   4 -21.139  -0.830  -9.548
   30   1HD   ARG   4          2HD       ARG   4 -20.215   0.938 -11.748
   31   2HD   ARG   4          1HD       ARG   4 -19.630  -0.736 -11.821
   32    HE   ARG   4           HE       ARG   4 -22.423  -0.738 -11.140
   33   1HH1  ARG   4          1HH2      ARG   4 -20.240  -0.137 -13.778
   34   2HH1  ARG   4          2HH2      ARG   4 -21.386  -0.581 -14.991
   35   1HH2  ARG   4          1HH1      ARG   4 -23.919  -1.324 -12.733
   36   2HH2  ARG   4          2HH1      ARG   4 -23.471  -1.244 -14.403
   37    H    CYS   5           H        CYS   5 -16.856   2.340  -9.012
   38    HA   CYS   5           HA       CYS   5 -17.016   3.293 -11.831
   39   1HB   CYS   5          2HB       CYS   5 -16.348   5.409 -11.273
   40   2HB   CYS   5          1HB       CYS   5 -17.075   5.012  -9.725
   41    HA   PRO   6           HA       PRO   6 -13.228   1.070 -12.147
   42   1HB   PRO   6          2HB       PRO   6 -11.984   2.404 -14.191
   43   2HB   PRO   6          1HB       PRO   6 -13.369   1.323 -14.438
   44   1HG   PRO   6          2HG       PRO   6 -13.269   4.286 -14.390
   45   2HG   PRO   6          1HG       PRO   6 -14.296   3.204 -15.339
   46   1HD   PRO   6          2HD       PRO   6 -15.108   4.574 -13.081
   47   2HD   PRO   6          1HD       PRO   6 -15.897   3.118 -13.731
   48    H    GLY   7           H        GLY   7 -12.598   4.598 -12.468
   49   1HA   GLY   7          2HA       GLY   7 -10.030   4.312 -11.050
   50   2HA   GLY   7          1HA       GLY   7 -10.688   5.810 -11.710
   51    H    CYS   8           H        CYS   8 -11.651   3.412  -9.222
   52    HA   CYS   8           HA       CYS   8 -12.711   5.639  -7.550
   53   1HB   CYS   8          2HB       CYS   8 -13.049   2.699  -7.831
   54   2HB   CYS   8          1HB       CYS   8 -13.297   3.362  -6.218
   55    H    GLY   9           H        GLY   9  -9.737   4.946  -7.927
   56   1HA   GLY   9          2HA       GLY   9  -9.077   4.957  -5.033
   57   2HA   GLY   9          1HA       GLY   9  -8.299   3.741  -6.048
   58    H    GLN  10           H        GLN  10  -6.181   4.577  -5.902
   59    HA   GLN  10           HA       GLN  10  -5.346   7.265  -6.056
   60   1HB   GLN  10          2HB       GLN  10  -4.209   4.567  -6.589
   61   2HB   GLN  10          1HB       GLN  10  -3.316   5.930  -7.264
   62   1HG   GLN  10          2HG       GLN  10  -3.803   6.899  -4.786
   63   2HG   GLN  10          1HG       GLN  10  -3.744   5.175  -4.422
   64   1HE2  GLN  10          1HE2      GLN  10  -1.653   5.619  -3.266
   65   2HE2  GLN  10          2HE2      GLN  10  -0.227   5.808  -4.164
   66    H    GLY  11           H        GLY  11  -5.708   4.949  -8.780
   67   1HA   GLY  11          2HA       GLY  11  -6.700   5.744 -10.900
   68   2HA   GLY  11          1HA       GLY  11  -5.961   7.315 -10.592
   69    H    VAL  12           H        VAL  12  -3.421   5.896  -9.666
   70    HA   VAL  12           HA       VAL  12  -2.291   5.538 -12.398
   71    HB   VAL  12           HB       VAL  12  -0.131   5.771 -11.147
   72   1HG1  VAL  12          1HG1      VAL  12  -2.068   7.948 -10.334
   73   2HG1  VAL  12          2HG1      VAL  12  -1.528   7.736 -12.000
   74   3HG1  VAL  12          3HG1      VAL  12  -0.358   8.108 -10.735
   75   1HG2  VAL  12          1HG2      VAL  12  -1.665   6.545  -8.689
   76   2HG2  VAL  12          2HG2      VAL  12  -0.011   5.956  -8.838
   77   3HG2  VAL  12          3HG2      VAL  12  -1.360   4.832  -8.976
   78    H    GLN  13           H        GLN  13  -3.892   3.385 -11.638
   79    HA   GLN  13           HA       GLN  13  -3.894   1.051 -11.375
   80   1HB   GLN  13          2HB       GLN  13  -1.039   1.331 -12.230
   81   2HB   GLN  13          1HB       GLN  13  -2.121  -0.007 -12.548
   82   1HG   GLN  13          2HG       GLN  13  -3.449   2.231 -13.591
   83   2HG   GLN  13          1HG       GLN  13  -1.765   2.458 -14.050
   84   1HE2  GLN  13          1HE2      GLN  13  -4.505   1.223 -15.309
   85   2HE2  GLN  13          2HE2      GLN  13  -3.878  -0.070 -16.210
   86    H    ALA  14           H        ALA  14  -3.534   2.279  -8.915
   87    HA   ALA  14           HA       ALA  14  -1.258   0.840  -7.612
   88   1HB   ALA  14          1HB       ALA  14  -3.084   2.880  -6.338
   89   2HB   ALA  14          2HB       ALA  14  -1.790   3.390  -7.423
   90   3HB   ALA  14          3HB       ALA  14  -1.405   2.510  -5.945
   91    H    GLY  15           H        GLY  15  -1.756  -0.255  -5.518
   92   1HA   GLY  15          2HA       GLY  15  -3.095  -1.574  -4.083
   93   2HA   GLY  15          1HA       GLY  15  -4.523  -0.844  -4.821
   94    H    CYS  16           H        CYS  16  -1.928  -3.188  -5.557
   95    HA   CYS  16           HA       CYS  16  -3.478  -4.449  -7.703
   96   1HB   CYS  16          2HB       CYS  16  -1.529  -5.870  -7.866
   97   2HB   CYS  16          1HB       CYS  16  -0.942  -4.248  -7.494
   98    HA   PRO  17           HA       PRO  17  -5.491  -7.529  -5.243
   99   1HB   PRO  17          2HB       PRO  17  -5.401  -9.728  -6.868
  100   2HB   PRO  17          1HB       PRO  17  -6.442  -8.331  -7.199
  101   1HG   PRO  17          2HG       PRO  17  -3.870  -9.114  -8.451
  102   2HG   PRO  17          1HG       PRO  17  -5.274  -8.303  -9.159
  103   1HD   PRO  17          2HD       PRO  17  -2.929  -7.048  -8.394
  104   2HD   PRO  17          1HD       PRO  17  -4.500  -6.240  -8.622
  105    H    GLY  18           H        GLY  18  -2.931  -7.219  -4.250
  106   1HA   GLY  18          2HA       GLY  18  -1.673  -8.530  -2.685
  107   2HA   GLY  18          1HA       GLY  18  -2.205  -9.993  -3.517
  108    H    GLY  19           H        GLY  19  -1.472  -9.318  -6.162
  109   1HA   GLY  19          2HA       GLY  19   1.367  -9.891  -6.065
  110   2HA   GLY  19          1HA       GLY  19   0.401  -9.685  -7.528
  111    H    CYS  20           H        CYS  20   2.152  -7.938  -5.003
  112    HA   CYS  20           HA       CYS  20   2.254  -5.546  -6.825
  113   1HB   CYS  20          2HB       CYS  20   1.908  -5.935  -3.899
  114   2HB   CYS  20          1HB       CYS  20   2.908  -4.568  -4.386
  115    H    VAL  21           H        VAL  21   4.229  -5.346  -7.752
  116    HA   VAL  21           HA       VAL  21   6.588  -6.712  -6.643
  117    HB   VAL  21           HB       VAL  21   6.366  -4.810  -9.003
  118   1HG1  VAL  21          1HG1      VAL  21   8.242  -6.256  -9.855
  119   2HG1  VAL  21          2HG1      VAL  21   8.267  -7.062  -8.286
  120   3HG1  VAL  21          3HG1      VAL  21   8.652  -5.346  -8.402
  121   1HG2  VAL  21          1HG2      VAL  21   4.783  -6.376  -9.654
  122   2HG2  VAL  21          2HG2      VAL  21   5.487  -7.655  -8.664
  123   3HG2  VAL  21          3HG2      VAL  21   6.245  -7.201 -10.191
  124    H    GLU  22           H        GLU  22   6.465  -5.340  -4.602
  125    HA   GLU  22           HA       GLU  22   7.363  -2.547  -4.908
  126   1HB   GLU  22          2HB       GLU  22   6.596  -4.265  -2.527
  127   2HB   GLU  22          1HB       GLU  22   6.901  -2.535  -2.465
  128   1HG   GLU  22          2HG       GLU  22   5.002  -2.051  -3.844
  129   2HG   GLU  22          1HG       GLU  22   4.808  -3.747  -4.278
  130    H    GLU  23           H        GLU  23   9.272  -4.553  -5.713
  131    HA   GLU  23           HA       GLU  23  11.492  -3.892  -3.921
  132   1HB   GLU  23          2HB       GLU  23  11.973  -6.506  -3.916
  133   2HB   GLU  23          1HB       GLU  23  10.904  -5.797  -2.711
  134   1HG   GLU  23          2HG       GLU  23   8.951  -6.359  -4.175
  135   2HG   GLU  23          1HG       GLU  23  10.059  -7.156  -5.292
  136    H    GLU  24           H        GLU  24  11.460  -2.929  -6.386
  137    HA   GLU  24           HA       GLU  24  12.954  -4.835  -8.119
  138   1HB   GLU  24          2HB       GLU  24  11.964  -2.305  -9.280
  139   2HB   GLU  24          1HB       GLU  24  11.828  -3.946  -9.897
  140   1HG   GLU  24          2HG       GLU  24   9.617  -3.657  -9.400
  141   2HG   GLU  24          1HG       GLU  24  10.131  -4.099  -7.775
  142    H    ASP  25           H        ASP  25  14.955  -4.121  -9.047
  143    HA   ASP  25           HA       ASP  25  16.211  -1.815  -7.649
  144   1HB   ASP  25          2HB       ASP  25  18.281  -2.872  -8.279
  145   2HB   ASP  25          1HB       ASP  25  17.209  -4.173  -7.776
  146    H    GLY  26           H        GLY  26  17.868  -0.630  -9.222
  147   1HA   GLY  26          2HA       GLY  26  16.466  -0.117 -11.819
  148   2HA   GLY  26          1HA       GLY  26  17.077   1.209 -10.828
  149    H    GLY  27           H        GLY  27  18.872  -1.818 -11.134
  150   1HA   GLY  27          2HA       GLY  27  20.896  -2.292 -12.252
  151   2HA   GLY  27          1HA       GLY  27  20.560  -0.936 -13.330
  152    H    SER  28           H        SER  28  20.840   1.295 -12.196
  153    HA   SER  28           HA       SER  28  23.532   1.357 -10.998
  154   1HB   SER  28          2HB       SER  28  21.506   3.493 -11.722
  155   2HB   SER  28          1HB       SER  28  23.174   3.812 -11.250
  156    HG   SER  28           HG       SER  28  22.255   3.242 -13.655
  157    HA   PRO  29           HA       PRO  29  21.665   1.288  -6.902
  158   1HB   PRO  29          2HB       PRO  29  24.032   1.239  -5.528
  159   2HB   PRO  29          1HB       PRO  29  23.315  -0.196  -6.288
  160   1HG   PRO  29          2HG       PRO  29  25.521   1.554  -7.262
  161   2HG   PRO  29          1HG       PRO  29  25.355  -0.208  -7.356
  162   1HD   PRO  29          2HD       PRO  29  24.868   1.451  -9.454
  163   2HD   PRO  29          1HD       PRO  29  24.058  -0.117  -9.242
  164    H    ALA  30           H        ALA  30  21.510   2.835  -5.156
  165    HA   ALA  30           HA       ALA  30  22.683   5.496  -5.789
  166   1HB   ALA  30          1HB       ALA  30  20.340   5.624  -5.959
  167   2HB   ALA  30          2HB       ALA  30  20.653   6.198  -4.321
  168   3HB   ALA  30          3HB       ALA  30  20.097   4.545  -4.584
  169    H    GLU  31           H        GLU  31  21.668   3.483  -3.002
  170    HA   GLU  31           HA       GLU  31  23.556   4.974  -1.263
  171   1HB   GLU  31          2HB       GLU  31  21.206   4.825  -0.568
  172   2HB   GLU  31          1HB       GLU  31  21.270   3.068  -0.683
  173   1HG   GLU  31          2HG       GLU  31  21.898   3.041   1.480
  174   2HG   GLU  31          1HG       GLU  31  23.426   3.755   0.969
  175    H    GLY  32           H        GLY  32  22.473   1.583  -1.514
  176   1HA   GLY  32          2HA       GLY  32  24.697   0.204  -2.222
  177   2HA   GLY  32          1HA       GLY  32  25.117   0.669  -0.572
  178    H    CYS  33           H        CYS  33  23.015   0.295   0.949
  179    HA   CYS  33           HA       CYS  33  21.895  -2.411   0.294
  180   1HB   CYS  33          2HB       CYS  33  23.429  -1.429   2.700
  181   2HB   CYS  33          1HB       CYS  33  22.280  -2.755   2.867
  182    H    ALA  34           H        ALA  34  20.211  -0.461  -0.240
  183    HA   ALA  34           HA       ALA  34  18.498  -0.124   2.214
  184   1HB   ALA  34          1HB       ALA  34  19.564   1.961   1.376
  185   2HB   ALA  34          2HB       ALA  34  17.811   2.019   1.204
  186   3HB   ALA  34          3HB       ALA  34  18.825   1.693  -0.203
  187    H    GLU  35           H        GLU  35  18.576  -2.250   0.042
  188    HA   GLU  35           HA       GLU  35  15.834  -1.857  -1.104
  189   1HB   GLU  35          2HB       GLU  35  18.330  -3.300  -2.045
  190   2HB   GLU  35          1HB       GLU  35  16.758  -3.543  -2.808
  191   1HG   GLU  35          2HG       GLU  35  17.776  -1.826  -4.091
  192   2HG   GLU  35          1HG       GLU  35  16.658  -0.976  -3.028
  193    H    ALA  36           H        ALA  36  15.128  -4.368  -1.768
  194    HA   ALA  36           HA       ALA  36  14.802  -5.710   0.859
  195   1HB   ALA  36          1HB       ALA  36  12.914  -5.186  -0.702
  196   2HB   ALA  36          2HB       ALA  36  13.029  -6.901  -0.305
  197   3HB   ALA  36          3HB       ALA  36  13.610  -6.313  -1.863
  198    H    GLU  37           H        GLU  37  16.513  -6.224  -2.193
  199    HA   GLU  37           HA       GLU  37  16.951  -9.079  -1.749
  200   1HB   GLU  37          2HB       GLU  37  16.810  -7.947  -3.982
  201   2HB   GLU  37          1HB       GLU  37  18.325  -7.113  -3.617
  202   1HG   GLU  37          2HG       GLU  37  19.451  -8.893  -4.405
  203   2HG   GLU  37          1HG       GLU  37  18.781  -9.864  -3.097
  204    H    GLY  38           H        GLY  38  17.759  -7.924   0.603
  205   1HA   GLY  38          2HA       GLY  38  19.588  -7.585   2.063
  206   2HA   GLY  38          1HA       GLY  38  20.331  -8.873   1.108
  207    H    CYS  39           H        CYS  39  22.150  -8.347   0.021
  208    HA   CYS  39           HA       CYS  39  22.586  -5.542  -0.886
  209   1HB   CYS  39          2HB       CYS  39  24.358  -7.197   0.941
  210   2HB   CYS  39          1HB       CYS  39  24.927  -5.753   0.108
  211    H    LEU  40           H        LEU  40  23.772  -5.492  -2.842
  212    HA   LEU  40           HA       LEU  40  24.019  -7.935  -4.343
  213   1HB   LEU  40          2HB       LEU  40  24.354  -5.044  -4.695
  214   2HB   LEU  40          1HB       LEU  40  25.505  -5.980  -5.647
  215    HG   LEU  40           HG       LEU  40  22.547  -6.620  -5.612
  216   1HD1  LEU  40          1HD1      LEU  40  22.632  -5.442  -7.912
  217   2HD1  LEU  40          2HD1      LEU  40  24.108  -4.678  -7.322
  218   3HD1  LEU  40          3HD1      LEU  40  22.581  -4.414  -6.480
  219   1HD2  LEU  40          1HD2      LEU  40  23.198  -7.639  -7.834
  220   2HD2  LEU  40          2HD2      LEU  40  23.920  -8.422  -6.429
  221   3HD2  LEU  40          3HD2      LEU  40  24.881  -7.317  -7.415
  222    H    ARG  41           H        ARG  41  26.381  -7.974  -5.640
  223    HA   ARG  41           HA       ARG  41  28.335  -8.563  -3.486
  224   1HB   ARG  41          2HB       ARG  41  28.071  -9.521  -6.348
  225   2HB   ARG  41          1HB       ARG  41  29.309 -10.071  -5.218
  226   1HG   ARG  41          2HG       ARG  41  27.868 -11.450  -4.136
  227   2HG   ARG  41          1HG       ARG  41  26.582 -10.241  -4.123
  228   1HD   ARG  41          2HD       ARG  41  25.787 -12.048  -5.513
  229   2HD   ARG  41          1HD       ARG  41  26.279 -10.760  -6.631
  230    HE   ARG  41           HE       ARG  41  28.563 -12.376  -6.093
  231   1HH1  ARG  41          1HH2      ARG  41  25.463 -12.545  -7.663
  232   2HH1  ARG  41          2HH2      ARG  41  25.966 -13.744  -8.799
  233   1HH2  ARG  41          1HH1      ARG  41  29.213 -13.951  -7.583
  234   2HH2  ARG  41          2HH1      ARG  41  28.091 -14.527  -8.769
  235    H    ARG  42           H        ARG  42  29.910  -7.059  -3.233
  236    HA   ARG  42           HA       ARG  42  31.597  -5.500  -3.701
  237   1HB   ARG  42          2HB       ARG  42  32.155  -7.500  -5.204
  238   2HB   ARG  42          1HB       ARG  42  31.433  -6.573  -6.521
  239   1HG   ARG  42          2HG       ARG  42  33.030  -4.809  -6.291
  240   2HG   ARG  42          1HG       ARG  42  33.616  -5.447  -4.756
  241   1HD   ARG  42          2HD       ARG  42  35.207  -5.991  -6.570
  242   2HD   ARG  42          1HD       ARG  42  34.447  -7.477  -5.962
  243    HE   ARG  42           HE       ARG  42  32.738  -6.609  -7.991
  244   1HH1  ARG  42          1HH2      ARG  42  36.121  -7.407  -7.710
  245   2HH1  ARG  42          2HH2      ARG  42  36.240  -7.934  -9.346
  246   1HH2  ARG  42          1HH1      ARG  42  32.925  -7.313 -10.119
  247   2HH2  ARG  42          2HH1      ARG  42  34.446  -7.860 -10.729
  248    H    GLU  43           H        GLU  43  29.142  -4.265  -3.686
  249    HA   GLU  43           HA       GLU  43  28.926  -2.677  -6.173
  250   1HB   GLU  43          2HB       GLU  43  27.250  -2.863  -3.648
  251   2HB   GLU  43          1HB       GLU  43  26.851  -1.833  -5.023
  252   1HG   GLU  43          2HG       GLU  43  27.068  -4.856  -5.024
  253   2HG   GLU  43          1HG       GLU  43  25.603  -3.901  -5.228
  254    H    GLY  44           H        GLY  44  29.571  -0.536  -6.237
  255   1HA   GLY  44          2HA       GLY  44  29.913   1.629  -5.079
  256   2HA   GLY  44          1HA       GLY  44  30.454   0.719  -3.666
  257    H    GLN  45           HN       GLN  45  32.183  -1.111  -4.809
  258    HA   GLN  45           HA       GLN  45  34.481   0.619  -5.525
  259   1HB   GLN  45          2HB       GLN  45  34.140  -2.326  -4.861
  260   2HB   GLN  45          1HB       GLN  45  35.699  -1.574  -5.202
  261   1HG   GLN  45          2HG       GLN  45  35.793  -1.107  -2.992
  262   2HG   GLN  45          1HG       GLN  45  34.579   0.131  -3.318
  263   1HE2  GLN  45          1HE2      GLN  45  32.587  -0.132  -2.242
  264   2HE2  GLN  45          2HE2      GLN  45  32.083  -1.571  -1.498
  Start of MODEL   12
    1   1H    ALA   1          1HT       ALA   1  27.023  38.398  26.179
    2   2H    ALA   1          2HT       ALA   1  27.312  38.740  24.542
    3   3H    ALA   1          3HT       ALA   1  28.596  38.739  25.653
    4    HA   ALA   1           HA       ALA   1  28.303  36.355  26.018
    5   1HB   ALA   1          1HB       ALA   1  26.598  35.196  24.721
    6   2HB   ALA   1          2HB       ALA   1  26.230  36.663  23.814
    7   3HB   ALA   1          3HB       ALA   1  25.822  36.560  25.528
    8    H    LEU   2           H        LEU   2  29.281  34.791  24.459
    9    HA   LEU   2           HA       LEU   2  31.116  36.098  22.634
   10   1HB   LEU   2          2HB       LEU   2  31.970  33.811  22.349
   11   2HB   LEU   2          1HB       LEU   2  31.661  34.132  24.054
   12    HG   LEU   2           HG       LEU   2  29.238  33.127  22.936
   13   1HD1  LEU   2          1HD1      LEU   2  29.909  30.991  22.031
   14   2HD1  LEU   2          2HD1      LEU   2  31.609  31.326  22.369
   15   3HD1  LEU   2          3HD1      LEU   2  30.756  32.247  21.128
   16   1HD2  LEU   2          1HD2      LEU   2  31.146  31.481  24.574
   17   2HD2  LEU   2          2HD2      LEU   2  29.392  31.607  24.701
   18   3HD2  LEU   2          3HD2      LEU   2  30.415  32.924  25.273
   19    H    ALA   3           H        ALA   3  31.366  34.775  20.377
   20    HA   ALA   3           HA       ALA   3  28.856  34.038  19.098
   21   1HB   ALA   3          1HB       ALA   3  28.462  35.996  17.912
   22   2HB   ALA   3          2HB       ALA   3  30.163  36.461  17.923
   23   3HB   ALA   3          3HB       ALA   3  29.177  36.683  19.369
   24    H    ARG   4           H        ARG   4  29.640  34.534  16.438
   25    HA   ARG   4           HA       ARG   4  31.425  32.390  15.880
   26   1HB   ARG   4          2HB       ARG   4  30.622  34.811  14.226
   27   2HB   ARG   4          1HB       ARG   4  31.355  33.350  13.565
   28   1HG   ARG   4          2HG       ARG   4  29.329  32.357  13.467
   29   2HG   ARG   4          1HG       ARG   4  29.117  32.595  15.203
   30   1HD   ARG   4          2HD       ARG   4  27.505  34.150  14.760
   31   2HD   ARG   4          1HD       ARG   4  28.724  35.146  13.942
   32    HE   ARG   4           HE       ARG   4  28.023  34.267  11.860
   33   1HH1  ARG   4          1HH2      ARG   4  26.705  32.451  14.517
   34   2HH1  ARG   4          2HH2      ARG   4  25.548  31.617  13.541
   35   1HH2  ARG   4          1HH1      ARG   4  26.508  33.160  10.579
   36   2HH2  ARG   4          2HH1      ARG   4  25.434  32.016  11.317
   37    H    CYS   5           H        CYS   5  33.643  32.339  15.750
   38    HA   CYS   5           HA       CYS   5  35.157  34.757  16.501
   39   1HB   CYS   5          2HB       CYS   5  36.820  33.236  17.091
   40   2HB   CYS   5          1HB       CYS   5  35.403  32.198  17.209
   41    HA   PRO   6           HA       PRO   6  36.270  35.694  12.339
   42   1HB   PRO   6          2HB       PRO   6  38.449  37.276  12.801
   43   2HB   PRO   6          1HB       PRO   6  36.786  37.789  13.136
   44   1HG   PRO   6          2HG       PRO   6  38.905  36.941  15.005
   45   2HG   PRO   6          1HG       PRO   6  37.551  38.051  15.253
   46   1HD   PRO   6          2HD       PRO   6  37.707  35.382  16.107
   47   2HD   PRO   6          1HD       PRO   6  36.255  36.410  16.092
   48    H    GLY   7           H        GLY   7  37.205  33.115  13.066
   49   1HA   GLY   7          2HA       GLY   7  39.141  32.497  11.173
   50   2HA   GLY   7          1HA       GLY   7  40.069  32.876  12.622
   51    H    CYS   8           H        CYS   8  36.904  31.263  12.413
   52    HA   CYS   8           HA       CYS   8  37.802  29.138  14.219
   53   1HB   CYS   8          2HB       CYS   8  35.274  29.928  12.782
   54   2HB   CYS   8          1HB       CYS   8  35.378  28.349  13.557
   55    H    GLY   9           H        GLY   9  36.911  26.788  13.393
   56   1HA   GLY   9          2HA       GLY   9  38.557  26.174  11.027
   57   2HA   GLY   9          1HA       GLY   9  37.792  24.994  12.093
   58    H    GLN  10           H        GLN  10  35.417  24.712  11.857
   59    HA   GLN  10           HA       GLN  10  34.623  24.450   9.112
   60   1HB   GLN  10          2HB       GLN  10  33.619  23.861  11.799
   61   2HB   GLN  10          1HB       GLN  10  32.322  24.305  10.690
   62   1HG   GLN  10          2HG       GLN  10  34.138  22.552   9.320
   63   2HG   GLN  10          1HG       GLN  10  33.692  21.817  10.860
   64   1HE2  GLN  10          1HE2      GLN  10  32.768  21.467   7.842
   65   2HE2  GLN  10          2HE2      GLN  10  31.080  21.391   7.994
   66    H    GLY  11           H        GLY  11  32.817  26.327  11.576
   67   1HA   GLY  11          2HA       GLY  11  31.836  28.468  11.427
   68   2HA   GLY  11          1HA       GLY  11  32.855  28.778  10.024
   69    H    VAL  12           H        VAL  12  31.127  25.891   9.601
   70    HA   VAL  12           HA       VAL  12  28.644  27.051   8.589
   71    HB   VAL  12           HB       VAL  12  30.183  27.700   6.822
   72   1HG1  VAL  12          1HG1      VAL  12  32.104  26.446   6.861
   73   2HG1  VAL  12          2HG1      VAL  12  31.259  25.548   5.601
   74   3HG1  VAL  12          3HG1      VAL  12  31.253  24.955   7.261
   75   1HG2  VAL  12          1HG2      VAL  12  29.226  26.503   4.906
   76   2HG2  VAL  12          2HG2      VAL  12  27.975  26.808   6.110
   77   3HG2  VAL  12          3HG2      VAL  12  28.686  25.201   5.965
   78    H    GLN  13           H        GLN  13  27.964  25.416  10.162
   79    HA   GLN  13           HA       GLN  13  28.576  22.680  10.203
   80   1HB   GLN  13          2HB       GLN  13  27.186  23.942  11.830
   81   2HB   GLN  13          1HB       GLN  13  25.886  24.021  10.641
   82   1HG   GLN  13          2HG       GLN  13  26.668  21.293  10.818
   83   2HG   GLN  13          1HG       GLN  13  26.519  21.889  12.470
   84   1HE2  GLN  13          1HE2      GLN  13  24.686  20.292  10.308
   85   2HE2  GLN  13          2HE2      GLN  13  23.159  20.957  10.641
   86    H    ALA  14           H        ALA  14  28.727  21.614   8.218
   87    HA   ALA  14           HA       ALA  14  26.322  21.619   6.424
   88   1HB   ALA  14          1HB       ALA  14  28.748  22.290   5.712
   89   2HB   ALA  14          2HB       ALA  14  27.854  21.189   4.664
   90   3HB   ALA  14          3HB       ALA  14  29.078  20.557   5.765
   91    H    GLY  15           H        GLY  15  26.608  20.036   8.946
   92   1HA   GLY  15          2HA       GLY  15  25.373  17.709   8.615
   93   2HA   GLY  15          1HA       GLY  15  26.951  17.262   7.959
   94    H    CYS  16           H        CYS  16  28.798  17.310   9.389
   95    HA   CYS  16           HA       CYS  16  28.043  17.050  12.280
   96   1HB   CYS  16          2HB       CYS  16  30.516  16.074  10.821
   97   2HB   CYS  16          1HB       CYS  16  29.949  15.567  12.416
   98    HA   PRO  17           HA       PRO  17  30.358  20.963  12.242
   99   1HB   PRO  17          2HB       PRO  17  29.319  21.890  14.600
  100   2HB   PRO  17          1HB       PRO  17  28.481  22.042  13.043
  101   1HG   PRO  17          2HG       PRO  17  28.032  20.106  15.254
  102   2HG   PRO  17          1HG       PRO  17  26.863  20.895  14.185
  103   1HD   PRO  17          2HD       PRO  17  27.704  18.305  13.884
  104   2HD   PRO  17          1HD       PRO  17  27.088  19.318  12.557
  105    H    GLY  18           H        GLY  18  31.892  18.782  12.892
  106   1HA   GLY  18          2HA       GLY  18  33.906  19.551  14.539
  107   2HA   GLY  18          1HA       GLY  18  32.728  18.967  15.711
  108    H    GLY  19           H        GLY  19  33.295  17.524  12.504
  109   1HA   GLY  19          2HA       GLY  19  34.374  15.490  11.962
  110   2HA   GLY  19          1HA       GLY  19  34.873  15.341  13.651
  111    H    CYS  20           H        CYS  20  33.358  13.554  11.616
  112    HA   CYS  20           HA       CYS  20  31.040  12.874  13.407
  113   1HB   CYS  20          2HB       CYS  20  31.203  13.433  10.640
  114   2HB   CYS  20          1HB       CYS  20  30.941  11.687  10.763
  115    H    VAL  21           H        VAL  21  33.945  11.944  13.560
  116    HA   VAL  21           HA       VAL  21  33.364   9.009  13.393
  117    HB   VAL  21           HB       VAL  21  34.764   9.925  11.511
  118   1HG1  VAL  21          1HG1      VAL  21  37.259  10.172  12.848
  119   2HG1  VAL  21          2HG1      VAL  21  36.116  11.206  13.705
  120   3HG1  VAL  21          3HG1      VAL  21  36.374  11.421  11.973
  121   1HG2  VAL  21          1HG2      VAL  21  35.839   7.937  11.419
  122   2HG2  VAL  21          2HG2      VAL  21  35.122   7.604  12.996
  123   3HG2  VAL  21          3HG2      VAL  21  36.753   8.268  12.889
  124    H    GLU  22           H        GLU  22  33.869  11.423  15.551
  125    HA   GLU  22           HA       GLU  22  35.843  10.015  17.243
  126   1HB   GLU  22          2HB       GLU  22  34.540  12.727  17.175
  127   2HB   GLU  22          1HB       GLU  22  35.434  12.188  18.591
  128   1HG   GLU  22          2HG       GLU  22  36.690  11.939  15.880
  129   2HG   GLU  22          1HG       GLU  22  36.678  13.506  16.688
  130    H    GLU  23           H        GLU  23  32.748   9.412  16.754
  131    HA   GLU  23           HA       GLU  23  32.215   8.768  19.584
  132   1HB   GLU  23          2HB       GLU  23  31.228  11.059  18.751
  133   2HB   GLU  23          1HB       GLU  23  30.057  10.044  17.912
  134   1HG   GLU  23          2HG       GLU  23  29.035   9.387  19.846
  135   2HG   GLU  23          1HG       GLU  23  30.539   9.396  20.770
  136    H    GLU  24           H        GLU  24  30.727   8.650  16.323
  137    HA   GLU  24           HA       GLU  24  30.191   5.769  16.789
  138   1HB   GLU  24          2HB       GLU  24  28.174   6.258  15.259
  139   2HB   GLU  24          1HB       GLU  24  28.098   6.906  16.894
  140   1HG   GLU  24          2HG       GLU  24  28.287   9.088  16.185
  141   2HG   GLU  24          1HG       GLU  24  29.343   8.674  14.837
  142    H    ASP  25           H        ASP  25  31.882   4.872  15.561
  143    HA   ASP  25           HA       ASP  25  32.115   5.824  12.723
  144   1HB   ASP  25          2HB       ASP  25  34.433   5.352  12.884
  145   2HB   ASP  25          1HB       ASP  25  34.037   6.058  14.445
  146    H    GLY  26           H        GLY  26  30.308   3.695  13.985
  147   1HA   GLY  26          2HA       GLY  26  29.611   1.895  12.283
  148   2HA   GLY  26          1HA       GLY  26  31.273   1.325  12.439
  149    H    GLY  27           H        GLY  27  31.865   0.152  14.302
  150   1HA   GLY  27          2HA       GLY  27  31.577  -0.924  16.391
  151   2HA   GLY  27          1HA       GLY  27  30.056  -0.057  16.589
  152    H    SER  28           H        SER  28  28.132  -1.024  15.871
  153    HA   SER  28           HA       SER  28  28.215  -3.936  15.541
  154   1HB   SER  28          2HB       SER  28  25.626  -2.841  15.039
  155   2HB   SER  28          1HB       SER  28  26.196  -3.622  16.504
  156    HG   SER  28           HG       SER  28  25.681  -1.015  16.047
  157    HA   PRO  29           HA       PRO  29  27.931  -4.144  11.154
  158   1HB   PRO  29          2HB       PRO  29  26.138  -6.177  10.752
  159   2HB   PRO  29          1HB       PRO  29  27.792  -6.451  11.342
  160   1HG   PRO  29          2HG       PRO  29  25.229  -6.397  12.845
  161   2HG   PRO  29          1HG       PRO  29  26.658  -7.411  13.083
  162   1HD   PRO  29          2HD       PRO  29  26.053  -5.228  14.634
  163   2HD   PRO  29          1HD       PRO  29  27.695  -5.868  14.406
  164    H    ALA  30           H        ALA  30  26.627  -1.936  11.611
  165    HA   ALA  30           HA       ALA  30  23.970  -2.208  10.294
  166   1HB   ALA  30          1HB       ALA  30  23.748  -1.702  12.682
  167   2HB   ALA  30          2HB       ALA  30  23.274  -0.294  11.729
  168   3HB   ALA  30          3HB       ALA  30  24.853  -0.341  12.513
  169    H    GLU  31           H        GLU  31  25.389  -1.813   8.305
  170    HA   GLU  31           HA       GLU  31  26.640   0.802   8.024
  171   1HB   GLU  31          2HB       GLU  31  27.122   0.010   5.763
  172   2HB   GLU  31          1HB       GLU  31  27.421  -1.289   6.913
  173   1HG   GLU  31          2HG       GLU  31  25.145  -2.205   6.406
  174   2HG   GLU  31          1HG       GLU  31  24.963  -0.959   5.169
  175    H    GLY  32           H        GLY  32  23.664  -0.718   6.807
  176   1HA   GLY  32          2HA       GLY  32  21.615   0.675   6.701
  177   2HA   GLY  32          1HA       GLY  32  22.636   2.024   6.199
  178    H    CYS  33           H        CYS  33  21.421  -1.151   5.156
  179    HA   CYS  33           HA       CYS  33  22.362  -0.781   2.398
  180   1HB   CYS  33          2HB       CYS  33  21.719  -2.926   3.931
  181   2HB   CYS  33          1HB       CYS  33  20.185  -2.708   3.088
  182    H    ALA  34           H        ALA  34  21.200   0.215   0.762
  183    HA   ALA  34           HA       ALA  34  18.701   1.599   1.395
  184   1HB   ALA  34          1HB       ALA  34  18.991   2.502  -0.842
  185   2HB   ALA  34          2HB       ALA  34  20.143   1.230  -1.251
  186   3HB   ALA  34          3HB       ALA  34  20.568   2.454  -0.054
  187    H    GLU  35           H        GLU  35  19.563  -1.439  -0.092
  188    HA   GLU  35           HA       GLU  35  16.676  -1.915  -0.734
  189   1HB   GLU  35          2HB       GLU  35  18.716  -1.576  -2.554
  190   2HB   GLU  35          1HB       GLU  35  18.715  -3.324  -2.349
  191   1HG   GLU  35          2HG       GLU  35  16.085  -1.935  -2.720
  192   2HG   GLU  35          1HG       GLU  35  17.117  -2.175  -4.130
  193    H    ALA  36           H        ALA  36  16.193  -4.289  -0.780
  194    HA   ALA  36           HA       ALA  36  17.602  -5.675   1.445
  195   1HB   ALA  36          1HB       ALA  36  15.224  -5.619   1.615
  196   2HB   ALA  36          2HB       ALA  36  15.595  -7.253   1.065
  197   3HB   ALA  36          3HB       ALA  36  15.016  -6.044  -0.085
  198    H    GLU  37           H        GLU  37  16.794  -6.133  -1.992
  199    HA   GLU  37           HA       GLU  37  18.131  -8.726  -2.171
  200   1HB   GLU  37          2HB       GLU  37  16.185  -7.429  -3.571
  201   2HB   GLU  37          1HB       GLU  37  17.588  -7.100  -4.601
  202   1HG   GLU  37          2HG       GLU  37  18.063  -9.475  -4.814
  203   2HG   GLU  37          1HG       GLU  37  16.819  -9.872  -3.629
  204    H    GLY  38           H        GLY  38  18.804  -5.472  -3.549
  205   1HA   GLY  38          2HA       GLY  38  21.505  -6.233  -4.378
  206   2HA   GLY  38          1HA       GLY  38  20.830  -4.608  -4.424
  207    H    CYS  39           H        CYS  39  21.732  -7.009  -1.962
  208    HA   CYS  39           HA       CYS  39  23.030  -4.770  -0.427
  209   1HB   CYS  39          2HB       CYS  39  20.822  -5.998   0.366
  210   2HB   CYS  39          1HB       CYS  39  21.950  -7.250   0.883
  211    H    LEU  40           H        LEU  40  23.065  -8.387  -0.428
  212    HA   LEU  40           HA       LEU  40  25.845  -8.531  -1.192
  213   1HB   LEU  40          2HB       LEU  40  26.850  -8.975   0.922
  214   2HB   LEU  40          1HB       LEU  40  25.810  -7.586   1.206
  215    HG   LEU  40           HG       LEU  40  24.734 -10.363   1.649
  216   1HD1  LEU  40          1HD1      LEU  40  26.796 -10.363   2.920
  217   2HD1  LEU  40          2HD1      LEU  40  25.453 -10.124   4.038
  218   3HD1  LEU  40          3HD1      LEU  40  26.453  -8.753   3.555
  219   1HD2  LEU  40          1HD2      LEU  40  22.985  -9.209   2.466
  220   2HD2  LEU  40          2HD2      LEU  40  23.771  -7.733   1.912
  221   3HD2  LEU  40          3HD2      LEU  40  24.035  -8.302   3.557
  222    H    ARG  41           H        ARG  41  26.561 -10.942  -0.018
  223    HA   ARG  41           HA       ARG  41  26.223 -13.275  -0.152
  224   1HB   ARG  41          2HB       ARG  41  23.906 -12.120   0.936
  225   2HB   ARG  41          1HB       ARG  41  23.302 -13.168  -0.354
  226   1HG   ARG  41          2HG       ARG  41  24.070 -15.102   0.669
  227   2HG   ARG  41          1HG       ARG  41  25.399 -14.266   1.472
  228   1HD   ARG  41          2HD       ARG  41  23.308 -13.039   2.692
  229   2HD   ARG  41          1HD       ARG  41  22.586 -14.626   2.394
  230    HE   ARG  41           HE       ARG  41  25.102 -14.128   3.937
  231   1HH1  ARG  41          1HH2      ARG  41  22.546 -16.259   2.883
  232   2HH1  ARG  41          2HH2      ARG  41  23.015 -17.528   3.963
  233   1HH2  ARG  41          1HH1      ARG  41  25.659 -15.768   5.362
  234   2HH2  ARG  41          2HH1      ARG  41  24.784 -17.252   5.359
  235    H    ARG  42           H        ARG  42  24.853 -14.944  -1.627
  236    HA   ARG  42           HA       ARG  42  24.530 -13.763  -4.336
  237   1HB   ARG  42          2HB       ARG  42  25.700 -16.500  -4.051
  238   2HB   ARG  42          1HB       ARG  42  25.997 -15.291  -5.290
  239   1HG   ARG  42          2HG       ARG  42  27.334 -13.961  -3.683
  240   2HG   ARG  42          1HG       ARG  42  27.033 -15.172  -2.435
  241   1HD   ARG  42          2HD       ARG  42  28.426 -15.748  -5.080
  242   2HD   ARG  42          1HD       ARG  42  29.249 -15.513  -3.525
  243    HE   ARG  42           HE       ARG  42  27.123 -17.512  -3.368
  244   1HH1  ARG  42          1HH2      ARG  42  30.434 -16.938  -4.296
  245   2HH1  ARG  42          2HH2      ARG  42  30.924 -18.560  -4.001
  246   1HH2  ARG  42          1HH1      ARG  42  27.776 -19.632  -2.980
  247   2HH2  ARG  42          2HH1      ARG  42  29.421 -20.095  -3.245
  248    H    GLU  43           H        GLU  43  24.268 -17.042  -2.971
  249    HA   GLU  43           HA       GLU  43  21.398 -17.086  -3.757
  250   1HB   GLU  43          2HB       GLU  43  23.288 -19.448  -3.921
  251   2HB   GLU  43          1HB       GLU  43  21.741 -19.240  -4.739
  252   1HG   GLU  43          2HG       GLU  43  22.969 -18.587  -6.537
  253   2HG   GLU  43          1HG       GLU  43  23.201 -17.075  -5.667
  254    H    GLY  44           H        GLY  44  20.849 -16.676  -1.522
  255   1HA   GLY  44          2HA       GLY  44  20.156 -18.761   0.113
  256   2HA   GLY  44          1HA       GLY  44  21.838 -18.484   0.571
  257    H    GLN  45           HN       GLN  45  18.868 -16.581  -0.017
  258    HA   GLN  45           HA       GLN  45  19.214 -15.236   2.596
  259   1HB   GLN  45          2HB       GLN  45  20.395 -14.173   0.338
  260   2HB   GLN  45          1HB       GLN  45  18.845 -13.332   0.371
  261   1HG   GLN  45          2HG       GLN  45  19.926 -13.458   3.041
  262   2HG   GLN  45          1HG       GLN  45  21.135 -12.778   1.953
  263   1HE2  GLN  45          1HE2      GLN  45  17.563 -12.441   1.685
  264   2HE2  GLN  45          2HE2      GLN  45  17.575 -10.746   1.837
  Start of MODEL   13
    1   1H    ALA   1          1HT       ALA   1  39.481  46.662  16.762
    2   2H    ALA   1          2HT       ALA   1  38.513  48.030  16.532
    3   3H    ALA   1          3HT       ALA   1  39.347  47.363  15.214
    4    HA   ALA   1           HA       ALA   1  37.150  46.010  16.724
    5   1HB   ALA   1          1HB       ALA   1  36.392  47.960  15.423
    6   2HB   ALA   1          2HB       ALA   1  35.890  46.479  14.607
    7   3HB   ALA   1          3HB       ALA   1  37.278  47.383  14.009
    8    H    LEU   2           H        LEU   2  37.375  43.801  16.499
    9    HA   LEU   2           HA       LEU   2  37.939  42.528  13.981
   10   1HB   LEU   2          2HB       LEU   2  40.183  41.575  14.675
   11   2HB   LEU   2          1HB       LEU   2  40.208  43.314  14.390
   12    HG   LEU   2           HG       LEU   2  39.486  42.883  17.128
   13   1HD1  LEU   2          1HD1      LEU   2  41.150  40.793  16.155
   14   2HD1  LEU   2          2HD1      LEU   2  40.722  41.144  17.830
   15   3HD1  LEU   2          3HD1      LEU   2  42.174  41.854  17.125
   16   1HD2  LEU   2          1HD2      LEU   2  41.059  44.525  17.469
   17   2HD2  LEU   2          2HD2      LEU   2  40.913  44.695  15.720
   18   3HD2  LEU   2          3HD2      LEU   2  42.241  43.760  16.405
   19    H    ALA   3           H        ALA   3  37.747  40.178  14.198
   20    HA   ALA   3           HA       ALA   3  36.589  39.334  16.805
   21   1HB   ALA   3          1HB       ALA   3  35.146  39.358  14.761
   22   2HB   ALA   3          2HB       ALA   3  35.309  37.745  15.455
   23   3HB   ALA   3          3HB       ALA   3  36.237  38.185  14.021
   24    H    ARG   4           H        ARG   4  37.016  37.025  17.408
   25    HA   ARG   4           HA       ARG   4  39.165  35.545  16.133
   26   1HB   ARG   4          2HB       ARG   4  40.601  35.822  18.332
   27   2HB   ARG   4          1HB       ARG   4  40.676  37.054  17.076
   28   1HG   ARG   4          2HG       ARG   4  39.842  38.628  18.471
   29   2HG   ARG   4          1HG       ARG   4  38.481  37.596  18.912
   30   1HD   ARG   4          2HD       ARG   4  41.161  36.896  20.061
   31   2HD   ARG   4          1HD       ARG   4  40.303  38.295  20.736
   32    HE   ARG   4           HE       ARG   4  38.923  35.646  20.405
   33   1HH1  ARG   4          1HH2      ARG   4  39.804  38.420  22.346
   34   2HH1  ARG   4          2HH2      ARG   4  38.843  37.928  23.690
   35   1HH2  ARG   4          1HH1      ARG   4  37.676  35.036  22.181
   36   2HH2  ARG   4          2HH1      ARG   4  37.645  36.022  23.601
   37    H    CYS   5           H        CYS   5  37.555  33.842  16.344
   38    HA   CYS   5           HA       CYS   5  37.665  32.442  18.928
   39   1HB   CYS   5          2HB       CYS   5  35.875  33.954  19.422
   40   2HB   CYS   5          1HB       CYS   5  35.151  33.727  17.831
   41    HA   PRO   6           HA       PRO   6  37.355  29.541  15.447
   42   1HB   PRO   6          2HB       PRO   6  38.814  27.553  16.632
   43   2HB   PRO   6          1HB       PRO   6  39.563  28.934  15.809
   44   1HG   PRO   6          2HG       PRO   6  39.234  28.407  18.705
   45   2HG   PRO   6          1HG       PRO   6  40.536  29.245  17.850
   46   1HD   PRO   6          2HD       PRO   6  38.487  30.477  19.252
   47   2HD   PRO   6          1HD       PRO   6  39.497  31.258  18.017
   48    H    GLY   7           H        GLY   7  36.136  27.520  15.267
   49   1HA   GLY   7          2HA       GLY   7  34.717  25.774  16.033
   50   2HA   GLY   7          1HA       GLY   7  35.027  26.293  17.690
   51    H    CYS   8           H        CYS   8  34.178  28.901  17.743
   52    HA   CYS   8           HA       CYS   8  31.276  28.555  17.636
   53   1HB   CYS   8          2HB       CYS   8  31.251  30.603  18.829
   54   2HB   CYS   8          1HB       CYS   8  32.726  29.805  19.362
   55    H    GLY   9           H        GLY   9  33.682  30.302  15.716
   56   1HA   GLY   9          2HA       GLY   9  31.673  31.759  14.166
   57   2HA   GLY   9          1HA       GLY   9  33.401  31.713  13.831
   58    H    GLN  10           H        GLN  10  34.086  29.279  13.226
   59    HA   GLN  10           HA       GLN  10  32.062  28.056  11.445
   60   1HB   GLN  10          2HB       GLN  10  34.575  29.477  10.724
   61   2HB   GLN  10          1HB       GLN  10  34.218  28.004   9.825
   62   1HG   GLN  10          2HG       GLN  10  31.988  28.899   9.248
   63   2HG   GLN  10          1HG       GLN  10  32.354  30.376  10.138
   64   1HE2  GLN  10          1HE2      GLN  10  31.790  30.790   7.489
   65   2HE2  GLN  10          2HE2      GLN  10  33.201  31.089   6.595
   66    H    GLY  11           H        GLY  11  35.575  27.740  12.112
   67   1HA   GLY  11          2HA       GLY  11  36.665  25.906  13.203
   68   2HA   GLY  11          1HA       GLY  11  35.138  25.021  13.188
   69    H    VAL  12           H        VAL  12  34.344  24.499  10.884
   70    HA   VAL  12           HA       VAL  12  36.630  23.925   9.047
   71    HB   VAL  12           HB       VAL  12  34.479  21.963   9.919
   72   1HG1  VAL  12          1HG1      VAL  12  35.992  20.324   8.748
   73   2HG1  VAL  12          2HG1      VAL  12  36.916  21.694   8.134
   74   3HG1  VAL  12          3HG1      VAL  12  35.229  21.488   7.663
   75   1HG2  VAL  12          1HG2      VAL  12  35.922  22.156  11.773
   76   2HG2  VAL  12          2HG2      VAL  12  37.345  22.386  10.756
   77   3HG2  VAL  12          3HG2      VAL  12  36.591  20.796  10.871
   78    H    GLN  13           H        GLN  13  33.401  22.584   8.558
   79    HA   GLN  13           HA       GLN  13  32.389  24.811   6.990
   80   1HB   GLN  13          2HB       GLN  13  34.329  23.681   5.698
   81   2HB   GLN  13          1HB       GLN  13  33.206  22.344   5.454
   82   1HG   GLN  13          2HG       GLN  13  32.373  23.466   3.687
   83   2HG   GLN  13          1HG       GLN  13  31.734  24.657   4.817
   84   1HE2  GLN  13          1HE2      GLN  13  35.101  23.937   3.705
   85   2HE2  GLN  13          2HE2      GLN  13  35.438  25.534   3.241
   86    H    ALA  14           H        ALA  14  31.460  22.842   9.073
   87    HA   ALA  14           HA       ALA  14  28.912  22.104   7.760
   88   1HB   ALA  14          1HB       ALA  14  30.794  20.099   9.057
   89   2HB   ALA  14          2HB       ALA  14  30.427  20.207   7.334
   90   3HB   ALA  14          3HB       ALA  14  29.168  19.735   8.475
   91    H    GLY  15           H        GLY  15  27.228  22.261   9.235
   92   1HA   GLY  15          2HA       GLY  15  27.986  22.683  12.100
   93   2HA   GLY  15          1HA       GLY  15  26.552  23.372  11.337
   94    H    CYS  16           H        CYS  16  28.019  20.156  11.900
   95    HA   CYS  16           HA       CYS  16  25.395  18.835  11.896
   96   1HB   CYS  16          2HB       CYS  16  28.143  17.846  12.726
   97   2HB   CYS  16          1HB       CYS  16  26.744  16.834  12.343
   98    HA   PRO  17           HA       PRO  17  24.911  19.920  16.242
   99   1HB   PRO  17          2HB       PRO  17  22.356  18.946  16.481
  100   2HB   PRO  17          1HB       PRO  17  22.731  20.530  15.769
  101   1HG   PRO  17          2HG       PRO  17  22.107  17.946  14.426
  102   2HG   PRO  17          1HG       PRO  17  21.608  19.590  13.994
  103   1HD   PRO  17          2HD       PRO  17  23.616  18.258  12.725
  104   2HD   PRO  17          1HD       PRO  17  23.554  20.031  12.875
  105    H    GLY  18           H        GLY  18  26.486  18.300  16.909
  106   1HA   GLY  18          2HA       GLY  18  26.566  16.516  18.619
  107   2HA   GLY  18          1HA       GLY  18  25.219  15.733  17.790
  108    H    GLY  19           H        GLY  19  26.755  16.532  15.167
  109   1HA   GLY  19          2HA       GLY  19  28.945  15.675  14.273
  110   2HA   GLY  19          1HA       GLY  19  28.687  14.243  15.280
  111    H    CYS  20           H        CYS  20  28.790  14.787  12.228
  112    HA   CYS  20           HA       CYS  20  26.256  13.312  11.594
  113   1HB   CYS  20          2HB       CYS  20  26.500  14.481   9.332
  114   2HB   CYS  20          1HB       CYS  20  26.060  15.510  10.699
  115    H    VAL  21           H        VAL  21  29.638  12.963  11.642
  116    HA   VAL  21           HA       VAL  21  29.480  10.564   9.947
  117    HB   VAL  21           HB       VAL  21  29.720  12.514   8.377
  118   1HG1  VAL  21          1HG1      VAL  21  32.354  12.894   9.836
  119   2HG1  VAL  21          2HG1      VAL  21  30.986  14.007   9.845
  120   3HG1  VAL  21          3HG1      VAL  21  31.885  13.725   8.355
  121   1HG2  VAL  21          1HG2      VAL  21  31.336  11.473   7.002
  122   2HG2  VAL  21          2HG2      VAL  21  30.775  10.161   8.040
  123   3HG2  VAL  21          3HG2      VAL  21  32.308  10.961   8.382
  124    H    GLU  22           H        GLU  22  30.145  11.003  12.736
  125    HA   GLU  22           HA       GLU  22  33.071  10.687  12.882
  126   1HB   GLU  22          2HB       GLU  22  30.899  11.030  14.973
  127   2HB   GLU  22          1HB       GLU  22  32.628  11.014  15.301
  128   1HG   GLU  22          2HG       GLU  22  31.682  12.914  13.194
  129   2HG   GLU  22          1HG       GLU  22  31.292  13.298  14.867
  130    H    GLU  23           H        GLU  23  31.798   8.483  11.680
  131    HA   GLU  23           HA       GLU  23  31.418   6.154  11.877
  132   1HB   GLU  23          2HB       GLU  23  33.900   7.048  13.062
  133   2HB   GLU  23          1HB       GLU  23  33.349   5.570  13.849
  134   1HG   GLU  23          2HG       GLU  23  33.168   5.655  10.873
  135   2HG   GLU  23          1HG       GLU  23  34.782   5.526  11.573
  136    H    GLU  24           H        GLU  24  29.281   6.858  13.101
  137    HA   GLU  24           HA       GLU  24  29.253   6.381  15.983
  138   1HB   GLU  24          2HB       GLU  24  27.718   7.767  14.173
  139   2HB   GLU  24          1HB       GLU  24  26.722   6.340  14.456
  140   1HG   GLU  24          2HG       GLU  24  26.379   6.846  16.682
  141   2HG   GLU  24          1HG       GLU  24  27.908   7.717  16.832
  142    H    ASP  25           H        ASP  25  27.698   4.758  13.210
  143    HA   ASP  25           HA       ASP  25  28.326   2.092  14.253
  144   1HB   ASP  25          2HB       ASP  25  26.161   3.223  15.374
  145   2HB   ASP  25          1HB       ASP  25  25.405   2.666  13.884
  146    H    GLY  26           H        GLY  26  27.082   0.458  12.711
  147   1HA   GLY  26          2HA       GLY  26  26.735  -0.316  10.525
  148   2HA   GLY  26          1HA       GLY  26  26.141   1.302  10.156
  149    H    GLY  27           H        GLY  27  29.395   0.428  11.288
  150   1HA   GLY  27          2HA       GLY  27  30.734   2.112   9.439
  151   2HA   GLY  27          1HA       GLY  27  31.493   0.763  10.282
  152    H    SER  28           H        SER  28  29.587  -1.206   9.085
  153    HA   SER  28           HA       SER  28  31.058  -1.740   6.608
  154   1HB   SER  28          2HB       SER  28  28.562  -3.167   7.509
  155   2HB   SER  28          1HB       SER  28  30.009  -3.843   6.774
  156    HG   SER  28           HG       SER  28  29.407  -3.676   9.341
  157    HA   PRO  29           HA       PRO  29  28.206   0.076   3.770
  158   1HB   PRO  29          2HB       PRO  29  28.080  -1.784   1.755
  159   2HB   PRO  29          1HB       PRO  29  29.492  -0.740   2.037
  160   1HG   PRO  29          2HG       PRO  29  29.061  -3.588   2.805
  161   2HG   PRO  29          1HG       PRO  29  30.523  -2.799   2.192
  162   1HD   PRO  29          2HD       PRO  29  30.125  -3.385   4.818
  163   2HD   PRO  29          1HD       PRO  29  31.129  -2.027   4.263
  164    H    ALA  30           H        ALA  30  26.548  -0.530   5.633
  165    HA   ALA  30           HA       ALA  30  24.623  -2.619   4.785
  166   1HB   ALA  30          1HB       ALA  30  23.662  -2.026   7.086
  167   2HB   ALA  30          2HB       ALA  30  25.072  -0.988   7.287
  168   3HB   ALA  30          3HB       ALA  30  25.281  -2.728   7.082
  169    H    GLU  31           H        GLU  31  24.782   0.879   5.489
  170    HA   GLU  31           HA       GLU  31  21.981   1.340   4.856
  171   1HB   GLU  31          2HB       GLU  31  23.760   2.587   6.383
  172   2HB   GLU  31          1HB       GLU  31  24.086   3.480   4.899
  173   1HG   GLU  31          2HG       GLU  31  21.971   4.441   4.852
  174   2HG   GLU  31          1HG       GLU  31  21.237   3.112   5.747
  175    H    GLY  32           H        GLY  32  24.765   0.873   2.907
  176   1HA   GLY  32          2HA       GLY  32  24.106   2.734   0.782
  177   2HA   GLY  32          1HA       GLY  32  25.244   1.395   0.654
  178    H    CYS  33           H        CYS  33  23.407  -0.679   1.394
  179    HA   CYS  33           HA       CYS  33  21.464  -0.552  -0.883
  180   1HB   CYS  33          2HB       CYS  33  22.049  -3.151  -0.863
  181   2HB   CYS  33          1HB       CYS  33  23.043  -2.003  -1.752
  182    H    ALA  34           H        ALA  34  19.701  -0.133   0.483
  183    HA   ALA  34           HA       ALA  34  18.992  -2.339   2.401
  184   1HB   ALA  34          1HB       ALA  34  18.102  -0.672   3.852
  185   2HB   ALA  34          2HB       ALA  34  18.094   0.547   2.580
  186   3HB   ALA  34          3HB       ALA  34  19.622   0.016   3.282
  187    H    GLU  35           H        GLU  35  18.363  -2.186  -0.462
  188    HA   GLU  35           HA       GLU  35  15.584  -1.304  -0.773
  189   1HB   GLU  35          2HB       GLU  35  17.296  -3.115  -2.514
  190   2HB   GLU  35          1HB       GLU  35  15.880  -2.202  -3.030
  191   1HG   GLU  35          2HG       GLU  35  17.286  -0.535  -3.598
  192   2HG   GLU  35          1HG       GLU  35  17.561  -0.282  -1.877
  193    H    ALA  36           H        ALA  36  14.937  -3.792  -2.377
  194    HA   ALA  36           HA       ALA  36  13.612  -5.250  -0.225
  195   1HB   ALA  36          1HB       ALA  36  12.672  -4.809  -2.513
  196   2HB   ALA  36          2HB       ALA  36  12.652  -6.516  -2.077
  197   3HB   ALA  36          3HB       ALA  36  13.884  -5.905  -3.183
  198    H    GLU  37           H        GLU  37  16.561  -5.635  -2.094
  199    HA   GLU  37           HA       GLU  37  16.931  -8.388  -1.038
  200   1HB   GLU  37          2HB       GLU  37  17.316  -7.416  -3.513
  201   2HB   GLU  37          1HB       GLU  37  18.921  -7.070  -2.821
  202   1HG   GLU  37          2HG       GLU  37  19.020  -9.487  -2.051
  203   2HG   GLU  37          1HG       GLU  37  17.536  -9.770  -2.963
  204    H    GLY  38           H        GLY  38  18.464  -5.182  -1.043
  205   1HA   GLY  38          2HA       GLY  38  19.775  -4.210   0.668
  206   2HA   GLY  38          1HA       GLY  38  19.686  -5.740   1.557
  207    H    CYS  39           H        CYS  39  21.629  -6.742   1.723
  208    HA   CYS  39           HA       CYS  39  23.408  -6.900  -0.650
  209   1HB   CYS  39          2HB       CYS  39  23.781  -5.170   1.713
  210   2HB   CYS  39          1HB       CYS  39  25.187  -6.155   1.321
  211    H    LEU  40           H        LEU  40  21.948  -8.967   0.691
  212    HA   LEU  40           HA       LEU  40  23.850 -10.329   2.483
  213   1HB   LEU  40          2HB       LEU  40  21.027 -10.842   1.529
  214   2HB   LEU  40          1HB       LEU  40  21.896 -11.990   2.548
  215    HG   LEU  40           HG       LEU  40  21.407  -9.078   3.255
  216   1HD1  LEU  40          1HD1      LEU  40  19.313 -10.292   3.310
  217   2HD1  LEU  40          2HD1      LEU  40  19.871 -10.067   4.967
  218   3HD1  LEU  40          3HD1      LEU  40  20.065 -11.632   4.178
  219   1HD2  LEU  40          1HD2      LEU  40  23.047  -9.442   4.758
  220   2HD2  LEU  40          2HD2      LEU  40  23.156 -11.141   4.302
  221   3HD2  LEU  40          3HD2      LEU  40  21.993 -10.632   5.525
  222    H    ARG  41           H        ARG  41  25.026 -12.144   1.880
  223    HA   ARG  41           HA       ARG  41  24.757 -13.074  -0.938
  224   1HB   ARG  41          2HB       ARG  41  27.158 -12.963   0.914
  225   2HB   ARG  41          1HB       ARG  41  27.189 -13.559  -0.749
  226   1HG   ARG  41          2HG       ARG  41  26.346 -10.757   0.053
  227   2HG   ARG  41          1HG       ARG  41  27.950 -11.180  -0.543
  228   1HD   ARG  41          2HD       ARG  41  26.976 -11.964  -2.669
  229   2HD   ARG  41          1HD       ARG  41  25.349 -11.601  -2.063
  230    HE   ARG  41           HE       ARG  41  25.779  -9.289  -2.387
  231   1HH1  ARG  41          1HH2      ARG  41  28.728 -11.137  -2.499
  232   2HH1  ARG  41          2HH2      ARG  41  29.678  -9.818  -3.078
  233   1HH2  ARG  41          1HH1      ARG  41  27.031  -7.575  -3.157
  234   2HH2  ARG  41          2HH1      ARG  41  28.722  -7.807  -3.458
  235    H    ARG  42           H        ARG  42  24.960 -15.394  -1.277
  236    HA   ARG  42           HA       ARG  42  24.063 -16.984   1.024
  237   1HB   ARG  42          2HB       ARG  42  23.625 -16.940  -1.744
  238   2HB   ARG  42          1HB       ARG  42  24.527 -18.430  -1.464
  239   1HG   ARG  42          2HG       ARG  42  22.783 -18.610   0.580
  240   2HG   ARG  42          1HG       ARG  42  21.809 -17.645  -0.529
  241   1HD   ARG  42          2HD       ARG  42  21.302 -19.932  -1.037
  242   2HD   ARG  42          1HD       ARG  42  22.403 -19.394  -2.324
  243    HE   ARG  42           HE       ARG  42  24.118 -20.330  -0.348
  244   1HH1  ARG  42          1HH2      ARG  42  21.389 -21.622  -2.086
  245   2HH1  ARG  42          2HH2      ARG  42  21.928 -23.256  -1.963
  246   1HH2  ARG  42          1HH1      ARG  42  24.826 -22.467  -0.195
  247   2HH2  ARG  42          2HH1      ARG  42  23.877 -23.739  -0.898
  248    H    GLU  43           H        GLU  43  26.801 -16.124   1.295
  249    HA   GLU  43           HA       GLU  43  28.454 -18.465   0.610
  250   1HB   GLU  43          2HB       GLU  43  28.852 -15.650   1.518
  251   2HB   GLU  43          1HB       GLU  43  30.109 -16.819   1.918
  252   1HG   GLU  43          2HG       GLU  43  29.974 -17.508  -0.576
  253   2HG   GLU  43          1HG       GLU  43  29.144 -15.964  -0.806
  254    H    GLY  44           H        GLY  44  27.134 -16.819   3.452
  255   1HA   GLY  44          2HA       GLY  44  28.453 -18.654   5.330
  256   2HA   GLY  44          1HA       GLY  44  27.340 -17.353   5.753
  257    H    GLN  45           HN       GLN  45  27.337 -20.513   4.109
  258    HA   GLN  45           HA       GLN  45  24.507 -20.920   5.014
  259   1HB   GLN  45          2HB       GLN  45  24.472 -22.630   3.260
  260   2HB   GLN  45          1HB       GLN  45  25.117 -21.134   2.590
  261   1HG   GLN  45          2HG       GLN  45  27.394 -22.389   3.539
  262   2HG   GLN  45          1HG       GLN  45  26.424 -23.741   2.953
  263   1HE2  GLN  45          1HE2      GLN  45  28.892 -22.165   1.791
  264   2HE2  GLN  45          2HE2      GLN  45  28.427 -21.872   0.184
  Start of MODEL   14
    1   1H    ALA   1          1HT       ALA   1  50.537 -32.594 -21.046
    2   2H    ALA   1          2HT       ALA   1  49.515 -31.276 -21.362
    3   3H    ALA   1          3HT       ALA   1  50.730 -31.151 -20.178
    4    HA   ALA   1           HA       ALA   1  51.236 -31.528 -23.087
    5   1HB   ALA   1          1HB       ALA   1  50.152 -29.360 -22.374
    6   2HB   ALA   1          2HB       ALA   1  51.761 -29.153 -23.063
    7   3HB   ALA   1          3HB       ALA   1  51.534 -29.080 -21.315
    8    H    LEU   2           H        LEU   2  53.358 -32.046 -23.502
    9    HA   LEU   2           HA       LEU   2  55.594 -32.686 -23.097
   10   1HB   LEU   2          2HB       LEU   2  55.104 -30.103 -21.658
   11   2HB   LEU   2          1HB       LEU   2  56.667 -30.894 -21.463
   12    HG   LEU   2           HG       LEU   2  56.019 -30.993 -24.236
   13   1HD1  LEU   2          1HD1      LEU   2  55.281 -28.918 -24.834
   14   2HD1  LEU   2          2HD1      LEU   2  56.147 -28.121 -23.521
   15   3HD1  LEU   2          3HD1      LEU   2  54.602 -28.910 -23.205
   16   1HD2  LEU   2          1HD2      LEU   2  58.101 -29.808 -24.455
   17   2HD2  LEU   2          2HD2      LEU   2  58.265 -30.862 -23.050
   18   3HD2  LEU   2          3HD2      LEU   2  57.958 -29.140 -22.828
   19    H    ALA   3           H        ALA   3  53.599 -34.004 -21.302
   20    HA   ALA   3           HA       ALA   3  55.466 -35.098 -19.367
   21   1HB   ALA   3          1HB       ALA   3  54.220 -32.722 -18.664
   22   2HB   ALA   3          2HB       ALA   3  54.926 -33.871 -17.528
   23   3HB   ALA   3          3HB       ALA   3  53.201 -33.938 -17.896
   24    H    ARG   4           H        ARG   4  53.495 -36.045 -21.443
   25    HA   ARG   4           HA       ARG   4  51.749 -37.635 -21.696
   26   1HB   ARG   4          2HB       ARG   4  53.647 -38.485 -19.542
   27   2HB   ARG   4          1HB       ARG   4  52.214 -39.477 -19.811
   28   1HG   ARG   4          2HG       ARG   4  53.133 -38.980 -22.390
   29   2HG   ARG   4          1HG       ARG   4  54.618 -39.194 -21.463
   30   1HD   ARG   4          2HD       ARG   4  54.170 -41.407 -20.985
   31   2HD   ARG   4          1HD       ARG   4  52.416 -41.157 -20.954
   32    HE   ARG   4           HE       ARG   4  54.044 -41.692 -23.345
   33   1HH1  ARG   4          1HH2      ARG   4  51.082 -40.393 -22.067
   34   2HH1  ARG   4          2HH2      ARG   4  50.208 -40.619 -23.537
   35   1HH2  ARG   4          1HH1      ARG   4  52.893 -41.978 -25.261
   36   2HH2  ARG   4          2HH1      ARG   4  51.227 -41.514 -25.344
   37    H    CYS   5           H        CYS   5  51.026 -35.299 -19.953
   38    HA   CYS   5           HA       CYS   5  48.966 -36.661 -18.249
   39   1HB   CYS   5          2HB       CYS   5  50.596 -35.651 -16.815
   40   2HB   CYS   5          1HB       CYS   5  50.669 -34.196 -17.808
   41    HA   PRO   6           HA       PRO   6  46.488 -34.283 -21.145
   42   1HB   PRO   6          2HB       PRO   6  44.113 -35.490 -20.526
   43   2HB   PRO   6          1HB       PRO   6  45.321 -36.213 -21.605
   44   1HG   PRO   6          2HG       PRO   6  44.686 -36.847 -18.783
   45   2HG   PRO   6          1HG       PRO   6  45.241 -37.908 -20.086
   46   1HD   PRO   6          2HD       PRO   6  46.838 -36.914 -18.046
   47   2HD   PRO   6          1HD       PRO   6  47.428 -37.553 -19.599
   48    H    GLY   7           H        GLY   7  44.958 -35.046 -17.968
   49   1HA   GLY   7          2HA       GLY   7  43.643 -32.451 -17.857
   50   2HA   GLY   7          1HA       GLY   7  43.665 -33.653 -16.565
   51    H    CYS   8           H        CYS   8  46.168 -31.668 -18.222
   52    HA   CYS   8           HA       CYS   8  47.242 -31.003 -15.495
   53   1HB   CYS   8          2HB       CYS   8  48.396 -31.811 -18.076
   54   2HB   CYS   8          1HB       CYS   8  49.208 -30.428 -17.344
   55    H    GLY   9           H        GLY   9  45.213 -29.637 -17.593
   56   1HA   GLY   9          2HA       GLY   9  46.480 -26.926 -17.424
   57   2HA   GLY   9          1HA       GLY   9  45.369 -27.401 -18.717
   58    H    GLN  10           H        GLN  10  44.881 -25.164 -17.001
   59    HA   GLN  10           HA       GLN  10  43.150 -24.237 -15.678
   60   1HB   GLN  10          2HB       GLN  10  42.054 -26.562 -17.175
   61   2HB   GLN  10          1HB       GLN  10  41.063 -25.987 -15.837
   62   1HG   GLN  10          2HG       GLN  10  41.631 -23.611 -16.936
   63   2HG   GLN  10          1HG       GLN  10  41.804 -24.610 -18.380
   64   1HE2  GLN  10          1HE2      GLN  10  39.851 -24.573 -19.524
   65   2HE2  GLN  10          2HE2      GLN  10  38.312 -24.660 -18.816
   66    H    GLY  11           H        GLY  11  45.111 -26.119 -14.368
   67   1HA   GLY  11          2HA       GLY  11  43.597 -27.720 -12.454
   68   2HA   GLY  11          1HA       GLY  11  45.331 -27.403 -12.399
   69    H    VAL  12           H        VAL  12  42.437 -25.288 -12.239
   70    HA   VAL  12           HA       VAL  12  43.727 -23.856  -9.972
   71    HB   VAL  12           HB       VAL  12  42.896 -22.726 -12.092
   72   1HG1  VAL  12          1HG1      VAL  12  40.155 -23.279 -10.916
   73   2HG1  VAL  12          2HG1      VAL  12  40.825 -24.166 -12.284
   74   3HG1  VAL  12          3HG1      VAL  12  40.514 -22.435 -12.419
   75   1HG2  VAL  12          1HG2      VAL  12  41.420 -21.823  -9.606
   76   2HG2  VAL  12          2HG2      VAL  12  41.996 -20.817 -10.935
   77   3HG2  VAL  12          3HG2      VAL  12  43.151 -21.577  -9.841
   78    H    GLN  13           H        GLN  13  42.554 -26.498  -9.523
   79    HA   GLN  13           HA       GLN  13  41.147 -27.600  -7.982
   80   1HB   GLN  13          2HB       GLN  13  42.243 -25.425  -6.821
   81   2HB   GLN  13          1HB       GLN  13  40.537 -25.004  -6.663
   82   1HG   GLN  13          2HG       GLN  13  40.168 -27.319  -5.692
   83   2HG   GLN  13          1HG       GLN  13  41.920 -27.495  -5.644
   84   1HE2  GLN  13          1HE2      GLN  13  41.663 -24.274  -5.068
   85   2HE2  GLN  13          2HE2      GLN  13  41.471 -24.285  -3.385
   86    H    ALA  14           H        ALA  14  39.905 -25.847 -10.373
   87    HA   ALA  14           HA       ALA  14  37.733 -25.271 -11.129
   88   1HB   ALA  14          1HB       ALA  14  37.135 -27.620  -9.301
   89   2HB   ALA  14          2HB       ALA  14  37.743 -27.753 -10.952
   90   3HB   ALA  14          3HB       ALA  14  36.140 -27.079 -10.651
   91    H    GLY  15           H        GLY  15  38.612 -23.809  -8.729
   92   1HA   GLY  15          2HA       GLY  15  36.164 -23.654  -7.061
   93   2HA   GLY  15          1HA       GLY  15  37.700 -22.868  -6.705
   94    H    CYS  16           H        CYS  16  38.238 -21.439  -8.982
   95    HA   CYS  16           HA       CYS  16  35.910 -19.549  -9.111
   96   1HB   CYS  16          2HB       CYS  16  38.913 -19.195  -9.350
   97   2HB   CYS  16          1HB       CYS  16  37.761 -17.901  -9.677
   98    HA   PRO  17           HA       PRO  17  36.448 -21.226 -13.387
   99   1HB   PRO  17          2HB       PRO  17  33.780 -21.551 -13.903
  100   2HB   PRO  17          1HB       PRO  17  34.772 -22.795 -13.120
  101   1HG   PRO  17          2HG       PRO  17  32.829 -20.897 -11.932
  102   2HG   PRO  17          1HG       PRO  17  33.208 -22.561 -11.469
  103   1HD   PRO  17          2HD       PRO  17  34.119 -20.317 -10.151
  104   2HD   PRO  17          1HD       PRO  17  34.890 -21.915 -10.081
  105    H    GLY  18           H        GLY  18  37.078 -19.217 -14.265
  106   1HA   GLY  18          2HA       GLY  18  36.229 -17.599 -15.969
  107   2HA   GLY  18          1HA       GLY  18  34.862 -17.301 -14.892
  108    H    GLY  19           H        GLY  19  36.372 -17.158 -12.435
  109   1HA   GLY  19          2HA       GLY  19  38.573 -15.370 -12.525
  110   2HA   GLY  19          1HA       GLY  19  37.090 -14.412 -12.418
  111    H    CYS  20           H        CYS  20  39.280 -14.967 -10.421
  112    HA   CYS  20           HA       CYS  20  37.669 -16.233  -8.237
  113   1HB   CYS  20          2HB       CYS  20  40.174 -16.780  -9.134
  114   2HB   CYS  20          1HB       CYS  20  40.554 -15.577  -7.903
  115    H    VAL  21           H        VAL  21  37.024 -13.574  -8.985
  116    HA   VAL  21           HA       VAL  21  37.722 -12.117  -6.488
  117    HB   VAL  21           HB       VAL  21  37.939 -10.081  -8.213
  118   1HG1  VAL  21          1HG1      VAL  21  39.706 -10.613  -6.680
  119   2HG1  VAL  21          2HG1      VAL  21  40.432 -10.560  -8.285
  120   3HG1  VAL  21          3HG1      VAL  21  40.074 -12.113  -7.530
  121   1HG2  VAL  21          1HG2      VAL  21  37.481 -11.674 -10.152
  122   2HG2  VAL  21          2HG2      VAL  21  39.073 -12.365  -9.838
  123   3HG2  VAL  21          3HG2      VAL  21  38.927 -10.674 -10.311
  124    H    GLU  22           H        GLU  22  35.312 -13.309  -6.877
  125    HA   GLU  22           HA       GLU  22  33.379 -11.635  -8.246
  126   1HB   GLU  22          2HB       GLU  22  33.081 -13.871  -6.221
  127   2HB   GLU  22          1HB       GLU  22  31.821 -13.287  -7.301
  128   1HG   GLU  22          2HG       GLU  22  32.523 -14.854  -8.772
  129   2HG   GLU  22          1HG       GLU  22  33.954 -13.854  -9.016
  130    H    GLU  23           H        GLU  23  34.542 -11.917  -4.912
  131    HA   GLU  23           HA       GLU  23  33.201  -9.415  -4.203
  132   1HB   GLU  23          2HB       GLU  23  31.538 -11.396  -4.065
  133   2HB   GLU  23          1HB       GLU  23  32.475 -11.919  -2.669
  134   1HG   GLU  23          2HG       GLU  23  32.126  -9.479  -1.813
  135   2HG   GLU  23          1HG       GLU  23  30.816  -9.427  -2.996
  136    H    GLU  24           H        GLU  24  35.034  -8.483  -3.270
  137    HA   GLU  24           HA       GLU  24  36.825 -10.100  -1.582
  138   1HB   GLU  24          2HB       GLU  24  36.835  -7.402  -2.886
  139   2HB   GLU  24          1HB       GLU  24  37.881  -7.643  -1.488
  140   1HG   GLU  24          2HG       GLU  24  38.080  -9.907  -3.279
  141   2HG   GLU  24          1HG       GLU  24  38.411  -8.410  -4.150
  142    H    ASP  25           H        ASP  25  37.285  -9.471   0.642
  143    HA   ASP  25           HA       ASP  25  34.916  -8.615   2.130
  144   1HB   ASP  25          2HB       ASP  25  36.300  -9.192   4.061
  145   2HB   ASP  25          1HB       ASP  25  36.499 -10.429   2.825
  146    H    GLY  26           H        GLY  26  38.052  -7.200   1.277
  147   1HA   GLY  26          2HA       GLY  26  38.101  -4.989   3.025
  148   2HA   GLY  26          1HA       GLY  26  38.813  -4.986   1.411
  149    H    GLY  27           H        GLY  27  36.567  -5.216  -0.210
  150   1HA   GLY  27          2HA       GLY  27  35.272  -2.579   0.276
  151   2HA   GLY  27          1HA       GLY  27  35.343  -3.416  -1.276
  152    H    SER  28           H        SER  28  34.091  -4.101   2.022
  153    HA   SER  28           HA       SER  28  31.666  -5.306   0.722
  154   1HB   SER  28          2HB       SER  28  33.352  -5.910   3.112
  155   2HB   SER  28          1HB       SER  28  31.629  -6.248   3.250
  156    HG   SER  28           HG       SER  28  33.418  -7.185   1.235
  157    HA   PRO  29           HA       PRO  29  30.032  -1.560   2.801
  158   1HB   PRO  29          2HB       PRO  29  28.142  -1.008   0.907
  159   2HB   PRO  29          1HB       PRO  29  29.830  -0.485   0.760
  160   1HG   PRO  29          2HG       PRO  29  28.412  -2.705  -0.590
  161   2HG   PRO  29          1HG       PRO  29  29.733  -1.684  -1.175
  162   1HD   PRO  29          2HD       PRO  29  29.998  -4.286  -0.229
  163   2HD   PRO  29          1HD       PRO  29  31.317  -3.109  -0.394
  164    H    ALA  30           H        ALA  30  28.364  -1.724   4.301
  165    HA   ALA  30           HA       ALA  30  26.203  -3.706   3.781
  166   1HB   ALA  30          1HB       ALA  30  28.084  -4.323   5.428
  167   2HB   ALA  30          2HB       ALA  30  26.433  -4.473   6.030
  168   3HB   ALA  30          3HB       ALA  30  27.410  -3.078   6.483
  169    H    GLU  31           H        GLU  31  25.581  -1.206   3.026
  170    HA   GLU  31           HA       GLU  31  23.562  -0.364   4.964
  171   1HB   GLU  31          2HB       GLU  31  25.963   0.676   5.433
  172   2HB   GLU  31          1HB       GLU  31  25.491   1.770   4.133
  173   1HG   GLU  31          2HG       GLU  31  23.282   2.064   5.451
  174   2HG   GLU  31          1HG       GLU  31  24.158   1.355   6.808
  175    H    GLY  32           H        GLY  32  25.326   0.665   2.045
  176   1HA   GLY  32          2HA       GLY  32  23.260   2.219   0.888
  177   2HA   GLY  32          1HA       GLY  32  24.557   1.454  -0.021
  178    H    CYS  33           H        CYS  33  23.636  -1.291   0.939
  179    HA   CYS  33           HA       CYS  33  21.728  -1.747  -1.236
  180   1HB   CYS  33          2HB       CYS  33  21.988  -4.115  -0.492
  181   2HB   CYS  33          1HB       CYS  33  23.541  -3.321  -0.724
  182    H    ALA  34           H        ALA  34  20.139  -0.167  -0.028
  183    HA   ALA  34           HA       ALA  34  18.655  -1.466   2.193
  184   1HB   ALA  34          1HB       ALA  34  17.545   0.706   2.312
  185   2HB   ALA  34          2HB       ALA  34  18.225   1.173   0.754
  186   3HB   ALA  34          3HB       ALA  34  19.282   0.966   2.151
  187    H    GLU  35           H        GLU  35  18.572  -2.683  -0.525
  188    HA   GLU  35           HA       GLU  35  15.804  -2.099  -1.442
  189   1HB   GLU  35          2HB       GLU  35  18.271  -3.444  -2.492
  190   2HB   GLU  35          1HB       GLU  35  16.710  -3.891  -3.187
  191   1HG   GLU  35          2HG       GLU  35  17.667  -2.044  -4.491
  192   2HG   GLU  35          1HG       GLU  35  16.245  -1.469  -3.628
  193    H    ALA  36           H        ALA  36  14.730  -4.348  -2.250
  194    HA   ALA  36           HA       ALA  36  14.384  -5.965   0.196
  195   1HB   ALA  36          1HB       ALA  36  13.047  -6.004  -2.529
  196   2HB   ALA  36          2HB       ALA  36  12.464  -5.139  -1.107
  197   3HB   ALA  36          3HB       ALA  36  12.494  -6.901  -1.116
  198    H    GLU  37           H        GLU  37  16.925  -6.232  -1.462
  199    HA   GLU  37           HA       GLU  37  16.766  -8.828  -2.774
  200   1HB   GLU  37          2HB       GLU  37  19.142  -8.447  -3.118
  201   2HB   GLU  37          1HB       GLU  37  18.310  -6.905  -3.342
  202   1HG   GLU  37          2HG       GLU  37  18.832  -6.394  -0.900
  203   2HG   GLU  37          1HG       GLU  37  19.864  -7.822  -0.901
  204    H    GLY  38           H        GLY  38  17.235  -7.748   0.493
  205   1HA   GLY  38          2HA       GLY  38  16.988  -9.621   2.195
  206   2HA   GLY  38          1HA       GLY  38  18.235 -10.461   1.271
  207    H    CYS  39           H        CYS  39  18.850  -7.106   1.365
  208    HA   CYS  39           HA       CYS  39  21.189  -7.499   3.081
  209   1HB   CYS  39          2HB       CYS  39  20.336  -5.746   1.037
  210   2HB   CYS  39          1HB       CYS  39  20.496  -4.737   2.473
  211    H    LEU  40           H        LEU  40  17.917  -6.236   3.513
  212    HA   LEU  40           HA       LEU  40  18.570  -4.903   6.042
  213   1HB   LEU  40          2HB       LEU  40  16.719  -4.512   4.086
  214   2HB   LEU  40          1HB       LEU  40  15.754  -5.411   5.257
  215    HG   LEU  40           HG       LEU  40  17.424  -2.985   5.969
  216   1HD1  LEU  40          1HD1      LEU  40  14.448  -3.196   5.426
  217   2HD1  LEU  40          2HD1      LEU  40  15.622  -2.366   4.404
  218   3HD1  LEU  40          3HD1      LEU  40  15.282  -1.764   6.025
  219   1HD2  LEU  40          1HD2      LEU  40  16.226  -3.051   8.053
  220   2HD2  LEU  40          2HD2      LEU  40  16.832  -4.682   7.764
  221   3HD2  LEU  40          3HD2      LEU  40  15.136  -4.303   7.455
  222    H    ARG  41           H        ARG  41  16.022  -7.330   5.306
  223    HA   ARG  41           HA       ARG  41  15.173  -9.116   6.593
  224   1HB   ARG  41          2HB       ARG  41  17.795  -9.503   6.044
  225   2HB   ARG  41          1HB       ARG  41  17.860  -9.514   7.810
  226   1HG   ARG  41          2HG       ARG  41  15.613 -11.044   7.247
  227   2HG   ARG  41          1HG       ARG  41  16.748 -11.516   5.982
  228   1HD   ARG  41          2HD       ARG  41  18.225 -11.353   8.429
  229   2HD   ARG  41          1HD       ARG  41  16.761 -12.310   8.741
  230    HE   ARG  41           HE       ARG  41  18.216 -12.925   6.239
  231   1HH1  ARG  41          1HH2      ARG  41  17.604 -13.728   9.573
  232   2HH1  ARG  41          2HH2      ARG  41  18.080 -15.377   9.381
  233   1HH2  ARG  41          1HH1      ARG  41  18.855 -15.076   6.022
  234   2HH2  ARG  41          2HH1      ARG  41  18.789 -16.138   7.389
  235    H    ARG  42           H        ARG  42  14.220  -7.123   7.893
  236    HA   ARG  42           HA       ARG  42  15.270  -7.119  10.675
  237   1HB   ARG  42          2HB       ARG  42  14.216  -4.939  10.866
  238   2HB   ARG  42          1HB       ARG  42  15.161  -4.966   9.379
  239   1HG   ARG  42          2HG       ARG  42  13.054  -5.561   8.135
  240   2HG   ARG  42          1HG       ARG  42  12.163  -5.348   9.640
  241   1HD   ARG  42          2HD       ARG  42  13.950  -3.103   8.766
  242   2HD   ARG  42          1HD       ARG  42  12.410  -3.333   7.914
  243    HE   ARG  42           HE       ARG  42  12.370  -3.336  10.904
  244   1HH1  ARG  42          1HH2      ARG  42  11.655  -1.739   7.877
  245   2HH1  ARG  42          2HH2      ARG  42  10.509  -0.665   8.591
  246   1HH2  ARG  42          1HH1      ARG  42  10.908  -1.906  11.816
  247   2HH2  ARG  42          2HH1      ARG  42  10.085  -0.754  10.814
  248    H    GLU  43           H        GLU  43  13.212  -8.998   9.205
  249    HA   GLU  43           HA       GLU  43  11.141 -10.008   9.703
  250   1HB   GLU  43          2HB       GLU  43  12.232  -9.232  12.429
  251   2HB   GLU  43          1HB       GLU  43  10.948 -10.412  12.171
  252   1HG   GLU  43          2HG       GLU  43  12.524 -11.706  10.692
  253   2HG   GLU  43          1HG       GLU  43  13.808 -10.597  11.178
  254    H    GLY  44           H        GLY  44  10.036  -8.681  12.503
  255   1HA   GLY  44          2HA       GLY  44   8.462  -6.602  11.030
  256   2HA   GLY  44          1HA       GLY  44   7.819  -7.550  12.374
  257    H    GLN  45           HN       GLN  45  11.113  -6.363  12.418
  258    HA   GLN  45           HA       GLN  45  10.350  -4.588  14.709
  259   1HB   GLN  45          2HB       GLN  45  12.522  -6.449  14.074
  260   2HB   GLN  45          1HB       GLN  45  13.122  -4.896  14.649
  261   1HG   GLN  45          2HG       GLN  45  11.105  -5.316  16.427
  262   2HG   GLN  45          1HG       GLN  45  11.603  -6.981  16.108
  263   1HE2  GLN  45          1HE2      GLN  45  14.149  -7.271  16.182
  264   2HE2  GLN  45          2HE2      GLN  45  14.949  -6.426  17.415
  Start of MODEL   15
    1   1H    ALA   1          1HT       ALA   1  62.601  19.764   9.946
    2   2H    ALA   1          2HT       ALA   1  63.527  20.761  10.960
    3   3H    ALA   1          3HT       ALA   1  62.561  19.536  11.623
    4    HA   ALA   1           HA       ALA   1  63.970  17.827  10.848
    5   1HB   ALA   1          1HB       ALA   1  65.662  18.324   9.135
    6   2HB   ALA   1          2HB       ALA   1  65.265  20.041   9.214
    7   3HB   ALA   1          3HB       ALA   1  64.085  18.891   8.586
    8    H    LEU   2           H        LEU   2  65.088  17.489  12.744
    9    HA   LEU   2           HA       LEU   2  66.528  19.637  14.082
   10   1HB   LEU   2          2HB       LEU   2  66.130  16.678  14.578
   11   2HB   LEU   2          1HB       LEU   2  67.045  17.714  15.673
   12    HG   LEU   2           HG       LEU   2  64.252  18.493  14.834
   13   1HD1  LEU   2          1HD1      LEU   2  63.931  16.264  15.682
   14   2HD1  LEU   2          2HD1      LEU   2  63.493  17.376  16.978
   15   3HD1  LEU   2          3HD1      LEU   2  65.049  16.547  17.017
   16   1HD2  LEU   2          1HD2      LEU   2  64.346  19.538  17.133
   17   2HD2  LEU   2          2HD2      LEU   2  65.532  20.183  15.999
   18   3HD2  LEU   2          3HD2      LEU   2  66.029  19.025  17.234
   19    H    ALA   3           H        ALA   3  68.081  20.044  12.269
   20    HA   ALA   3           HA       ALA   3  70.454  18.277  12.519
   21   1HB   ALA   3          1HB       ALA   3  69.422  19.301   9.865
   22   2HB   ALA   3          2HB       ALA   3  68.941  17.735  10.514
   23   3HB   ALA   3          3HB       ALA   3  70.635  18.046  10.146
   24    H    ARG   4           H        ARG   4  72.388  19.426  11.347
   25    HA   ARG   4           HA       ARG   4  72.651  22.094  12.435
   26   1HB   ARG   4          2HB       ARG   4  74.336  20.271  10.719
   27   2HB   ARG   4          1HB       ARG   4  74.884  21.892  11.146
   28   1HG   ARG   4          2HG       ARG   4  73.851  20.294  13.415
   29   2HG   ARG   4          1HG       ARG   4  75.330  19.675  12.684
   30   1HD   ARG   4          2HD       ARG   4  76.302  21.183  14.142
   31   2HD   ARG   4          1HD       ARG   4  75.968  22.316  12.813
   32    HE   ARG   4           HE       ARG   4  73.632  22.019  14.492
   33   1HH1  ARG   4          1HH2      ARG   4  76.786  23.490  14.351
   34   2HH1  ARG   4          2HH2      ARG   4  76.358  24.793  15.401
   35   1HH2  ARG   4          1HH1      ARG   4  73.082  23.731  15.863
   36   2HH2  ARG   4          2HH1      ARG   4  74.266  24.932  16.248
   37    H    CYS   5           H        CYS   5  71.640  20.881   9.303
   38    HA   CYS   5           HA       CYS   5  71.677  23.692   8.282
   39   1HB   CYS   5          2HB       CYS   5  72.287  22.751   6.093
   40   2HB   CYS   5          1HB       CYS   5  73.462  22.263   7.308
   41    HA   PRO   6           HA       PRO   6  67.403  22.877   7.546
   42   1HB   PRO   6          2HB       PRO   6  66.854  24.968   5.868
   43   2HB   PRO   6          1HB       PRO   6  67.105  25.169   7.612
   44   1HG   PRO   6          2HG       PRO   6  68.926  25.768   5.356
   45   2HG   PRO   6          1HG       PRO   6  68.768  26.569   6.926
   46   1HD   PRO   6          2HD       PRO   6  70.763  24.766   6.224
   47   2HD   PRO   6          1HD       PRO   6  70.324  25.233   7.885
   48    H    GLY   7           H        GLY   7  66.670  21.268   6.206
   49   1HA   GLY   7          2HA       GLY   7  65.904  20.474   4.056
   50   2HA   GLY   7          1HA       GLY   7  67.073  21.532   3.275
   51    H    CYS   8           H        CYS   8  68.426  19.790   5.914
   52    HA   CYS   8           HA       CYS   8  69.156  17.410   4.355
   53   1HB   CYS   8          2HB       CYS   8  71.668  18.214   4.711
   54   2HB   CYS   8          1HB       CYS   8  70.742  18.740   3.306
   55    H    GLY   9           H        GLY   9  70.867  16.108   5.689
   56   1HA   GLY   9          2HA       GLY   9  71.898  15.859   7.955
   57   2HA   GLY   9          1HA       GLY   9  70.438  16.599   8.615
   58    H    GLN  10           H        GLN  10  70.666  14.405   9.861
   59    HA   GLN  10           HA       GLN  10  69.682  12.070   8.366
   60   1HB   GLN  10          2HB       GLN  10  70.297  12.485  11.308
   61   2HB   GLN  10          1HB       GLN  10  70.048  10.929  10.522
   62   1HG   GLN  10          2HG       GLN  10  71.999  11.945   8.928
   63   2HG   GLN  10          1HG       GLN  10  72.417  12.725  10.452
   64   1HE2  GLN  10          1HE2      GLN  10  71.635  10.647  12.271
   65   2HE2  GLN  10          2HE2      GLN  10  72.644   9.308  12.015
   66    H    GLY  11           H        GLY  11  67.746  14.043   8.219
   67   1HA   GLY  11          2HA       GLY  11  65.818  13.733  10.416
   68   2HA   GLY  11          1HA       GLY  11  65.574  14.679   8.948
   69    H    VAL  12           H        VAL  12  66.108  11.221   9.761
   70    HA   VAL  12           HA       VAL  12  63.723  10.586   8.063
   71    HB   VAL  12           HB       VAL  12  65.983  10.359   6.908
   72   1HG1  VAL  12          1HG1      VAL  12  67.112   9.471   9.005
   73   2HG1  VAL  12          2HG1      VAL  12  67.445   8.566   7.530
   74   3HG1  VAL  12          3HG1      VAL  12  66.286   7.945   8.706
   75   1HG2  VAL  12          1HG2      VAL  12  63.851   9.052   6.338
   76   2HG2  VAL  12          2HG2      VAL  12  64.566   7.707   7.220
   77   3HG2  VAL  12          3HG2      VAL  12  65.373   8.347   5.788
   78    H    GLN  13           H        GLN  13  64.305  10.636  11.082
   79    HA   GLN  13           HA       GLN  13  64.403   7.904  12.000
   80   1HB   GLN  13          2HB       GLN  13  64.363  10.573  13.058
   81   2HB   GLN  13          1HB       GLN  13  63.147   9.615  13.905
   82   1HG   GLN  13          2HG       GLN  13  64.709   8.161  14.796
   83   2HG   GLN  13          1HG       GLN  13  65.824   8.363  13.445
   84   1HE2  GLN  13          1HE2      GLN  13  67.004  10.524  13.356
   85   2HE2  GLN  13          2HE2      GLN  13  67.342  11.314  14.821
   86    H    ALA  14           H        ALA  14  61.834   9.788  10.655
   87    HA   ALA  14           HA       ALA  14  59.542   9.330  10.366
   88   1HB   ALA  14          1HB       ALA  14  59.062   7.064  10.037
   89   2HB   ALA  14          2HB       ALA  14  60.085   6.547  11.376
   90   3HB   ALA  14          3HB       ALA  14  60.815   7.080   9.861
   91    H    GLY  15           H        GLY  15  59.095  10.735  12.229
   92   1HA   GLY  15          2HA       GLY  15  58.111   9.199  14.600
   93   2HA   GLY  15          1HA       GLY  15  58.893  10.773  14.772
   94    H    CYS  16           H        CYS  16  56.098   9.189  13.226
   95    HA   CYS  16           HA       CYS  16  54.729  11.724  12.696
   96   1HB   CYS  16          2HB       CYS  16  54.137   8.784  12.498
   97   2HB   CYS  16          1HB       CYS  16  52.819   9.929  12.342
   98    HA   PRO  17           HA       PRO  17  53.349  11.951  16.953
   99   1HB   PRO  17          2HB       PRO  17  51.952  14.297  16.668
  100   2HB   PRO  17          1HB       PRO  17  53.714  14.225  16.862
  101   1HG   PRO  17          2HG       PRO  17  52.100  14.566  14.380
  102   2HG   PRO  17          1HG       PRO  17  53.611  15.356  14.863
  103   1HD   PRO  17          2HD       PRO  17  53.540  13.305  13.090
  104   2HD   PRO  17          1HD       PRO  17  54.918  13.591  14.182
  105    H    GLY  18           H        GLY  18  51.135  12.523  14.195
  106   1HA   GLY  18          2HA       GLY  18  49.268  10.520  15.054
  107   2HA   GLY  18          1HA       GLY  18  48.682  12.109  15.546
  108    H    GLY  19           H        GLY  19  50.174  10.677  12.649
  109   1HA   GLY  19          2HA       GLY  19  48.081  10.824  10.856
  110   2HA   GLY  19          1HA       GLY  19  48.715  12.479  10.871
  111    H    CYS  20           H        CYS  20  49.751   9.089  10.412
  112    HA   CYS  20           HA       CYS  20  52.057  10.084   8.796
  113   1HB   CYS  20          2HB       CYS  20  51.909   8.255  10.840
  114   2HB   CYS  20          1HB       CYS  20  51.846   7.213   9.424
  115    H    VAL  21           H        VAL  21  49.324   7.826   8.685
  116    HA   VAL  21           HA       VAL  21  49.774   7.457   5.744
  117    HB   VAL  21           HB       VAL  21  47.940   5.877   7.564
  118   1HG1  VAL  21          1HG1      VAL  21  48.342   4.121   5.891
  119   2HG1  VAL  21          2HG1      VAL  21  49.429   5.193   5.011
  120   3HG1  VAL  21          3HG1      VAL  21  47.709   5.573   5.120
  121   1HG2  VAL  21          1HG2      VAL  21  50.000   5.608   8.692
  122   2HG2  VAL  21          2HG2      VAL  21  50.925   5.659   7.191
  123   3HG2  VAL  21          3HG2      VAL  21  49.959   4.238   7.584
  124    H    GLU  22           H        GLU  22  48.714   9.893   6.170
  125    HA   GLU  22           HA       GLU  22  45.802   9.847   6.363
  126   1HB   GLU  22          2HB       GLU  22  47.882  11.693   6.677
  127   2HB   GLU  22          1HB       GLU  22  47.015  12.266   5.254
  128   1HG   GLU  22          2HG       GLU  22  45.707  13.276   6.850
  129   2HG   GLU  22          1HG       GLU  22  44.908  11.708   6.834
  130    H    GLU  23           H        GLU  23  46.568   8.125   4.279
  131    HA   GLU  23           HA       GLU  23  45.638   9.610   1.876
  132   1HB   GLU  23          2HB       GLU  23  47.186   8.316   0.538
  133   2HB   GLU  23          1HB       GLU  23  48.086   9.022   1.876
  134   1HG   GLU  23          2HG       GLU  23  48.270   6.956   3.001
  135   2HG   GLU  23          1HG       GLU  23  46.923   6.248   2.112
  136    H    GLU  24           H        GLU  24  45.528   6.619   3.751
  137    HA   GLU  24           HA       GLU  24  44.060   4.817   3.756
  138   1HB   GLU  24          2HB       GLU  24  42.250   6.675   2.190
  139   2HB   GLU  24          1HB       GLU  24  41.800   5.431   3.351
  140   1HG   GLU  24          2HG       GLU  24  43.183   6.807   5.066
  141   2HG   GLU  24          1HG       GLU  24  43.065   8.114   3.890
  142    H    ASP  25           H        ASP  25  42.579   3.442   2.153
  143    HA   ASP  25           HA       ASP  25  44.175   3.081  -0.340
  144   1HB   ASP  25          2HB       ASP  25  43.602   0.800  -0.147
  145   2HB   ASP  25          1HB       ASP  25  43.752   1.305   1.534
  146    H    GLY  26           H        GLY  26  40.833   3.482   0.804
  147   1HA   GLY  26          2HA       GLY  26  39.361   4.844  -0.720
  148   2HA   GLY  26          1HA       GLY  26  40.007   3.866  -2.040
  149    H    GLY  27           H        GLY  27  37.823   3.893   0.695
  150   1HA   GLY  27          2HA       GLY  27  37.111   1.151   0.785
  151   2HA   GLY  27          1HA       GLY  27  36.044   2.473   1.259
  152    H    SER  28           H        SER  28  36.639   0.069  -1.083
  153    HA   SER  28           HA       SER  28  35.192   1.326  -3.285
  154   1HB   SER  28          2HB       SER  28  35.368  -1.557  -3.450
  155   2HB   SER  28          1HB       SER  28  36.228  -0.341  -4.390
  156    HG   SER  28           HG       SER  28  37.844  -0.313  -2.882
  157    HA   PRO  29           HA       PRO  29  31.713  -1.711  -2.019
  158   1HB   PRO  29          2HB       PRO  29  31.800  -2.830   0.481
  159   2HB   PRO  29          1HB       PRO  29  32.510  -3.598  -0.952
  160   1HG   PRO  29          2HG       PRO  29  33.832  -2.072   1.230
  161   2HG   PRO  29          1HG       PRO  29  34.397  -3.495   0.342
  162   1HD   PRO  29          2HD       PRO  29  35.266  -0.949  -0.140
  163   2HD   PRO  29          1HD       PRO  29  35.278  -2.248  -1.352
  164    H    ALA  30           H        ALA  30  31.560   0.928  -1.739
  165    HA   ALA  30           HA       ALA  30  30.187   1.424   0.861
  166   1HB   ALA  30          1HB       ALA  30  31.557   3.463  -0.916
  167   2HB   ALA  30          2HB       ALA  30  32.401   2.602   0.371
  168   3HB   ALA  30          3HB       ALA  30  31.054   3.667   0.764
  169    H    GLU  31           H        GLU  31  28.733   0.308  -1.255
  170    HA   GLU  31           HA       GLU  31  27.473   2.382  -2.870
  171   1HB   GLU  31          2HB       GLU  31  27.903  -0.107  -3.413
  172   2HB   GLU  31          1HB       GLU  31  26.504  -0.438  -2.391
  173   1HG   GLU  31          2HG       GLU  31  25.266  -0.122  -4.262
  174   2HG   GLU  31          1HG       GLU  31  25.598   1.597  -4.039
  175    H    GLY  32           H        GLY  32  25.976   0.054  -0.612
  176   1HA   GLY  32          2HA       GLY  32  24.746   0.927   1.386
  177   2HA   GLY  32          1HA       GLY  32  24.226   2.271   0.370
  178    H    CYS  33           H        CYS  33  23.998  -1.261   0.680
  179    HA   CYS  33           HA       CYS  33  21.720  -1.420  -1.165
  180   1HB   CYS  33          2HB       CYS  33  21.711  -3.807  -0.305
  181   2HB   CYS  33          1HB       CYS  33  23.255  -3.290  -0.980
  182    H    ALA  34           H        ALA  34  19.630  -1.066  -0.597
  183    HA   ALA  34           HA       ALA  34  18.773  -1.476   2.239
  184   1HB   ALA  34          1HB       ALA  34  17.711   0.781   2.172
  185   2HB   ALA  34          2HB       ALA  34  18.431   1.049   0.584
  186   3HB   ALA  34          3HB       ALA  34  19.462   0.872   2.004
  187    H    GLU  35           H        GLU  35  18.261  -2.534  -0.694
  188    HA   GLU  35           HA       GLU  35  15.362  -2.031  -0.974
  189   1HB   GLU  35          2HB       GLU  35  17.414  -3.634  -2.546
  190   2HB   GLU  35          1HB       GLU  35  15.747  -3.385  -3.058
  191   1HG   GLU  35          2HG       GLU  35  16.489  -1.502  -4.080
  192   2HG   GLU  35          1HG       GLU  35  16.617  -0.813  -2.463
  193    H    ALA  36           H        ALA  36  14.506  -4.514  -1.942
  194    HA   ALA  36           HA       ALA  36  14.246  -6.037   0.572
  195   1HB   ALA  36          1HB       ALA  36  13.034  -6.444  -2.180
  196   2HB   ALA  36          2HB       ALA  36  12.338  -5.433  -0.914
  197   3HB   ALA  36          3HB       ALA  36  12.472  -7.174  -0.676
  198    H    GLU  37           H        GLU  37  16.895  -6.245  -0.508
  199    HA   GLU  37           HA       GLU  37  16.962  -9.151  -1.130
  200   1HB   GLU  37          2HB       GLU  37  18.699  -8.666  -2.846
  201   2HB   GLU  37          1HB       GLU  37  17.159  -7.881  -3.232
  202   1HG   GLU  37          2HG       GLU  37  17.982  -5.766  -2.820
  203   2HG   GLU  37          1HG       GLU  37  19.126  -6.328  -1.600
  204    H    GLY  38           H        GLY  38  17.812  -6.941   1.106
  205   1HA   GLY  38          2HA       GLY  38  19.410  -6.974   2.827
  206   2HA   GLY  38          1HA       GLY  38  19.933  -8.549   2.222
  207    H    CYS  39           H        CYS  39  21.885  -8.621   1.174
  208    HA   CYS  39           HA       CYS  39  22.907  -6.320  -0.342
  209   1HB   CYS  39          2HB       CYS  39  23.329  -6.268   2.350
  210   2HB   CYS  39          1HB       CYS  39  24.757  -7.160   1.823
  211    H    LEU  40           H        LEU  40  24.074  -9.286   1.325
  212    HA   LEU  40           HA       LEU  40  26.005  -9.962  -0.681
  213   1HB   LEU  40          2HB       LEU  40  25.872 -10.690   1.741
  214   2HB   LEU  40          1HB       LEU  40  24.581 -11.794   1.265
  215    HG   LEU  40           HG       LEU  40  27.016 -11.924  -0.414
  216   1HD1  LEU  40          1HD1      LEU  40  28.394 -13.036   1.164
  217   2HD1  LEU  40          2HD1      LEU  40  27.091 -13.152   2.346
  218   3HD1  LEU  40          3HD1      LEU  40  27.831 -11.588   1.997
  219   1HD2  LEU  40          1HD2      LEU  40  26.482 -14.242  -0.439
  220   2HD2  LEU  40          2HD2      LEU  40  24.926 -13.415  -0.461
  221   3HD2  LEU  40          3HD2      LEU  40  25.529 -14.120   1.040
  222    H    ARG  41           H        ARG  41  22.563 -10.371  -0.582
  223    HA   ARG  41           HA       ARG  41  21.051 -11.318  -2.111
  224   1HB   ARG  41          2HB       ARG  41  23.467 -10.617  -3.523
  225   2HB   ARG  41          1HB       ARG  41  22.820 -12.110  -4.200
  226   1HG   ARG  41          2HG       ARG  41  20.598 -11.021  -4.438
  227   2HG   ARG  41          1HG       ARG  41  21.280  -9.522  -3.806
  228   1HD   ARG  41          2HD       ARG  41  21.289  -9.388  -6.240
  229   2HD   ARG  41          1HD       ARG  41  22.968  -9.593  -5.701
  230    HE   ARG  41           HE       ARG  41  21.889 -12.195  -6.034
  231   1HH1  ARG  41          1HH2      ARG  41  22.613  -9.375  -7.940
  232   2HH1  ARG  41          2HH2      ARG  41  22.910 -10.275  -9.384
  233   1HH2  ARG  41          1HH1      ARG  41  22.299 -13.369  -7.912
  234   2HH2  ARG  41          2HH1      ARG  41  22.741 -12.542  -9.365
  235    H    ARG  42           H        ARG  42  21.049 -13.078  -0.420
  236    HA   ARG  42           HA       ARG  42  22.059 -15.648  -1.518
  237   1HB   ARG  42          2HB       ARG  42  23.258 -14.643   0.505
  238   2HB   ARG  42          1HB       ARG  42  21.759 -14.895   1.403
  239   1HG   ARG  42          2HG       ARG  42  21.976 -17.189   1.400
  240   2HG   ARG  42          1HG       ARG  42  22.837 -17.209  -0.135
  241   1HD   ARG  42          2HD       ARG  42  24.234 -15.864   2.116
  242   2HD   ARG  42          1HD       ARG  42  24.095 -17.629   2.217
  243    HE   ARG  42           HE       ARG  42  24.827 -16.965  -0.458
  244   1HH1  ARG  42          1HH2      ARG  42  26.090 -16.901   2.781
  245   2HH1  ARG  42          2HH2      ARG  42  27.738 -17.048   2.285
  246   1HH2  ARG  42          1HH1      ARG  42  26.988 -17.164  -1.111
  247   2HH2  ARG  42          2HH1      ARG  42  28.249 -17.201   0.071
  248    H    GLU  43           H        GLU  43  19.703 -15.325  -2.450
  249    HA   GLU  43           HA       GLU  43  17.421 -15.473  -0.753
  250   1HB   GLU  43          2HB       GLU  43  17.872 -16.347  -3.622
  251   2HB   GLU  43          1HB       GLU  43  16.287 -16.135  -2.876
  252   1HG   GLU  43          2HG       GLU  43  16.461 -13.837  -2.826
  253   2HG   GLU  43          1HG       GLU  43  18.212 -13.864  -2.651
  254    H    GLY  44           H        GLY  44  18.038 -17.157   0.811
  255   1HA   GLY  44          2HA       GLY  44  17.894 -19.334   1.670
  256   2HA   GLY  44          1HA       GLY  44  16.772 -19.642   0.349
  257    H    GLN  45           HN       GLN  45  20.250 -18.864   0.307
  258    HA   GLN  45           HA       GLN  45  20.789 -21.570  -0.843
  259   1HB   GLN  45          2HB       GLN  45  22.162 -20.473  -2.616
  260   2HB   GLN  45          1HB       GLN  45  20.454 -20.035  -2.723
  261   1HG   GLN  45          2HG       GLN  45  20.984 -17.864  -2.518
  262   2HG   GLN  45          1HG       GLN  45  21.750 -18.182  -0.966
  263   1HE2  GLN  45          1HE2      GLN  45  22.507 -18.669  -4.474
  264   2HE2  GLN  45          2HE2      GLN  45  24.143 -18.236  -4.323
  Start of MODEL   16
    1   1H    ALA   1          1HT       ALA   1  60.258  23.063  -1.579
    2   2H    ALA   1          2HT       ALA   1  60.107  24.722  -1.261
    3   3H    ALA   1          3HT       ALA   1  58.793  23.852  -1.896
    4    HA   ALA   1           HA       ALA   1  59.988  23.507   0.816
    5   1HB   ALA   1          1HB       ALA   1  58.644  25.571   0.360
    6   2HB   ALA   1          2HB       ALA   1  57.855  24.503   1.520
    7   3HB   ALA   1          3HB       ALA   1  57.301  24.550  -0.154
    8    H    LEU   2           H        LEU   2  58.368  22.116   2.144
    9    HA   LEU   2           HA       LEU   2  57.648  19.740   0.529
   10   1HB   LEU   2          2HB       LEU   2  57.838  18.553   2.632
   11   2HB   LEU   2          1HB       LEU   2  59.229  19.626   2.482
   12    HG   LEU   2           HG       LEU   2  57.011  21.011   3.753
   13   1HD1  LEU   2          1HD1      LEU   2  58.049  18.612   5.275
   14   2HD1  LEU   2          2HD1      LEU   2  56.514  18.592   4.406
   15   3HD1  LEU   2          3HD1      LEU   2  56.756  19.717   5.743
   16   1HD2  LEU   2          1HD2      LEU   2  58.929  22.010   4.428
   17   2HD2  LEU   2          2HD2      LEU   2  59.897  20.585   4.045
   18   3HD2  LEU   2          3HD2      LEU   2  59.065  20.697   5.596
   19    H    ALA   3           H        ALA   3  56.057  22.420   1.806
   20    HA   ALA   3           HA       ALA   3  53.744  21.396   3.063
   21   1HB   ALA   3          1HB       ALA   3  54.129  23.790   1.237
   22   2HB   ALA   3          2HB       ALA   3  54.368  23.760   2.984
   23   3HB   ALA   3          3HB       ALA   3  52.750  23.559   2.315
   24    H    ARG   4           H        ARG   4  54.408  21.782  -0.428
   25    HA   ARG   4           HA       ARG   4  51.971  20.164  -0.972
   26   1HB   ARG   4          2HB       ARG   4  52.785  22.853  -1.870
   27   2HB   ARG   4          1HB       ARG   4  52.238  21.796  -3.171
   28   1HG   ARG   4          2HG       ARG   4  50.195  22.639  -2.509
   29   2HG   ARG   4          1HG       ARG   4  50.292  21.259  -1.418
   30   1HD   ARG   4          2HD       ARG   4  51.686  23.327  -0.089
   31   2HD   ARG   4          1HD       ARG   4  50.228  24.087  -0.759
   32    HE   ARG   4           HE       ARG   4  49.740  21.470   0.488
   33   1HH1  ARG   4          1HH2      ARG   4  49.955  24.912   0.962
   34   2HH1  ARG   4          2HH2      ARG   4  48.900  24.915   2.325
   35   1HH2  ARG   4          1HH1      ARG   4  48.349  21.489   2.273
   36   2HH2  ARG   4          2HH1      ARG   4  48.005  22.977   3.075
   37    H    CYS   5           H        CYS   5  52.348  18.437  -2.342
   38    HA   CYS   5           HA       CYS   5  55.045  18.273  -3.642
   39   1HB   CYS   5          2HB       CYS   5  54.205  16.616  -1.840
   40   2HB   CYS   5          1HB       CYS   5  53.117  16.015  -3.087
   41    HA   PRO   6           HA       PRO   6  52.566  18.752  -7.351
   42   1HB   PRO   6          2HB       PRO   6  54.674  18.821  -9.093
   43   2HB   PRO   6          1HB       PRO   6  54.177  20.214  -8.114
   44   1HG   PRO   6          2HG       PRO   6  56.421  18.308  -7.697
   45   2HG   PRO   6          1HG       PRO   6  56.347  20.051  -7.390
   46   1HD   PRO   6          2HD       PRO   6  56.132  18.141  -5.440
   47   2HD   PRO   6          1HD       PRO   6  55.444  19.777  -5.312
   48    H    GLY   7           H        GLY   7  51.540  16.796  -7.753
   49   1HA   GLY   7          2HA       GLY   7  51.180  14.704  -8.752
   50   2HA   GLY   7          1HA       GLY   7  52.713  14.926  -9.590
   51    H    CYS   8           H        CYS   8  51.936  14.603  -6.102
   52    HA   CYS   8           HA       CYS   8  54.205  12.748  -5.780
   53   1HB   CYS   8          2HB       CYS   8  52.760  14.595  -4.212
   54   2HB   CYS   8          1HB       CYS   8  52.457  13.021  -3.482
   55    H    GLY   9           H        GLY   9  53.620  10.777  -4.222
   56   1HA   GLY   9          2HA       GLY   9  51.836   9.057  -5.727
   57   2HA   GLY   9          1HA       GLY   9  52.709   8.604  -4.263
   58    H    GLN  10           H        GLN  10  49.891   8.096  -4.943
   59    HA   GLN  10           HA       GLN  10  48.230   9.846  -3.315
   60   1HB   GLN  10          2HB       GLN  10  47.971   7.631  -5.198
   61   2HB   GLN  10          1HB       GLN  10  46.882   7.439  -3.825
   62   1HG   GLN  10          2HG       GLN  10  46.843  10.189  -4.666
   63   2HG   GLN  10          1HG       GLN  10  46.554   9.154  -6.064
   64   1HE2  GLN  10          1HE2      GLN  10  45.000   7.134  -5.298
   65   2HE2  GLN  10          2HE2      GLN  10  43.606   7.643  -4.477
   66    H    GLY  11           H        GLY  11  50.265   9.006  -1.647
   67   1HA   GLY  11          2HA       GLY  11  49.485   6.617  -0.146
   68   2HA   GLY  11          1HA       GLY  11  50.777   7.738   0.289
   69    H    VAL  12           H        VAL  12  49.668  10.105   0.694
   70    HA   VAL  12           HA       VAL  12  47.272   9.723   2.434
   71    HB   VAL  12           HB       VAL  12  49.281   9.516   3.814
   72   1HG1  VAL  12          1HG1      VAL  12  50.848  11.466   3.991
   73   2HG1  VAL  12          2HG1      VAL  12  50.055  12.173   2.583
   74   3HG1  VAL  12          3HG1      VAL  12  50.916  10.638   2.439
   75   1HG2  VAL  12          1HG2      VAL  12  47.219  10.951   4.528
   76   2HG2  VAL  12          2HG2      VAL  12  48.310  12.322   4.322
   77   3HG2  VAL  12          3HG2      VAL  12  48.698  11.053   5.482
   78    H    GLN  13           H        GLN  13  46.591  10.787   0.209
   79    HA   GLN  13           HA       GLN  13  47.163  13.630  -0.065
   80   1HB   GLN  13          2HB       GLN  13  46.684  11.936  -1.913
   81   2HB   GLN  13          1HB       GLN  13  44.995  11.986  -1.401
   82   1HG   GLN  13          2HG       GLN  13  44.931  13.657  -2.994
   83   2HG   GLN  13          1HG       GLN  13  45.412  14.627  -1.601
   84   1HE2  GLN  13          1HE2      GLN  13  46.233  14.085  -4.794
   85   2HE2  GLN  13          2HE2      GLN  13  47.870  14.529  -4.731
   86    H    ALA  14           H        ALA  14  44.492  11.657   1.166
   87    HA   ALA  14           HA       ALA  14  42.900  14.081   1.799
   88   1HB   ALA  14          1HB       ALA  14  41.945  12.002   0.734
   89   2HB   ALA  14          2HB       ALA  14  41.140  12.452   2.237
   90   3HB   ALA  14          3HB       ALA  14  42.307  11.130   2.223
   91    H    GLY  15           H        GLY  15  41.937  14.165   4.056
   92   1HA   GLY  15          2HA       GLY  15  43.936  14.216   6.085
   93   2HA   GLY  15          1HA       GLY  15  42.198  14.307   6.380
   94    H    CYS  16           H        CYS  16  41.602  11.661   5.189
   95    HA   CYS  16           HA       CYS  16  42.747   9.958   7.378
   96   1HB   CYS  16          2HB       CYS  16  40.414   8.903   5.984
   97   2HB   CYS  16          1HB       CYS  16  40.635   9.210   7.703
   98    HA   PRO  17           HA       PRO  17  44.686   8.260   3.610
   99   1HB   PRO  17          2HB       PRO  17  46.743   7.043   4.951
  100   2HB   PRO  17          1HB       PRO  17  46.759   8.754   4.476
  101   1HG   PRO  17          2HG       PRO  17  46.123   7.535   7.124
  102   2HG   PRO  17          1HG       PRO  17  47.071   8.984   6.749
  103   1HD   PRO  17          2HD       PRO  17  44.515   9.109   7.620
  104   2HD   PRO  17          1HD       PRO  17  45.203  10.308   6.496
  105    H    GLY  18           H        GLY  18  43.446   6.548   2.927
  106   1HA   GLY  18          2HA       GLY  18  42.588   4.369   2.781
  107   2HA   GLY  18          1HA       GLY  18  43.884   3.893   3.880
  108    H    GLY  19           H        GLY  19  41.716   6.368   5.022
  109   1HA   GLY  19          2HA       GLY  19  39.874   4.475   6.314
  110   2HA   GLY  19          1HA       GLY  19  41.010   5.256   7.421
  111    H    CYS  20           H        CYS  20  39.097   6.383   4.610
  112    HA   CYS  20           HA       CYS  20  37.996   8.563   6.362
  113   1HB   CYS  20          2HB       CYS  20  39.811   8.927   4.409
  114   2HB   CYS  20          1HB       CYS  20  38.348   8.987   3.428
  115    H    VAL  21           H        VAL  21  36.039   7.451   6.694
  116    HA   VAL  21           HA       VAL  21  34.352   6.996   4.261
  117    HB   VAL  21           HB       VAL  21  33.279   5.222   5.699
  118   1HG1  VAL  21          1HG1      VAL  21  36.196   4.577   5.624
  119   2HG1  VAL  21          2HG1      VAL  21  35.418   5.008   4.101
  120   3HG1  VAL  21          3HG1      VAL  21  34.826   3.635   5.036
  121   1HG2  VAL  21          1HG2      VAL  21  35.675   5.286   7.476
  122   2HG2  VAL  21          2HG2      VAL  21  34.044   4.712   7.816
  123   3HG2  VAL  21          3HG2      VAL  21  34.385   6.441   7.807
  124    H    GLU  22           H        GLU  22  34.453   9.527   5.607
  125    HA   GLU  22           HA       GLU  22  31.868   9.613   7.057
  126   1HB   GLU  22          2HB       GLU  22  34.376  11.299   7.025
  127   2HB   GLU  22          1HB       GLU  22  32.878  11.880   7.747
  128   1HG   GLU  22          2HG       GLU  22  33.176   9.287   8.753
  129   2HG   GLU  22          1HG       GLU  22  34.800   9.973   8.810
  130    H    GLU  23           H        GLU  23  31.773   9.412   4.224
  131    HA   GLU  23           HA       GLU  23  31.350  12.181   3.259
  132   1HB   GLU  23          2HB       GLU  23  32.667  10.131   2.143
  133   2HB   GLU  23          1HB       GLU  23  31.061   9.769   1.516
  134   1HG   GLU  23          2HG       GLU  23  31.723  11.199  -0.143
  135   2HG   GLU  23          1HG       GLU  23  31.170  12.427   0.998
  136    H    GLU  24           H        GLU  24  29.661   9.015   3.038
  137    HA   GLU  24           HA       GLU  24  27.116  10.197   2.336
  138   1HB   GLU  24          2HB       GLU  24  28.086   7.477   3.226
  139   2HB   GLU  24          1HB       GLU  24  26.381   7.790   2.902
  140   1HG   GLU  24          2HG       GLU  24  26.812   7.395   0.728
  141   2HG   GLU  24          1HG       GLU  24  27.711   8.912   0.712
  142    H    ASP  25           H        ASP  25  25.189  10.256   3.693
  143    HA   ASP  25           HA       ASP  25  25.817  10.749   6.560
  144   1HB   ASP  25          2HB       ASP  25  23.821  12.029   6.548
  145   2HB   ASP  25          1HB       ASP  25  24.563  12.338   4.982
  146    H    GLY  26           H        GLY  26  25.742   7.990   5.653
  147   1HA   GLY  26          2HA       GLY  26  24.582   6.603   7.666
  148   2HA   GLY  26          1HA       GLY  26  23.189   6.871   6.615
  149    H    GLY  27           H        GLY  27  23.158   5.828   4.535
  150   1HA   GLY  27          2HA       GLY  27  25.361   3.878   3.988
  151   2HA   GLY  27          1HA       GLY  27  23.691   3.311   4.052
  152    H    SER  28           H        SER  28  25.743   3.569   1.792
  153    HA   SER  28           HA       SER  28  24.467   5.489  -0.038
  154   1HB   SER  28          2HB       SER  28  26.918   4.957   0.086
  155   2HB   SER  28          1HB       SER  28  26.552   3.329  -0.475
  156    HG   SER  28           HG       SER  28  27.089   5.301  -1.986
  157    HA   PRO  29           HA       PRO  29  21.566   2.642  -1.766
  158   1HB   PRO  29          2HB       PRO  29  21.579   3.403  -4.411
  159   2HB   PRO  29          1HB       PRO  29  20.768   4.330  -3.131
  160   1HG   PRO  29          2HG       PRO  29  23.453   4.782  -4.370
  161   2HG   PRO  29          1HG       PRO  29  22.196   5.955  -3.940
  162   1HD   PRO  29          2HD       PRO  29  24.358   5.567  -2.390
  163   2HD   PRO  29          1HD       PRO  29  22.766   5.959  -1.704
  164    H    ALA  30           H        ALA  30  24.785   2.956  -3.150
  165    HA   ALA  30           HA       ALA  30  24.611   0.346  -4.519
  166   1HB   ALA  30          1HB       ALA  30  26.812   2.424  -4.276
  167   2HB   ALA  30          2HB       ALA  30  25.672   2.286  -5.614
  168   3HB   ALA  30          3HB       ALA  30  26.859   1.013  -5.340
  169    H    GLU  31           H        GLU  31  24.631   0.728  -1.457
  170    HA   GLU  31           HA       GLU  31  27.192  -0.369  -0.577
  171   1HB   GLU  31          2HB       GLU  31  25.476   1.258   0.573
  172   2HB   GLU  31          1HB       GLU  31  24.666  -0.231   1.054
  173   1HG   GLU  31          2HG       GLU  31  26.082  -0.095   2.837
  174   2HG   GLU  31          1HG       GLU  31  27.221  -0.851   1.723
  175    H    GLY  32           H        GLY  32  24.373  -1.727  -1.928
  176   1HA   GLY  32          2HA       GLY  32  23.866  -4.011  -2.289
  177   2HA   GLY  32          1HA       GLY  32  25.269  -4.437  -1.305
  178    H    CYS  33           H        CYS  33  22.815  -2.229  -0.126
  179    HA   CYS  33           HA       CYS  33  21.347  -4.275   1.385
  180   1HB   CYS  33          2HB       CYS  33  23.778  -3.187   2.392
  181   2HB   CYS  33          1HB       CYS  33  22.474  -2.459   3.328
  182    H    ALA  34           H        ALA  34  20.473  -2.268  -0.453
  183    HA   ALA  34           HA       ALA  34  19.245  -0.181   1.318
  184   1HB   ALA  34          1HB       ALA  34  20.712   0.457  -0.638
  185   2HB   ALA  34          2HB       ALA  34  19.083   1.128  -0.717
  186   3HB   ALA  34          3HB       ALA  34  19.508  -0.271  -1.703
  187    H    GLU  35           H        GLU  35  18.406  -2.303  -1.466
  188    HA   GLU  35           HA       GLU  35  15.527  -1.910  -0.859
  189   1HB   GLU  35          2HB       GLU  35  17.079  -3.257  -3.099
  190   2HB   GLU  35          1HB       GLU  35  15.319  -3.150  -3.053
  191   1HG   GLU  35          2HG       GLU  35  15.616  -0.619  -2.810
  192   2HG   GLU  35          1HG       GLU  35  17.310  -0.877  -3.230
  193    H    ALA  36           H        ALA  36  14.453  -4.323  -1.628
  194    HA   ALA  36           HA       ALA  36  15.038  -6.043   0.674
  195   1HB   ALA  36          1HB       ALA  36  13.121  -6.371  -1.661
  196   2HB   ALA  36          2HB       ALA  36  12.740  -5.510  -0.169
  197   3HB   ALA  36          3HB       ALA  36  13.055  -7.246  -0.133
  198    H    GLU  37           H        GLU  37  17.276  -5.918  -1.068
  199    HA   GLU  37           HA       GLU  37  17.291  -8.232  -2.842
  200   1HB   GLU  37          2HB       GLU  37  19.786  -7.610  -2.901
  201   2HB   GLU  37          1HB       GLU  37  18.658  -6.373  -3.459
  202   1HG   GLU  37          2HG       GLU  37  18.923  -5.080  -1.510
  203   2HG   GLU  37          1HG       GLU  37  19.533  -6.448  -0.575
  204    H    GLY  38           H        GLY  38  17.703  -7.756   0.533
  205   1HA   GLY  38          2HA       GLY  38  17.737 -10.090   1.684
  206   2HA   GLY  38          1HA       GLY  38  19.232 -10.313   0.783
  207    H    CYS  39           H        CYS  39  18.204  -7.330   2.381
  208    HA   CYS  39           HA       CYS  39  20.748  -7.345   3.899
  209   1HB   CYS  39          2HB       CYS  39  19.833  -5.390   2.524
  210   2HB   CYS  39          1HB       CYS  39  18.610  -5.213   3.780
  211    H    LEU  40           H        LEU  40  17.237  -7.003   4.568
  212    HA   LEU  40           HA       LEU  40  17.729  -7.312   7.448
  213   1HB   LEU  40          2HB       LEU  40  15.435  -6.569   5.655
  214   2HB   LEU  40          1HB       LEU  40  15.093  -7.081   7.308
  215    HG   LEU  40           HG       LEU  40  17.237  -5.031   6.858
  216   1HD1  LEU  40          1HD1      LEU  40  14.283  -4.651   6.500
  217   2HD1  LEU  40          2HD1      LEU  40  15.618  -3.891   5.633
  218   3HD1  LEU  40          3HD1      LEU  40  15.219  -3.371   7.270
  219   1HD2  LEU  40          1HD2      LEU  40  16.269  -4.237   9.048
  220   2HD2  LEU  40          2HD2      LEU  40  16.931  -5.871   9.106
  221   3HD2  LEU  40          3HD2      LEU  40  15.185  -5.627   9.011
  222    H    ARG  41           H        ARG  41  14.792  -8.708   6.214
  223    HA   ARG  41           HA       ARG  41  15.770 -11.438   6.015
  224   1HB   ARG  41          2HB       ARG  41  14.555 -12.173   8.109
  225   2HB   ARG  41          1HB       ARG  41  15.959 -11.147   8.418
  226   1HG   ARG  41          2HG       ARG  41  14.554  -9.210   8.765
  227   2HG   ARG  41          1HG       ARG  41  13.121 -10.089   8.226
  228   1HD   ARG  41          2HD       ARG  41  13.386 -11.651  10.158
  229   2HD   ARG  41          1HD       ARG  41  14.753 -10.670  10.724
  230    HE   ARG  41           HE       ARG  41  12.807  -8.775  10.371
  231   1HH1  ARG  41          1HH2      ARG  41  12.897 -11.855  11.997
  232   2HH1  ARG  41          2HH2      ARG  41  11.719 -11.405  13.179
  233   1HH2  ARG  41          1HH1      ARG  41  11.275  -8.189  11.926
  234   2HH2  ARG  41          2HH1      ARG  41  10.784  -9.338  13.126
  235    H    ARG  42           H        ARG  42  13.668 -12.963   6.198
  236    HA   ARG  42           HA       ARG  42  11.164 -11.683   5.392
  237   1HB   ARG  42          2HB       ARG  42  13.009 -11.953   3.436
  238   2HB   ARG  42          1HB       ARG  42  12.280 -13.555   3.352
  239   1HG   ARG  42          2HG       ARG  42  10.304 -11.387   3.571
  240   2HG   ARG  42          1HG       ARG  42  11.298 -11.295   2.118
  241   1HD   ARG  42          2HD       ARG  42  10.556 -13.371   1.313
  242   2HD   ARG  42          1HD       ARG  42  10.061 -13.923   2.927
  243    HE   ARG  42           HE       ARG  42   8.655 -11.541   1.838
  244   1HH1  ARG  42          1HH2      ARG  42   8.657 -14.978   2.465
  245   2HH1  ARG  42          2HH2      ARG  42   6.924 -15.079   2.539
  246   1HH2  ARG  42          1HH1      ARG  42   6.416 -11.719   1.824
  247   2HH2  ARG  42          2HH1      ARG  42   5.665 -13.257   2.114
  248    H    GLU  43           H        GLU  43  10.678 -13.036   7.391
  249    HA   GLU  43           HA       GLU  43  10.011 -15.819   6.601
  250   1HB   GLU  43          2HB       GLU  43  11.687 -14.808   8.873
  251   2HB   GLU  43          1HB       GLU  43  10.757 -16.289   9.095
  252   1HG   GLU  43          2HG       GLU  43  12.280 -17.457   7.923
  253   2HG   GLU  43          1HG       GLU  43  12.063 -16.390   6.535
  254    H    GLY  44           H        GLY  44   7.995 -16.465   7.323
  255   1HA   GLY  44          2HA       GLY  44   6.114 -16.501   8.806
  256   2HA   GLY  44          1HA       GLY  44   6.713 -15.030   9.576
  257    H    GLN  45           HN       GLN  45   6.422 -15.296   6.070
  258    HA   GLN  45           HA       GLN  45   3.883 -13.756   6.088
  259   1HB   GLN  45          2HB       GLN  45   6.603 -12.786   5.195
  260   2HB   GLN  45          1HB       GLN  45   5.131 -12.109   4.500
  261   1HG   GLN  45          2HG       GLN  45   4.497 -12.003   7.139
  262   2HG   GLN  45          1HG       GLN  45   6.244 -11.798   7.231
  263   1HE2  GLN  45          1HE2      GLN  45   3.624 -10.582   5.041
  264   2HE2  GLN  45          2HE2      GLN  45   4.168  -8.972   5.067
  Start of MODEL   17
    1   1H    ALA   1          1HT       ALA   1  62.896   6.276 -32.045
    2   2H    ALA   1          2HT       ALA   1  64.510   6.001 -32.482
    3   3H    ALA   1          3HT       ALA   1  63.631   7.245 -33.233
    4    HA   ALA   1           HA       ALA   1  65.110   8.228 -31.610
    5   1HB   ALA   1          1HB       ALA   1  63.346   9.409 -30.335
    6   2HB   ALA   1          2HB       ALA   1  62.206   8.118 -30.715
    7   3HB   ALA   1          3HB       ALA   1  62.834   9.146 -32.001
    8    H    LEU   2           H        LEU   2  66.184   7.994 -29.637
    9    HA   LEU   2           HA       LEU   2  65.092   6.189 -27.571
   10   1HB   LEU   2          2HB       LEU   2  66.664   5.110 -29.442
   11   2HB   LEU   2          1HB       LEU   2  67.939   5.806 -28.443
   12    HG   LEU   2           HG       LEU   2  67.441   3.472 -27.789
   13   1HD1  LEU   2          1HD1      LEU   2  67.499   3.851 -25.492
   14   2HD1  LEU   2          2HD1      LEU   2  66.373   5.204 -25.579
   15   3HD1  LEU   2          3HD1      LEU   2  68.038   5.403 -26.131
   16   1HD2  LEU   2          1HD2      LEU   2  65.335   2.737 -27.130
   17   2HD2  LEU   2          2HD2      LEU   2  64.911   3.858 -28.423
   18   3HD2  LEU   2          3HD2      LEU   2  64.771   4.360 -26.737
   19    H    ALA   3           H        ALA   3  65.156   7.568 -25.816
   20    HA   ALA   3           HA       ALA   3  67.619   9.198 -25.412
   21   1HB   ALA   3          1HB       ALA   3  66.014  10.699 -24.140
   22   2HB   ALA   3          2HB       ALA   3  64.708   9.685 -24.754
   23   3HB   ALA   3          3HB       ALA   3  65.718  10.597 -25.876
   24    H    ARG   4           H        ARG   4  68.081   9.603 -23.040
   25    HA   ARG   4           HA       ARG   4  67.335   7.230 -21.400
   26   1HB   ARG   4          2HB       ARG   4  69.776   7.790 -22.257
   27   2HB   ARG   4          1HB       ARG   4  69.760   8.935 -20.914
   28   1HG   ARG   4          2HG       ARG   4  69.603   7.251 -19.300
   29   2HG   ARG   4          1HG       ARG   4  68.888   6.101 -20.431
   30   1HD   ARG   4          2HD       ARG   4  71.037   5.825 -21.578
   31   2HD   ARG   4          1HD       ARG   4  71.774   7.061 -20.540
   32    HE   ARG   4           HE       ARG   4  71.729   5.532 -18.715
   33   1HH1  ARG   4          1HH2      ARG   4  69.916   4.336 -21.463
   34   2HH1  ARG   4          2HH2      ARG   4  69.840   2.714 -20.854
   35   1HH2  ARG   4          1HH1      ARG   4  71.608   3.417 -17.924
   36   2HH2  ARG   4          2HH1      ARG   4  70.799   2.193 -18.854
   37    H    CYS   5           H        CYS   5  67.092   7.653 -19.073
   38    HA   CYS   5           HA       CYS   5  66.436  10.513 -18.444
   39   1HB   CYS   5          2HB       CYS   5  64.634   9.306 -16.944
   40   2HB   CYS   5          1HB       CYS   5  64.328   9.526 -18.662
   41    HA   PRO   6           HA       PRO   6  68.828   9.859 -14.829
   42   1HB   PRO   6          2HB       PRO   6  67.642  11.529 -13.021
   43   2HB   PRO   6          1HB       PRO   6  68.619  12.107 -14.384
   44   1HG   PRO   6          2HG       PRO   6  65.676  12.085 -14.055
   45   2HG   PRO   6          1HG       PRO   6  66.712  13.211 -14.941
   46   1HD   PRO   6          2HD       PRO   6  65.190  11.166 -16.076
   47   2HD   PRO   6          1HD       PRO   6  66.532  12.029 -16.865
   48    H    GLY   7           H        GLY   7  65.345   9.953 -13.956
   49   1HA   GLY   7          2HA       GLY   7  65.855   7.775 -11.983
   50   2HA   GLY   7          1HA       GLY   7  64.469   8.859 -11.957
   51    H    CYS   8           H        CYS   8  65.955   6.428 -14.142
   52    HA   CYS   8           HA       CYS   8  63.298   5.815 -15.290
   53   1HB   CYS   8          2HB       CYS   8  65.837   4.261 -15.745
   54   2HB   CYS   8          1HB       CYS   8  64.521   4.576 -16.869
   55    H    GLY   9           H        GLY   9  62.084   4.008 -14.731
   56   1HA   GLY   9          2HA       GLY   9  62.050   1.650 -13.908
   57   2HA   GLY   9          1HA       GLY   9  63.279   2.131 -12.735
   58    H    GLN  10           H        GLN  10  59.868   2.382 -13.572
   59    HA   GLN  10           HA       GLN  10  57.986   3.029 -12.298
   60   1HB   GLN  10          2HB       GLN  10  59.953   1.893 -10.311
   61   2HB   GLN  10          1HB       GLN  10  58.351   2.424  -9.802
   62   1HG   GLN  10          2HG       GLN  10  57.329   0.635 -10.758
   63   2HG   GLN  10          1HG       GLN  10  58.319   0.740 -12.213
   64   1HE2  GLN  10          1HE2      GLN  10  58.694  -0.196  -8.738
   65   2HE2  GLN  10          2HE2      GLN  10  59.763  -1.474  -9.063
   66    H    GLY  11           H        GLY  11  59.983   5.147 -12.857
   67   1HA   GLY  11          2HA       GLY  11  59.640   6.865 -10.433
   68   2HA   GLY  11          1HA       GLY  11  60.906   7.099 -11.643
   69    H    VAL  12           H        VAL  12  59.292   6.792 -13.976
   70    HA   VAL  12           HA       VAL  12  58.098   9.462 -14.081
   71    HB   VAL  12           HB       VAL  12  58.175   7.202 -16.107
   72   1HG1  VAL  12          1HG1      VAL  12  56.586   8.823 -16.845
   73   2HG1  VAL  12          2HG1      VAL  12  58.078   9.204 -17.705
   74   3HG1  VAL  12          3HG1      VAL  12  57.597  10.167 -16.308
   75   1HG2  VAL  12          1HG2      VAL  12  60.103   8.800 -16.975
   76   2HG2  VAL  12          2HG2      VAL  12  60.443   7.621 -15.708
   77   3HG2  VAL  12          3HG2      VAL  12  60.157   9.308 -15.287
   78    H    GLN  13           H        GLN  13  56.845   6.116 -14.460
   79    HA   GLN  13           HA       GLN  13  54.088   6.955 -14.703
   80   1HB   GLN  13          2HB       GLN  13  55.410   4.748 -15.371
   81   2HB   GLN  13          1HB       GLN  13  54.911   4.229 -13.761
   82   1HG   GLN  13          2HG       GLN  13  52.597   4.462 -14.291
   83   2HG   GLN  13          1HG       GLN  13  52.947   5.383 -15.754
   84   1HE2  GLN  13          1HE2      GLN  13  53.052   2.122 -14.342
   85   2HE2  GLN  13          2HE2      GLN  13  53.210   1.306 -15.821
   86    H    ALA  14           H        ALA  14  52.619   7.332 -13.069
   87    HA   ALA  14           HA       ALA  14  53.552   7.013 -10.247
   88   1HB   ALA  14          1HB       ALA  14  52.753   9.219 -11.347
   89   2HB   ALA  14          2HB       ALA  14  52.060   8.802  -9.781
   90   3HB   ALA  14          3HB       ALA  14  51.131   8.527 -11.255
   91    H    GLY  15           H        GLY  15  51.043   6.953  -8.989
   92   1HA   GLY  15          2HA       GLY  15  49.265   4.973 -10.141
   93   2HA   GLY  15          1HA       GLY  15  50.330   4.254  -8.933
   94    H    CYS  16           H        CYS  16  49.795   4.508  -6.796
   95    HA   CYS  16           HA       CYS  16  47.512   6.361  -6.188
   96   1HB   CYS  16          2HB       CYS  16  46.676   4.247  -5.741
   97   2HB   CYS  16          1HB       CYS  16  48.273   3.571  -5.426
   98    HA   PRO  17           HA       PRO  17  50.973   8.034  -3.753
   99   1HB   PRO  17          2HB       PRO  17  50.081  10.626  -3.781
  100   2HB   PRO  17          1HB       PRO  17  51.023   9.916  -5.106
  101   1HG   PRO  17          2HG       PRO  17  48.116  10.455  -4.924
  102   2HG   PRO  17          1HG       PRO  17  49.184  10.515  -6.332
  103   1HD   PRO  17          2HD       PRO  17  47.431   8.453  -5.746
  104   2HD   PRO  17          1HD       PRO  17  48.838   8.324  -6.824
  105    H    GLY  18           H        GLY  18  49.278   6.576  -2.330
  106   1HA   GLY  18          2HA       GLY  18  48.586   6.581  -0.029
  107   2HA   GLY  18          1HA       GLY  18  48.415   8.341  -0.108
  108    H    GLY  19           H        GLY  19  46.900   7.900  -2.805
  109   1HA   GLY  19          2HA       GLY  19  44.264   7.450  -1.494
  110   2HA   GLY  19          1HA       GLY  19  44.506   8.285  -3.035
  111    H    CYS  20           H        CYS  20  44.994   5.045  -1.580
  112    HA   CYS  20           HA       CYS  20  44.871   3.737  -4.194
  113   1HB   CYS  20          2HB       CYS  20  45.170   2.928  -1.303
  114   2HB   CYS  20          1HB       CYS  20  44.847   1.703  -2.537
  115    H    VAL  21           H        VAL  21  43.115   2.599  -4.970
  116    HA   VAL  21           HA       VAL  21  40.472   3.351  -3.980
  117    HB   VAL  21           HB       VAL  21  39.728   1.999  -5.937
  118   1HG1  VAL  21          1HG1      VAL  21  41.807   4.130  -6.088
  119   2HG1  VAL  21          2HG1      VAL  21  40.149   4.129  -6.689
  120   3HG1  VAL  21          3HG1      VAL  21  41.412   3.290  -7.587
  121   1HG2  VAL  21          1HG2      VAL  21  42.604   1.552  -6.672
  122   2HG2  VAL  21          2HG2      VAL  21  41.171   0.674  -7.204
  123   3HG2  VAL  21          3HG2      VAL  21  41.824   0.401  -5.588
  124    H    GLU  22           H        GLU  22  42.551   0.576  -3.483
  125    HA   GLU  22           HA       GLU  22  40.342  -1.139  -2.601
  126   1HB   GLU  22          2HB       GLU  22  42.378  -2.644  -2.041
  127   2HB   GLU  22          1HB       GLU  22  42.053  -2.313  -3.736
  128   1HG   GLU  22          2HG       GLU  22  43.834  -0.711  -3.853
  129   2HG   GLU  22          1HG       GLU  22  43.991  -0.653  -2.095
  130    H    GLU  23           H        GLU  23  41.436   1.473  -1.131
  131    HA   GLU  23           HA       GLU  23  41.406   0.240   1.579
  132   1HB   GLU  23          2HB       GLU  23  43.335   2.156   0.299
  133   2HB   GLU  23          1HB       GLU  23  43.061   2.257   2.034
  134   1HG   GLU  23          2HG       GLU  23  43.489  -0.482   1.038
  135   2HG   GLU  23          1HG       GLU  23  44.883   0.580   0.847
  136    H    GLU  24           H        GLU  24  39.368   1.759  -0.181
  137    HA   GLU  24           HA       GLU  24  38.997   4.308   1.213
  138   1HB   GLU  24          2HB       GLU  24  37.839   2.813  -1.084
  139   2HB   GLU  24          1HB       GLU  24  36.773   3.972  -0.291
  140   1HG   GLU  24          2HG       GLU  24  39.582   4.690  -1.136
  141   2HG   GLU  24          1HG       GLU  24  38.207   4.875  -2.222
  142    H    ASP  25           H        ASP  25  38.248   1.121   2.060
  143    HA   ASP  25           HA       ASP  25  35.713   1.912   3.417
  144   1HB   ASP  25          2HB       ASP  25  35.205  -0.413   3.391
  145   2HB   ASP  25          1HB       ASP  25  35.969  -0.113   1.834
  146    H    GLY  26           H        GLY  26  38.698   2.416   4.224
  147   1HA   GLY  26          2HA       GLY  26  39.109   0.832   6.611
  148   2HA   GLY  26          1HA       GLY  26  39.996   2.297   6.169
  149    H    GLY  27           H        GLY  27  36.591   1.541   6.943
  150   1HA   GLY  27          2HA       GLY  27  35.670   2.343   9.144
  151   2HA   GLY  27          1HA       GLY  27  36.646   3.796   8.926
  152    H    SER  28           H        SER  28  35.323   2.797   5.958
  153    HA   SER  28           HA       SER  28  33.188   4.883   6.176
  154   1HB   SER  28          2HB       SER  28  34.083   3.833   3.537
  155   2HB   SER  28          1HB       SER  28  33.758   5.485   4.036
  156    HG   SER  28           HG       SER  28  36.082   4.500   3.664
  157    HA   PRO  29           HA       PRO  29  30.832   0.961   5.853
  158   1HB   PRO  29          2HB       PRO  29  28.651   1.871   7.245
  159   2HB   PRO  29          1HB       PRO  29  30.096   1.201   8.030
  160   1HG   PRO  29          2HG       PRO  29  29.275   4.041   7.684
  161   2HG   PRO  29          1HG       PRO  29  30.084   3.258   9.049
  162   1HD   PRO  29          2HD       PRO  29  31.356   4.807   7.180
  163   2HD   PRO  29          1HD       PRO  29  32.156   3.541   8.139
  164    H    ALA  30           H        ALA  30  30.871   1.949   3.517
  165    HA   ALA  30           HA       ALA  30  28.279   3.253   2.861
  166   1HB   ALA  30          1HB       ALA  30  30.905   3.015   1.355
  167   2HB   ALA  30          2HB       ALA  30  30.334   4.445   2.216
  168   3HB   ALA  30          3HB       ALA  30  29.492   3.894   0.768
  169    H    GLU  31           H        GLU  31  27.677   0.728   3.311
  170    HA   GLU  31           HA       GLU  31  28.234  -1.084   1.100
  171   1HB   GLU  31          2HB       GLU  31  27.816  -1.640   3.559
  172   2HB   GLU  31          1HB       GLU  31  26.114  -1.304   3.245
  173   1HG   GLU  31          2HG       GLU  31  25.824  -3.311   2.273
  174   2HG   GLU  31          1HG       GLU  31  27.206  -3.059   1.208
  175    H    GLY  32           H        GLY  32  25.680   1.180   1.944
  176   1HA   GLY  32          2HA       GLY  32  23.957   2.014   0.576
  177   2HA   GLY  32          1HA       GLY  32  24.599   1.029  -0.737
  178    H    CYS  33           H        CYS  33  23.333   0.058   2.476
  179    HA   CYS  33           HA       CYS  33  21.803  -2.116   1.245
  180   1HB   CYS  33          2HB       CYS  33  22.315  -1.050   4.017
  181   2HB   CYS  33          1HB       CYS  33  21.039  -2.239   3.766
  182    H    ALA  34           H        ALA  34  20.309  -0.903  -0.117
  183    HA   ALA  34           HA       ALA  34  18.322   0.805   1.323
  184   1HB   ALA  34          1HB       ALA  34  18.830   0.346  -1.640
  185   2HB   ALA  34          2HB       ALA  34  19.535   1.655  -0.689
  186   3HB   ALA  34          3HB       ALA  34  17.792   1.588  -0.940
  187    H    GLU  35           H        GLU  35  18.243  -1.620  -1.328
  188    HA   GLU  35           HA       GLU  35  15.472  -2.324  -0.640
  189   1HB   GLU  35          2HB       GLU  35  15.696  -3.756  -2.661
  190   2HB   GLU  35          1HB       GLU  35  16.241  -2.110  -2.968
  191   1HG   GLU  35          2HG       GLU  35  18.401  -3.830  -1.984
  192   2HG   GLU  35          1HG       GLU  35  17.704  -4.398  -3.504
  193    H    ALA  36           H        ALA  36  15.320  -5.027  -1.035
  194    HA   ALA  36           HA       ALA  36  16.880  -6.120   1.278
  195   1HB   ALA  36          1HB       ALA  36  14.952  -7.236   1.842
  196   2HB   ALA  36          2HB       ALA  36  14.513  -7.543   0.163
  197   3HB   ALA  36          3HB       ALA  36  14.189  -5.966   0.885
  198    H    GLU  37           H        GLU  37  17.986  -5.980  -1.457
  199    HA   GLU  37           HA       GLU  37  18.015  -8.862  -2.214
  200   1HB   GLU  37          2HB       GLU  37  17.701  -6.424  -3.652
  201   2HB   GLU  37          1HB       GLU  37  19.246  -7.128  -4.149
  202   1HG   GLU  37          2HG       GLU  37  18.110  -8.552  -5.461
  203   2HG   GLU  37          1HG       GLU  37  17.420  -9.276  -4.008
  204    H    GLY  38           H        GLY  38  20.221  -6.033  -2.131
  205   1HA   GLY  38          2HA       GLY  38  22.612  -7.651  -2.192
  206   2HA   GLY  38          1HA       GLY  38  22.551  -5.942  -1.762
  207    H    CYS  39           H        CYS  39  20.771  -6.126   0.431
  208    HA   CYS  39           HA       CYS  39  21.876  -8.069   2.359
  209   1HB   CYS  39          2HB       CYS  39  22.534  -5.993   3.825
  210   2HB   CYS  39          1HB       CYS  39  23.625  -6.519   2.547
  211    H    LEU  40           H        LEU  40  19.552  -8.600   2.419
  212    HA   LEU  40           HA       LEU  40  17.553  -6.663   3.173
  213   1HB   LEU  40          2HB       LEU  40  16.171  -8.713   3.509
  214   2HB   LEU  40          1HB       LEU  40  17.069  -8.771   1.996
  215    HG   LEU  40           HG       LEU  40  18.816  -9.903   3.856
  216   1HD1  LEU  40          1HD1      LEU  40  15.946 -10.567   4.459
  217   2HD1  LEU  40          2HD1      LEU  40  17.278 -10.273   5.578
  218   3HD1  LEU  40          3HD1      LEU  40  17.202 -11.786   4.676
  219   1HD2  LEU  40          1HD2      LEU  40  18.815 -10.981   1.841
  220   2HD2  LEU  40          2HD2      LEU  40  17.078 -10.765   1.623
  221   3HD2  LEU  40          3HD2      LEU  40  17.683 -12.056   2.663
  222    H    ARG  41           H        ARG  41  16.269  -8.114   5.351
  223    HA   ARG  41           HA       ARG  41  18.127  -8.285   7.584
  224   1HB   ARG  41          2HB       ARG  41  16.914  -6.288   8.726
  225   2HB   ARG  41          1HB       ARG  41  18.163  -5.943   7.528
  226   1HG   ARG  41          2HG       ARG  41  15.593  -6.265   6.216
  227   2HG   ARG  41          1HG       ARG  41  15.474  -5.061   7.498
  228   1HD   ARG  41          2HD       ARG  41  17.914  -4.881   5.802
  229   2HD   ARG  41          1HD       ARG  41  16.387  -4.448   5.010
  230    HE   ARG  41           HE       ARG  41  17.547  -3.107   7.407
  231   1HH1  ARG  41          1HH2      ARG  41  14.918  -3.454   5.135
  232   2HH1  ARG  41          2HH2      ARG  41  14.244  -1.912   5.510
  233   1HH2  ARG  41          1HH1      ARG  41  16.637  -1.117   7.900
  234   2HH2  ARG  41          2HH1      ARG  41  15.205  -0.590   7.073
  235    H    ARG  42           H        ARG  42  14.712  -7.996   6.547
  236    HA   ARG  42           HA       ARG  42  12.758  -9.012   7.370
  237   1HB   ARG  42          2HB       ARG  42  14.833 -10.887   8.575
  238   2HB   ARG  42          1HB       ARG  42  13.127 -11.236   8.339
  239   1HG   ARG  42          2HG       ARG  42  13.752 -10.516   5.820
  240   2HG   ARG  42          1HG       ARG  42  15.319 -11.143   6.340
  241   1HD   ARG  42          2HD       ARG  42  14.245 -13.261   7.048
  242   2HD   ARG  42          1HD       ARG  42  12.675 -12.629   6.516
  243    HE   ARG  42           HE       ARG  42  14.864 -13.502   4.748
  244   1HH1  ARG  42          1HH2      ARG  42  11.994 -11.556   5.106
  245   2HH1  ARG  42          2HH2      ARG  42  11.598 -11.603   3.420
  246   1HH2  ARG  42          1HH1      ARG  42  14.335 -13.590   2.554
  247   2HH2  ARG  42          2HH1      ARG  42  12.923 -12.771   1.969
  248    H    GLU  43           H        GLU  43  13.491  -6.795   8.812
  249    HA   GLU  43           HA       GLU  43  13.237  -5.733  10.901
  250   1HB   GLU  43          2HB       GLU  43  11.338  -7.952  10.632
  251   2HB   GLU  43          1HB       GLU  43  11.657  -7.536  12.313
  252   1HG   GLU  43          2HG       GLU  43   9.893  -6.095  11.720
  253   2HG   GLU  43          1HG       GLU  43  11.327  -5.085  11.559
  254    H    GLY  44           H        GLY  44  15.657  -6.366  11.157
  255   1HA   GLY  44          2HA       GLY  44  16.118  -7.266  13.834
  256   2HA   GLY  44          1HA       GLY  44  16.505  -8.577  12.715
  257    H    GLN  45           HN       GLN  45  17.106  -5.058  13.066
  258    HA   GLN  45           HA       GLN  45  19.999  -5.512  12.615
  259   1HB   GLN  45          2HB       GLN  45  19.893  -3.749  10.742
  260   2HB   GLN  45          1HB       GLN  45  19.292  -5.362  10.355
  261   1HG   GLN  45          2HG       GLN  45  17.284  -4.474   9.828
  262   2HG   GLN  45          1HG       GLN  45  17.133  -3.832  11.464
  263   1HE2  GLN  45          1HE2      GLN  45  18.223  -1.649  11.849
  264   2HE2  GLN  45          2HE2      GLN  45  18.318  -0.557  10.559
  Start of MODEL   18
    1   1H    ALA   1          1HT       ALA   1  27.260  -8.222 -44.590
    2   2H    ALA   1          2HT       ALA   1  26.668  -9.782 -44.267
    3   3H    ALA   1          3HT       ALA   1  27.516  -9.461 -45.706
    4    HA   ALA   1           HA       ALA   1  28.559  -9.759 -42.957
    5   1HB   ALA   1          1HB       ALA   1  28.446 -11.575 -44.760
    6   2HB   ALA   1          2HB       ALA   1  30.049 -11.275 -44.087
    7   3HB   ALA   1          3HB       ALA   1  29.616 -10.619 -45.667
    8    H    LEU   2           H        LEU   2  30.956  -9.195 -42.808
    9    HA   LEU   2           HA       LEU   2  32.747  -7.664 -42.974
   10   1HB   LEU   2          2HB       LEU   2  31.767  -8.090 -45.589
   11   2HB   LEU   2          1HB       LEU   2  31.937  -6.342 -45.437
   12    HG   LEU   2           HG       LEU   2  34.116  -8.332 -44.720
   13   1HD1  LEU   2          1HD1      LEU   2  33.509  -8.232 -47.178
   14   2HD1  LEU   2          2HD1      LEU   2  35.165  -7.747 -46.815
   15   3HD1  LEU   2          3HD1      LEU   2  33.941  -6.524 -47.148
   16   1HD2  LEU   2          1HD2      LEU   2  33.888  -5.322 -44.773
   17   2HD2  LEU   2          2HD2      LEU   2  35.457  -6.100 -44.978
   18   3HD2  LEU   2          3HD2      LEU   2  34.533  -6.356 -43.498
   19    H    ALA   3           H        ALA   3  32.064  -6.346 -41.230
   20    HA   ALA   3           HA       ALA   3  30.656  -3.840 -42.005
   21   1HB   ALA   3          1HB       ALA   3  30.277  -5.729 -39.692
   22   2HB   ALA   3          2HB       ALA   3  29.058  -5.060 -40.778
   23   3HB   ALA   3          3HB       ALA   3  29.798  -4.039 -39.546
   24    H    ARG   4           H        ARG   4  32.210  -2.248 -41.830
   25    HA   ARG   4           HA       ARG   4  33.698  -1.989 -39.305
   26   1HB   ARG   4          2HB       ARG   4  35.846  -1.756 -40.726
   27   2HB   ARG   4          1HB       ARG   4  35.218  -3.381 -40.463
   28   1HG   ARG   4          2HG       ARG   4  34.622  -3.653 -42.654
   29   2HG   ARG   4          1HG       ARG   4  34.161  -1.961 -42.848
   30   1HD   ARG   4          2HD       ARG   4  37.059  -2.807 -42.553
   31   2HD   ARG   4          1HD       ARG   4  36.258  -2.679 -44.135
   32    HE   ARG   4           HE       ARG   4  35.776  -0.302 -42.520
   33   1HH1  ARG   4          1HH2      ARG   4  38.123  -1.912 -44.503
   34   2HH1  ARG   4          2HH2      ARG   4  38.906  -0.454 -44.992
   35   1HH2  ARG   4          1HH1      ARG   4  36.792   1.604 -43.182
   36   2HH2  ARG   4          2HH1      ARG   4  38.147   1.544 -44.258
   37    H    CYS   5           H        CYS   5  32.125  -0.117 -39.400
   38    HA   CYS   5           HA       CYS   5  33.349   2.182 -40.891
   39   1HB   CYS   5          2HB       CYS   5  30.900   2.983 -41.044
   40   2HB   CYS   5          1HB       CYS   5  31.373   1.654 -42.098
   41    HA   PRO   6           HA       PRO   6  33.465   3.710 -36.714
   42   1HB   PRO   6          2HB       PRO   6  34.304   6.248 -37.304
   43   2HB   PRO   6          1HB       PRO   6  35.382   4.838 -37.292
   44   1HG   PRO   6          2HG       PRO   6  34.092   6.211 -39.600
   45   2HG   PRO   6          1HG       PRO   6  35.727   5.548 -39.454
   46   1HD   PRO   6          2HD       PRO   6  33.728   4.264 -40.766
   47   2HD   PRO   6          1HD       PRO   6  35.047   3.405 -39.934
   48    H    GLY   7           H        GLY   7  31.974   5.761 -39.257
   49   1HA   GLY   7          2HA       GLY   7  30.253   7.088 -37.286
   50   2HA   GLY   7          1HA       GLY   7  30.222   7.346 -39.030
   51    H    CYS   8           H        CYS   8  29.756   4.410 -37.021
   52    HA   CYS   8           HA       CYS   8  27.152   4.004 -38.461
   53   1HB   CYS   8          2HB       CYS   8  29.448   2.234 -37.755
   54   2HB   CYS   8          1HB       CYS   8  27.837   1.516 -37.704
   55    H    GLY   9           H        GLY   9  28.815   3.885 -35.340
   56   1HA   GLY   9          2HA       GLY   9  27.517   4.461 -33.313
   57   2HA   GLY   9          1HA       GLY   9  26.155   3.586 -34.012
   58    H    GLN  10           H        GLN  10  28.073   3.287 -31.536
   59    HA   GLN  10           HA       GLN  10  29.024   1.503 -30.305
   60   1HB   GLN  10          2HB       GLN  10  26.392   1.075 -30.987
   61   2HB   GLN  10          1HB       GLN  10  27.142  -0.409 -31.575
   62   1HG   GLN  10          2HG       GLN  10  26.622  -0.940 -29.345
   63   2HG   GLN  10          1HG       GLN  10  28.317  -0.466 -29.249
   64   1HE2  GLN  10          1HE2      GLN  10  25.763  -0.167 -27.376
   65   2HE2  GLN  10          2HE2      GLN  10  25.903   1.437 -26.842
   66    H    GLY  11           H        GLY  11  30.604   1.931 -32.529
   67   1HA   GLY  11          2HA       GLY  11  30.944  -0.612 -33.973
   68   2HA   GLY  11          1HA       GLY  11  31.894   0.854 -34.227
   69    H    VAL  12           H        VAL  12  33.017   1.420 -31.860
   70    HA   VAL  12           HA       VAL  12  34.279  -1.099 -30.854
   71    HB   VAL  12           HB       VAL  12  35.569  -0.053 -32.744
   72   1HG1  VAL  12          1HG1      VAL  12  36.482   2.139 -30.959
   73   2HG1  VAL  12          2HG1      VAL  12  34.892   2.335 -31.694
   74   3HG1  VAL  12          3HG1      VAL  12  36.313   2.109 -32.712
   75   1HG2  VAL  12          1HG2      VAL  12  36.560  -1.306 -30.679
   76   2HG2  VAL  12          2HG2      VAL  12  37.157   0.286 -30.212
   77   3HG2  VAL  12          3HG2      VAL  12  37.654  -0.427 -31.747
   78    H    GLN  13           H        GLN  13  32.338   0.293 -29.422
   79    HA   GLN  13           HA       GLN  13  33.567   2.239 -27.623
   80   1HB   GLN  13          2HB       GLN  13  31.105   1.969 -28.483
   81   2HB   GLN  13          1HB       GLN  13  30.959   0.814 -27.159
   82   1HG   GLN  13          2HG       GLN  13  32.183   2.886 -25.879
   83   2HG   GLN  13          1HG       GLN  13  31.225   3.761 -27.073
   84   1HE2  GLN  13          1HE2      GLN  13  30.733   0.928 -24.863
   85   2HE2  GLN  13          2HE2      GLN  13  29.182   1.409 -24.373
   86    H    ALA  14           H        ALA  14  33.615  -1.160 -27.776
   87    HA   ALA  14           HA       ALA  14  34.217  -1.348 -24.841
   88   1HB   ALA  14          1HB       ALA  14  32.960  -3.428 -26.670
   89   2HB   ALA  14          2HB       ALA  14  32.052  -2.396 -25.562
   90   3HB   ALA  14          3HB       ALA  14  33.198  -3.584 -24.934
   91    H    GLY  15           H        GLY  15  36.124  -2.468 -24.329
   92   1HA   GLY  15          2HA       GLY  15  37.474  -4.143 -26.309
   93   2HA   GLY  15          1HA       GLY  15  38.300  -2.612 -26.011
   94    H    CYS  16           H        CYS  16  37.398  -5.700 -24.598
   95    HA   CYS  16           HA       CYS  16  38.751  -5.022 -22.035
   96   1HB   CYS  16          2HB       CYS  16  37.530  -7.658 -22.897
   97   2HB   CYS  16          1HB       CYS  16  37.786  -7.069 -21.255
   98    HA   PRO  17           HA       PRO  17  42.469  -7.094 -23.267
   99   1HB   PRO  17          2HB       PRO  17  43.485  -7.685 -20.786
  100   2HB   PRO  17          1HB       PRO  17  43.470  -6.046 -21.454
  101   1HG   PRO  17          2HG       PRO  17  41.695  -7.273 -19.418
  102   2HG   PRO  17          1HG       PRO  17  42.284  -5.610 -19.553
  103   1HD   PRO  17          2HD       PRO  17  39.759  -6.466 -20.276
  104   2HD   PRO  17          1HD       PRO  17  40.540  -4.975 -20.851
  105    H    GLY  18           H        GLY  18  43.489  -9.312 -21.475
  106   1HA   GLY  18          2HA       GLY  18  42.168 -11.529 -22.692
  107   2HA   GLY  18          1HA       GLY  18  43.284 -11.633 -21.333
  108    H    GLY  19           H        GLY  19  41.160  -9.614 -20.007
  109   1HA   GLY  19          2HA       GLY  19  38.967 -11.523 -19.480
  110   2HA   GLY  19          1HA       GLY  19  40.002 -11.125 -18.105
  111    H    CYS  20           H        CYS  20  37.205 -10.216 -19.697
  112    HA   CYS  20           HA       CYS  20  37.399  -7.316 -19.213
  113   1HB   CYS  20          2HB       CYS  20  36.117  -8.648 -21.068
  114   2HB   CYS  20          1HB       CYS  20  34.880  -8.853 -19.824
  115    H    VAL  21           H        VAL  21  36.606 -10.032 -17.257
  116    HA   VAL  21           HA       VAL  21  35.223  -8.189 -15.338
  117    HB   VAL  21           HB       VAL  21  33.771  -9.849 -16.611
  118   1HG1  VAL  21          1HG1      VAL  21  33.868 -12.187 -15.917
  119   2HG1  VAL  21          2HG1      VAL  21  35.225 -11.836 -14.846
  120   3HG1  VAL  21          3HG1      VAL  21  35.422 -11.702 -16.594
  121   1HG2  VAL  21          1HG2      VAL  21  33.785 -10.446 -13.655
  122   2HG2  VAL  21          2HG2      VAL  21  32.404 -10.286 -14.741
  123   3HG2  VAL  21          3HG2      VAL  21  33.322  -8.857 -14.267
  124    H    GLU  22           H        GLU  22  38.129  -9.192 -15.542
  125    HA   GLU  22           HA       GLU  22  38.286 -10.708 -12.992
  126   1HB   GLU  22          2HB       GLU  22  39.403 -11.208 -15.404
  127   2HB   GLU  22          1HB       GLU  22  40.690 -10.246 -14.677
  128   1HG   GLU  22          2HG       GLU  22  41.291 -12.338 -13.888
  129   2HG   GLU  22          1HG       GLU  22  40.191 -11.854 -12.596
  130    H    GLU  23           H        GLU  23  38.512  -7.529 -14.083
  131    HA   GLU  23           HA       GLU  23  40.134  -6.786 -11.713
  132   1HB   GLU  23          2HB       GLU  23  40.611  -6.249 -14.604
  133   2HB   GLU  23          1HB       GLU  23  40.953  -4.926 -13.488
  134   1HG   GLU  23          2HG       GLU  23  41.990  -7.363 -12.379
  135   2HG   GLU  23          1HG       GLU  23  42.574  -7.201 -14.035
  136    H    GLU  24           H        GLU  24  38.053  -5.529 -14.336
  137    HA   GLU  24           HA       GLU  24  37.348  -3.052 -13.149
  138   1HB   GLU  24          2HB       GLU  24  36.180  -4.948 -15.160
  139   2HB   GLU  24          1HB       GLU  24  35.196  -3.589 -14.619
  140   1HG   GLU  24          2HG       GLU  24  37.704  -2.463 -15.099
  141   2HG   GLU  24          1HG       GLU  24  37.478  -3.599 -16.430
  142    H    ASP  25           H        ASP  25  36.367  -2.822 -11.135
  143    HA   ASP  25           HA       ASP  25  34.451  -4.935 -10.239
  144   1HB   ASP  25          2HB       ASP  25  36.619  -3.886  -8.999
  145   2HB   ASP  25          1HB       ASP  25  35.404  -2.733  -8.458
  146    H    GLY  26           H        GLY  26  32.616  -4.159 -11.435
  147   1HA   GLY  26          2HA       GLY  26  31.776  -1.369 -11.235
  148   2HA   GLY  26          1HA       GLY  26  30.858  -2.668 -11.985
  149    H    GLY  27           H        GLY  27  32.017  -1.889  -8.678
  150   1HA   GLY  27          2HA       GLY  27  29.428  -1.552  -7.554
  151   2HA   GLY  27          1HA       GLY  27  29.863  -3.249  -7.364
  152    H    SER  28           H        SER  28  29.581  -2.173  -5.017
  153    HA   SER  28           HA       SER  28  32.321  -1.989  -3.942
  154   1HB   SER  28          2HB       SER  28  31.016   0.332  -4.749
  155   2HB   SER  28          1HB       SER  28  30.650   0.266  -3.026
  156    HG   SER  28           HG       SER  28  33.146   0.402  -4.343
  157    HA   PRO  29           HA       PRO  29  30.281  -3.869  -0.501
  158   1HB   PRO  29          2HB       PRO  29  31.849  -3.009   1.577
  159   2HB   PRO  29          1HB       PRO  29  32.353  -4.263   0.427
  160   1HG   PRO  29          2HG       PRO  29  33.064  -1.367   0.491
  161   2HG   PRO  29          1HG       PRO  29  34.084  -2.772   0.142
  162   1HD   PRO  29          2HD       PRO  29  33.094  -1.182  -1.812
  163   2HD   PRO  29          1HD       PRO  29  33.371  -2.922  -2.045
  164    H    ALA  30           H        ALA  30  31.137  -0.425  -0.086
  165    HA   ALA  30           HA       ALA  30  28.859  -0.009   1.745
  166   1HB   ALA  30          1HB       ALA  30  31.050   1.793   0.672
  167   2HB   ALA  30          2HB       ALA  30  31.039   0.995   2.246
  168   3HB   ALA  30          3HB       ALA  30  29.872   2.271   1.894
  169    H    GLU  31           H        GLU  31  27.964  -0.763  -0.781
  170    HA   GLU  31           HA       GLU  31  27.439   1.532  -2.484
  171   1HB   GLU  31          2HB       GLU  31  27.621  -1.061  -2.964
  172   2HB   GLU  31          1HB       GLU  31  25.909  -1.058  -2.547
  173   1HG   GLU  31          2HG       GLU  31  25.336   0.340  -4.345
  174   2HG   GLU  31          1HG       GLU  31  26.985   0.930  -4.543
  175    H    GLY  32           H        GLY  32  25.991   0.383   0.423
  176   1HA   GLY  32          2HA       GLY  32  24.232   1.640   1.518
  177   2HA   GLY  32          1HA       GLY  32  23.674   2.182  -0.068
  178    H    CYS  33           H        CYS  33  23.781  -0.596   2.114
  179    HA   CYS  33           HA       CYS  33  22.109  -2.265   0.388
  180   1HB   CYS  33          2HB       CYS  33  23.848  -2.683   2.453
  181   2HB   CYS  33          1HB       CYS  33  22.304  -2.837   3.290
  182    H    ALA  34           H        ALA  34  20.543  -0.217   0.305
  183    HA   ALA  34           HA       ALA  34  18.529  -0.457   2.529
  184   1HB   ALA  34          1HB       ALA  34  19.633   1.741   2.301
  185   2HB   ALA  34          2HB       ALA  34  17.930   1.862   1.860
  186   3HB   ALA  34          3HB       ALA  34  19.165   1.808   0.603
  187    H    GLU  35           H        GLU  35  18.255  -2.441   0.733
  188    HA   GLU  35           HA       GLU  35  15.855  -1.660  -0.849
  189   1HB   GLU  35          2HB       GLU  35  18.459  -1.984  -1.901
  190   2HB   GLU  35          1HB       GLU  35  17.582  -3.443  -2.357
  191   1HG   GLU  35          2HG       GLU  35  16.006  -2.261  -3.612
  192   2HG   GLU  35          1HG       GLU  35  16.266  -0.767  -2.710
  193    H    ALA  36           H        ALA  36  15.530  -4.117  -2.159
  194    HA   ALA  36           HA       ALA  36  14.646  -5.847   0.038
  195   1HB   ALA  36          1HB       ALA  36  14.736  -6.574  -2.890
  196   2HB   ALA  36          2HB       ALA  36  13.609  -5.342  -2.322
  197   3HB   ALA  36          3HB       ALA  36  13.508  -6.982  -1.685
  198    H    GLU  37           H        GLU  37  17.306  -5.739  -2.279
  199    HA   GLU  37           HA       GLU  37  18.549  -8.045  -0.877
  200   1HB   GLU  37          2HB       GLU  37  17.735  -7.735  -3.668
  201   2HB   GLU  37          1HB       GLU  37  19.409  -8.258  -3.493
  202   1HG   GLU  37          2HG       GLU  37  18.820 -10.269  -2.524
  203   2HG   GLU  37          1HG       GLU  37  17.375  -9.600  -1.768
  204    H    GLY  38           H        GLY  38  19.569  -6.001  -3.624
  205   1HA   GLY  38          2HA       GLY  38  21.455  -4.643  -3.910
  206   2HA   GLY  38          1HA       GLY  38  21.226  -4.187  -2.220
  207    H    CYS  39           H        CYS  39  22.573  -5.078  -0.675
  208    HA   CYS  39           HA       CYS  39  24.869  -6.668  -1.708
  209   1HB   CYS  39          2HB       CYS  39  26.094  -5.674   0.030
  210   2HB   CYS  39          1HB       CYS  39  24.952  -4.407  -0.403
  211    H    LEU  40           H        LEU  40  21.964  -7.467  -0.416
  212    HA   LEU  40           HA       LEU  40  21.149  -9.369   0.713
  213   1HB   LEU  40          2HB       LEU  40  23.737 -10.038  -0.521
  214   2HB   LEU  40          1HB       LEU  40  23.294 -11.109   0.806
  215    HG   LEU  40           HG       LEU  40  21.245 -10.405  -1.278
  216   1HD1  LEU  40          1HD1      LEU  40  21.970 -12.474  -2.507
  217   2HD1  LEU  40          2HD1      LEU  40  23.422 -12.502  -1.508
  218   3HD1  LEU  40          3HD1      LEU  40  23.133 -11.151  -2.605
  219   1HD2  LEU  40          1HD2      LEU  40  20.391 -12.625  -0.659
  220   2HD2  LEU  40          2HD2      LEU  40  20.598 -11.632   0.784
  221   3HD2  LEU  40          3HD2      LEU  40  21.781 -12.882   0.393
  222    H    ARG  41           H        ARG  41  22.301 -11.095   2.544
  223    HA   ARG  41           HA       ARG  41  23.469  -9.357   4.658
  224   1HB   ARG  41          2HB       ARG  41  20.986 -11.052   4.617
  225   2HB   ARG  41          1HB       ARG  41  21.845 -10.834   6.148
  226   1HG   ARG  41          2HG       ARG  41  21.145  -8.686   6.359
  227   2HG   ARG  41          1HG       ARG  41  21.475  -8.322   4.665
  228   1HD   ARG  41          2HD       ARG  41  19.145 -10.114   5.202
  229   2HD   ARG  41          1HD       ARG  41  18.962  -8.402   5.636
  230    HE   ARG  41           HE       ARG  41  20.192  -8.653   3.031
  231   1HH1  ARG  41          1HH2      ARG  41  17.163  -8.894   4.710
  232   2HH1  ARG  41          2HH2      ARG  41  16.215  -8.510   3.319
  233   1HH2  ARG  41          1HH1      ARG  41  18.954  -8.146   1.222
  234   2HH2  ARG  41          2HH1      ARG  41  17.227  -8.095   1.324
  235    H    ARG  42           H        ARG  42  25.346 -10.309   5.370
  236    HA   ARG  42           HA       ARG  42  25.511 -13.279   5.441
  237   1HB   ARG  42          2HB       ARG  42  26.593 -12.023   3.439
  238   2HB   ARG  42          1HB       ARG  42  27.810 -11.514   4.609
  239   1HG   ARG  42          2HG       ARG  42  28.232 -13.888   5.178
  240   2HG   ARG  42          1HG       ARG  42  27.053 -14.384   3.967
  241   1HD   ARG  42          2HD       ARG  42  29.333 -14.536   3.035
  242   2HD   ARG  42          1HD       ARG  42  28.441 -13.241   2.219
  243    HE   ARG  42           HE       ARG  42  30.483 -12.824   4.367
  244   1HH1  ARG  42          1HH2      ARG  42  28.401 -11.567   1.870
  245   2HH1  ARG  42          2HH2      ARG  42  29.191 -10.032   1.810
  246   1HH2  ARG  42          1HH1      ARG  42  31.495 -10.812   4.287
  247   2HH2  ARG  42          2HH1      ARG  42  30.944  -9.608   3.173
  248    H    GLU  43           H        GLU  43  24.914 -11.967   7.745
  249    HA   GLU  43           HA       GLU  43  27.251 -11.072   9.217
  250   1HB   GLU  43          2HB       GLU  43  25.547 -11.173  11.133
  251   2HB   GLU  43          1HB       GLU  43  25.142 -10.113   9.790
  252   1HG   GLU  43          2HG       GLU  43  24.169 -12.824   9.325
  253   2HG   GLU  43          1HG       GLU  43  23.547 -12.167  10.838
  254    H    GLY  44           H        GLY  44  28.556 -13.100   8.773
  255   1HA   GLY  44          2HA       GLY  44  29.560 -14.704  10.394
  256   2HA   GLY  44          1HA       GLY  44  27.921 -15.184  10.829
  257    H    GLN  45           HN       GLN  45  26.798 -15.424   8.247
  258    HA   GLN  45           HA       GLN  45  28.507 -17.500   6.928
  259   1HB   GLN  45          2HB       GLN  45  26.485 -18.955   6.838
  260   2HB   GLN  45          1HB       GLN  45  26.953 -18.585   8.494
  261   1HG   GLN  45          2HG       GLN  45  25.226 -16.498   7.796
  262   2HG   GLN  45          1HG       GLN  45  24.490 -17.924   7.075
  263   1HE2  GLN  45          1HE2      GLN  45  26.370 -17.661  10.139
  264   2HE2  GLN  45          2HE2      GLN  45  25.122 -18.249  11.125
  Start of MODEL   19
    1   1H    ALA   1          1HT       ALA   1  65.714  -6.774 -13.433
    2   2H    ALA   1          2HT       ALA   1  64.377  -7.745 -13.840
    3   3H    ALA   1          3HT       ALA   1  64.623  -6.254 -14.614
    4    HA   ALA   1           HA       ALA   1  66.619  -7.068 -15.678
    5   1HB   ALA   1          1HB       ALA   1  67.696  -8.707 -14.553
    6   2HB   ALA   1          2HB       ALA   1  66.456  -9.830 -15.107
    7   3HB   ALA   1          3HB       ALA   1  66.272  -9.017 -13.552
    8    H    LEU   2           H        LEU   2  66.519  -8.830 -17.511
    9    HA   LEU   2           HA       LEU   2  63.823  -8.742 -18.656
   10   1HB   LEU   2          2HB       LEU   2  64.984  -9.525 -20.670
   11   2HB   LEU   2          1HB       LEU   2  65.909  -8.224 -19.924
   12    HG   LEU   2           HG       LEU   2  66.774 -10.678 -18.740
   13   1HD1  LEU   2          1HD1      LEU   2  66.586 -10.717 -21.763
   14   2HD1  LEU   2          2HD1      LEU   2  65.949 -11.913 -20.634
   15   3HD1  LEU   2          3HD1      LEU   2  67.691 -11.743 -20.852
   16   1HD2  LEU   2          1HD2      LEU   2  68.905 -10.008 -20.039
   17   2HD2  LEU   2          2HD2      LEU   2  68.267  -8.832 -18.888
   18   3HD2  LEU   2          3HD2      LEU   2  67.970  -8.629 -20.614
   19    H    ALA   3           H        ALA   3  63.753 -11.110 -20.136
   20    HA   ALA   3           HA       ALA   3  63.219 -13.399 -20.035
   21   1HB   ALA   3          1HB       ALA   3  65.554 -13.210 -18.809
   22   2HB   ALA   3          2HB       ALA   3  64.635 -14.714 -18.728
   23   3HB   ALA   3          3HB       ALA   3  64.598 -13.583 -17.375
   24    H    ARG   4           H        ARG   4  61.864 -11.127 -18.163
   25    HA   ARG   4           HA       ARG   4  59.924 -11.033 -16.838
   26   1HB   ARG   4          2HB       ARG   4  59.735 -13.907 -17.801
   27   2HB   ARG   4          1HB       ARG   4  58.411 -12.977 -17.099
   28   1HG   ARG   4          2HG       ARG   4  59.776 -11.607 -19.327
   29   2HG   ARG   4          1HG       ARG   4  58.980 -13.110 -19.792
   30   1HD   ARG   4          2HD       ARG   4  57.050 -12.011 -18.216
   31   2HD   ARG   4          1HD       ARG   4  57.792 -10.546 -18.892
   32    HE   ARG   4           HE       ARG   4  57.408 -12.565 -20.928
   33   1HH1  ARG   4          1HH2      ARG   4  55.753 -10.163 -19.032
   34   2HH1  ARG   4          2HH2      ARG   4  54.520  -9.906 -20.212
   35   1HH2  ARG   4          1HH1      ARG   4  55.789 -12.235 -22.467
   36   2HH2  ARG   4          2HH1      ARG   4  54.554 -11.061 -22.161
   37    H    CYS   5           H        CYS   5  58.796 -12.410 -14.976
   38    HA   CYS   5           HA       CYS   5  60.750 -13.933 -13.351
   39   1HB   CYS   5          2HB       CYS   5  60.854 -12.319 -11.673
   40   2HB   CYS   5          1HB       CYS   5  60.741 -11.290 -13.089
   41    HA   PRO   6           HA       PRO   6  57.153 -16.117 -12.085
   42   1HB   PRO   6          2HB       PRO   6  57.687 -16.678  -9.451
   43   2HB   PRO   6          1HB       PRO   6  58.483 -17.503 -10.808
   44   1HG   PRO   6          2HG       PRO   6  59.477 -15.263  -9.108
   45   2HG   PRO   6          1HG       PRO   6  60.342 -16.680  -9.723
   46   1HD   PRO   6          2HD       PRO   6  60.569 -14.223 -10.838
   47   2HD   PRO   6          1HD       PRO   6  60.712 -15.725 -11.784
   48    H    GLY   7           H        GLY   7  58.128 -13.388 -10.030
   49   1HA   GLY   7          2HA       GLY   7  55.382 -13.146  -8.946
   50   2HA   GLY   7          1HA       GLY   7  56.767 -12.165  -8.473
   51    H    CYS   8           H        CYS   8  56.136 -12.623 -11.886
   52    HA   CYS   8           HA       CYS   8  55.528  -9.719 -12.124
   53   1HB   CYS   8          2HB       CYS   8  56.439 -11.938 -13.970
   54   2HB   CYS   8          1HB       CYS   8  55.925 -10.375 -14.598
   55    H    GLY   9           H        GLY   9  53.549 -12.069 -11.392
   56   1HA   GLY   9          2HA       GLY   9  51.697 -12.100 -13.651
   57   2HA   GLY   9          1HA       GLY   9  51.403 -12.789 -12.054
   58    H    GLN  10           H        GLN  10  51.671 -10.603 -10.390
   59    HA   GLN  10           HA       GLN  10  49.452  -8.847 -11.312
   60   1HB   GLN  10          2HB       GLN  10  50.364  -9.528  -8.498
   61   2HB   GLN  10          1HB       GLN  10  48.880  -8.689  -8.941
   62   1HG   GLN  10          2HG       GLN  10  48.582 -10.925 -10.427
   63   2HG   GLN  10          1HG       GLN  10  49.538 -11.586  -9.105
   64   1HE2  GLN  10          1HE2      GLN  10  46.549  -9.695  -9.744
   65   2HE2  GLN  10          2HE2      GLN  10  45.751 -10.191  -8.332
   66    H    GLY  11           H        GLY  11  52.183  -8.221 -12.030
   67   1HA   GLY  11          2HA       GLY  11  53.140  -6.185 -10.132
   68   2HA   GLY  11          1HA       GLY  11  53.890  -6.599 -11.672
   69    H    VAL  12           H        VAL  12  50.788  -5.204 -10.528
   70    HA   VAL  12           HA       VAL  12  51.122  -3.054 -12.592
   71    HB   VAL  12           HB       VAL  12  48.603  -3.325 -12.959
   72   1HG1  VAL  12          1HG1      VAL  12  50.752  -4.559 -14.156
   73   2HG1  VAL  12          2HG1      VAL  12  49.095  -4.630 -14.754
   74   3HG1  VAL  12          3HG1      VAL  12  49.726  -5.935 -13.750
   75   1HG2  VAL  12          1HG2      VAL  12  48.320  -4.677 -10.810
   76   2HG2  VAL  12          2HG2      VAL  12  49.063  -6.028 -11.667
   77   3HG2  VAL  12          3HG2      VAL  12  47.538  -5.352 -12.240
   78    H    GLN  13           H        GLN  13  51.788  -2.617  -9.925
   79    HA   GLN  13           HA       GLN  13  49.579  -1.628  -8.342
   80   1HB   GLN  13          2HB       GLN  13  52.494  -1.847  -8.243
   81   2HB   GLN  13          1HB       GLN  13  51.878  -0.435  -7.395
   82   1HG   GLN  13          2HG       GLN  13  50.372  -1.849  -6.075
   83   2HG   GLN  13          1HG       GLN  13  50.901  -3.279  -6.964
   84   1HE2  GLN  13          1HE2      GLN  13  51.347  -3.628  -4.360
   85   2HE2  GLN  13          2HE2      GLN  13  52.957  -3.322  -3.919
   86    H    ALA  14           H        ALA  14  48.644  -0.267 -10.182
   87    HA   ALA  14           HA       ALA  14  50.075   2.351 -10.480
   88   1HB   ALA  14          1HB       ALA  14  48.336   0.638 -12.187
   89   2HB   ALA  14          2HB       ALA  14  49.724   1.629 -12.636
   90   3HB   ALA  14          3HB       ALA  14  48.151   2.381 -12.378
   91    H    GLY  15           H        GLY  15  46.631   1.362 -10.646
   92   1HA   GLY  15          2HA       GLY  15  45.934   3.035  -8.351
   93   2HA   GLY  15          1HA       GLY  15  45.424   3.717  -9.896
   94    H    CYS  16           H        CYS  16  43.543   2.936 -10.812
   95    HA   CYS  16           HA       CYS  16  42.296   0.532  -9.502
   96   1HB   CYS  16          2HB       CYS  16  40.521   2.380 -10.956
   97   2HB   CYS  16          1HB       CYS  16  40.358   1.722  -9.328
   98    HA   PRO  17           HA       PRO  17  42.156  -1.363 -13.463
   99   1HB   PRO  17          2HB       PRO  17  39.741  -2.674 -13.415
  100   2HB   PRO  17          1HB       PRO  17  41.160  -3.213 -12.496
  101   1HG   PRO  17          2HG       PRO  17  38.770  -1.705 -11.574
  102   2HG   PRO  17          1HG       PRO  17  39.691  -2.972 -10.751
  103   1HD   PRO  17          2HD       PRO  17  39.938  -0.313 -10.185
  104   2HD   PRO  17          1HD       PRO  17  41.241  -1.497  -9.937
  105    H    GLY  18           H        GLY  18  38.810  -0.203 -12.809
  106   1HA   GLY  18          2HA       GLY  18  38.785   0.942 -15.573
  107   2HA   GLY  18          1HA       GLY  18  37.339   0.472 -14.664
  108    H    GLY  19           H        GLY  19  38.109   1.693 -12.160
  109   1HA   GLY  19          2HA       GLY  19  38.868   4.401 -12.303
  110   2HA   GLY  19          1HA       GLY  19  37.135   4.354 -12.620
  111    H    CYS  20           H        CYS  20  38.982   5.122 -10.195
  112    HA   CYS  20           HA       CYS  20  38.089   3.342  -8.056
  113   1HB   CYS  20          2HB       CYS  20  39.653   5.885  -8.345
  114   2HB   CYS  20          1HB       CYS  20  39.041   5.453  -6.746
  115    H    VAL  21           H        VAL  21  35.730   3.790  -8.992
  116    HA   VAL  21           HA       VAL  21  34.533   5.895  -7.242
  117    HB   VAL  21           HB       VAL  21  34.646   6.729  -9.551
  118   1HG1  VAL  21          1HG1      VAL  21  34.650   4.410 -10.583
  119   2HG1  VAL  21          2HG1      VAL  21  33.646   5.607 -11.399
  120   3HG1  VAL  21          3HG1      VAL  21  32.900   4.397 -10.354
  121   1HG2  VAL  21          1HG2      VAL  21  32.579   7.075  -8.034
  122   2HG2  VAL  21          2HG2      VAL  21  31.777   5.910  -9.091
  123   3HG2  VAL  21          3HG2      VAL  21  32.401   7.421  -9.754
  124    H    GLU  22           H        GLU  22  33.863   2.958  -9.165
  125    HA   GLU  22           HA       GLU  22  31.538   2.334  -7.478
  126   1HB   GLU  22          2HB       GLU  22  32.819   1.301  -9.989
  127   2HB   GLU  22          1HB       GLU  22  31.722   0.244  -9.106
  128   1HG   GLU  22          2HG       GLU  22  29.922   1.862  -9.276
  129   2HG   GLU  22          1HG       GLU  22  31.009   3.062  -9.977
  130    H    GLU  23           H        GLU  23  34.222   2.426  -6.253
  131    HA   GLU  23           HA       GLU  23  34.225  -0.225  -5.011
  132   1HB   GLU  23          2HB       GLU  23  36.887  -0.094  -5.595
  133   2HB   GLU  23          1HB       GLU  23  35.726  -0.948  -6.607
  134   1HG   GLU  23          2HG       GLU  23  35.774   0.672  -8.261
  135   2HG   GLU  23          1HG       GLU  23  36.085   1.976  -7.120
  136    H    GLU  24           H        GLU  24  36.781   2.246  -5.262
  137    HA   GLU  24           HA       GLU  24  37.824   3.571  -3.637
  138   1HB   GLU  24          2HB       GLU  24  35.046   3.885  -3.537
  139   2HB   GLU  24          1HB       GLU  24  35.519   3.671  -1.858
  140   1HG   GLU  24          2HG       GLU  24  37.280   5.470  -3.400
  141   2HG   GLU  24          1HG       GLU  24  35.630   6.055  -3.194
  142    H    ASP  25           H        ASP  25  37.590   3.643  -0.863
  143    HA   ASP  25           HA       ASP  25  38.466   0.889  -0.085
  144   1HB   ASP  25          2HB       ASP  25  39.129   3.704   0.718
  145   2HB   ASP  25          1HB       ASP  25  39.415   2.396   1.865
  146    H    GLY  26           H        GLY  26  37.673  -0.006   1.903
  147   1HA   GLY  26          2HA       GLY  26  36.304  -0.085   3.855
  148   2HA   GLY  26          1HA       GLY  26  35.645   1.499   3.434
  149    H    GLY  27           H        GLY  27  33.943   1.597   1.841
  150   1HA   GLY  27          2HA       GLY  27  32.046   0.783   0.709
  151   2HA   GLY  27          1HA       GLY  27  32.833  -0.795   0.638
  152    H    SER  28           H        SER  28  31.400   1.359   3.126
  153    HA   SER  28           HA       SER  28  30.671  -0.942   4.798
  154   1HB   SER  28          2HB       SER  28  29.520   1.043   6.061
  155   2HB   SER  28          1HB       SER  28  31.280   0.995   5.972
  156    HG   SER  28           HG       SER  28  29.590   2.357   4.126
  157    HA   PRO  29           HA       PRO  29  26.756  -1.515   2.744
  158   1HB   PRO  29          2HB       PRO  29  25.716  -3.326   4.517
  159   2HB   PRO  29          1HB       PRO  29  26.928  -3.750   3.290
  160   1HG   PRO  29          2HG       PRO  29  27.290  -3.216   6.199
  161   2HG   PRO  29          1HG       PRO  29  28.065  -4.430   5.165
  162   1HD   PRO  29          2HD       PRO  29  29.292  -2.119   5.909
  163   2HD   PRO  29          1HD       PRO  29  29.642  -2.965   4.387
  164    H    ALA  30           H        ALA  30  27.267  -0.158   5.866
  165    HA   ALA  30           HA       ALA  30  24.453   0.240   6.532
  166   1HB   ALA  30          1HB       ALA  30  26.197  -0.086   8.236
  167   2HB   ALA  30          2HB       ALA  30  25.445   1.498   8.433
  168   3HB   ALA  30          3HB       ALA  30  27.031   1.364   7.673
  169    H    GLU  31           H        GLU  31  26.210   1.631   4.137
  170    HA   GLU  31           HA       GLU  31  25.671   4.448   4.626
  171   1HB   GLU  31          2HB       GLU  31  27.571   4.051   3.317
  172   2HB   GLU  31          1HB       GLU  31  26.808   2.733   2.433
  173   1HG   GLU  31          2HG       GLU  31  25.354   4.375   1.259
  174   2HG   GLU  31          1HG       GLU  31  26.152   5.688   2.128
  175    H    GLY  32           H        GLY  32  24.687   2.536   1.799
  176   1HA   GLY  32          2HA       GLY  32  21.879   3.454   2.192
  177   2HA   GLY  32          1HA       GLY  32  22.666   3.727   0.635
  178    H    CYS  33           H        CYS  33  23.473   0.818   2.392
  179    HA   CYS  33           HA       CYS  33  22.399  -0.821   0.212
  180   1HB   CYS  33          2HB       CYS  33  24.481  -0.996   1.987
  181   2HB   CYS  33          1HB       CYS  33  23.311  -2.086   2.729
  182    H    ALA  34           H        ALA  34  20.147   0.191   0.821
  183    HA   ALA  34           HA       ALA  34  18.785  -1.686   2.734
  184   1HB   ALA  34          1HB       ALA  34  19.212   0.763   3.444
  185   2HB   ALA  34          2HB       ALA  34  17.571   0.142   3.616
  186   3HB   ALA  34          3HB       ALA  34  17.981   1.185   2.253
  187    H    GLU  35           H        GLU  35  18.831  -2.496   0.178
  188    HA   GLU  35           HA       GLU  35  16.491  -1.432  -1.298
  189   1HB   GLU  35          2HB       GLU  35  18.587  -3.547  -1.902
  190   2HB   GLU  35          1HB       GLU  35  17.368  -2.993  -3.048
  191   1HG   GLU  35          2HG       GLU  35  19.138  -0.959  -1.719
  192   2HG   GLU  35          1HG       GLU  35  19.772  -1.908  -3.065
  193    H    ALA  36           H        ALA  36  16.084  -4.228  -2.457
  194    HA   ALA  36           HA       ALA  36  14.455  -5.307  -0.176
  195   1HB   ALA  36          1HB       ALA  36  14.050  -5.603  -3.167
  196   2HB   ALA  36          2HB       ALA  36  13.292  -4.349  -2.184
  197   3HB   ALA  36          3HB       ALA  36  12.913  -6.047  -1.896
  198    H    GLU  37           H        GLU  37  17.351  -5.937  -1.469
  199    HA   GLU  37           HA       GLU  37  17.213  -8.800  -0.871
  200   1HB   GLU  37          2HB       GLU  37  16.388  -8.722  -3.189
  201   2HB   GLU  37          1HB       GLU  37  17.819  -7.807  -3.678
  202   1HG   GLU  37          2HG       GLU  37  19.258  -9.649  -3.356
  203   2HG   GLU  37          1HG       GLU  37  18.096 -10.495  -2.332
  204    H    GLY  38           H        GLY  38  19.267  -6.441  -2.632
  205   1HA   GLY  38          2HA       GLY  38  21.778  -7.470  -2.200
  206   2HA   GLY  38          1HA       GLY  38  21.470  -5.738  -2.188
  207    H    CYS  39           H        CYS  39  20.135  -5.322   0.142
  208    HA   CYS  39           HA       CYS  39  21.785  -6.588   2.297
  209   1HB   CYS  39          2HB       CYS  39  21.447  -3.670   1.584
  210   2HB   CYS  39          1HB       CYS  39  21.980  -4.181   3.187
  211    H    LEU  40           H        LEU  40  19.522  -7.636   2.569
  212    HA   LEU  40           HA       LEU  40  17.451  -7.762   3.721
  213   1HB   LEU  40          2HB       LEU  40  19.455  -6.411   5.252
  214   2HB   LEU  40          1HB       LEU  40  17.926  -5.593   5.563
  215    HG   LEU  40           HG       LEU  40  18.312  -7.474   7.147
  216   1HD1  LEU  40          1HD1      LEU  40  16.041  -7.906   5.178
  217   2HD1  LEU  40          2HD1      LEU  40  16.002  -6.861   6.599
  218   3HD1  LEU  40          3HD1      LEU  40  16.127  -8.608   6.794
  219   1HD2  LEU  40          1HD2      LEU  40  19.491  -8.805   5.179
  220   2HD2  LEU  40          2HD2      LEU  40  17.861  -9.422   4.908
  221   3HD2  LEU  40          3HD2      LEU  40  18.652  -9.673   6.465
  222    H    ARG  41           H        ARG  41  16.177  -5.378   5.045
  223    HA   ARG  41           HA       ARG  41  15.579  -3.653   2.715
  224   1HB   ARG  41          2HB       ARG  41  13.170  -4.045   3.046
  225   2HB   ARG  41          1HB       ARG  41  14.004  -5.581   2.774
  226   1HG   ARG  41          2HG       ARG  41  14.102  -5.087   5.580
  227   2HG   ARG  41          1HG       ARG  41  12.448  -4.759   5.068
  228   1HD   ARG  41          2HD       ARG  41  13.581  -7.192   3.851
  229   2HD   ARG  41          1HD       ARG  41  13.428  -7.273   5.619
  230    HE   ARG  41           HE       ARG  41  11.075  -6.135   4.260
  231   1HH1  ARG  41          1HH2      ARG  41  12.663  -9.011   5.407
  232   2HH1  ARG  41          2HH2      ARG  41  11.188  -9.885   5.595
  233   1HH2  ARG  41          1HH1      ARG  41   9.174  -7.284   4.496
  234   2HH2  ARG  41          2HH1      ARG  41   9.205  -8.921   5.072
  235    H    ARG  42           H        ARG  42  14.544  -1.610   3.348
  236    HA   ARG  42           HA       ARG  42  15.324  -0.778   6.065
  237   1HB   ARG  42          2HB       ARG  42  15.576   0.357   3.608
  238   2HB   ARG  42          1HB       ARG  42  14.084   1.123   4.155
  239   1HG   ARG  42          2HG       ARG  42  15.913   1.159   6.353
  240   2HG   ARG  42          1HG       ARG  42  16.784   1.730   4.929
  241   1HD   ARG  42          2HD       ARG  42  14.548   3.148   4.553
  242   2HD   ARG  42          1HD       ARG  42  14.411   2.942   6.306
  243    HE   ARG  42           HE       ARG  42  16.346   4.262   6.593
  244   1HH1  ARG  42          1HH2      ARG  42  15.972   3.291   3.280
  245   2HH1  ARG  42          2HH2      ARG  42  17.186   4.369   2.687
  246   1HH2  ARG  42          1HH1      ARG  42  17.951   5.657   5.824
  247   2HH2  ARG  42          2HH1      ARG  42  18.325   5.691   4.137
  248    H    GLU  43           H        GLU  43  12.433  -0.780   3.992
  249    HA   GLU  43           HA       GLU  43  10.705   0.146   6.147
  250   1HB   GLU  43          2HB       GLU  43  10.621  -0.314   3.247
  251   2HB   GLU  43          1HB       GLU  43   9.103  -0.702   4.055
  252   1HG   GLU  43          2HG       GLU  43   9.185   1.678   3.315
  253   2HG   GLU  43          1HG       GLU  43   9.055   1.545   5.071
  254    H    GLY  44           H        GLY  44   9.187  -1.105   7.252
  255   1HA   GLY  44          2HA       GLY  44   9.815  -3.939   7.502
  256   2HA   GLY  44          1HA       GLY  44   8.566  -3.071   8.385
  257    H    GLN  45           HN       GLN  45   9.191  -4.010   4.970
  258    HA   GLN  45           HA       GLN  45   6.548  -5.353   4.849
  259   1HB   GLN  45          2HB       GLN  45   5.723  -3.872   3.081
  260   2HB   GLN  45          1HB       GLN  45   6.146  -2.902   4.487
  261   1HG   GLN  45          2HG       GLN  45   7.518  -1.675   3.176
  262   2HG   GLN  45          1HG       GLN  45   8.496  -3.120   2.909
  263   1HE2  GLN  45          1HE2      GLN  45   8.838  -3.184   0.692
  264   2HE2  GLN  45          2HE2      GLN  45   7.633  -3.046  -0.491
  Start of MODEL   20
    1   1H    ALA   1          1HT       ALA   1   7.816   3.484  47.910
    2   2H    ALA   1          2HT       ALA   1   7.984   5.054  47.291
    3   3H    ALA   1          3HT       ALA   1   9.335   4.233  47.906
    4    HA   ALA   1           HA       ALA   1   9.409   4.196  45.497
    5   1HB   ALA   1          1HB       ALA   1   9.473   1.678  45.338
    6   2HB   ALA   1          2HB       ALA   1   8.685   1.608  46.915
    7   3HB   ALA   1          3HB       ALA   1  10.297   2.310  46.761
    8    H    LEU   2           H        LEU   2   7.839   4.968  44.075
    9    HA   LEU   2           HA       LEU   2   5.067   4.205  44.142
   10   1HB   LEU   2          2HB       LEU   2   6.928   5.785  42.436
   11   2HB   LEU   2          1HB       LEU   2   5.454   5.219  41.650
   12    HG   LEU   2           HG       LEU   2   4.214   6.151  43.722
   13   1HD1  LEU   2          1HD1      LEU   2   6.271   6.449  45.093
   14   2HD1  LEU   2          2HD1      LEU   2   5.380   7.958  44.897
   15   3HD1  LEU   2          3HD1      LEU   2   6.835   7.665  43.946
   16   1HD2  LEU   2          1HD2      LEU   2   5.616   7.906  41.688
   17   2HD2  LEU   2          2HD2      LEU   2   4.352   8.502  42.764
   18   3HD2  LEU   2          3HD2      LEU   2   3.986   7.239  41.589
   19    H    ALA   3           H        ALA   3   3.933   2.913  42.527
   20    HA   ALA   3           HA       ALA   3   5.315   0.469  41.805
   21   1HB   ALA   3          1HB       ALA   3   3.087  -0.152  40.962
   22   2HB   ALA   3          2HB       ALA   3   2.566   1.530  41.074
   23   3HB   ALA   3          3HB       ALA   3   2.945   0.622  42.539
   24    H    ARG   4           H        ARG   4   6.953   1.818  40.421
   25    HA   ARG   4           HA       ARG   4   5.867   2.203  37.675
   26   1HB   ARG   4          2HB       ARG   4   7.791   3.776  37.398
   27   2HB   ARG   4          1HB       ARG   4   6.695   4.257  38.689
   28   1HG   ARG   4          2HG       ARG   4   8.434   4.268  40.119
   29   2HG   ARG   4          1HG       ARG   4   8.634   2.536  39.862
   30   1HD   ARG   4          2HD       ARG   4  10.089   2.969  37.921
   31   2HD   ARG   4          1HD       ARG   4   9.857   4.715  38.133
   32    HE   ARG   4           HE       ARG   4  11.315   4.646  39.993
   33   1HH1  ARG   4          1HH2      ARG   4  10.223   1.448  39.127
   34   2HH1  ARG   4          2HH2      ARG   4  11.320   0.657  40.211
   35   1HH2  ARG   4          1HH1      ARG   4  12.737   3.602  41.401
   36   2HH2  ARG   4          2HH1      ARG   4  12.737   1.875  41.499
   37    H    CYS   5           H        CYS   5   6.283   0.308  36.582
   38    HA   CYS   5           HA       CYS   5   9.119  -0.574  36.382
   39   1HB   CYS   5          2HB       CYS   5   8.260  -1.916  38.187
   40   2HB   CYS   5          1HB       CYS   5   6.759  -2.233  37.317
   41    HA   PRO   6           HA       PRO   6   7.292  -0.869  32.286
   42   1HB   PRO   6          2HB       PRO   6   9.635  -0.525  30.927
   43   2HB   PRO   6          1HB       PRO   6   8.728   0.817  31.649
   44   1HG   PRO   6          2HG       PRO   6  11.245  -0.421  32.518
   45   2HG   PRO   6          1HG       PRO   6  10.603   1.192  32.853
   46   1HD   PRO   6          2HD       PRO   6  10.584  -1.081  34.578
   47   2HD   PRO   6          1HD       PRO   6   9.863   0.520  34.871
   48    H    GLY   7           H        GLY   7   9.958  -2.817  33.570
   49   1HA   GLY   7          2HA       GLY   7   9.534  -4.796  31.376
   50   2HA   GLY   7          1HA       GLY   7  11.004  -4.674  32.337
   51    H    CYS   8           H        CYS   8   7.505  -5.312  32.794
   52    HA   CYS   8           HA       CYS   8   8.150  -7.741  34.317
   53   1HB   CYS   8          2HB       CYS   8   6.677  -6.722  36.261
   54   2HB   CYS   8          1HB       CYS   8   8.392  -6.336  36.161
   55    H    GLY   9           H        GLY   9   6.300  -9.118  34.540
   56   1HA   GLY   9          2HA       GLY   9   3.982  -9.696  34.310
   57   2HA   GLY   9          1HA       GLY   9   3.689  -8.136  33.541
   58    H    GLN  10           H        GLN  10   3.533  -8.148  31.338
   59    HA   GLN  10           HA       GLN  10   5.035 -10.084  29.726
   60   1HB   GLN  10          2HB       GLN  10   2.887 -10.917  28.672
   61   2HB   GLN  10          1HB       GLN  10   3.124 -11.415  30.346
   62   1HG   GLN  10          2HG       GLN  10   1.689  -9.489  31.069
   63   2HG   GLN  10          1HG       GLN  10   1.376  -9.135  29.369
   64   1HE2  GLN  10          1HE2      GLN  10   1.199 -11.944  31.638
   65   2HE2  GLN  10          2HE2      GLN  10  -0.212 -12.584  30.949
   66    H    GLY  11           H        GLY  11   4.807  -7.098  29.981
   67   1HA   GLY  11          2HA       GLY  11   3.488  -6.263  27.478
   68   2HA   GLY  11          1HA       GLY  11   4.309  -5.201  28.623
   69    H    VAL  12           H        VAL  12   5.156  -7.952  26.500
   70    HA   VAL  12           HA       VAL  12   7.566  -6.391  25.614
   71    HB   VAL  12           HB       VAL  12   7.290  -9.376  26.162
   72   1HG1  VAL  12          1HG1      VAL  12   9.261  -7.783  24.700
   73   2HG1  VAL  12          2HG1      VAL  12   9.071  -9.536  24.776
   74   3HG1  VAL  12          3HG1      VAL  12   9.985  -8.690  26.025
   75   1HG2  VAL  12          1HG2      VAL  12   7.399  -8.324  28.276
   76   2HG2  VAL  12          2HG2      VAL  12   8.497  -7.073  27.693
   77   3HG2  VAL  12          3HG2      VAL  12   9.085  -8.718  27.923
   78    H    GLN  13           H        GLN  13   6.177  -9.529  24.609
   79    HA   GLN  13           HA       GLN  13   5.700 -10.341  22.456
   80   1HB   GLN  13          2HB       GLN  13   4.158  -7.956  23.161
   81   2HB   GLN  13          1HB       GLN  13   4.145  -8.322  21.445
   82   1HG   GLN  13          2HG       GLN  13   3.658 -10.766  22.214
   83   2HG   GLN  13          1HG       GLN  13   3.182 -10.016  23.736
   84   1HE2  GLN  13          1HE2      GLN  13   1.715  -7.872  23.190
   85   2HE2  GLN  13          2HE2      GLN  13   0.448  -8.188  22.105
   86    H    ALA  14           H        ALA  14   8.264  -8.888  22.542
   87    HA   ALA  14           HA       ALA  14   8.470  -7.080  20.286
   88   1HB   ALA  14          1HB       ALA  14  10.892  -7.400  20.689
   89   2HB   ALA  14          2HB       ALA  14  10.533  -8.767  21.743
   90   3HB   ALA  14          3HB       ALA  14  10.026  -7.141  22.203
   91    H    GLY  15           H        GLY  15   8.470 -10.565  20.576
   92   1HA   GLY  15          2HA       GLY  15   7.944 -11.573  18.236
   93   2HA   GLY  15          1HA       GLY  15   9.487 -10.840  17.785
   94    H    CYS  16           H        CYS  16  11.154 -11.374  19.823
   95    HA   CYS  16           HA       CYS  16  11.418 -14.314  19.658
   96   1HB   CYS  16          2HB       CYS  16  13.628 -13.714  20.863
   97   2HB   CYS  16          1HB       CYS  16  13.420 -13.149  19.208
   98    HA   PRO  17           HA       PRO  17   9.644 -14.609  23.740
   99   1HB   PRO  17          2HB       PRO  17   9.630 -17.343  23.859
  100   2HB   PRO  17          1HB       PRO  17   8.419 -16.413  22.957
  101   1HG   PRO  17          2HG       PRO  17  10.784 -17.905  21.964
  102   2HG   PRO  17          1HG       PRO  17   9.195 -17.680  21.219
  103   1HD   PRO  17          2HD       PRO  17  11.476 -16.302  20.501
  104   2HD   PRO  17          1HD       PRO  17   9.813 -15.744  20.199
  105    H    GLY  18           H        GLY  18  11.787 -13.700  24.504
  106   1HA   GLY  18          2HA       GLY  18  13.418 -13.970  26.223
  107   2HA   GLY  18          1HA       GLY  18  13.213 -15.719  26.112
  108    H    GLY  19           H        GLY  19  13.725 -16.223  23.454
  109   1HA   GLY  19          2HA       GLY  19  16.613 -16.005  23.339
  110   2HA   GLY  19          1HA       GLY  19  15.581 -16.714  22.095
  111    H    CYS  20           H        CYS  20  16.407 -13.512  23.453
  112    HA   CYS  20           HA       CYS  20  15.998 -12.309  20.739
  113   1HB   CYS  20          2HB       CYS  20  16.204 -11.107  23.528
  114   2HB   CYS  20          1HB       CYS  20  15.895 -10.184  22.052
  115    H    VAL  21           H        VAL  21  17.857 -12.047  19.584
  116    HA   VAL  21           HA       VAL  21  20.452 -11.801  21.044
  117    HB   VAL  21           HB       VAL  21  19.928 -12.460  18.133
  118   1HG1  VAL  21          1HG1      VAL  21  22.208 -11.802  18.561
  119   2HG1  VAL  21          2HG1      VAL  21  22.190 -13.561  18.425
  120   3HG1  VAL  21          3HG1      VAL  21  22.276 -12.798  20.013
  121   1HG2  VAL  21          1HG2      VAL  21  18.833 -14.233  19.222
  122   2HG2  VAL  21          2HG2      VAL  21  19.926 -14.177  20.606
  123   3HG2  VAL  21          3HG2      VAL  21  20.481 -14.847  19.073
  124    H    GLU  22           H        GLU  22  18.234  -9.853  19.304
  125    HA   GLU  22           HA       GLU  22  20.194  -8.097  18.061
  126   1HB   GLU  22          2HB       GLU  22  17.514  -8.671  17.753
  127   2HB   GLU  22          1HB       GLU  22  17.467  -7.094  18.544
  128   1HG   GLU  22          2HG       GLU  22  18.110  -6.061  16.648
  129   2HG   GLU  22          1HG       GLU  22  19.511  -7.115  16.502
  130    H    GLU  23           H        GLU  23  21.007  -8.281  20.673
  131    HA   GLU  23           HA       GLU  23  19.970  -5.897  22.101
  132   1HB   GLU  23          2HB       GLU  23  20.287  -8.320  23.043
  133   2HB   GLU  23          1HB       GLU  23  21.990  -7.875  23.131
  134   1HG   GLU  23          2HG       GLU  23  21.659  -6.442  24.863
  135   2HG   GLU  23          1HG       GLU  23  20.129  -5.854  24.214
  136    H    GLU  24           H        GLU  24  22.772  -7.120  20.392
  137    HA   GLU  24           HA       GLU  24  24.630  -5.134  21.425
  138   1HB   GLU  24          2HB       GLU  24  26.104  -6.153  19.674
  139   2HB   GLU  24          1HB       GLU  24  25.344  -7.365  20.701
  140   1HG   GLU  24          2HG       GLU  24  23.963  -8.134  19.016
  141   2HG   GLU  24          1HG       GLU  24  23.874  -6.558  18.225
  142    H    ASP  25           H        ASP  25  25.854  -4.461  18.859
  143    HA   ASP  25           HA       ASP  25  24.187  -2.152  18.127
  144   1HB   ASP  25          2HB       ASP  25  26.962  -3.110  17.811
  145   2HB   ASP  25          1HB       ASP  25  26.357  -2.216  16.418
  146    H    GLY  26           H        GLY  26  25.540  -4.995  16.392
  147   1HA   GLY  26          2HA       GLY  26  23.542  -5.996  14.950
  148   2HA   GLY  26          1HA       GLY  26  23.695  -4.448  14.122
  149    H    GLY  27           H        GLY  27  26.217  -6.671  15.384
  150   1HA   GLY  27          2HA       GLY  27  28.008  -7.717  14.272
  151   2HA   GLY  27          1HA       GLY  27  27.021  -7.674  12.809
  152    H    SER  28           H        SER  28  28.274  -6.746  11.245
  153    HA   SER  28           HA       SER  28  29.365  -4.024  11.755
  154   1HB   SER  28          2HB       SER  28  30.914  -6.295  11.970
  155   2HB   SER  28          1HB       SER  28  31.167  -5.838  10.287
  156    HG   SER  28           HG       SER  28  31.734  -3.746  11.027
  157    HA   PRO  29           HA       PRO  29  27.377  -4.645   7.592
  158   1HB   PRO  29          2HB       PRO  29  25.667  -2.509   7.758
  159   2HB   PRO  29          1HB       PRO  29  25.261  -4.127   8.363
  160   1HG   PRO  29          2HG       PRO  29  26.142  -1.717   9.860
  161   2HG   PRO  29          1HG       PRO  29  24.976  -2.970  10.314
  162   1HD   PRO  29          2HD       PRO  29  27.548  -2.839  11.263
  163   2HD   PRO  29          1HD       PRO  29  26.588  -4.331  11.182
  164    H    ALA  30           H        ALA  30  29.736  -3.863   7.195
  165    HA   ALA  30           HA       ALA  30  30.057  -0.957   6.841
  166   1HB   ALA  30          1HB       ALA  30  31.807  -2.496   7.791
  167   2HB   ALA  30          2HB       ALA  30  32.368  -1.571   6.396
  168   3HB   ALA  30          3HB       ALA  30  31.916  -3.266   6.210
  169    H    GLU  31           H        GLU  31  28.127  -1.304   5.143
  170    HA   GLU  31           HA       GLU  31  29.377  -1.249   2.487
  171   1HB   GLU  31          2HB       GLU  31  28.833  -3.629   2.934
  172   2HB   GLU  31          1HB       GLU  31  27.153  -3.179   3.218
  173   1HG   GLU  31          2HG       GLU  31  27.054  -3.814   0.982
  174   2HG   GLU  31          1HG       GLU  31  27.357  -2.089   0.814
  175    H    GLY  32           H        GLY  32  26.033  -1.585   3.707
  176   1HA   GLY  32          2HA       GLY  32  24.705   0.582   3.929
  177   2HA   GLY  32          1HA       GLY  32  25.396   1.017   2.364
  178    H    CYS  33           H        CYS  33  23.180  -1.224   3.985
  179    HA   CYS  33           HA       CYS  33  22.187  -2.201   1.357
  180   1HB   CYS  33          2HB       CYS  33  22.605  -3.380   3.811
  181   2HB   CYS  33          1HB       CYS  33  20.873  -3.058   3.868
  182    H    ALA  34           H        ALA  34  20.703  -0.855   0.414
  183    HA   ALA  34           HA       ALA  34  18.766   0.618   2.164
  184   1HB   ALA  34          1HB       ALA  34  19.686   1.019  -0.705
  185   2HB   ALA  34          2HB       ALA  34  20.184   1.975   0.692
  186   3HB   ALA  34          3HB       ALA  34  18.515   2.043   0.128
  187    H    GLU  35           H        GLU  35  18.954  -1.270  -0.870
  188    HA   GLU  35           HA       GLU  35  16.041  -1.520  -1.109
  189   1HB   GLU  35          2HB       GLU  35  18.305  -2.977  -2.518
  190   2HB   GLU  35          1HB       GLU  35  16.636  -2.847  -3.077
  191   1HG   GLU  35          2HG       GLU  35  17.027  -0.272  -2.939
  192   2HG   GLU  35          1HG       GLU  35  18.741  -0.691  -2.927
  193    H    ALA  36           H        ALA  36  15.326  -3.991  -1.559
  194    HA   ALA  36           HA       ALA  36  15.607  -5.349   1.021
  195   1HB   ALA  36          1HB       ALA  36  13.578  -5.150  -0.619
  196   2HB   ALA  36          2HB       ALA  36  13.842  -6.689   0.200
  197   3HB   ALA  36          3HB       ALA  36  14.349  -6.484  -1.476
  198    H    GLU  37           H        GLU  37  16.736  -5.907  -2.302
  199    HA   GLU  37           HA       GLU  37  18.470  -8.116  -1.282
  200   1HB   GLU  37          2HB       GLU  37  16.461  -8.363  -3.043
  201   2HB   GLU  37          1HB       GLU  37  17.733  -7.874  -4.166
  202   1HG   GLU  37          2HG       GLU  37  19.075  -9.751  -3.645
  203   2HG   GLU  37          1HG       GLU  37  18.201 -10.067  -2.149
  204    H    GLY  38           H        GLY  38  19.120  -5.227  -1.335
  205   1HA   GLY  38          2HA       GLY  38  20.938  -4.855  -3.620
  206   2HA   GLY  38          1HA       GLY  38  20.677  -3.706  -2.302
  207    H    CYS  39           H        CYS  39  21.178  -6.402  -0.583
  208    HA   CYS  39           HA       CYS  39  23.982  -5.717  -0.058
  209   1HB   CYS  39          2HB       CYS  39  21.826  -7.429   1.088
  210   2HB   CYS  39          1HB       CYS  39  23.482  -7.950   1.409
  211    H    LEU  40           H        LEU  40  24.565  -6.304  -2.401
  212    HA   LEU  40           HA       LEU  40  24.584  -9.082  -3.218
  213   1HB   LEU  40          2HB       LEU  40  25.283  -6.442  -4.235
  214   2HB   LEU  40          1HB       LEU  40  26.496  -7.636  -4.687
  215    HG   LEU  40           HG       LEU  40  24.680  -7.468  -6.375
  216   1HD1  LEU  40          1HD1      LEU  40  24.250  -9.851  -6.578
  217   2HD1  LEU  40          2HD1      LEU  40  24.608 -10.100  -4.868
  218   3HD1  LEU  40          3HD1      LEU  40  25.891  -9.620  -5.979
  219   1HD2  LEU  40          1HD2      LEU  40  22.531  -7.319  -5.738
  220   2HD2  LEU  40          2HD2      LEU  40  23.049  -7.401  -4.056
  221   3HD2  LEU  40          3HD2      LEU  40  22.635  -8.879  -4.923
  222    H    ARG  41           H        ARG  41  27.152  -9.475  -4.185
  223    HA   ARG  41           HA       ARG  41  29.328 -10.167  -3.592
  224   1HB   ARG  41          2HB       ARG  41  29.103  -8.468  -1.113
  225   2HB   ARG  41          1HB       ARG  41  30.522  -8.787  -2.111
  226   1HG   ARG  41          2HG       ARG  41  28.174  -7.332  -3.307
  227   2HG   ARG  41          1HG       ARG  41  29.301  -6.459  -2.277
  228   1HD   ARG  41          2HD       ARG  41  31.088  -7.712  -3.873
  229   2HD   ARG  41          1HD       ARG  41  29.717  -7.592  -5.000
  230    HE   ARG  41           HE       ARG  41  30.330  -5.134  -3.462
  231   1HH1  ARG  41          1HH2      ARG  41  30.750  -6.939  -6.404
  232   2HH1  ARG  41          2HH2      ARG  41  31.099  -5.542  -7.356
  233   1HH2  ARG  41          1HH1      ARG  41  30.775  -3.314  -4.716
  234   2HH2  ARG  41          2HH1      ARG  41  31.105  -3.486  -6.404
  235    H    ARG  42           H        ARG  42  26.623 -10.837  -1.669
  236    HA   ARG  42           HA       ARG  42  26.149 -12.476  -0.080
  237   1HB   ARG  42          2HB       ARG  42  27.910 -13.478  -1.998
  238   2HB   ARG  42          1HB       ARG  42  28.613 -13.993  -0.465
  239   1HG   ARG  42          2HG       ARG  42  26.340 -14.855   0.200
  240   2HG   ARG  42          1HG       ARG  42  25.789 -14.486  -1.437
  241   1HD   ARG  42          2HD       ARG  42  27.757 -15.967  -2.251
  242   2HD   ARG  42          1HD       ARG  42  27.835 -16.554  -0.577
  243    HE   ARG  42           HE       ARG  42  25.678 -17.552  -0.838
  244   1HH1  ARG  42          1HH2      ARG  42  26.546 -15.562  -3.566
  245   2HH1  ARG  42          2HH2      ARG  42  25.242 -16.124  -4.549
  246   1HH2  ARG  42          1HH1      ARG  42  23.971 -18.276  -2.120
  247   2HH2  ARG  42          2HH1      ARG  42  23.776 -17.666  -3.729
  248    H    GLU  43           H        GLU  43  28.030 -10.127   0.666
  249    HA   GLU  43           HA       GLU  43  29.647 -11.329   2.813
  250   1HB   GLU  43          2HB       GLU  43  29.205  -8.540   1.724
  251   2HB   GLU  43          1HB       GLU  43  30.221  -8.853   3.129
  252   1HG   GLU  43          2HG       GLU  43  30.619 -10.112   0.397
  253   2HG   GLU  43          1HG       GLU  43  31.544  -8.746   1.024
  254    H    GLY  44           H        GLY  44  28.087 -12.102   4.315
  255   1HA   GLY  44          2HA       GLY  44  26.788 -10.013   5.942
  256   2HA   GLY  44          1HA       GLY  44  25.685 -11.140   5.144
  257    H    GLN  45           HN       GLN  45  28.603 -11.136   7.204
  258    HA   GLN  45           HA       GLN  45  27.422 -13.407   8.753
  259   1HB   GLN  45          2HB       GLN  45  29.620 -14.567   8.598
  260   2HB   GLN  45          1HB       GLN  45  28.922 -14.312   7.000
  261   1HG   GLN  45          2HG       GLN  45  30.642 -12.983   6.361
  262   2HG   GLN  45          1HG       GLN  45  30.573 -12.053   7.860
  263   1HE2  GLN  45          1HE2      GLN  45  31.149 -13.949   9.807
  264   2HE2  GLN  45          2HE2      GLN  45  32.696 -14.601   9.544