*HEADER    TOXIN                                   19-OCT-00   1G2G              
*TITLE     MINIMAL CONFORMATION OF THE ALPHA-CONOTOXIN IMI FOR THE               
*TITLE    2 ALPHA7 NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR RECOGNITION         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN IMI;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SOLID PHASE SYNTHESIS OF ALPHA-                   
*SOURCE   4 CONOTOXIN IMI WAS CARRIED OUT USING THE F-MOC CHEMISTRY.             
*SOURCE   5 THE SEQUENCE OF THE PROTEIN IS NATURALLY FOUND IN THE                
*SOURCE   6 VENOM OF CONUS IMPERIALIS (IMPERIAL CONE).                           
*KEYWDS    ALPHA-HELIX, 3-10 HELIX                                               
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    H.LAMTHANH, C.JEGOU-MATHERON, D.SERVENT, A.MENEZ,                     
*AUTHOR   2 J.M.LANCELIN                                                         
*REVDAT   1   08-NOV-00 1G2G    0                                                
remarks   NOE restraints for aImI
remarks   data from noesy spectrum 150 ms mixing time at 278 K
remarks   r0    dlow    dhigh   for N-H
remarks   2.1   0.3     0.9     1.8 - 3.0  noe fort
remarks   2.4   0.6     1.2     1.8 - 3.6  noe moyen
remarks   2.9   1.1     2.4     1.8 - 5.3  noe faible
remarks   3.5   1.7     2.8     1.8 - 6.3  noe tres faible
remarks   r0    dlow    dhigh   for C-H
remarks   2.1   0.3     0.6     1.8 - 2.7  noe fort                            
remarks   2.4   0.6     0.9     1.8 - 3.3  noe moyen
remarks   2.9   1.1     2.1     1.8 - 5.0  noe faible
remarks   3.5   1.7     2.5     1.8 - 6.0  noe tres faible 
remarks   1.0  added for noe involving CH3 - 2.0 added for two noe involving CH3 
remarks   1.0  added for noe involving CH2
remarks   2.0  added for noe involving aromatics H 
remarks   nombre de NOE = nombre de lignes - 342

remarks  NOE restraints for Gly 1 
assign  (resid 1 and name ha1 )    (resid 2  and name hn  ) 2.9 1.1 2.1
assign  (resid 1 and name ha2 )    (resid 2  and name hn  ) 2.9 1.1 2.1
assign  (resid 1 and name ha1 )    (resid 3  and name hn  ) 2.9 1.1 2.1
assign  (resid 1 and name ha2 )    (resid 3  and name hn  ) 2.9 1.1 2.1
remarks  medium (i+2 to i+4)  NOE restraints

remarks  NOE restraints for Cys 2
remarks  sequential (i,i+1)   NOE restraints
assign  (resid 2  and name ha )    (resid 3  and name hn  ) 2.4 0.6 1.2
assign  (resid 2  and name hn )    (resid 3  and name hn  ) 3.5 1.7 2.8
assign  (resid 2  and name hb1)    (resid 3  and name hn  ) 2.4 0.6 1.1
assign  (resid 2  and name hb2)    (resid 3  and name hn  ) 2.4 0.6 1.1
remarks  medium (i+2 to i+4)  NOE restraints
assign  (resid 2  and name ha)     (resid 5  and name hb* ) 2.9 1.1 3.1
remarks  long (> i+4)         NOE restraints
assign  (resid 2  and name ha)     (resid 8 and name hn ) 3.5 1.7 2.8



remarks  NOE restraints for Cys3
remarks  sequential (i,i+1)   NOE restraints
assign  (resid 3  and name hn )    (resid 4  and name hn  ) 2.4 0.6 1.2
assign  (resid 3  and name ha )    (resid 4  and name hn  ) 2.9 1.1 2.4
assign  (resid 3  and name hb1)    (resid 4  and name hn  ) 2.9 1.1 2.1
assign  (resid 3  and name hb2)    (resid 4  and name hn  ) 2.9 1.1 2.1
remarks  medium (i+2 to i+4)  NOE restraints
remarks  long (> i+4)         NOE restraints
assign  (resid 3  and name hb1 )    (resid 9 and name ha   ) 3.5 1.7 2.5
assign  (resid 3  and name hb2 )    (resid 9 and name ha   ) 3.5 1.7 2.5
assign  (resid 3  and name ha  )    (resid 9 and name ha   ) 2.1 0.3 0.6
assign  (resid 3  and name hn  )    (resid 9 and name ha   ) 3.5 1.7 2.8
assign  (resid 3  and name hn  )    (resid 9 and name hb*  ) 3.5 1.7 3.8


remarks  NOE restraints for Ser 4
remarks  sequential (i,i+1)   NOE restraints
remarks  medium (i+2 to i+4)  NOE restraints
remarks  long (> i+4)         NOE restraints

remarks  NOE restraints for Asp 5
remarks  sequential (i,i+1)   NOE restraints
assign  (resid 5 and name ha   )    (resid 6  and name hd* ) 2.1 0.3 1.6
assign  (resid 5 and name ha   )    (resid 6  and name hg* ) 2.9 1.1 3.1
assign  (resid 5 and name hb1  )    (resid 6  and name hd* ) 3.5 1.7 3.5
assign  (resid 5 and name hb2  )    (resid 6  and name hd* ) 2.4 0.6 1.9
remarks  medium (i+2 to i+4)  NOE restraints
assign  (resid 5 and name ha   )    (resid 7  and name hn  ) 2.9 1.1 2.4
assign  (resid 5 and name hb2  )    (resid 7  and name hn  ) 2.9 1.1 2.4
assign  (resid 5 and name hb1  )    (resid 7  and name hn  ) 2.9 1.1 2.4
assign  (resid 5 and name hb1  )    (resid 8  and name hn  ) 2.9 1.1 2.4
assign  (resid 5 and name hb2  )    (resid 8  and name hn  ) 2.9 1.1 2.4
assign  (resid 5 and name ha   )    (resid 8  and name hn  ) 3.5 1.7 2.8
assign  (resid 5 and name hb1  )    (resid 8  and name hb* ) 3.5 1.7 2.5
assign  (resid 5 and name hb2  )    (resid 8  and name hb* ) 3.5 1.7 2.5
assign  (resid 5 and name hb1  )    (resid 9  and name hn  ) 2.9 1.1 2.4
assign  (resid 5 and name hb2  )    (resid 9  and name hn  ) 3.5 1.7 2.8
remarks  long (> i+4)         NOE restraints

remarks  NOE restraints for Pro 6
remarks  sequential (i,i+1)   NOE restraints
assign  (resid 6  and name hd*)      (resid 7  and name hg*) 3.5 1.7 4.5
assign  (resid 6  and name hd*)      (resid 7  and name hn ) 2.4 0.6 2.2
assign  (resid 6  and name hd*)      (resid 7  and name hb*) 3.5 1.7 4.5
assign  (resid 6  and name hg*)      (resid 7  and name hn ) 3.5 1.7 3.8
assign  (resid 6  and name hb1)      (resid 7  and name hn ) 2.9 1.1 2.1
assign  (resid 6  and name hb2)      (resid 7  and name hn ) 2.9 1.1 2.1
remarks  medium (i+2 to i+4)  NOE restraints
assign  (resid 6  and name ha)     (resid 9  and name hb* ) 2.4 0.6 1.9
assign  (resid 6  and name hg*)    (resid 8  and name hn )  3.5 1.7 3.8
assign  (resid 6  and name hb1)    (resid 8  and name hn )  3.5 1.7 2.8
assign  (resid 6  and name hb2)    (resid 8  and name hn )  3.5 1.7 2.8
remarks  long (> i+4)         NOE restraints

remarks  NOE restraints for Arg 7
remarks  sequential (i,i+1)   NOE restraints
assign  (resid 7  and name ha  )   (resid 8  and name hn  ) 2.4 0.6 1.2 
assign  (resid 7  and name hb1 )   (resid 8  and name hn  ) 2.9 1.1 2.4
assign  (resid 7  and name hb2 )   (resid 8  and name hn  ) 2.9 1.1 2.4
assign  (resid 7  and name hg* )   (resid 8  and name hn  ) 2.9 1.1 3.4
assign  (resid 7  and name hn )    (resid 8  and name hn  ) 2.1 0.3 0.9
assign  (resid 7  and name he )    (resid 8  and name hn  ) 2.9 1.1 2.4
assign  (resid 7  and name hn )    (resid 8  and name hb1 ) 2.9 1.1 2.1
assign  (resid 7  and name hn )    (resid 8  and name hb2 ) 2.9 1.1 2.1
remarks  medium (i+2 to i+4)  NOE restraints
assign  (resid 7 and name ha   )   (resid 10 and name hd1 ) 2.9 1.1 2.1
remarks  long (> i+4)         NOE restraints

remarks  NOE restraints for Cys 8
remarks  sequential (i,i+1)   NOE restraints
assign  (resid 8  and name ha  )   (resid 9  and name hn  ) 2.4 0.6 1.2
assign  (resid 8  and name hn  )   (resid 9  and name hn  ) 2.4 0.6 1.2
assign  (resid 8  and name hn  )   (resid 9  and name ha  ) 3.5 1.7 2.8
assign  (resid 8  and name hn  )   (resid 9  and name hb* ) 2.9 1.1 3.4
assign  (resid 8  and name hb1 )   (resid 9  and name hn  ) 2.9 1.1 2.4
assign  (resid 8  and name hb2 )   (resid 9  and name hn  ) 2.9 1.1 2.4
remarks  medium (i+2 to i+4)  NOE restraints
remarks  long (> i+4)         NOE restraints

remarks  NOE restraints for Ala 9
remarks  sequential (i,i+1)   NOE restraints
assign  (resid 9  and name ha  )   (resid 10 and name hn  ) 2.4 0.6 1.2
assign  (resid 9  and name hn  )   (resid 10 and name hn  ) 2.9 1.1 2.4
assign  (resid 9  and name hb* )   (resid 10 and name hn  ) 2.4 0.6 2.2
assign  (resid 9  and name hb* )   (resid 10 and name hd1 ) 3.5 1.7 3.5
assign  (resid 9  and name ha )    (resid 10 and name hd1 ) 3.5 1.7 2.5 
remarks  medium (i+2 to i+4)  NOE restraints
assign  (resid 9  and name ha  )   (resid 11 and name hn  ) 2.9 1.1 2.4
assign  (resid 9  and name hb*  )  (resid 11 and name hn  ) 3.5 1.7 3.8
remarks  long (> i+4)         NOE restraints


remarks  NOE restraints for Try 10
remarks intra-residu
assign  (resid 10 and name hb*  )   (resid 10 and name hd1 ) 2.1 0.3 1.6
assign  (resid 10 and name hb*  )   (resid 10 and name he3 ) 2.1 0.3 1.6
assign  (resid 10 and name ha  )    (resid 10 and name he3 ) 2.9 1.1 2.1
assign  (resid 10 and name ha  )    (resid 10 and name hd1 ) 2.9 1.1 2.1
assign  (resid 10 and name hb*  )   (resid 10 and name hz3 ) 3.5 1.7 3.5
remarks  sequential (i,i+1)   NOE restraints
assign  (resid 10 and name hn  )   (resid 11 and name hn  ) 2.9 1.1 2.4
assign  (resid 10 and name ha  )   (resid 11 and name hn  ) 2.4 0.6 1.2
assign  (resid 10 and name hb1 )   (resid 11 and name hn  ) 2.9 1.1 2.4
assign  (resid 10 and name hb2 )   (resid 11 and name hn  ) 2.9 1.1 2.4
assign  (resid 10 and name hd1 )   (resid 11 and name ha  ) 3.5 1.7 2.5
assign  (resid 10 and name hd1 )   (resid 11 and name hb* ) 3.5 1.7 3.5
assign  (resid 10 and name hz2 )   (resid 11 and name hb*)  3.5 1.7 3.5
assign  (resid 10 and name hd1 )   (resid 11 and name hg* ) 3.5 1.7 3.5
assign  (resid 10 and name hz2 )   (resid 11 and name hg*)  3.5 1.7 3.5
remarks  medium (i+2 to i+4)  NOE restraints
remarks  long (> i+4)         NOE restraints

remarks  NOE restraints for Arg 11
remarks  sequential (i,i+1)   NOE restraints 
assign  (resid 11 and name hn  )   (resid 12 and name hn  ) 2.9 1.1 2.4
assign  (resid 11 and name ha  )   (resid 12 and name hn  ) 2.4 0.6 1.2
assign  (resid 11 and name hb* )   (resid 12 and name hn  ) 2.4 0.6 2.2
assign  (resid 11 and name hg* )   (resid 12 and name hn  ) 3.5 1.7 3.8
assign  (resid 11 and name hn  )   (resid 12 and name ha )  3.5 1.7 2.8
remarks  medium (i+2 to i+4)  NOE restraints
remarks  long (> i+4)         NOE restraints

remarks  NOE restraints for CYS 12
remarks  sequential (i,i+1)   NOE restraints
remarks  medium (i+2 to i+4)  NOE restraints
remarks  long (> i+4)         NOE restraints


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          HT1       GLY   1  -3.926   5.666  -4.553
    2   2H    GLY   1          HT2       GLY   1  -5.431   5.693  -5.343
    3   3H    GLY   1          HT3       GLY   1  -4.340   4.418  -5.626
    4   1HA   GLY   1          HA2       GLY   1  -5.621   5.031  -3.054
    5   2HA   GLY   1          HA1       GLY   1  -6.098   3.716  -4.211
    6    H    CYS   2           HN       CYS   2  -4.941   3.768  -1.294
    7    HA   CYS   2           HA       CYS   2  -2.317   2.864  -1.444
    8   1HB   CYS   2          HB2       CYS   2  -3.492   3.666   0.678
    9   2HB   CYS   2          HB1       CYS   2  -4.382   2.140   0.740
   10    H    CYS   3           HN       CYS   3  -5.360   1.117  -0.968
   11    HA   CYS   3           HA       CYS   3  -4.261  -1.441  -1.001
   12   1HB   CYS   3          HB2       CYS   3  -7.122  -0.722  -1.827
   13   2HB   CYS   3          HB1       CYS   3  -6.551  -2.291  -1.172
   14    H    SER   4           HN       SER   4  -4.909   0.721  -3.638
   15    HA   SER   4           HA       SER   4  -5.078  -1.325  -5.631
   16   1HB   SER   4          HB2       SER   4  -4.571   1.686  -6.055
   17   2HB   SER   4          HB1       SER   4  -5.301   0.500  -7.203
   18    HG   SER   4           HG       SER   4  -6.912   1.693  -6.251
   19    H    ASP   5           HN       ASP   5  -2.665   1.184  -4.521
   20    HA   ASP   5           HA       ASP   5  -0.912   0.497  -6.632
   21   1HB   ASP   5          HB2       ASP   5  -1.025   2.778  -5.815
   22   2HB   ASP   5          HB1       ASP   5  -0.478   2.267  -4.175
   23    HA   PRO   6           HA       PRO   6   0.568  -2.997  -4.414
   24   1HB   PRO   6          HB2       PRO   6   3.147  -2.600  -6.066
   25   2HB   PRO   6          HB1       PRO   6   2.269  -4.152  -5.748
   26   1HG   PRO   6          HG1       PRO   6   1.915  -2.833  -8.124
   27   2HG   PRO   6          HG2       PRO   6   0.480  -3.520  -7.254
   28   1HD   PRO   6          HD1       PRO   6   1.388  -0.592  -7.358
   29   2HD   PRO   6          HD2       PRO   6  -0.283  -1.319  -7.353
   30    H    ARG   7           HN       ARG   7   2.656  -0.159  -4.486
   31    HA   ARG   7           HA       ARG   7   4.521  -1.193  -2.570
   32   1HB   ARG   7          HB2       ARG   7   4.072   1.693  -3.519
   33   2HB   ARG   7          HB1       ARG   7   5.510   1.086  -2.632
   34   1HG   ARG   7          HG2       ARG   7   6.104  -0.398  -4.536
   35   2HG   ARG   7          HG1       ARG   7   4.669   0.152  -5.463
   36   1HD   ARG   7          HD2       ARG   7   6.992   1.968  -4.528
   37   2HD   ARG   7          HD1       ARG   7   6.764   1.336  -6.205
   38    HE   ARG   7           HE       ARG   7   4.966   3.287  -4.737
   39   1HH1  ARG   7          HH21      ARG   7   5.799   1.636  -7.810
   40   2HH1  ARG   7          HH22      ARG   7   4.780   2.654  -8.771
   41   1HH2  ARG   7          HH11      ARG   7   3.666   4.664  -6.064
   42   2HH2  ARG   7          HH12      ARG   7   3.554   4.388  -7.769
   43    H    CYS   8           HN       CYS   8   1.400   0.100  -2.401
   44    HA   CYS   8           HA       CYS   8   1.786   0.852   0.433
   45   1HB   CYS   8          HB2       CYS   8   0.976   2.654  -1.201
   46   2HB   CYS   8          HB1       CYS   8  -0.504   1.696  -1.427
   47    H    ALA   9           HN       ALA   9  -0.056  -1.027  -2.012
   48    HA   ALA   9           HA       ALA   9  -2.123  -1.848  -0.658
   49   1HB   ALA   9          HB1       ALA   9  -0.528  -3.648  -2.568
   50   2HB   ALA   9          HB2       ALA   9  -1.721  -2.383  -3.060
   51   3HB   ALA   9          HB3       ALA   9  -2.275  -3.825  -2.152
   52    H    TRP  10           HN       TRP  10   1.090  -3.173  -0.054
   53    HA   TRP  10           HA       TRP  10   0.232  -5.515   1.271
   54   1HB   TRP  10          HB2       TRP  10   2.533  -5.581   2.255
   55   2HB   TRP  10          HB1       TRP  10   2.538  -5.363   0.476
   56    HD1  TRP  10           HD1      TRP  10   3.032  -2.697  -0.383
   57    HE1  TRP  10           HE1      TRP  10   4.351  -0.826   0.666
   58    HE3  TRP  10           HE3      TRP  10   3.392  -4.668   4.297
   59    HZ2  TRP  10           HZ2      TRP  10   5.697  -0.360   3.211
   60    HZ3  TRP  10           HZ3      TRP  10   4.683  -3.451   6.021
   61    HH2  TRP  10           HH2      TRP  10   5.821  -1.326   5.484
   62    H    ARG  11           HN       ARG  11   0.337  -2.126   2.232
   63    HA   ARG  11           HA       ARG  11   0.431  -2.675   5.049
   64   1HB   ARG  11          HB2       ARG  11  -0.424  -0.093   3.592
   65   2HB   ARG  11          HB1       ARG  11   0.089  -0.233   5.308
   66   1HG   ARG  11          HG2       ARG  11   2.418  -0.755   4.568
   67   2HG   ARG  11          HG1       ARG  11   1.874  -0.816   2.857
   68   1HD   ARG  11          HD2       ARG  11   1.111   1.634   3.090
   69   2HD   ARG  11          HD1       ARG  11   2.030   1.684   4.658
   70    HE   ARG  11           HE       ARG  11   3.748   0.573   2.648
   71   1HH1  ARG  11          HH21      ARG  11   2.096   3.674   3.326
   72   2HH1  ARG  11          HH22      ARG  11   3.229   4.627   2.429
   73   1HH2  ARG  11          HH11      ARG  11   5.242   1.871   1.427
   74   2HH2  ARG  11          HH12      ARG  11   5.058   3.591   1.351
   75    H    CYS  12           HN       CYS  12  -1.848  -2.268   2.455
   76    HA   CYS  12           HA       CYS  12  -4.165  -1.863   4.139
   77   1HB   CYS  12          HB2       CYS  12  -4.083  -0.793   1.899
   78   2HB   CYS  12          HB1       CYS  12  -3.862  -2.393   1.124
   79   1HN   NH2  13          H1        NH2  13  -3.650  -5.755   2.732
   80   2HN   NH2  13          H2        NH2  13  -2.881  -4.440   1.886
  Start of MODEL    2
    1   1H    GLY   1          HT1       GLY   1  -9.073   2.422  -3.901
    2   2H    GLY   1          HT2       GLY   1  -7.900   2.105  -2.712
    3   3H    GLY   1          HT3       GLY   1  -7.621   1.641  -4.320
    4   1HA   GLY   1          HA2       GLY   1  -7.588   3.892  -5.019
    5   2HA   GLY   1          HA1       GLY   1  -7.841   4.391  -3.291
    6    H    CYS   2           HN       CYS   2  -6.121   3.990  -1.755
    7    HA   CYS   2           HA       CYS   2  -3.513   4.237  -2.775
    8   1HB   CYS   2          HB2       CYS   2  -4.325   4.988  -0.467
    9   2HB   CYS   2          HB1       CYS   2  -4.362   3.292   0.057
   10    H    CYS   3           HN       CYS   3  -5.292   1.659  -1.171
   11    HA   CYS   3           HA       CYS   3  -3.356  -0.290  -1.153
   12   1HB   CYS   3          HB2       CYS   3  -6.399  -0.719  -1.278
   13   2HB   CYS   3          HB1       CYS   3  -5.192  -1.860  -0.609
   14    H    SER   4           HN       SER   4  -4.882   0.884  -3.963
   15    HA   SER   4           HA       SER   4  -4.891  -1.560  -5.439
   16   1HB   SER   4          HB2       SER   4  -4.733   1.351  -6.463
   17   2HB   SER   4          HB1       SER   4  -5.304  -0.101  -7.375
   18    HG   SER   4           HG       SER   4  -6.958   1.253  -6.530
   19    H    ASP   5           HN       ASP   5  -2.549   0.922  -4.407
   20    HA   ASP   5           HA       ASP   5  -0.787   0.391  -6.616
   21   1HB   ASP   5          HB2       ASP   5  -0.970   2.696  -5.705
   22   2HB   ASP   5          HB1       ASP   5  -0.376   2.120  -4.108
   23    HA   PRO   6           HA       PRO   6   0.607  -3.090  -4.385
   24   1HB   PRO   6          HB2       PRO   6   3.374  -2.563  -5.648
   25   2HB   PRO   6          HB1       PRO   6   2.490  -4.138  -5.543
   26   1HG   PRO   6          HG1       PRO   6   2.432  -2.701  -7.872
   27   2HG   PRO   6          HG2       PRO   6   0.901  -3.437  -7.235
   28   1HD   PRO   6          HD1       PRO   6   1.790  -0.509  -7.042
   29   2HD   PRO   6          HD2       PRO   6   0.146  -1.237  -7.343
   30    H    ARG   7           HN       ARG   7   2.590  -0.208  -4.100
   31    HA   ARG   7           HA       ARG   7   4.246  -1.172  -1.992
   32   1HB   ARG   7          HB2       ARG   7   3.678   1.714  -2.898
   33   2HB   ARG   7          HB1       ARG   7   5.031   1.191  -1.841
   34   1HG   ARG   7          HG2       ARG   7   6.029  -0.134  -3.659
   35   2HG   ARG   7          HG1       ARG   7   4.669   0.237  -4.766
   36   1HD   ARG   7          HD2       ARG   7   6.587   2.354  -3.569
   37   2HD   ARG   7          HD1       ARG   7   6.700   1.647  -5.242
   38    HE   ARG   7           HE       ARG   7   4.049   2.585  -4.991
   39   1HH1  ARG   7          HH21      ARG   7   7.322   4.022  -4.836
   40   2HH1  ARG   7          HH22      ARG   7   6.803   5.586  -5.365
   41   1HH2  ARG   7          HH11      ARG   7   3.385   4.668  -5.757
   42   2HH2  ARG   7          HH12      ARG   7   4.536   5.949  -5.926
   43    H    CYS   8           HN       CYS   8   1.039   0.019  -2.210
   44    HA   CYS   8           HA       CYS   8   0.994   0.806   0.631
   45   1HB   CYS   8          HB2       CYS   8   0.091   2.382  -1.194
   46   2HB   CYS   8          HB1       CYS   8  -1.153   1.147  -1.524
   47    H    ALA   9           HN       ALA   9  -0.402  -1.295  -1.927
   48    HA   ALA   9           HA       ALA   9  -2.367  -2.583  -0.732
   49   1HB   ALA   9          HB1       ALA   9  -1.664  -3.014  -3.080
   50   2HB   ALA   9          HB2       ALA   9  -1.867  -4.559  -2.187
   51   3HB   ALA   9          HB3       ALA   9  -0.213  -3.906  -2.483
   52    H    TRP  10           HN       TRP  10   1.087  -3.525  -0.288
   53    HA   TRP  10           HA       TRP  10   0.378  -5.819   1.208
   54   1HB   TRP  10          HB2       TRP  10   2.696  -6.160   1.721
   55   2HB   TRP  10          HB1       TRP  10   2.552  -5.673   0.004
   56    HD1  TRP  10           HD1      TRP  10   2.921  -2.657  -0.132
   57    HE1  TRP  10           HE1      TRP  10   4.740  -1.313   0.979
   58    HE3  TRP  10           HE3      TRP  10   4.412  -6.162   3.260
   59    HZ2  TRP  10           HZ2      TRP  10   6.823  -1.788   2.955
   60    HZ3  TRP  10           HZ3      TRP  10   6.334  -5.669   4.734
   61    HH2  TRP  10           HH2      TRP  10   7.519  -3.511   4.588
   62    H    ARG  11           HN       ARG  11   0.583  -2.454   2.091
   63    HA   ARG  11           HA       ARG  11   1.002  -3.037   4.910
   64   1HB   ARG  11          HB2       ARG  11   0.303  -0.397   3.473
   65   2HB   ARG  11          HB1       ARG  11   0.668  -0.562   5.220
   66   1HG   ARG  11          HG2       ARG  11   2.616  -1.173   2.903
   67   2HG   ARG  11          HG1       ARG  11   2.580   0.341   3.859
   68   1HD   ARG  11          HD2       ARG  11   3.241  -2.483   4.981
   69   2HD   ARG  11          HD1       ARG  11   4.410  -1.167   4.599
   70    HE   ARG  11           HE       ARG  11   3.435   0.227   6.357
   71   1HH1  ARG  11          HH21      ARG  11   2.379  -3.200   6.486
   72   2HH1  ARG  11          HH22      ARG  11   1.986  -3.134   8.169
   73   1HH2  ARG  11          HH11      ARG  11   2.955   0.250   8.618
   74   2HH2  ARG  11          HH12      ARG  11   2.309  -1.157   9.387
   75    H    CYS  12           HN       CYS  12  -1.508  -2.076   2.556
   76    HA   CYS  12           HA       CYS  12  -3.597  -1.854   4.436
   77   1HB   CYS  12          HB2       CYS  12  -3.802  -2.781   1.509
   78   2HB   CYS  12          HB1       CYS  12  -5.164  -2.266   2.554
   79   1HN   NH2  13          H1        NH2  13  -3.310  -5.852   3.297
   80   2HN   NH2  13          H2        NH2  13  -2.528  -4.631   2.334
  Start of MODEL    3
    1   1H    GLY   1          HT1       GLY   1  -8.250   5.705  -4.885
    2   2H    GLY   1          HT2       GLY   1  -6.617   5.683  -5.362
    3   3H    GLY   1          HT3       GLY   1  -7.036   6.183  -3.794
    4   1HA   GLY   1          HA2       GLY   1  -7.765   4.039  -3.214
    5   2HA   GLY   1          HA1       GLY   1  -7.435   3.495  -4.914
    6    H    CYS   2           HN       CYS   2  -6.131   3.788  -1.743
    7    HA   CYS   2           HA       CYS   2  -3.421   4.203  -2.513
    8   1HB   CYS   2          HB2       CYS   2  -4.463   4.713  -0.204
    9   2HB   CYS   2          HB1       CYS   2  -4.420   2.973   0.150
   10    H    CYS   3           HN       CYS   3  -5.306   1.448  -1.251
   11    HA   CYS   3           HA       CYS   3  -3.250  -0.402  -1.413
   12   1HB   CYS   3          HB2       CYS   3  -6.252  -1.041  -1.448
   13   2HB   CYS   3          HB1       CYS   3  -4.928  -2.081  -0.835
   14    H    SER   4           HN       SER   4  -4.912   0.956  -3.996
   15    HA   SER   4           HA       SER   4  -4.956  -1.282  -5.756
   16   1HB   SER   4          HB2       SER   4  -4.909   1.734  -6.410
   17   2HB   SER   4          HB1       SER   4  -5.551   0.394  -7.441
   18    HG   SER   4           HG       SER   4  -7.201   1.480  -6.361
   19    H    ASP   5           HN       ASP   5  -2.534   0.861  -4.412
   20    HA   ASP   5           HA       ASP   5  -0.746   0.449  -6.667
   21   1HB   ASP   5          HB2       ASP   5  -0.854   2.738  -5.735
   22   2HB   ASP   5          HB1       ASP   5  -0.374   2.117  -4.112
   23    HA   PRO   6           HA       PRO   6   0.390  -3.105  -4.343
   24   1HB   PRO   6          HB2       PRO   6   3.183  -2.764  -5.612
   25   2HB   PRO   6          HB1       PRO   6   2.198  -4.275  -5.488
   26   1HG   PRO   6          HG1       PRO   6   2.281  -2.848  -7.834
   27   2HG   PRO   6          HG2       PRO   6   0.703  -3.515  -7.232
   28   1HD   PRO   6          HD1       PRO   6   1.713  -0.625  -7.041
   29   2HD   PRO   6          HD2       PRO   6   0.041  -1.279  -7.366
   30    H    ARG   7           HN       ARG   7   2.544  -0.302  -4.169
   31    HA   ARG   7           HA       ARG   7   4.077  -1.411  -2.003
   32   1HB   ARG   7          HB2       ARG   7   4.161   1.398  -3.242
   33   2HB   ARG   7          HB1       ARG   7   5.212   0.807  -1.919
   34   1HG   ARG   7          HG2       ARG   7   6.590   0.548  -3.761
   35   2HG   ARG   7          HG1       ARG   7   5.972  -1.104  -3.452
   36   1HD   ARG   7          HD2       ARG   7   6.071  -0.649  -5.875
   37   2HD   ARG   7          HD1       ARG   7   4.329  -0.797  -5.409
   38    HE   ARG   7           HE       ARG   7   5.046   1.954  -5.161
   39   1HH1  ARG   7          HH11      ARG   7   4.785  -0.507  -7.755
   40   2HH1  ARG   7          HH12      ARG   7   4.481   0.658  -9.001
   41   1HH2  ARG   7          HH21      ARG   7   4.670   3.489  -6.862
   42   2HH2  ARG   7          HH22      ARG   7   4.424   2.954  -8.491
   43    H    CYS   8           HN       CYS   8   1.051   0.010  -2.273
   44    HA   CYS   8           HA       CYS   8   1.127   0.904   0.532
   45   1HB   CYS   8          HB2       CYS   8   0.000   2.433  -1.168
   46   2HB   CYS   8          HB1       CYS   8  -1.144   1.101  -1.504
   47    H    ALA   9           HN       ALA   9  -0.388  -1.310  -1.867
   48    HA   ALA   9           HA       ALA   9  -2.266  -2.496  -0.460
   49   1HB   ALA   9          HB1       ALA   9  -2.062  -4.481  -1.922
   50   2HB   ALA   9          HB2       ALA   9  -0.382  -4.001  -2.362
   51   3HB   ALA   9          HB3       ALA   9  -1.779  -2.984  -2.870
   52    H    TRP  10           HN       TRP  10   1.195  -3.427  -0.099
   53    HA   TRP  10           HA       TRP  10   0.586  -5.765   1.370
   54   1HB   TRP  10          HB2       TRP  10   2.936  -5.858   2.059
   55   2HB   TRP  10          HB1       TRP  10   2.801  -5.514   0.307
   56    HD1  TRP  10           HD1      TRP  10   3.326  -2.855  -0.415
   57    HE1  TRP  10           HE1      TRP  10   4.540  -0.973   0.758
   58    HE3  TRP  10           HE3      TRP  10   3.759  -4.984   4.186
   59    HZ2  TRP  10           HZ2      TRP  10   6.032  -0.630   3.215
   60    HZ3  TRP  10           HZ3      TRP  10   5.023  -3.793   5.947
   61    HH2  TRP  10           HH2      TRP  10   6.150  -1.650   5.465
   62    H    ARG  11           HN       ARG  11   0.592  -2.384   2.281
   63    HA   ARG  11           HA       ARG  11   0.932  -2.943   5.103
   64   1HB   ARG  11          HB2       ARG  11   0.105  -0.342   3.659
   65   2HB   ARG  11          HB1       ARG  11   0.560  -0.502   5.389
   66   1HG   ARG  11          HG2       ARG  11   2.853  -1.245   4.723
   67   2HG   ARG  11          HG1       ARG  11   2.433  -1.048   2.991
   68   1HD   ARG  11          HD2       ARG  11   2.439   1.236   5.084
   69   2HD   ARG  11          HD1       ARG  11   3.746   0.893   3.865
   70    HE   ARG  11           HE       ARG  11   1.172   1.118   2.545
   71   1HH1  ARG  11          HH11      ARG  11   3.679   3.094   4.152
   72   2HH1  ARG  11          HH12      ARG  11   3.322   4.530   3.252
   73   1HH2  ARG  11          HH21      ARG  11   0.705   3.065   1.336
   74   2HH2  ARG  11          HH22      ARG  11   1.620   4.507   1.618
   75    H    CYS  12           HN       CYS  12  -1.506  -2.447   2.625
   76    HA   CYS  12           HA       CYS  12  -3.693  -2.078   4.436
   77   1HB   CYS  12          HB2       CYS  12  -3.818  -3.108   1.540
   78   2HB   CYS  12          HB1       CYS  12  -5.175  -2.499   2.536
   79   1HN   NH2  13          H1        NH2  13  -2.409  -4.824   2.433
   80   2HN   NH2  13          H2        NH2  13  -3.159  -6.081   3.383
  Start of MODEL    4
    1   1H    GLY   1          HT1       GLY   1  -5.287   4.850  -5.357
    2   2H    GLY   1          HT2       GLY   1  -6.873   5.340  -4.979
    3   3H    GLY   1          HT3       GLY   1  -6.467   3.684  -4.997
    4   1HA   GLY   1          HA2       GLY   1  -5.420   5.730  -3.166
    5   2HA   GLY   1          HA1       GLY   1  -6.634   4.441  -2.784
    6    H    CYS   2           HN       CYS   2  -5.035   3.953  -1.041
    7    HA   CYS   2           HA       CYS   2  -2.420   3.226  -1.495
    8   1HB   CYS   2          HB2       CYS   2  -3.510   3.745   0.745
    9   2HB   CYS   2          HB1       CYS   2  -4.377   2.209   0.694
   10    H    CYS   3           HN       CYS   3  -5.301   1.227  -1.017
   11    HA   CYS   3           HA       CYS   3  -3.924  -1.182  -1.275
   12   1HB   CYS   3          HB2       CYS   3  -6.935  -0.869  -1.629
   13   2HB   CYS   3          HB1       CYS   3  -6.040  -2.315  -1.070
   14    H    SER   4           HN       SER   4  -4.617   0.941  -3.752
   15    HA   SER   4           HA       SER   4  -5.161  -1.097  -5.753
   16   1HB   SER   4          HB2       SER   4  -4.901   1.957  -6.076
   17   2HB   SER   4          HB1       SER   4  -5.662   0.787  -7.227
   18    HG   SER   4           HG       SER   4  -7.264   1.750  -6.062
   19    H    ASP   5           HN       ASP   5  -2.453   0.230  -4.166
   20    HA   ASP   5           HA       ASP   5  -0.830   0.186  -6.622
   21   1HB   ASP   5          HB2       ASP   5  -1.020   2.449  -5.862
   22   2HB   ASP   5          HB1       ASP   5  -0.751   1.985  -4.136
   23    HA   PRO   6           HA       PRO   6   0.657  -3.234  -4.204
   24   1HB   PRO   6          HB2       PRO   6   3.229  -2.912  -5.877
   25   2HB   PRO   6          HB1       PRO   6   2.328  -4.436  -5.510
   26   1HG   PRO   6          HG1       PRO   6   2.039  -3.192  -7.945
   27   2HG   PRO   6          HG2       PRO   6   0.589  -3.864  -7.083
   28   1HD   PRO   6          HD1       PRO   6   1.503  -0.932  -7.233
   29   2HD   PRO   6          HD2       PRO   6  -0.169  -1.640  -7.312
   30    H    ARG   7           HN       ARG   7   2.566  -0.330  -4.553
   31    HA   ARG   7           HA       ARG   7   4.533  -0.999  -2.589
   32   1HB   ARG   7          HB2       ARG   7   3.850   1.516  -4.192
   33   2HB   ARG   7          HB1       ARG   7   4.948   1.627  -2.793
   34   1HG   ARG   7          HG2       ARG   7   6.229   1.471  -4.839
   35   2HG   ARG   7          HG1       ARG   7   6.542   0.100  -3.733
   36   1HD   ARG   7          HD2       ARG   7   6.540  -0.675  -6.057
   37   2HD   ARG   7          HD1       ARG   7   5.119  -1.407  -5.205
   38    HE   ARG   7           HE       ARG   7   4.151   0.985  -6.363
   39   1HH1  ARG   7          HH21      ARG   7   5.797  -1.957  -7.590
   40   2HH1  ARG   7          HH22      ARG   7   5.106  -1.837  -9.169
   41   1HH2  ARG   7          HH11      ARG   7   3.221   1.097  -8.503
   42   2HH2  ARG   7          HH12      ARG   7   3.626  -0.100  -9.687
   43    H    CYS   8           HN       CYS   8   1.272  -0.081  -2.382
   44    HA   CYS   8           HA       CYS   8   1.746   0.916   0.362
   45   1HB   CYS   8          HB2       CYS   8   0.999   2.717  -1.248
   46   2HB   CYS   8          HB1       CYS   8  -0.504   1.817  -1.518
   47    H    ALA   9           HN       ALA   9  -0.285  -0.985  -1.933
   48    HA   ALA   9           HA       ALA   9  -2.199  -1.818  -0.300
   49   1HB   ALA   9          HB1       ALA   9  -2.555  -3.734  -1.842
   50   2HB   ALA   9          HB2       ALA   9  -0.875  -3.545  -2.474
   51   3HB   ALA   9          HB3       ALA   9  -2.109  -2.268  -2.775
   52    H    TRP  10           HN       TRP  10   1.088  -2.969   0.019
   53    HA   TRP  10           HA       TRP  10   0.448  -5.408   1.321
   54   1HB   TRP  10          HB2       TRP  10   2.782  -5.360   2.197
   55   2HB   TRP  10          HB1       TRP  10   2.699  -5.091   0.431
   56    HD1  TRP  10           HD1      TRP  10   2.951  -2.324  -0.335
   57    HE1  TRP  10           HE1      TRP  10   4.339  -0.490   0.666
   58    HE3  TRP  10           HE3      TRP  10   3.683  -4.474   4.211
   59    HZ2  TRP  10           HZ2      TRP  10   5.822  -0.073   3.158
   60    HZ3  TRP  10           HZ3      TRP  10   5.045  -3.282   5.907
   61    HH2  TRP  10           HH2      TRP  10   6.115  -1.123   5.376
   62    H    ARG  11           HN       ARG  11   0.294  -2.037   2.291
   63    HA   ARG  11           HA       ARG  11   0.395  -2.602   5.107
   64   1HB   ARG  11          HB2       ARG  11  -0.540  -0.072   3.616
   65   2HB   ARG  11          HB1       ARG  11  -0.125  -0.192   5.363
   66   1HG   ARG  11          HG2       ARG  11   2.264  -0.649   4.767
   67   2HG   ARG  11          HG1       ARG  11   1.841  -0.680   3.022
   68   1HD   ARG  11          HD2       ARG  11   1.096   1.718   3.142
   69   2HD   ARG  11          HD1       ARG  11   1.688   1.800   4.859
   70    HE   ARG  11           HE       ARG  11   3.925   0.870   3.738
   71   1HH1  ARG  11          HH21      ARG  11   1.749   3.340   2.327
   72   2HH1  ARG  11          HH22      ARG  11   3.003   4.078   1.388
   73   1HH2  ARG  11          HH11      ARG  11   5.571   1.893   2.489
   74   2HH2  ARG  11          HH12      ARG  11   5.210   3.264   1.502
   75    H    CYS  12           HN       CYS  12  -1.879  -2.649   2.495
   76    HA   CYS  12           HA       CYS  12  -4.212  -2.447   4.232
   77   1HB   CYS  12          HB2       CYS  12  -4.129  -3.319   1.281
   78   2HB   CYS  12          HB1       CYS  12  -5.576  -2.980   2.274
   79   1HN   NH2  13          H1        NH2  13  -3.006  -6.242   2.983
   80   2HN   NH2  13          H2        NH2  13  -2.520  -4.837   2.073
  Start of MODEL    5
    1   1H    GLY   1          HT1       GLY   1  -5.851   7.231  -4.441
    2   2H    GLY   1          HT2       GLY   1  -4.455   6.399  -4.947
    3   3H    GLY   1          HT3       GLY   1  -4.480   7.172  -3.437
    4   1HA   GLY   1          HA2       GLY   1  -6.147   5.692  -2.654
    5   2HA   GLY   1          HA1       GLY   1  -6.096   4.860  -4.268
    6    H    CYS   2           HN       CYS   2  -5.380   3.998  -1.346
    7    HA   CYS   2           HA       CYS   2  -2.525   3.573  -1.554
    8   1HB   CYS   2          HB2       CYS   2  -3.573   4.032   0.663
    9   2HB   CYS   2          HB1       CYS   2  -4.576   2.580   0.532
   10    H    CYS   3           HN       CYS   3  -5.284   1.380  -0.940
   11    HA   CYS   3           HA       CYS   3  -3.738  -0.838  -1.176
   12   1HB   CYS   3          HB2       CYS   3  -6.786  -0.805  -1.489
   13   2HB   CYS   3          HB1       CYS   3  -5.777  -2.176  -0.929
   14    H    SER   4           HN       SER   4  -4.975   0.894  -3.830
   15    HA   SER   4           HA       SER   4  -5.227  -1.281  -5.627
   16   1HB   SER   4          HB2       SER   4  -4.605   1.662  -6.303
   17   2HB   SER   4          HB1       SER   4  -5.462   0.440  -7.320
   18    HG   SER   4           HG       SER   4  -6.929   1.821  -6.339
   19    H    ASP   5           HN       ASP   5  -2.511   0.711  -4.344
   20    HA   ASP   5           HA       ASP   5  -0.928   0.041  -6.706
   21   1HB   ASP   5          HB2       ASP   5  -0.993   2.407  -6.060
   22   2HB   ASP   5          HB1       ASP   5  -0.318   2.005  -4.436
   23    HA   PRO   6           HA       PRO   6   0.584  -3.211  -4.145
   24   1HB   PRO   6          HB2       PRO   6   3.161  -2.976  -5.821
   25   2HB   PRO   6          HB1       PRO   6   2.267  -4.484  -5.365
   26   1HG   PRO   6          HG1       PRO   6   1.949  -3.388  -7.859
   27   2HG   PRO   6          HG2       PRO   6   0.497  -3.985  -6.948
   28   1HD   PRO   6          HD1       PRO   6   1.438  -1.086  -7.287
   29   2HD   PRO   6          HD2       PRO   6  -0.242  -1.791  -7.277
   30    H    ARG   7           HN       ARG   7   2.539  -0.312  -4.464
   31    HA   ARG   7           HA       ARG   7   4.449  -1.104  -2.464
   32   1HB   ARG   7          HB2       ARG   7   3.951   1.664  -3.705
   33   2HB   ARG   7          HB1       ARG   7   5.386   1.168  -2.748
   34   1HG   ARG   7          HG2       ARG   7   5.999  -0.509  -4.487
   35   2HG   ARG   7          HG1       ARG   7   4.593  -0.023  -5.493
   36   1HD   ARG   7          HD2       ARG   7   6.906   1.858  -4.649
   37   2HD   ARG   7          HD1       ARG   7   6.746   1.040  -6.265
   38    HE   ARG   7           HE       ARG   7   4.305   2.375  -5.901
   39   1HH1  ARG   7          HH11      ARG   7   7.747   3.356  -5.948
   40   2HH1  ARG   7          HH12      ARG   7   7.426   4.925  -6.609
   41   1HH2  ARG   7          HH21      ARG   7   3.903   4.485  -6.788
   42   2HH2  ARG   7          HH22      ARG   7   5.212   5.575  -7.091
   43    H    CYS   8           HN       CYS   8   1.271  -0.098  -2.362
   44    HA   CYS   8           HA       CYS   8   1.627   0.969   0.368
   45   1HB   CYS   8          HB2       CYS   8   0.796   2.646  -1.396
   46   2HB   CYS   8          HB1       CYS   8  -0.677   1.661  -1.536
   47    H    ALA   9           HN       ALA   9  -0.224  -1.072  -1.960
   48    HA   ALA   9           HA       ALA   9  -2.164  -1.983  -0.379
   49   1HB   ALA   9          HB1       ALA   9  -2.351  -3.940  -1.884
   50   2HB   ALA   9          HB2       ALA   9  -0.660  -3.684  -2.450
   51   3HB   ALA   9          HB3       ALA   9  -1.944  -2.478  -2.843
   52    H    TRP  10           HN       TRP  10   1.181  -2.956   0.025
   53    HA   TRP  10           HA       TRP  10   0.649  -5.418   1.332
   54   1HB   TRP  10          HB2       TRP  10   2.943  -5.238   2.286
   55   2HB   TRP  10          HB1       TRP  10   2.918  -4.959   0.514
   56    HD1  TRP  10           HD1      TRP  10   3.138  -2.281  -0.270
   57    HE1  TRP  10           HE1      TRP  10   4.240  -0.286   0.811
   58    HE3  TRP  10           HE3      TRP  10   3.615  -4.247   4.394
   59    HZ2  TRP  10           HZ2      TRP  10   5.431   0.311   3.408
   60    HZ3  TRP  10           HZ3      TRP  10   4.707  -2.909   6.164
   61    HH2  TRP  10           HH2      TRP  10   5.603  -0.660   5.678
   62    H    ARG  11           HN       ARG  11   0.307  -2.057   2.296
   63    HA   ARG  11           HA       ARG  11   0.439  -2.587   5.109
   64   1HB   ARG  11          HB2       ARG  11  -0.704  -0.175   3.559
   65   2HB   ARG  11          HB1       ARG  11  -0.361  -0.217   5.323
   66   1HG   ARG  11          HG2       ARG  11   2.063  -0.404   4.882
   67   2HG   ARG  11          HG1       ARG  11   1.770  -0.556   3.112
   68   1HD   ARG  11          HD2       ARG  11   0.830   1.727   2.990
   69   2HD   ARG  11          HD1       ARG  11   1.065   1.955   4.779
   70    HE   ARG  11           HE       ARG  11   3.587   1.236   3.982
   71   1HH1  ARG  11          HH21      ARG  11   1.320   3.679   2.661
   72   2HH1  ARG  11          HH22      ARG  11   2.578   4.758   2.163
   73   1HH2  ARG  11          HH11      ARG  11   5.247   2.699   3.287
   74   2HH2  ARG  11          HH12      ARG  11   4.835   4.178   2.488
   75    H    CYS  12           HN       CYS  12  -1.844  -2.795   2.510
   76    HA   CYS  12           HA       CYS  12  -4.181  -2.629   4.249
   77   1HB   CYS  12          HB2       CYS  12  -4.096  -3.319   1.254
   78   2HB   CYS  12          HB1       CYS  12  -5.541  -2.965   2.248
   79   1HN   NH2  13          H1        NH2  13  -3.092  -6.374   2.766
   80   2HN   NH2  13          H2        NH2  13  -2.522  -4.934   1.962
  Start of MODEL    6
    1   1H    GLY   1          HT1       GLY   1  -9.470   3.190  -4.039
    2   2H    GLY   1          HT2       GLY   1  -8.596   1.952  -3.274
    3   3H    GLY   1          HT3       GLY   1  -8.069   2.564  -4.769
    4   1HA   GLY   1          HA2       GLY   1  -7.781   4.742  -3.716
    5   2HA   GLY   1          HA1       GLY   1  -8.073   3.885  -2.147
    6    H    CYS   2           HN       CYS   2  -6.085   4.015  -1.194
    7    HA   CYS   2           HA       CYS   2  -3.648   4.152  -2.352
    8   1HB   CYS   2          HB2       CYS   2  -4.399   4.482   0.130
    9   2HB   CYS   2          HB1       CYS   2  -4.137   2.745   0.362
   10    H    CYS   3           HN       CYS   3  -5.317   1.313  -1.151
   11    HA   CYS   3           HA       CYS   3  -3.353  -0.578  -1.442
   12   1HB   CYS   3          HB2       CYS   3  -6.352  -1.154  -1.711
   13   2HB   CYS   3          HB1       CYS   3  -5.085  -2.226  -1.038
   14    H    SER   4           HN       SER   4  -4.807   1.021  -4.038
   15    HA   SER   4           HA       SER   4  -4.898  -1.189  -5.868
   16   1HB   SER   4          HB2       SER   4  -4.566   1.784  -6.616
   17   2HB   SER   4          HB1       SER   4  -5.347   0.462  -7.574
   18    HG   SER   4           HG       SER   4  -6.207   1.910  -5.308
   19    H    ASP   5           HN       ASP   5  -2.492   0.947  -4.435
   20    HA   ASP   5           HA       ASP   5  -0.625   0.491  -6.605
   21   1HB   ASP   5          HB2       ASP   5  -0.796   2.741  -5.717
   22   2HB   ASP   5          HB1       ASP   5  -0.376   2.169  -4.058
   23    HA   PRO   6           HA       PRO   6   0.378  -3.097  -4.256
   24   1HB   PRO   6          HB2       PRO   6   3.118  -2.910  -5.669
   25   2HB   PRO   6          HB1       PRO   6   2.077  -4.376  -5.453
   26   1HG   PRO   6          HG1       PRO   6   2.061  -3.026  -7.837
   27   2HG   PRO   6          HG2       PRO   6   0.493  -3.584  -7.109
   28   1HD   PRO   6          HD1       PRO   6   1.654  -0.740  -7.081
   29   2HD   PRO   6          HD2       PRO   6  -0.059  -1.328  -7.271
   30    H    ARG   7           HN       ARG   7   2.538  -0.368  -4.208
   31    HA   ARG   7           HA       ARG   7   4.192  -1.289  -2.068
   32   1HB   ARG   7          HB2       ARG   7   3.738   1.544  -3.204
   33   2HB   ARG   7          HB1       ARG   7   5.009   1.119  -2.031
   34   1HG   ARG   7          HG2       ARG   7   4.786   0.164  -4.961
   35   2HG   ARG   7          HG1       ARG   7   5.952   1.323  -4.255
   36   1HD   ARG   7          HD2       ARG   7   5.830  -1.735  -3.829
   37   2HD   ARG   7          HD1       ARG   7   7.164  -0.736  -4.535
   38    HE   ARG   7           HE       ARG   7   6.296  -0.291  -1.676
   39   1HH1  ARG   7          HH11      ARG   7   8.813  -1.547  -3.910
   40   2HH1  ARG   7          HH12      ARG   7   9.982  -1.770  -2.653
   41   1HH2  ARG   7          HH21      ARG   7   7.907  -0.546  -0.043
   42   2HH2  ARG   7          HH22      ARG   7   9.473  -1.174  -0.433
   43    H    CYS   8           HN       CYS   8   1.014  -0.102  -2.246
   44    HA   CYS   8           HA       CYS   8   1.131   0.723   0.590
   45   1HB   CYS   8          HB2       CYS   8   0.141   2.349  -1.136
   46   2HB   CYS   8          HB1       CYS   8  -1.170   1.157  -1.378
   47    H    ALA   9           HN       ALA   9  -0.386  -1.373  -1.901
   48    HA   ALA   9           HA       ALA   9  -2.320  -2.600  -0.587
   49   1HB   ALA   9          HB1       ALA   9  -2.048  -4.560  -2.035
   50   2HB   ALA   9          HB2       ALA   9  -0.334  -4.121  -2.369
   51   3HB   ALA   9          HB3       ALA   9  -1.677  -3.078  -2.977
   52    H    TRP  10           HN       TRP  10   1.133  -3.566  -0.217
   53    HA   TRP  10           HA       TRP  10   0.549  -5.785   1.409
   54   1HB   TRP  10          HB2       TRP  10   2.898  -5.884   2.044
   55   2HB   TRP  10          HB1       TRP  10   2.733  -5.631   0.277
   56    HD1  TRP  10           HD1      TRP  10   2.708  -2.531  -0.074
   57    HE1  TRP  10           HE1      TRP  10   4.520  -1.008   0.719
   58    HE3  TRP  10           HE3      TRP  10   4.880  -5.720   3.270
   59    HZ2  TRP  10           HZ2      TRP  10   6.899  -1.224   2.394
   60    HZ3  TRP  10           HZ3      TRP  10   6.955  -5.018   4.413
   61    HH2  TRP  10           HH2      TRP  10   7.955  -2.806   3.978
   62    H    ARG  11           HN       ARG  11   0.546  -2.357   2.179
   63    HA   ARG  11           HA       ARG  11   0.899  -2.878   5.030
   64   1HB   ARG  11          HB2       ARG  11   0.340  -0.220   3.572
   65   2HB   ARG  11          HB1       ARG  11   0.727  -0.451   5.317
   66   1HG   ARG  11          HG2       ARG  11   2.955  -1.528   4.535
   67   2HG   ARG  11          HG1       ARG  11   2.598  -0.884   2.900
   68   1HD   ARG  11          HD2       ARG  11   2.877   0.779   5.509
   69   2HD   ARG  11          HD1       ARG  11   4.119   0.634   4.212
   70    HE   ARG  11           HE       ARG  11   1.451   2.053   4.051
   71   1HH1  ARG  11          HH11      ARG  11   4.608   1.311   2.538
   72   2HH1  ARG  11          HH12      ARG  11   4.452   2.522   1.313
   73   1HH2  ARG  11          HH21      ARG  11   1.245   3.639   2.359
   74   2HH2  ARG  11          HH22      ARG  11   2.538   3.885   1.239
   75    H    CYS  12           HN       CYS  12  -1.509  -2.102   2.524
   76    HA   CYS  12           HA       CYS  12  -3.703  -1.826   4.290
   77   1HB   CYS  12          HB2       CYS  12  -3.734  -3.038   1.457
   78   2HB   CYS  12          HB1       CYS  12  -5.164  -2.560   2.419
   79   1HN   NH2  13          H1        NH2  13  -3.020  -5.881   3.637
   80   2HN   NH2  13          H2        NH2  13  -2.325  -4.706   2.549
  Start of MODEL    7
    1   1H    GLY   1          HT1       GLY   1  -9.266   3.888  -3.942
    2   2H    GLY   1          HT2       GLY   1  -8.510   3.015  -2.700
    3   3H    GLY   1          HT3       GLY   1  -8.210   2.610  -4.325
    4   1HA   GLY   1          HA2       GLY   1  -7.220   4.742  -4.696
    5   2HA   GLY   1          HA1       GLY   1  -7.429   5.077  -2.926
    6    H    CYS   2           HN       CYS   2  -5.725   4.631  -1.718
    7    HA   CYS   2           HA       CYS   2  -3.288   4.155  -2.445
    8   1HB   CYS   2          HB2       CYS   2  -4.346   4.714  -0.115
    9   2HB   CYS   2          HB1       CYS   2  -4.297   2.979   0.230
   10    H    CYS   3           HN       CYS   3  -5.404   1.547  -1.271
   11    HA   CYS   3           HA       CYS   3  -3.417  -0.421  -1.302
   12   1HB   CYS   3          HB2       CYS   3  -6.443  -0.916  -1.410
   13   2HB   CYS   3          HB1       CYS   3  -5.181  -2.028  -0.787
   14    H    SER   4           HN       SER   4  -4.860   0.969  -3.998
   15    HA   SER   4           HA       SER   4  -4.981  -1.416  -5.621
   16   1HB   SER   4          HB2       SER   4  -4.782   1.453  -6.698
   17   2HB   SER   4          HB1       SER   4  -5.589   0.017  -7.431
   18    HG   SER   4           HG       SER   4  -6.317   1.683  -5.265
   19    H    ASP   5           HN       ASP   5  -2.534   0.785  -4.361
   20    HA   ASP   5           HA       ASP   5  -0.790   0.337  -6.642
   21   1HB   ASP   5          HB2       ASP   5  -0.968   2.641  -5.666
   22   2HB   ASP   5          HB1       ASP   5  -0.295   2.025  -4.118
   23    HA   PRO   6           HA       PRO   6   0.566  -3.171  -4.381
   24   1HB   PRO   6          HB2       PRO   6   3.346  -2.644  -5.619
   25   2HB   PRO   6          HB1       PRO   6   2.447  -4.209  -5.545
   26   1HG   PRO   6          HG1       PRO   6   2.469  -2.714  -7.856
   27   2HG   PRO   6          HG2       PRO   6   0.933  -3.497  -7.287
   28   1HD   PRO   6          HD1       PRO   6   1.739  -0.551  -7.032
   29   2HD   PRO   6          HD2       PRO   6   0.119  -1.321  -7.362
   30    H    ARG   7           HN       ARG   7   2.534  -0.256  -4.135
   31    HA   ARG   7           HA       ARG   7   4.095  -1.307  -1.943
   32   1HB   ARG   7          HB2       ARG   7   4.132   1.476  -3.227
   33   2HB   ARG   7          HB1       ARG   7   5.359   0.823  -2.089
   34   1HG   ARG   7          HG2       ARG   7   4.784  -0.363  -4.897
   35   2HG   ARG   7          HG1       ARG   7   5.985   0.914  -4.556
   36   1HD   ARG   7          HD2       ARG   7   7.129  -1.240  -4.750
   37   2HD   ARG   7          HD1       ARG   7   7.267  -0.631  -3.052
   38    HE   ARG   7           HE       ARG   7   5.416  -2.206  -2.432
   39   1HH1  ARG   7          HH11      ARG   7   7.277  -2.969  -5.389
   40   2HH1  ARG   7          HH12      ARG   7   6.811  -4.637  -5.394
   41   1HH2  ARG   7          HH21      ARG   7   4.753  -4.405  -2.500
   42   2HH2  ARG   7          HH22      ARG   7   5.383  -5.468  -3.708
   43    H    CYS   8           HN       CYS   8   1.056  -0.165  -2.173
   44    HA   CYS   8           HA       CYS   8   1.179   0.737   0.635
   45   1HB   CYS   8          HB2       CYS   8   0.266   2.491  -0.922
   46   2HB   CYS   8          HB1       CYS   8  -0.960   1.312  -1.473
   47    H    ALA   9           HN       ALA   9  -0.326  -1.340  -1.902
   48    HA   ALA   9           HA       ALA   9  -2.297  -2.498  -0.538
   49   1HB   ALA   9          HB1       ALA   9  -1.801  -2.917  -2.950
   50   2HB   ALA   9          HB2       ALA   9  -2.099  -4.443  -2.053
   51   3HB   ALA   9          HB3       ALA   9  -0.410  -3.965  -2.469
   52    H    TRP  10           HN       TRP  10   1.163  -3.422  -0.225
   53    HA   TRP  10           HA       TRP  10   0.655  -5.732   1.302
   54   1HB   TRP  10          HB2       TRP  10   3.009  -5.741   1.948
   55   2HB   TRP  10          HB1       TRP  10   2.857  -5.363   0.204
   56    HD1  TRP  10           HD1      TRP  10   3.026  -2.516  -0.306
   57    HE1  TRP  10           HE1      TRP  10   4.351  -0.700   0.858
   58    HE3  TRP  10           HE3      TRP  10   4.232  -5.125   3.889
   59    HZ2  TRP  10           HZ2      TRP  10   5.985  -0.481   3.246
   60    HZ3  TRP  10           HZ3      TRP  10   5.660  -4.056   5.603
   61    HH2  TRP  10           HH2      TRP  10   6.524  -1.766   5.283
   62    H    ARG  11           HN       ARG  11   0.486  -2.344   2.174
   63    HA   ARG  11           HA       ARG  11   0.925  -2.845   4.999
   64   1HB   ARG  11          HB2       ARG  11  -0.189  -0.294   3.682
   65   2HB   ARG  11          HB1       ARG  11   0.525  -0.471   5.321
   66   1HG   ARG  11          HG2       ARG  11   2.745  -1.066   4.161
   67   2HG   ARG  11          HG1       ARG  11   1.976  -0.628   2.598
   68   1HD   ARG  11          HD2       ARG  11   2.407   1.221   5.040
   69   2HD   ARG  11          HD1       ARG  11   3.292   1.297   3.453
   70    HE   ARG  11           HE       ARG  11   0.525   1.514   2.847
   71   1HH1  ARG  11          HH21      ARG  11   2.962   3.355   4.720
   72   2HH1  ARG  11          HH22      ARG  11   2.087   4.846   4.645
   73   1HH2  ARG  11          HH11      ARG  11  -0.629   3.536   2.760
   74   2HH2  ARG  11          HH12      ARG  11   0.016   4.949   3.530
   75    H    CYS  12           HN       CYS  12  -1.599  -2.202   2.575
   76    HA   CYS  12           HA       CYS  12  -3.748  -2.059   4.398
   77   1HB   CYS  12          HB2       CYS  12  -3.901  -3.034   1.489
   78   2HB   CYS  12          HB1       CYS  12  -5.259  -2.483   2.524
   79   1HN   NH2  13          H1        NH2  13  -3.111  -6.037   3.393
   80   2HN   NH2  13          H2        NH2  13  -2.377  -4.788   2.426
  Start of MODEL    8
    1   1H    GLY   1          HT1       GLY   1  -8.979   5.017  -3.736
    2   2H    GLY   1          HT2       GLY   1  -7.417   5.613  -4.011
    3   3H    GLY   1          HT3       GLY   1  -7.894   5.175  -2.437
    4   1HA   GLY   1          HA2       GLY   1  -8.014   2.915  -3.011
    5   2HA   GLY   1          HA1       GLY   1  -7.724   3.359  -4.743
    6    H    CYS   2           HN       CYS   2  -6.168   3.675  -1.471
    7    HA   CYS   2           HA       CYS   2  -3.608   4.148  -2.548
    8   1HB   CYS   2          HB2       CYS   2  -4.459   4.642  -0.154
    9   2HB   CYS   2          HB1       CYS   2  -4.261   2.916   0.223
   10    H    CYS   3           HN       CYS   3  -5.295   1.368  -1.204
   11    HA   CYS   3           HA       CYS   3  -3.243  -0.468  -1.316
   12   1HB   CYS   3          HB2       CYS   3  -6.218  -1.174  -1.524
   13   2HB   CYS   3          HB1       CYS   3  -4.915  -2.162  -0.792
   14    H    SER   4           HN       SER   4  -4.885   0.837  -3.994
   15    HA   SER   4           HA       SER   4  -4.732  -1.480  -5.675
   16   1HB   SER   4          HB2       SER   4  -4.975   1.502  -6.418
   17   2HB   SER   4          HB1       SER   4  -5.359   0.079  -7.470
   18    HG   SER   4           HG       SER   4  -7.207   0.975  -6.506
   19    H    ASP   5           HN       ASP   5  -2.517   0.926  -4.383
   20    HA   ASP   5           HA       ASP   5  -0.677   0.601  -6.602
   21   1HB   ASP   5          HB2       ASP   5  -0.930   2.877  -5.601
   22   2HB   ASP   5          HB1       ASP   5  -0.475   2.222  -3.990
   23    HA   PRO   6           HA       PRO   6   0.385  -2.986  -4.437
   24   1HB   PRO   6          HB2       PRO   6   3.001  -3.599  -5.402
   25   2HB   PRO   6          HB1       PRO   6   1.470  -3.833  -6.329
   26   1HG   PRO   6          HG1       PRO   6   3.391  -1.445  -6.422
   27   2HG   PRO   6          HG2       PRO   6   2.645  -2.336  -7.812
   28   1HD   PRO   6          HD1       PRO   6   1.572   0.032  -6.917
   29   2HD   PRO   6          HD2       PRO   6   0.457  -1.344  -7.362
   30    H    ARG   7           HN       ARG   7   2.572  -0.288  -4.119
   31    HA   ARG   7           HA       ARG   7   4.187  -1.399  -2.065
   32   1HB   ARG   7          HB2       ARG   7   3.712   1.579  -2.643
   33   2HB   ARG   7          HB1       ARG   7   5.133   0.844  -1.827
   34   1HG   ARG   7          HG2       ARG   7   5.738  -0.298  -4.015
   35   2HG   ARG   7          HG1       ARG   7   4.368   0.546  -4.811
   36   1HD   ARG   7          HD2       ARG   7   6.822   1.881  -3.479
   37   2HD   ARG   7          HD1       ARG   7   6.467   1.795  -5.258
   38    HE   ARG   7           HE       ARG   7   4.191   2.977  -4.031
   39   1HH1  ARG   7          HH11      ARG   7   7.658   3.790  -4.399
   40   2HH1  ARG   7          HH12      ARG   7   7.418   5.485  -4.140
   41   1HH2  ARG   7          HH21      ARG   7   3.913   5.234  -3.589
   42   2HH2  ARG   7          HH22      ARG   7   5.260   6.317  -3.672
   43    H    CYS   8           HN       CYS   8   1.060   0.097  -2.215
   44    HA   CYS   8           HA       CYS   8   1.091   0.728   0.662
   45   1HB   CYS   8          HB2       CYS   8   0.267   2.450  -1.012
   46   2HB   CYS   8          HB1       CYS   8  -1.024   1.306  -1.467
   47    H    ALA   9           HN       ALA   9  -0.346  -1.300  -1.922
   48    HA   ALA   9           HA       ALA   9  -2.352  -2.525  -0.718
   49   1HB   ALA   9          HB1       ALA   9  -0.240  -3.986  -2.412
   50   2HB   ALA   9          HB2       ALA   9  -1.622  -3.027  -3.060
   51   3HB   ALA   9          HB3       ALA   9  -1.936  -4.529  -2.124
   52    H    TRP  10           HN       TRP  10   1.073  -3.561  -0.236
   53    HA   TRP  10           HA       TRP  10   0.268  -5.789   1.307
   54   1HB   TRP  10          HB2       TRP  10   2.575  -6.180   1.864
   55   2HB   TRP  10          HB1       TRP  10   2.462  -5.715   0.133
   56    HD1  TRP  10           HD1      TRP  10   3.598  -3.303  -0.533
   57    HE1  TRP  10           HE1      TRP  10   4.877  -1.556   0.777
   58    HE3  TRP  10           HE3      TRP  10   3.189  -5.352   4.110
   59    HZ2  TRP  10           HZ2      TRP  10   6.037  -1.302   3.412
   60    HZ3  TRP  10           HZ3      TRP  10   4.346  -4.283   6.006
   61    HH2  TRP  10           HH2      TRP  10   5.754  -2.283   5.665
   62    H    ARG  11           HN       ARG  11   0.740  -2.403   2.084
   63    HA   ARG  11           HA       ARG  11   1.086  -2.759   4.897
   64   1HB   ARG  11          HB2       ARG  11   0.081  -0.217   3.481
   65   2HB   ARG  11          HB1       ARG  11   0.855  -0.348   5.094
   66   1HG   ARG  11          HG2       ARG  11   3.028  -0.951   3.946
   67   2HG   ARG  11          HG1       ARG  11   2.198  -0.814   2.352
   68   1HD   ARG  11          HD2       ARG  11   1.563   1.609   3.022
   69   2HD   ARG  11          HD1       ARG  11   2.720   1.429   4.415
   70    HE   ARG  11           HE       ARG  11   3.848   0.719   1.764
   71   1HH1  ARG  11          HH11      ARG  11   3.070   3.457   3.922
   72   2HH1  ARG  11          HH12      ARG  11   4.179   4.552   3.170
   73   1HH2  ARG  11          HH21      ARG  11   5.384   2.167   0.808
   74   2HH2  ARG  11          HH22      ARG  11   5.558   3.790   1.393
   75    H    CYS  12           HN       CYS  12  -1.526  -2.105   2.565
   76    HA   CYS  12           HA       CYS  12  -3.613  -1.862   4.478
   77   1HB   CYS  12          HB2       CYS  12  -3.849  -2.961   1.616
   78   2HB   CYS  12          HB1       CYS  12  -5.189  -2.406   2.669
   79   1HN   NH2  13          H1        NH2  13  -2.886  -5.868   3.659
   80   2HN   NH2  13          H2        NH2  13  -2.303  -4.650   2.557
  Start of MODEL    9
    1   1H    GLY   1          HT1       GLY   1  -8.441   4.060  -3.645
    2   2H    GLY   1          HT2       GLY   1  -7.682   2.620  -3.159
    3   3H    GLY   1          HT3       GLY   1  -7.038   3.520  -4.443
    4   1HA   GLY   1          HA2       GLY   1  -6.591   5.341  -2.958
    5   2HA   GLY   1          HA1       GLY   1  -7.166   4.278  -1.608
    6    H    CYS   2           HN       CYS   2  -5.499   3.462  -0.495
    7    HA   CYS   2           HA       CYS   2  -2.852   3.399  -1.334
    8   1HB   CYS   2          HB2       CYS   2  -3.664   3.324   1.057
    9   2HB   CYS   2          HB1       CYS   2  -4.356   1.726   0.802
   10    H    CYS   3           HN       CYS   3  -5.276   0.895  -0.991
   11    HA   CYS   3           HA       CYS   3  -3.630  -1.238  -1.470
   12   1HB   CYS   3          HB2       CYS   3  -6.617  -1.398  -2.100
   13   2HB   CYS   3          HB1       CYS   3  -5.550  -2.681  -1.460
   14    H    SER   4           HN       SER   4  -5.151   0.818  -3.840
   15    HA   SER   4           HA       SER   4  -5.099  -0.929  -6.018
   16   1HB   SER   4          HB2       SER   4  -4.834   2.145  -5.968
   17   2HB   SER   4          HB1       SER   4  -5.527   1.136  -7.298
   18    HG   SER   4           HG       SER   4  -7.262   0.727  -6.042
   19    H    ASP   5           HN       ASP   5  -2.534   0.837  -4.287
   20    HA   ASP   5           HA       ASP   5  -0.811   0.639  -6.649
   21   1HB   ASP   5          HB2       ASP   5  -0.956   2.877  -5.722
   22   2HB   ASP   5          HB1       ASP   5  -0.451   2.293  -4.092
   23    HA   PRO   6           HA       PRO   6   0.174  -2.952  -4.333
   24   1HB   PRO   6          HB2       PRO   6   2.411  -3.967  -5.734
   25   2HB   PRO   6          HB1       PRO   6   0.708  -4.061  -6.313
   26   1HG   PRO   6          HG1       PRO   6   2.832  -1.998  -7.055
   27   2HG   PRO   6          HG2       PRO   6   1.680  -2.864  -8.148
   28   1HD   PRO   6          HD1       PRO   6   1.179  -0.280  -7.253
   29   2HD   PRO   6          HD2       PRO   6  -0.182  -1.483  -7.410
   30    H    ARG   7           HN       ARG   7   2.573  -0.407  -4.646
   31    HA   ARG   7           HA       ARG   7   4.383  -1.628  -2.767
   32   1HB   ARG   7          HB2       ARG   7   4.371   1.258  -3.842
   33   2HB   ARG   7          HB1       ARG   7   5.652   0.467  -2.865
   34   1HG   ARG   7          HG2       ARG   7   6.598   0.229  -4.931
   35   2HG   ARG   7          HG1       ARG   7   5.719  -1.326  -4.801
   36   1HD   ARG   7          HD2       ARG   7   5.469  -0.420  -7.064
   37   2HD   ARG   7          HD1       ARG   7   3.849  -0.312  -6.252
   38    HE   ARG   7           HE       ARG   7   5.094   2.157  -5.734
   39   1HH1  ARG   7          HH21      ARG   7   4.189   0.295  -8.654
   40   2HH1  ARG   7          HH22      ARG   7   3.950   1.701  -9.637
   41   1HH2  ARG   7          HH11      ARG   7   4.824   4.034  -7.102
   42   2HH2  ARG   7          HH12      ARG   7   4.341   3.841  -8.752
   43    H    CYS   8           HN       CYS   8   1.426  -0.022  -2.577
   44    HA   CYS   8           HA       CYS   8   1.936   0.964   0.153
   45   1HB   CYS   8          HB2       CYS   8   0.870   2.513  -1.602
   46   2HB   CYS   8          HB1       CYS   8  -0.517   1.400  -1.645
   47    H    ALA   9           HN       ALA   9  -0.003  -1.190  -1.943
   48    HA   ALA   9           HA       ALA   9  -1.929  -2.014  -0.412
   49   1HB   ALA   9          HB1       ALA   9  -2.035  -4.125  -1.733
   50   2HB   ALA   9          HB2       ALA   9  -0.320  -3.885  -2.241
   51   3HB   ALA   9          HB3       ALA   9  -1.604  -2.733  -2.781
   52    H    TRP  10           HN       TRP  10   1.329  -3.006   0.403
   53    HA   TRP  10           HA       TRP  10   0.609  -5.378   1.809
   54   1HB   TRP  10          HB2       TRP  10   2.802  -5.172   2.976
   55   2HB   TRP  10          HB1       TRP  10   2.963  -5.045   1.197
   56    HD1  TRP  10           HD1      TRP  10   3.345  -2.404   0.235
   57    HE1  TRP  10           HE1      TRP  10   4.480  -0.422   1.279
   58    HE3  TRP  10           HE3      TRP  10   3.322  -4.085   5.050
   59    HZ2  TRP  10           HZ2      TRP  10   5.329   0.369   3.961
   60    HZ3  TRP  10           HZ3      TRP  10   4.288  -2.662   6.825
   61    HH2  TRP  10           HH2      TRP  10   5.283  -0.470   6.287
   62    H    ARG  11           HN       ARG  11   0.348  -1.951   2.494
   63    HA   ARG  11           HA       ARG  11   0.148  -2.215   5.328
   64   1HB   ARG  11          HB2       ARG  11  -0.851   0.020   3.456
   65   2HB   ARG  11          HB1       ARG  11  -0.691   0.141   5.247
   66   1HG   ARG  11          HG2       ARG  11   1.777  -0.114   5.062
   67   2HG   ARG  11          HG1       ARG  11   1.642  -0.365   3.286
   68   1HD   ARG  11          HD2       ARG  11   0.684   1.948   3.020
   69   2HD   ARG  11          HD1       ARG  11   0.952   2.248   4.794
   70    HE   ARG  11           HE       ARG  11   3.432   1.354   3.881
   71   1HH1  ARG  11          HH11      ARG  11   1.223   3.995   2.888
   72   2HH1  ARG  11          HH12      ARG  11   2.498   5.025   2.331
   73   1HH2  ARG  11          HH21      ARG  11   5.122   2.761   3.096
   74   2HH2  ARG  11          HH22      ARG  11   4.733   4.308   2.425
   75    H    CYS  12           HN       CYS  12  -1.942  -2.612   2.553
   76    HA   CYS  12           HA       CYS  12  -4.397  -2.518   4.116
   77   1HB   CYS  12          HB2       CYS  12  -4.002  -3.497   1.217
   78   2HB   CYS  12          HB1       CYS  12  -5.558  -3.269   2.077
   79   1HN   NH2  13          H1        NH2  13  -2.914  -6.288   3.116
   80   2HN   NH2  13          H2        NH2  13  -2.428  -4.894   2.182
  Start of MODEL   10
    1   1H    GLY   1          HT1       GLY   1  -7.424   2.796  -5.065
    2   2H    GLY   1          HT2       GLY   1  -7.419   4.410  -5.595
    3   3H    GLY   1          HT3       GLY   1  -8.855   3.718  -4.996
    4   1HA   GLY   1          HA2       GLY   1  -7.777   5.217  -3.440
    5   2HA   GLY   1          HA1       GLY   1  -7.929   3.512  -2.848
    6    H    CYS   2           HN       CYS   2  -6.203   3.414  -1.462
    7    HA   CYS   2           HA       CYS   2  -3.569   4.234  -2.386
    8   1HB   CYS   2          HB2       CYS   2  -4.496   4.532   0.023
    9   2HB   CYS   2          HB1       CYS   2  -4.314   2.783   0.249
   10    H    CYS   3           HN       CYS   3  -5.374   1.374  -1.304
   11    HA   CYS   3           HA       CYS   3  -3.244  -0.387  -1.493
   12   1HB   CYS   3          HB2       CYS   3  -6.203  -1.178  -1.512
   13   2HB   CYS   3          HB1       CYS   3  -4.825  -2.129  -0.877
   14    H    SER   4           HN       SER   4  -4.827   0.936  -4.175
   15    HA   SER   4           HA       SER   4  -4.787  -1.367  -5.863
   16   1HB   SER   4          HB2       SER   4  -4.938   0.798  -7.525
   17   2HB   SER   4          HB1       SER   4  -6.370   0.240  -6.591
   18    HG   SER   4           HG       SER   4  -5.550   2.579  -6.464
   19    H    ASP   5           HN       ASP   5  -2.536   0.969  -4.477
   20    HA   ASP   5           HA       ASP   5  -0.647   0.580  -6.649
   21   1HB   ASP   5          HB2       ASP   5  -0.868   2.858  -5.679
   22   2HB   ASP   5          HB1       ASP   5  -0.430   2.220  -4.052
   23    HA   PRO   6           HA       PRO   6   0.320  -2.986  -4.337
   24   1HB   PRO   6          HB2       PRO   6   2.842  -3.761  -5.394
   25   2HB   PRO   6          HB1       PRO   6   1.269  -3.938  -6.262
   26   1HG   PRO   6          HG1       PRO   6   3.290  -1.651  -6.512
   27   2HG   PRO   6          HG2       PRO   6   2.457  -2.567  -7.834
   28   1HD   PRO   6          HD1       PRO   6   1.519  -0.120  -6.990
   29   2HD   PRO   6          HD2       PRO   6   0.334  -1.453  -7.355
   30    H    ARG   7           HN       ARG   7   2.491  -0.279  -4.192
   31    HA   ARG   7           HA       ARG   7   4.138  -1.364  -2.104
   32   1HB   ARG   7          HB2       ARG   7   3.922   1.541  -3.084
   33   2HB   ARG   7          HB1       ARG   7   5.211   0.844  -2.047
   34   1HG   ARG   7          HG2       ARG   7   5.825  -0.738  -3.914
   35   2HG   ARG   7          HG1       ARG   7   4.631   0.064  -4.985
   36   1HD   ARG   7          HD2       ARG   7   7.066   1.458  -3.665
   37   2HD   ARG   7          HD1       ARG   7   6.982   0.858  -5.379
   38    HE   ARG   7           HE       ARG   7   4.739   2.599  -4.910
   39   1HH1  ARG   7          HH11      ARG   7   8.306   2.734  -5.188
   40   2HH1  ARG   7          HH12      ARG   7   8.328   4.349  -5.816
   41   1HH2  ARG   7          HH21      ARG   7   4.801   4.773  -5.766
   42   2HH2  ARG   7          HH22      ARG   7   6.317   5.517  -6.147
   43    H    CYS   8           HN       CYS   8   0.998   0.015  -2.300
   44    HA   CYS   8           HA       CYS   8   1.117   0.818   0.528
   45   1HB   CYS   8          HB2       CYS   8  -0.020   2.356  -1.169
   46   2HB   CYS   8          HB1       CYS   8  -1.224   1.061  -1.429
   47    H    ALA   9           HN       ALA   9  -0.359  -1.382  -1.866
   48    HA   ALA   9           HA       ALA   9  -2.302  -2.553  -0.547
   49   1HB   ALA   9          HB1       ALA   9  -2.022  -4.548  -1.994
   50   2HB   ALA   9          HB2       ALA   9  -0.319  -4.064  -2.345
   51   3HB   ALA   9          HB3       ALA   9  -1.693  -3.044  -2.921
   52    H    TRP  10           HN       TRP  10   1.128  -3.521  -0.055
   53    HA   TRP  10           HA       TRP  10   0.431  -5.823   1.448
   54   1HB   TRP  10          HB2       TRP  10   2.794  -5.993   2.080
   55   2HB   TRP  10          HB1       TRP  10   2.624  -5.685   0.322
   56    HD1  TRP  10           HD1      TRP  10   3.249  -3.031  -0.468
   57    HE1  TRP  10           HE1      TRP  10   4.573  -1.202   0.669
   58    HE3  TRP  10           HE3      TRP  10   3.778  -5.194   4.112
   59    HZ2  TRP  10           HZ2      TRP  10   6.206  -0.948   3.051
   60    HZ3  TRP  10           HZ3      TRP  10   5.228  -4.109   5.795
   61    HH2  TRP  10           HH2      TRP  10   6.435  -2.019   5.267
   62    H    ARG  11           HN       ARG  11   0.593  -2.429   2.256
   63    HA   ARG  11           HA       ARG  11   0.979  -2.906   5.094
   64   1HB   ARG  11          HB2       ARG  11   0.238  -0.318   3.588
   65   2HB   ARG  11          HB1       ARG  11   0.713  -0.444   5.316
   66   1HG   ARG  11          HG2       ARG  11   2.970  -1.290   4.631
   67   2HG   ARG  11          HG1       ARG  11   2.525  -1.120   2.904
   68   1HD   ARG  11          HD2       ARG  11   2.661   1.210   4.946
   69   2HD   ARG  11          HD1       ARG  11   3.921   0.791   3.702
   70    HE   ARG  11           HE       ARG  11   1.243   1.142   2.544
   71   1HH1  ARG  11          HH11      ARG  11   4.155   2.896   3.662
   72   2HH1  ARG  11          HH12      ARG  11   3.873   4.273   2.651
   73   1HH2  ARG  11          HH21      ARG  11   0.888   3.009   1.196
   74   2HH2  ARG  11          HH22      ARG  11   2.003   4.333   1.227
   75    H    CYS  12           HN       CYS  12  -1.491  -2.272   2.644
   76    HA   CYS  12           HA       CYS  12  -3.640  -1.924   4.473
   77   1HB   CYS  12          HB2       CYS  12  -3.841  -3.091   1.634
   78   2HB   CYS  12          HB1       CYS  12  -5.168  -2.431   2.639
   79   1HN   NH2  13          H1        NH2  13  -3.035  -5.963   3.649
   80   2HN   NH2  13          H2        NH2  13  -2.405  -4.760   2.556
  Start of MODEL   11
    1   1H    GLY   1          HT1       GLY   1  -6.523   5.044  -6.103
    2   2H    GLY   1          HT2       GLY   1  -8.162   4.597  -5.992
    3   3H    GLY   1          HT3       GLY   1  -6.958   3.406  -6.176
    4   1HA   GLY   1          HA2       GLY   1  -7.179   5.214  -3.877
    5   2HA   GLY   1          HA1       GLY   1  -7.790   3.508  -3.942
    6    H    CYS   2           HN       CYS   2  -5.867   4.433  -2.016
    7    HA   CYS   2           HA       CYS   2  -3.235   4.205  -2.755
    8   1HB   CYS   2          HB2       CYS   2  -4.244   5.059  -0.526
    9   2HB   CYS   2          HB1       CYS   2  -4.356   3.376   0.017
   10    H    CYS   3           HN       CYS   3  -5.321   1.775  -1.190
   11    HA   CYS   3           HA       CYS   3  -3.418  -0.201  -1.026
   12   1HB   CYS   3          HB2       CYS   3  -6.472  -0.545  -1.102
   13   2HB   CYS   3          HB1       CYS   3  -5.296  -1.712  -0.424
   14    H    SER   4           HN       SER   4  -4.887   0.803  -3.932
   15    HA   SER   4           HA       SER   4  -4.915  -1.787  -5.172
   16   1HB   SER   4          HB2       SER   4  -4.841   1.014  -6.466
   17   2HB   SER   4          HB1       SER   4  -5.315  -0.540  -7.254
   18    HG   SER   4           HG       SER   4  -7.113   0.660  -6.618
   19    H    ASP   5           HN       ASP   5  -2.557   0.761  -4.384
   20    HA   ASP   5           HA       ASP   5  -0.904   0.086  -6.656
   21   1HB   ASP   5          HB2       ASP   5  -1.131   2.476  -5.978
   22   2HB   ASP   5          HB1       ASP   5  -0.447   2.081  -4.361
   23    HA   PRO   6           HA       PRO   6   0.743  -3.121  -4.273
   24   1HB   PRO   6          HB2       PRO   6   3.471  -2.516  -5.579
   25   2HB   PRO   6          HB1       PRO   6   2.693  -4.133  -5.341
   26   1HG   PRO   6          HG1       PRO   6   2.514  -2.875  -7.768
   27   2HG   PRO   6          HG2       PRO   6   1.047  -3.674  -7.059
   28   1HD   PRO   6          HD1       PRO   6   1.709  -0.690  -7.129
   29   2HD   PRO   6          HD2       PRO   6   0.112  -1.556  -7.288
   30    H    ARG   7           HN       ARG   7   2.578  -0.132  -4.090
   31    HA   ARG   7           HA       ARG   7   4.331  -0.918  -1.998
   32   1HB   ARG   7          HB2       ARG   7   3.482   1.880  -2.968
   33   2HB   ARG   7          HB1       ARG   7   4.862   1.542  -1.871
   34   1HG   ARG   7          HG2       ARG   7   6.033   0.276  -3.630
   35   2HG   ARG   7          HG1       ARG   7   4.673   0.496  -4.778
   36   1HD   ARG   7          HD2       ARG   7   6.302   2.819  -3.526
   37   2HD   ARG   7          HD1       ARG   7   6.592   2.112  -5.178
   38    HE   ARG   7           HE       ARG   7   3.847   2.750  -5.108
   39   1HH1  ARG   7          HH21      ARG   7   6.904   4.567  -4.738
   40   2HH1  ARG   7          HH22      ARG   7   6.274   6.025  -5.431
   41   1HH2  ARG   7          HH11      ARG   7   3.020   4.709  -6.028
   42   2HH2  ARG   7          HH12      ARG   7   4.032   6.102  -6.179
   43    H    CYS   8           HN       CYS   8   1.053   0.086  -2.154
   44    HA   CYS   8           HA       CYS   8   1.023   0.846   0.696
   45   1HB   CYS   8          HB2       CYS   8   0.148   2.503  -1.049
   46   2HB   CYS   8          HB1       CYS   8  -1.084   1.287  -1.479
   47    H    ALA   9           HN       ALA   9  -0.419  -1.154  -1.930
   48    HA   ALA   9           HA       ALA   9  -2.400  -2.426  -0.745
   49   1HB   ALA   9          HB1       ALA   9  -2.032  -4.337  -2.284
   50   2HB   ALA   9          HB2       ALA   9  -0.327  -3.816  -2.551
   51   3HB   ALA   9          HB3       ALA   9  -1.695  -2.798  -3.140
   52    H    TRP  10           HN       TRP  10   1.037  -3.467  -0.433
   53    HA   TRP  10           HA       TRP  10   0.382  -5.815   0.937
   54   1HB   TRP  10          HB2       TRP  10   2.704  -6.080   1.514
   55   2HB   TRP  10          HB1       TRP  10   2.588  -5.480  -0.168
   56    HD1  TRP  10           HD1      TRP  10   2.932  -2.500  -0.181
   57    HE1  TRP  10           HE1      TRP  10   4.716  -1.187   1.004
   58    HE3  TRP  10           HE3      TRP  10   4.095  -5.968   3.348
   59    HZ2  TRP  10           HZ2      TRP  10   6.588  -1.633   3.180
   60    HZ3  TRP  10           HZ3      TRP  10   5.838  -5.444   5.017
   61    HH2  TRP  10           HH2      TRP  10   7.069  -3.308   4.934
   62    H    ARG  11           HN       ARG  11   0.591  -2.496   2.086
   63    HA   ARG  11           HA       ARG  11   0.904  -3.346   4.857
   64   1HB   ARG  11          HB2       ARG  11   0.581  -0.545   3.624
   65   2HB   ARG  11          HB1       ARG  11   0.885  -0.898   5.363
   66   1HG   ARG  11          HG2       ARG  11   3.040  -2.026   4.765
   67   2HG   ARG  11          HG1       ARG  11   2.762  -1.648   3.038
   68   1HD   ARG  11          HD2       ARG  11   3.147   0.463   5.274
   69   2HD   ARG  11          HD1       ARG  11   4.399  -0.094   4.101
   70    HE   ARG  11           HE       ARG  11   3.208   0.925   2.278
   71   1HH1  ARG  11          HH11      ARG  11   1.643   1.608   5.429
   72   2HH1  ARG  11          HH12      ARG  11   0.775   2.987   4.841
   73   1HH2  ARG  11          HH21      ARG  11   2.088   2.814   1.543
   74   2HH2  ARG  11          HH22      ARG  11   1.032   3.680   2.610
   75    H    CYS  12           HN       CYS  12  -1.501  -2.163   2.516
   76    HA   CYS  12           HA       CYS  12  -3.578  -1.881   4.447
   77   1HB   CYS  12          HB2       CYS  12  -3.821  -2.647   1.476
   78   2HB   CYS  12          HB1       CYS  12  -5.171  -2.175   2.555
   79   1HN   NH2  13          H1        NH2  13  -2.660  -4.570   2.153
   80   2HN   NH2  13          H2        NH2  13  -3.438  -5.816   3.082
  Start of MODEL   12
    1   1H    GLY   1          HT1       GLY   1  -6.329   6.397  -5.208
    2   2H    GLY   1          HT2       GLY   1  -7.713   5.628  -5.830
    3   3H    GLY   1          HT3       GLY   1  -6.160   5.068  -6.246
    4   1HA   GLY   1          HA2       GLY   1  -7.303   5.064  -3.542
    5   2HA   GLY   1          HA1       GLY   1  -7.172   3.638  -4.656
    6    H    CYS   2           HN       CYS   2  -5.995   3.825  -1.981
    7    HA   CYS   2           HA       CYS   2  -3.151   4.198  -2.516
    8   1HB   CYS   2          HB2       CYS   2  -4.317   4.953  -0.336
    9   2HB   CYS   2          HB1       CYS   2  -4.437   3.240   0.127
   10    H    CYS   3           HN       CYS   3  -5.326   1.686  -1.134
   11    HA   CYS   3           HA       CYS   3  -3.414  -0.252  -1.002
   12   1HB   CYS   3          HB2       CYS   3  -6.461  -0.640  -1.165
   13   2HB   CYS   3          HB1       CYS   3  -5.290  -1.794  -0.455
   14    H    SER   4           HN       SER   4  -4.785   0.765  -3.950
   15    HA   SER   4           HA       SER   4  -4.843  -1.782  -5.245
   16   1HB   SER   4          HB2       SER   4  -4.940   0.083  -7.228
   17   2HB   SER   4          HB1       SER   4  -6.374  -0.228  -6.184
   18    HG   SER   4           HG       SER   4  -5.639   2.028  -6.449
   19    H    ASP   5           HN       ASP   5  -2.588   0.869  -4.451
   20    HA   ASP   5           HA       ASP   5  -0.834   0.249  -6.648
   21   1HB   ASP   5          HB2       ASP   5  -1.137   2.615  -5.866
   22   2HB   ASP   5          HB1       ASP   5  -0.545   2.153  -4.233
   23    HA   PRO   6           HA       PRO   6   0.574  -3.025  -4.308
   24   1HB   PRO   6          HB2       PRO   6   3.224  -3.544  -5.251
   25   2HB   PRO   6          HB1       PRO   6   1.692  -3.976  -6.099
   26   1HG   PRO   6          HG1       PRO   6   3.428  -1.488  -6.503
   27   2HG   PRO   6          HG2       PRO   6   2.678  -2.556  -7.760
   28   1HD   PRO   6          HD1       PRO   6   1.498  -0.182  -7.045
   29   2HD   PRO   6          HD2       PRO   6   0.453  -1.656  -7.292
   30    H    ARG   7           HN       ARG   7   2.626  -0.207  -4.136
   31    HA   ARG   7           HA       ARG   7   4.284  -1.070  -2.010
   32   1HB   ARG   7          HB2       ARG   7   3.543   1.787  -2.885
   33   2HB   ARG   7          HB1       ARG   7   4.926   1.336  -1.834
   34   1HG   ARG   7          HG2       ARG   7   5.990   0.089  -3.689
   35   2HG   ARG   7          HG1       ARG   7   4.611   0.441  -4.782
   36   1HD   ARG   7          HD2       ARG   7   6.450   2.583  -3.505
   37   2HD   ARG   7          HD1       ARG   7   6.561   1.965  -5.213
   38    HE   ARG   7           HE       ARG   7   3.873   2.798  -4.818
   39   1HH1  ARG   7          HH11      ARG   7   7.118   4.308  -4.824
   40   2HH1  ARG   7          HH12      ARG   7   6.538   5.855  -5.347
   41   1HH2  ARG   7          HH21      ARG   7   3.120   4.873  -5.508
   42   2HH2  ARG   7          HH22      ARG   7   4.231   6.180  -5.740
   43    H    CYS   8           HN       CYS   8   1.016   0.147  -2.221
   44    HA   CYS   8           HA       CYS   8   1.017   0.768   0.666
   45   1HB   CYS   8          HB2       CYS   8   0.151   2.532  -0.913
   46   2HB   CYS   8          HB1       CYS   8  -1.063   1.358  -1.490
   47    H    ALA   9           HN       ALA   9  -0.303  -1.268  -1.963
   48    HA   ALA   9           HA       ALA   9  -2.349  -2.488  -0.760
   49   1HB   ALA   9          HB1       ALA   9  -1.662  -2.868  -3.156
   50   2HB   ALA   9          HB2       ALA   9  -2.034  -4.398  -2.295
   51   3HB   ALA   9          HB3       ALA   9  -0.316  -3.923  -2.571
   52    H    TRP  10           HN       TRP  10   1.106  -3.422  -0.340
   53    HA   TRP  10           HA       TRP  10   0.426  -5.775   1.086
   54   1HB   TRP  10          HB2       TRP  10   2.737  -6.017   1.727
   55   2HB   TRP  10          HB1       TRP  10   2.655  -5.532   0.003
   56    HD1  TRP  10           HD1      TRP  10   3.634  -2.986  -0.557
   57    HE1  TRP  10           HE1      TRP  10   4.826  -1.246   0.842
   58    HE3  TRP  10           HE3      TRP  10   3.372  -5.300   3.975
   59    HZ2  TRP  10           HZ2      TRP  10   6.090  -1.133   3.443
   60    HZ3  TRP  10           HZ3      TRP  10   4.584  -4.327   5.893
   61    HH2  TRP  10           HH2      TRP  10   5.931  -2.273   5.631
   62    H    ARG  11           HN       ARG  11   0.546  -2.406   2.012
   63    HA   ARG  11           HA       ARG  11   0.973  -2.951   4.817
   64   1HB   ARG  11          HB2       ARG  11   0.008  -0.334   3.501
   65   2HB   ARG  11          HB1       ARG  11   0.664  -0.547   5.160
   66   1HG   ARG  11          HG2       ARG  11   2.863  -1.292   4.105
   67   2HG   ARG  11          HG1       ARG  11   2.208  -0.845   2.498
   68   1HD   ARG  11          HD2       ARG  11   2.652   1.051   4.909
   69   2HD   ARG  11          HD1       ARG  11   3.625   0.988   3.374
   70    HE   ARG  11           HE       ARG  11   0.851   1.405   2.710
   71   1HH1  ARG  11          HH21      ARG  11   3.570   3.110   4.292
   72   2HH1  ARG  11          HH22      ARG  11   2.967   4.692   3.926
   73   1HH2  ARG  11          HH11      ARG  11   0.058   3.547   2.231
   74   2HH2  ARG  11          HH12      ARG  11   0.943   4.943   2.753
   75    H    CYS  12           HN       CYS  12  -1.628  -2.096   2.512
   76    HA   CYS  12           HA       CYS  12  -3.661  -1.991   4.495
   77   1HB   CYS  12          HB2       CYS  12  -4.012  -2.735   1.535
   78   2HB   CYS  12          HB1       CYS  12  -5.297  -2.231   2.680
   79   1HN   NH2  13          H1        NH2  13  -3.314  -5.890   3.069
   80   2HN   NH2  13          H2        NH2  13  -2.617  -4.592   2.149
  Start of MODEL   13
    1   1H    GLY   1          HT1       GLY   1  -6.912   3.057  -5.839
    2   2H    GLY   1          HT2       GLY   1  -6.399   4.666  -5.971
    3   3H    GLY   1          HT3       GLY   1  -8.049   4.322  -5.753
    4   1HA   GLY   1          HA2       GLY   1  -6.955   5.118  -3.753
    5   2HA   GLY   1          HA1       GLY   1  -7.624   3.435  -3.599
    6    H    CYS   2           HN       CYS   2  -5.691   4.268  -1.782
    7    HA   CYS   2           HA       CYS   2  -3.062   3.993  -2.535
    8   1HB   CYS   2          HB2       CYS   2  -4.099   4.806  -0.273
    9   2HB   CYS   2          HB1       CYS   2  -4.098   3.109   0.241
   10    H    CYS   3           HN       CYS   3  -5.246   1.577  -1.078
   11    HA   CYS   3           HA       CYS   3  -3.414  -0.471  -0.953
   12   1HB   CYS   3          HB2       CYS   3  -6.456  -0.765  -1.259
   13   2HB   CYS   3          HB1       CYS   3  -5.333  -1.991  -0.581
   14    H    SER   4           HN       SER   4  -4.978   0.730  -3.821
   15    HA   SER   4           HA       SER   4  -4.791  -1.768  -5.231
   16   1HB   SER   4          HB2       SER   4  -5.245   1.052  -6.379
   17   2HB   SER   4          HB1       SER   4  -5.656  -0.539  -7.135
   18    HG   SER   4           HG       SER   4  -7.484   0.321  -6.231
   19    H    ASP   5           HN       ASP   5  -2.544   0.719  -4.257
   20    HA   ASP   5           HA       ASP   5  -0.956   0.432  -6.670
   21   1HB   ASP   5          HB2       ASP   5  -1.140   2.700  -5.694
   22   2HB   ASP   5          HB1       ASP   5  -0.444   2.102  -4.147
   23    HA   PRO   6           HA       PRO   6   0.748  -3.040  -4.562
   24   1HB   PRO   6          HB2       PRO   6   3.349  -2.350  -6.091
   25   2HB   PRO   6          HB1       PRO   6   2.589  -3.981  -5.895
   26   1HG   PRO   6          HG1       PRO   6   2.213  -2.563  -8.213
   27   2HG   PRO   6          HG2       PRO   6   0.799  -3.393  -7.437
   28   1HD   PRO   6          HD1       PRO   6   1.519  -0.415  -7.329
   29   2HD   PRO   6          HD2       PRO   6  -0.103  -1.240  -7.464
   30    H    ARG   7           HN       ARG   7   2.564  -0.019  -4.405
   31    HA   ARG   7           HA       ARG   7   4.431  -1.014  -2.464
   32   1HB   ARG   7          HB2       ARG   7   3.832   1.869  -3.331
   33   2HB   ARG   7          HB1       ARG   7   5.268   1.327  -2.402
   34   1HG   ARG   7          HG2       ARG   7   6.035  -0.066  -4.294
   35   2HG   ARG   7          HG1       ARG   7   4.601   0.386  -5.276
   36   1HD   ARG   7          HD2       ARG   7   6.725   2.389  -4.253
   37   2HD   ARG   7          HD1       ARG   7   6.628   1.694  -5.933
   38    HE   ARG   7           HE       ARG   7   4.070   2.834  -5.182
   39   1HH1  ARG   7          HH11      ARG   7   7.385   3.790  -6.126
   40   2HH1  ARG   7          HH12      ARG   7   6.907   5.306  -6.798
   41   1HH2  ARG   7          HH21      ARG   7   3.435   4.866  -6.085
   42   2HH2  ARG   7          HH22      ARG   7   4.611   5.930  -6.776
   43    H    CYS   8           HN       CYS   8   1.217  -0.126  -2.318
   44    HA   CYS   8           HA       CYS   8   1.449   0.730   0.497
   45   1HB   CYS   8          HB2       CYS   8   0.582   2.564  -0.951
   46   2HB   CYS   8          HB1       CYS   8  -0.661   1.460  -1.580
   47    H    ALA   9           HN       ALA   9  -0.302  -1.195  -2.003
   48    HA   ALA   9           HA       ALA   9  -2.247  -2.402  -0.869
   49   1HB   ALA   9          HB1       ALA   9  -1.724  -4.489  -2.148
   50   2HB   ALA   9          HB2       ALA   9  -0.020  -3.922  -2.351
   51   3HB   ALA   9          HB3       ALA   9  -1.377  -3.011  -3.107
   52    H    TRP  10           HN       TRP  10   1.038  -3.664  -0.212
   53    HA   TRP  10           HA       TRP  10   0.382  -5.756   1.425
   54   1HB   TRP  10          HB2       TRP  10   2.699  -5.623   2.350
   55   2HB   TRP  10          HB1       TRP  10   2.645  -5.560   0.568
   56    HD1  TRP  10           HD1      TRP  10   2.333  -2.361   0.076
   57    HE1  TRP  10           HE1      TRP  10   4.196  -0.800   0.639
   58    HE3  TRP  10           HE3      TRP  10   4.848  -5.448   3.288
   59    HZ2  TRP  10           HZ2      TRP  10   6.599  -0.868   2.284
   60    HZ3  TRP  10           HZ3      TRP  10   6.962  -4.654   4.281
   61    HH2  TRP  10           HH2      TRP  10   7.837  -2.406   3.779
   62    H    ARG  11           HN       ARG  11   0.433  -2.303   2.264
   63    HA   ARG  11           HA       ARG  11   0.676  -2.729   5.087
   64   1HB   ARG  11          HB2       ARG  11  -0.334  -0.247   3.558
   65   2HB   ARG  11          HB1       ARG  11   0.252  -0.287   5.256
   66   1HG   ARG  11          HG2       ARG  11   2.565  -0.795   4.432
   67   2HG   ARG  11          HG1       ARG  11   1.946  -0.897   2.744
   68   1HD   ARG  11          HD2       ARG  11   1.202   1.512   2.868
   69   2HD   ARG  11          HD1       ARG  11   1.999   1.648   4.495
   70    HE   ARG  11           HE       ARG  11   3.983   0.581   2.820
   71   1HH1  ARG  11          HH21      ARG  11   1.913   3.497   2.764
   72   2HH1  ARG  11          HH22      ARG  11   3.063   4.470   1.913
   73   1HH2  ARG  11          HH11      ARG  11   5.511   1.903   1.653
   74   2HH2  ARG  11          HH12      ARG  11   5.145   3.557   1.287
   75    H    CYS  12           HN       CYS  12  -1.824  -2.825   2.658
   76    HA   CYS  12           HA       CYS  12  -3.946  -2.283   4.582
   77   1HB   CYS  12          HB2       CYS  12  -4.201  -3.120   1.646
   78   2HB   CYS  12          HB1       CYS  12  -5.494  -2.509   2.727
   79   1HN   NH2  13          H1        NH2  13  -1.939  -4.904   4.062
   80   2HN   NH2  13          H2        NH2  13  -3.078  -6.181   4.348
  Start of MODEL   14
    1   1H    GLY   1          HT1       GLY   1  -6.927   4.135  -4.824
    2   2H    GLY   1          HT2       GLY   1  -5.901   5.483  -4.724
    3   3H    GLY   1          HT3       GLY   1  -7.561   5.656  -4.402
    4   1HA   GLY   1          HA2       GLY   1  -6.209   5.654  -2.414
    5   2HA   GLY   1          HA1       GLY   1  -7.392   4.276  -2.496
    6    H    CYS   2           HN       CYS   2  -5.058   4.315  -0.833
    7    HA   CYS   2           HA       CYS   2  -2.689   3.487  -1.495
    8   1HB   CYS   2          HB2       CYS   2  -3.540   3.739   0.851
    9   2HB   CYS   2          HB1       CYS   2  -4.429   2.219   0.726
   10    H    CYS   3           HN       CYS   3  -5.228   1.120  -0.847
   11    HA   CYS   3           HA       CYS   3  -3.729  -1.090  -1.348
   12   1HB   CYS   3          HB2       CYS   3  -6.766  -1.048  -1.633
   13   2HB   CYS   3          HB1       CYS   3  -5.731  -2.409  -1.106
   14    H    SER   4           HN       SER   4  -4.696   0.972  -3.828
   15    HA   SER   4           HA       SER   4  -5.160  -1.127  -5.780
   16   1HB   SER   4          HB2       SER   4  -5.228   0.724  -7.446
   17   2HB   SER   4          HB1       SER   4  -6.388   1.004  -6.098
   18    HG   SER   4           HG       SER   4  -4.941   2.508  -5.205
   19    H    ASP   5           HN       ASP   5  -2.476   0.756  -4.390
   20    HA   ASP   5           HA       ASP   5  -0.833   0.161  -6.732
   21   1HB   ASP   5          HB2       ASP   5  -0.953   2.528  -6.030
   22   2HB   ASP   5          HB1       ASP   5  -0.406   2.088  -4.370
   23    HA   PRO   6           HA       PRO   6   0.394  -3.118  -4.073
   24   1HB   PRO   6          HB2       PRO   6   2.702  -4.119  -5.354
   25   2HB   PRO   6          HB1       PRO   6   1.029  -4.321  -5.994
   26   1HG   PRO   6          HG1       PRO   6   3.078  -2.172  -6.751
   27   2HG   PRO   6          HG2       PRO   6   2.083  -3.206  -7.855
   28   1HD   PRO   6          HD1       PRO   6   1.313  -0.631  -7.197
   29   2HD   PRO   6          HD2       PRO   6   0.057  -1.945  -7.319
   30    H    ARG   7           HN       ARG   7   2.449  -0.382  -4.513
   31    HA   ARG   7           HA       ARG   7   4.443  -1.286  -2.616
   32   1HB   ARG   7          HB2       ARG   7   4.185   1.497  -3.858
   33   2HB   ARG   7          HB1       ARG   7   5.645   0.755  -3.133
   34   1HG   ARG   7          HG2       ARG   7   4.288  -0.157  -5.775
   35   2HG   ARG   7          HG1       ARG   7   5.657   0.971  -5.627
   36   1HD   ARG   7          HD2       ARG   7   6.537  -1.178  -6.283
   37   2HD   ARG   7          HD1       ARG   7   7.073  -0.849  -4.581
   38    HE   ARG   7           HE       ARG   7   4.741  -2.308  -4.239
   39   1HH1  ARG   7          HH11      ARG   7   7.712  -2.927  -6.152
   40   2HH1  ARG   7          HH12      ARG   7   7.675  -4.635  -5.874
   41   1HH2  ARG   7          HH21      ARG   7   4.733  -4.580  -3.876
   42   2HH2  ARG   7          HH22      ARG   7   5.942  -5.593  -4.593
   43    H    CYS   8           HN       CYS   8   1.350  -0.022  -2.483
   44    HA   CYS   8           HA       CYS   8   1.870   1.082   0.204
   45   1HB   CYS   8          HB2       CYS   8   0.870   2.703  -1.496
   46   2HB   CYS   8          HB1       CYS   8  -0.553   1.634  -1.604
   47    H    ALA   9           HN       ALA   9  -0.186  -0.959  -1.943
   48    HA   ALA   9           HA       ALA   9  -2.049  -1.714  -0.252
   49   1HB   ALA   9          HB1       ALA   9  -0.841  -3.593  -2.360
   50   2HB   ALA   9          HB2       ALA   9  -1.984  -2.247  -2.722
   51   3HB   ALA   9          HB3       ALA   9  -2.524  -3.634  -1.717
   52    H    TRP  10           HN       TRP  10   1.175  -2.959   0.114
   53    HA   TRP  10           HA       TRP  10   0.563  -5.382   1.420
   54   1HB   TRP  10          HB2       TRP  10   2.815  -5.142   2.548
   55   2HB   TRP  10          HB1       TRP  10   2.869  -5.008   0.764
   56    HD1  TRP  10           HD1      TRP  10   3.024  -2.357  -0.215
   57    HE1  TRP  10           HE1      TRP  10   4.228  -0.341   0.704
   58    HE3  TRP  10           HE3      TRP  10   3.619  -4.058   4.548
   59    HZ2  TRP  10           HZ2      TRP  10   5.466   0.400   3.232
   60    HZ3  TRP  10           HZ3      TRP  10   4.836  -2.658   6.184
   61    HH2  TRP  10           HH2      TRP  10   5.738  -0.456   5.539
   62    H    ARG  11           HN       ARG  11   0.440  -1.988   2.397
   63    HA   ARG  11           HA       ARG  11   0.330  -2.421   5.178
   64   1HB   ARG  11          HB2       ARG  11  -0.761  -0.104   3.465
   65   2HB   ARG  11          HB1       ARG  11  -0.546  -0.057   5.250
   66   1HG   ARG  11          HG2       ARG  11   1.892  -0.235   5.024
   67   2HG   ARG  11          HG1       ARG  11   1.764  -0.525   3.255
   68   1HD   ARG  11          HD2       ARG  11   0.817   1.740   2.885
   69   2HD   ARG  11          HD1       ARG  11   0.973   2.112   4.661
   70    HE   ARG  11           HE       ARG  11   3.514   1.261   3.997
   71   1HH1  ARG  11          HH11      ARG  11   1.368   3.706   2.485
   72   2HH1  ARG  11          HH12      ARG  11   2.683   4.694   1.943
   73   1HH2  ARG  11          HH21      ARG  11   5.240   2.592   3.221
   74   2HH2  ARG  11          HH22      ARG  11   4.906   4.048   2.348
   75    H    CYS  12           HN       CYS  12  -1.932  -2.902   2.564
   76    HA   CYS  12           HA       CYS  12  -4.263  -2.718   4.306
   77   1HB   CYS  12          HB2       CYS  12  -4.169  -3.572   1.362
   78   2HB   CYS  12          HB1       CYS  12  -5.608  -3.140   2.336
   79   1HN   NH2  13          H1        NH2  13  -1.789  -4.971   3.833
   80   2HN   NH2  13          H2        NH2  13  -2.710  -6.435   3.912
  Start of MODEL   15
    1   1H    GLY   1          HT1       GLY   1  -6.493   6.042  -4.574
    2   2H    GLY   1          HT2       GLY   1  -7.906   5.496  -5.343
    3   3H    GLY   1          HT3       GLY   1  -6.382   5.005  -5.911
    4   1HA   GLY   1          HA2       GLY   1  -7.528   4.355  -3.284
    5   2HA   GLY   1          HA1       GLY   1  -7.420   3.252  -4.719
    6    H    CYS   2           HN       CYS   2  -5.939   4.038  -1.801
    7    HA   CYS   2           HA       CYS   2  -3.222   4.052  -2.546
    8   1HB   CYS   2          HB2       CYS   2  -4.311   4.801  -0.300
    9   2HB   CYS   2          HB1       CYS   2  -4.315   3.096   0.185
   10    H    CYS   3           HN       CYS   3  -5.383   1.567  -1.193
   11    HA   CYS   3           HA       CYS   3  -3.506  -0.495  -1.199
   12   1HB   CYS   3          HB2       CYS   3  -6.571  -0.745  -1.235
   13   2HB   CYS   3          HB1       CYS   3  -5.414  -1.954  -0.606
   14    H    SER   4           HN       SER   4  -4.474   0.901  -3.932
   15    HA   SER   4           HA       SER   4  -4.763  -1.589  -5.454
   16   1HB   SER   4          HB2       SER   4  -5.158   1.319  -6.388
   17   2HB   SER   4          HB1       SER   4  -5.597  -0.185  -7.285
   18    HG   SER   4           HG       SER   4  -7.154  -0.579  -5.700
   19    H    ASP   5           HN       ASP   5  -2.446   0.676  -4.268
   20    HA   ASP   5           HA       ASP   5  -0.750   0.365  -6.632
   21   1HB   ASP   5          HB2       ASP   5  -0.975   2.696  -5.721
   22   2HB   ASP   5          HB1       ASP   5  -0.428   2.120  -4.107
   23    HA   PRO   6           HA       PRO   6   0.460  -3.056  -4.259
   24   1HB   PRO   6          HB2       PRO   6   3.034  -3.721  -5.259
   25   2HB   PRO   6          HB1       PRO   6   1.484  -4.013  -6.134
   26   1HG   PRO   6          HG1       PRO   6   3.391  -1.634  -6.426
   27   2HG   PRO   6          HG2       PRO   6   2.616  -2.621  -7.735
   28   1HD   PRO   6          HD1       PRO   6   1.572  -0.190  -6.950
   29   2HD   PRO   6          HD2       PRO   6   0.444  -1.573  -7.321
   30    H    ARG   7           HN       ARG   7   2.551  -0.262  -4.171
   31    HA   ARG   7           HA       ARG   7   4.239  -1.268  -2.078
   32   1HB   ARG   7          HB2       ARG   7   3.958   1.599  -3.155
   33   2HB   ARG   7          HB1       ARG   7   5.276   0.976  -2.101
   34   1HG   ARG   7          HG2       ARG   7   5.990  -0.612  -3.874
   35   2HG   ARG   7          HG1       ARG   7   4.714   0.001  -4.981
   36   1HD   ARG   7          HD2       ARG   7   7.008   1.706  -3.791
   37   2HD   ARG   7          HD1       ARG   7   6.966   1.003  -5.474
   38    HE   ARG   7           HE       ARG   7   4.561   2.517  -5.073
   39   1HH1  ARG   7          HH21      ARG   7   8.090   3.040  -5.316
   40   2HH1  ARG   7          HH22      ARG   7   7.949   4.626  -5.999
   41   1HH2  ARG   7          HH11      ARG   7   4.392   4.662  -6.001
   42   2HH2  ARG   7          HH12      ARG   7   5.820   5.558  -6.392
   43    H    CYS   8           HN       CYS   8   1.107  -0.083  -2.201
   44    HA   CYS   8           HA       CYS   8   1.229   0.735   0.636
   45   1HB   CYS   8          HB2       CYS   8   0.406   2.550  -0.855
   46   2HB   CYS   8          HB1       CYS   8  -0.816   1.439  -1.523
   47    H    ALA   9           HN       ALA   9  -0.301  -1.295  -1.922
   48    HA   ALA   9           HA       ALA   9  -2.320  -2.353  -0.491
   49   1HB   ALA   9          HB1       ALA   9  -1.986  -2.783  -2.933
   50   2HB   ALA   9          HB2       ALA   9  -2.284  -4.304  -2.026
   51   3HB   ALA   9          HB3       ALA   9  -0.610  -3.883  -2.535
   52    H    TRP  10           HN       TRP  10   1.105  -3.383  -0.267
   53    HA   TRP  10           HA       TRP  10   0.523  -5.716   1.214
   54   1HB   TRP  10          HB2       TRP  10   2.863  -5.855   1.807
   55   2HB   TRP  10          HB1       TRP  10   2.722  -5.392   0.079
   56    HD1  TRP  10           HD1      TRP  10   3.053  -2.516  -0.294
   57    HE1  TRP  10           HE1      TRP  10   4.588  -0.907   0.907
   58    HE3  TRP  10           HE3      TRP  10   4.121  -5.450   3.720
   59    HZ2  TRP  10           HZ2      TRP  10   6.334  -0.990   3.233
   60    HZ3  TRP  10           HZ3      TRP  10   5.715  -4.629   5.426
   61    HH2  TRP  10           HH2      TRP  10   6.798  -2.425   5.185
   62    H    ARG  11           HN       ARG  11   0.477  -2.341   2.124
   63    HA   ARG  11           HA       ARG  11   0.942  -2.858   4.933
   64   1HB   ARG  11          HB2       ARG  11  -0.163  -0.282   3.651
   65   2HB   ARG  11          HB1       ARG  11   0.644  -0.465   5.247
   66   1HG   ARG  11          HG2       ARG  11   2.808  -0.979   4.050
   67   2HG   ARG  11          HG1       ARG  11   1.957  -0.849   2.474
   68   1HD   ARG  11          HD2       ARG  11   1.337   1.556   3.039
   69   2HD   ARG  11          HD1       ARG  11   2.404   1.460   4.496
   70    HE   ARG  11           HE       ARG  11   3.210   1.291   1.586
   71   1HH1  ARG  11          HH11      ARG  11   4.298   1.339   5.005
   72   2HH1  ARG  11          HH12      ARG  11   5.958   1.588   4.591
   73   1HH2  ARG  11          HH21      ARG  11   5.408   1.642   1.077
   74   2HH2  ARG  11          HH22      ARG  11   6.604   1.766   2.323
   75    H    CYS  12           HN       CYS  12  -1.630  -2.172   2.569
   76    HA   CYS  12           HA       CYS  12  -3.744  -2.057   4.442
   77   1HB   CYS  12          HB2       CYS  12  -3.935  -2.928   1.498
   78   2HB   CYS  12          HB1       CYS  12  -5.282  -2.406   2.558
   79   1HN   NH2  13          H1        NH2  13  -2.550  -4.710   2.240
   80   2HN   NH2  13          H2        NH2  13  -3.290  -5.996   3.149
  Start of MODEL   16
    1   1H    GLY   1          HT1       GLY   1  -6.477   5.370  -5.633
    2   2H    GLY   1          HT2       GLY   1  -8.062   4.754  -5.678
    3   3H    GLY   1          HT3       GLY   1  -6.738   3.743  -6.030
    4   1HA   GLY   1          HA2       GLY   1  -7.209   5.042  -3.443
    5   2HA   GLY   1          HA1       GLY   1  -7.611   3.323  -3.858
    6    H    CYS   2           HN       CYS   2  -5.821   4.148  -1.724
    7    HA   CYS   2           HA       CYS   2  -3.142   4.077  -2.552
    8   1HB   CYS   2          HB2       CYS   2  -4.172   4.867  -0.280
    9   2HB   CYS   2          HB1       CYS   2  -4.168   3.167   0.223
   10    H    CYS   3           HN       CYS   3  -5.318   1.645  -1.139
   11    HA   CYS   3           HA       CYS   3  -3.476  -0.413  -1.012
   12   1HB   CYS   3          HB2       CYS   3  -6.537  -0.657  -1.247
   13   2HB   CYS   3          HB1       CYS   3  -5.424  -1.885  -0.563
   14    H    SER   4           HN       SER   4  -4.935   0.841  -3.833
   15    HA   SER   4           HA       SER   4  -4.989  -1.582  -5.331
   16   1HB   SER   4          HB2       SER   4  -4.813   1.336  -6.326
   17   2HB   SER   4          HB1       SER   4  -5.410  -0.104  -7.244
   18    HG   SER   4           HG       SER   4  -7.128   1.063  -6.444
   19    H    ASP   5           HN       ASP   5  -2.554   0.830  -4.308
   20    HA   ASP   5           HA       ASP   5  -0.911   0.298  -6.623
   21   1HB   ASP   5          HB2       ASP   5  -1.033   2.610  -5.738
   22   2HB   ASP   5          HB1       ASP   5  -0.371   2.055  -4.158
   23    HA   PRO   6           HA       PRO   6   0.624  -3.142  -4.411
   24   1HB   PRO   6          HB2       PRO   6   3.316  -2.582  -5.818
   25   2HB   PRO   6          HB1       PRO   6   2.485  -4.179  -5.622
   26   1HG   PRO   6          HG1       PRO   6   2.268  -2.804  -7.982
   27   2HG   PRO   6          HG2       PRO   6   0.795  -3.570  -7.253
   28   1HD   PRO   6          HD1       PRO   6   1.588  -0.612  -7.198
   29   2HD   PRO   6          HD2       PRO   6  -0.049  -1.402  -7.358
   30    H    ARG   7           HN       ARG   7   2.602  -0.208  -4.254
   31    HA   ARG   7           HA       ARG   7   4.206  -1.269  -2.099
   32   1HB   ARG   7          HB2       ARG   7   4.189   1.548  -3.330
   33   2HB   ARG   7          HB1       ARG   7   5.386   0.921  -2.154
   34   1HG   ARG   7          HG2       ARG   7   4.994   0.062  -5.083
   35   2HG   ARG   7          HG1       ARG   7   6.397   0.873  -4.325
   36   1HD   ARG   7          HD2       ARG   7   5.517  -2.070  -4.054
   37   2HD   ARG   7          HD1       ARG   7   7.092  -1.405  -4.659
   38    HE   ARG   7           HE       ARG   7   6.475  -0.675  -1.868
   39   1HH1  ARG   7          HH11      ARG   7   7.716  -3.333  -3.917
   40   2HH1  ARG   7          HH12      ARG   7   8.428  -4.196  -2.596
   41   1HH2  ARG   7          HH21      ARG   7   7.475  -1.829  -0.115
   42   2HH2  ARG   7          HH22      ARG   7   8.283  -3.330  -0.403
   43    H    CYS   8           HN       CYS   8   1.183  -0.181  -2.221
   44    HA   CYS   8           HA       CYS   8   1.320   0.730   0.583
   45   1HB   CYS   8          HB2       CYS   8   0.542   2.587  -0.875
   46   2HB   CYS   8          HB1       CYS   8  -0.709   1.528  -1.561
   47    H    ALA   9           HN       ALA   9  -0.308  -1.220  -1.981
   48    HA   ALA   9           HA       ALA   9  -2.271  -2.410  -0.682
   49   1HB   ALA   9          HB1       ALA   9  -1.677  -2.895  -3.069
   50   2HB   ALA   9          HB2       ALA   9  -1.977  -4.398  -2.136
   51   3HB   ALA   9          HB3       ALA   9  -0.284  -3.895  -2.502
   52    H    TRP  10           HN       TRP  10   1.171  -3.288  -0.203
   53    HA   TRP  10           HA       TRP  10   0.631  -5.643   1.233
   54   1HB   TRP  10          HB2       TRP  10   2.955  -5.581   2.036
   55   2HB   TRP  10          HB1       TRP  10   2.870  -5.240   0.279
   56    HD1  TRP  10           HD1      TRP  10   3.230  -2.543  -0.420
   57    HE1  TRP  10           HE1      TRP  10   4.298  -0.589   0.781
   58    HE3  TRP  10           HE3      TRP  10   3.801  -4.743   4.130
   59    HZ2  TRP  10           HZ2      TRP  10   5.648  -0.161   3.318
   60    HZ3  TRP  10           HZ3      TRP  10   4.997  -3.520   5.919
   61    HH2  TRP  10           HH2      TRP  10   5.904  -1.258   5.518
   62    H    ARG  11           HN       ARG  11   0.425  -2.263   2.185
   63    HA   ARG  11           HA       ARG  11   0.753  -2.778   5.006
   64   1HB   ARG  11          HB2       ARG  11  -0.418  -0.302   3.578
   65   2HB   ARG  11          HB1       ARG  11   0.151  -0.382   5.278
   66   1HG   ARG  11          HG2       ARG  11   2.494  -0.616   4.496
   67   2HG   ARG  11          HG1       ARG  11   1.939  -0.758   2.791
   68   1HD   ARG  11          HD2       ARG  11   0.912   1.555   2.950
   69   2HD   ARG  11          HD1       ARG  11   1.693   1.755   4.579
   70    HE   ARG  11           HE       ARG  11   3.828   0.995   3.016
   71   1HH1  ARG  11          HH21      ARG  11   1.303   3.488   2.528
   72   2HH1  ARG  11          HH22      ARG  11   2.323   4.525   1.590
   73   1HH2  ARG  11          HH11      ARG  11   5.165   2.395   1.729
   74   2HH2  ARG  11          HH12      ARG  11   4.560   3.912   1.158
   75    H    CYS  12           HN       CYS  12  -1.737  -2.382   2.523
   76    HA   CYS  12           HA       CYS  12  -3.896  -2.237   4.415
   77   1HB   CYS  12          HB2       CYS  12  -4.077  -2.890   1.420
   78   2HB   CYS  12          HB1       CYS  12  -5.413  -2.410   2.512
   79   1HN   NH2  13          H1        NH2  13  -2.676  -4.714   2.020
   80   2HN   NH2  13          H2        NH2  13  -3.478  -6.058   2.785
  Start of MODEL   17
    1   1H    GLY   1          HT1       GLY   1  -8.119   5.414  -5.425
    2   2H    GLY   1          HT2       GLY   1  -6.599   4.890  -5.981
    3   3H    GLY   1          HT3       GLY   1  -6.695   6.027  -4.725
    4   1HA   GLY   1          HA2       GLY   1  -7.670   4.445  -3.282
    5   2HA   GLY   1          HA1       GLY   1  -7.611   3.234  -4.634
    6    H    CYS   2           HN       CYS   2  -6.111   3.939  -1.804
    7    HA   CYS   2           HA       CYS   2  -3.408   4.146  -2.533
    8   1HB   CYS   2          HB2       CYS   2  -4.497   4.710  -0.259
    9   2HB   CYS   2          HB1       CYS   2  -4.520   2.977   0.115
   10    H    CYS   3           HN       CYS   3  -5.386   1.455  -1.303
   11    HA   CYS   3           HA       CYS   3  -3.394  -0.451  -1.357
   12   1HB   CYS   3          HB2       CYS   3  -6.401  -1.034  -1.535
   13   2HB   CYS   3          HB1       CYS   3  -5.127  -2.065  -0.810
   14    H    SER   4           HN       SER   4  -4.968   0.888  -4.057
   15    HA   SER   4           HA       SER   4  -4.875  -1.418  -5.737
   16   1HB   SER   4          HB2       SER   4  -4.970   1.568  -6.508
   17   2HB   SER   4          HB1       SER   4  -5.494   0.156  -7.507
   18    HG   SER   4           HG       SER   4  -7.244   1.175  -6.522
   19    H    ASP   5           HN       ASP   5  -2.553   0.827  -4.405
   20    HA   ASP   5           HA       ASP   5  -0.726   0.460  -6.653
   21   1HB   ASP   5          HB2       ASP   5  -1.005   2.786  -5.763
   22   2HB   ASP   5          HB1       ASP   5  -0.537   2.215  -4.123
   23    HA   PRO   6           HA       PRO   6   0.362  -2.977  -4.275
   24   1HB   PRO   6          HB2       PRO   6   2.931  -3.700  -5.222
   25   2HB   PRO   6          HB1       PRO   6   1.399  -3.910  -6.154
   26   1HG   PRO   6          HG1       PRO   6   3.382  -1.580  -6.323
   27   2HG   PRO   6          HG2       PRO   6   2.640  -2.523  -7.680
   28   1HD   PRO   6          HD1       PRO   6   1.594  -0.099  -6.898
   29   2HD   PRO   6          HD2       PRO   6   0.464  -1.468  -7.313
   30    H    ARG   7           HN       ARG   7   2.459  -0.215  -4.075
   31    HA   ARG   7           HA       ARG   7   4.153  -1.239  -2.008
   32   1HB   ARG   7          HB2       ARG   7   3.682   1.657  -2.928
   33   2HB   ARG   7          HB1       ARG   7   5.025   1.100  -1.878
   34   1HG   ARG   7          HG2       ARG   7   5.971  -0.267  -3.681
   35   2HG   ARG   7          HG1       ARG   7   4.600   0.099  -4.776
   36   1HD   ARG   7          HD2       ARG   7   6.560   2.224  -3.663
   37   2HD   ARG   7          HD1       ARG   7   6.647   1.460  -5.313
   38    HE   ARG   7           HE       ARG   7   3.995   2.498  -4.933
   39   1HH1  ARG   7          HH11      ARG   7   7.345   3.695  -5.315
   40   2HH1  ARG   7          HH12      ARG   7   6.869   5.182  -6.065
   41   1HH2  ARG   7          HH21      ARG   7   3.377   4.487  -5.942
   42   2HH2  ARG   7          HH22      ARG   7   4.577   5.638  -6.427
   43    H    CYS   8           HN       CYS   8   0.982   0.024  -2.160
   44    HA   CYS   8           HA       CYS   8   1.005   0.761   0.690
   45   1HB   CYS   8          HB2       CYS   8  -0.034   2.379  -0.977
   46   2HB   CYS   8          HB1       CYS   8  -1.175   1.082  -1.432
   47    H    ALA   9           HN       ALA   9  -0.355  -1.374  -1.840
   48    HA   ALA   9           HA       ALA   9  -2.296  -2.638  -0.563
   49   1HB   ALA   9          HB1       ALA   9  -0.285  -4.030  -2.413
   50   2HB   ALA   9          HB2       ALA   9  -1.691  -3.035  -2.953
   51   3HB   ALA   9          HB3       ALA   9  -1.968  -4.571  -2.063
   52    H    TRP  10           HN       TRP  10   1.180  -3.511  -0.157
   53    HA   TRP  10           HA       TRP  10   0.555  -5.876   1.276
   54   1HB   TRP  10          HB2       TRP  10   2.909  -6.073   1.839
   55   2HB   TRP  10          HB1       TRP  10   2.730  -5.630   0.112
   56    HD1  TRP  10           HD1      TRP  10   3.396  -2.938  -0.477
   57    HE1  TRP  10           HE1      TRP  10   4.763  -1.222   0.781
   58    HE3  TRP  10           HE3      TRP  10   3.880  -5.435   3.933
   59    HZ2  TRP  10           HZ2      TRP  10   6.354  -1.147   3.199
   60    HZ3  TRP  10           HZ3      TRP  10   5.315  -4.481   5.704
   61    HH2  TRP  10           HH2      TRP  10   6.536  -2.365   5.341
   62    H    ARG  11           HN       ARG  11   0.650  -2.536   2.222
   63    HA   ARG  11           HA       ARG  11   1.048  -3.146   5.047
   64   1HB   ARG  11          HB2       ARG  11   0.444  -0.477   3.607
   65   2HB   ARG  11          HB1       ARG  11   0.837  -0.673   5.352
   66   1HG   ARG  11          HG2       ARG  11   3.069  -1.619   4.734
   67   2HG   ARG  11          HG1       ARG  11   2.716  -1.368   2.995
   68   1HD   ARG  11          HD2       ARG  11   2.806   0.929   5.085
   69   2HD   ARG  11          HD1       ARG  11   4.201   0.398   4.074
   70    HE   ARG  11           HE       ARG  11   3.133   1.158   2.085
   71   1HH1  ARG  11          HH21      ARG  11   1.097   1.870   4.947
   72   2HH1  ARG  11          HH22      ARG  11   0.289   3.204   4.195
   73   1HH2  ARG  11          HH11      ARG  11   2.070   2.974   1.128
   74   2HH2  ARG  11          HH12      ARG  11   0.827   3.818   1.989
   75    H    CYS  12           HN       CYS  12  -1.301  -2.029   2.668
   76    HA   CYS  12           HA       CYS  12  -3.486  -1.598   4.349
   77   1HB   CYS  12          HB2       CYS  12  -3.245  -0.750   2.008
   78   2HB   CYS  12          HB1       CYS  12  -3.340  -2.425   1.392
   79   1HN   NH2  13          H1        NH2  13  -3.608  -5.616   3.242
   80   2HN   NH2  13          H2        NH2  13  -2.601  -4.525   2.340
  Start of MODEL   18
    1   1H    GLY   1          HT1       GLY   1  -9.202   3.510  -4.160
    2   2H    GLY   1          HT2       GLY   1  -8.272   2.199  -3.612
    3   3H    GLY   1          HT3       GLY   1  -7.827   3.016  -5.029
    4   1HA   GLY   1          HA2       GLY   1  -7.414   5.005  -3.792
    5   2HA   GLY   1          HA1       GLY   1  -7.806   4.076  -2.287
    6    H    CYS   2           HN       CYS   2  -5.742   4.361  -1.377
    7    HA   CYS   2           HA       CYS   2  -3.339   4.268  -2.605
    8   1HB   CYS   2          HB2       CYS   2  -3.994   4.916  -0.169
    9   2HB   CYS   2          HB1       CYS   2  -3.822   3.212   0.268
   10    H    CYS   3           HN       CYS   3  -5.028   1.621  -0.956
   11    HA   CYS   3           HA       CYS   3  -2.955  -0.261  -1.506
   12   1HB   CYS   3          HB2       CYS   3  -5.755  -0.642  -0.310
   13   2HB   CYS   3          HB1       CYS   3  -4.570  -1.969  -0.493
   14    H    SER   4           HN       SER   4  -4.431   1.001  -3.856
   15    HA   SER   4           HA       SER   4  -5.093  -1.467  -5.283
   16   1HB   SER   4          HB2       SER   4  -4.620   1.314  -6.534
   17   2HB   SER   4          HB1       SER   4  -5.560  -0.076  -7.199
   18    HG   SER   4           HG       SER   4  -6.125   1.760  -5.122
   19    H    ASP   5           HN       ASP   5  -2.493   0.831  -4.452
   20    HA   ASP   5           HA       ASP   5  -0.892   0.083  -6.734
   21   1HB   ASP   5          HB2       ASP   5  -1.066   2.475  -6.059
   22   2HB   ASP   5          HB1       ASP   5  -0.494   2.064  -4.405
   23    HA   PRO   6           HA       PRO   6   0.493  -3.134  -4.175
   24   1HB   PRO   6          HB2       PRO   6   2.947  -3.942  -5.331
   25   2HB   PRO   6          HB1       PRO   6   1.329  -4.234  -6.080
   26   1HG   PRO   6          HG1       PRO   6   3.254  -1.916  -6.652
   27   2HG   PRO   6          HG2       PRO   6   2.400  -2.985  -7.841
   28   1HD   PRO   6          HD1       PRO   6   1.388  -0.518  -7.184
   29   2HD   PRO   6          HD2       PRO   6   0.247  -1.932  -7.349
   30    H    ARG   7           HN       ARG   7   2.482  -0.325  -4.435
   31    HA   ARG   7           HA       ARG   7   4.430  -1.128  -2.496
   32   1HB   ARG   7          HB2       ARG   7   3.820   1.726  -3.448
   33   2HB   ARG   7          HB1       ARG   7   5.349   1.117  -2.737
   34   1HG   ARG   7          HG2       ARG   7   5.751  -0.290  -4.764
   35   2HG   ARG   7          HG1       ARG   7   4.209   0.268  -5.492
   36   1HD   ARG   7          HD2       ARG   7   6.615   2.092  -4.822
   37   2HD   ARG   7          HD1       ARG   7   6.135   1.477  -6.462
   38    HE   ARG   7           HE       ARG   7   4.105   2.995  -4.841
   39   1HH1  ARG   7          HH11      ARG   7   6.350   3.016  -7.640
   40   2HH1  ARG   7          HH12      ARG   7   5.538   4.329  -8.424
   41   1HH2  ARG   7          HH21      ARG   7   3.057   4.739  -5.921
   42   2HH2  ARG   7          HH22      ARG   7   3.659   5.324  -7.437
   43    H    CYS   8           HN       CYS   8   1.212  -0.074  -2.409
   44    HA   CYS   8           HA       CYS   8   1.495   0.892   0.365
   45   1HB   CYS   8          HB2       CYS   8   0.581   2.585  -1.316
   46   2HB   CYS   8          HB1       CYS   8  -0.769   1.458  -1.632
   47    H    ALA   9           HN       ALA   9  -0.207  -1.211  -2.010
   48    HA   ALA   9           HA       ALA   9  -2.226  -2.131  -0.556
   49   1HB   ALA   9          HB1       ALA   9  -1.843  -2.738  -2.956
   50   2HB   ALA   9          HB2       ALA   9  -2.267  -4.162  -1.950
   51   3HB   ALA   9          HB3       ALA   9  -0.551  -3.887  -2.427
   52    H    TRP  10           HN       TRP  10   1.102  -3.185  -0.071
   53    HA   TRP  10           HA       TRP  10   0.447  -5.475   1.429
   54   1HB   TRP  10          HB2       TRP  10   2.763  -5.472   2.256
   55   2HB   TRP  10          HB1       TRP  10   2.695  -5.224   0.479
   56    HD1  TRP  10           HD1      TRP  10   3.116  -2.526  -0.340
   57    HE1  TRP  10           HE1      TRP  10   4.422  -0.648   0.729
   58    HE3  TRP  10           HE3      TRP  10   3.709  -4.636   4.253
   59    HZ2  TRP  10           HZ2      TRP  10   5.891  -0.253   3.212
   60    HZ3  TRP  10           HZ3      TRP  10   5.122  -3.494   5.934
   61    HH2  TRP  10           HH2      TRP  10   6.192  -1.328   5.421
   62    H    ARG  11           HN       ARG  11   0.271  -2.053   2.244
   63    HA   ARG  11           HA       ARG  11   0.505  -2.439   5.068
   64   1HB   ARG  11          HB2       ARG  11  -0.843  -0.159   3.492
   65   2HB   ARG  11          HB1       ARG  11  -0.430  -0.123   5.235
   66   1HG   ARG  11          HG2       ARG  11   1.580  -0.316   2.896
   67   2HG   ARG  11          HG1       ARG  11   1.149   1.186   3.765
   68   1HD   ARG  11          HD2       ARG  11   2.483  -1.302   5.049
   69   2HD   ARG  11          HD1       ARG  11   3.342   0.215   4.553
   70    HE   ARG  11           HE       ARG  11   1.433   1.256   6.187
   71   1HH1  ARG  11          HH11      ARG  11   3.607  -1.551   6.645
   72   2HH1  ARG  11          HH12      ARG  11   3.763  -1.318   8.358
   73   1HH2  ARG  11          HH21      ARG  11   1.641   1.529   8.491
   74   2HH2  ARG  11          HH22      ARG  11   2.620   0.441   9.418
   75    H    CYS  12           HN       CYS  12  -1.932  -2.958   2.619
   76    HA   CYS  12           HA       CYS  12  -4.028  -3.145   4.667
   77   1HB   CYS  12          HB2       CYS  12  -4.186  -3.376   1.610
   78   2HB   CYS  12          HB1       CYS  12  -5.544  -3.650   2.740
   79   1HN   NH2  13          H1        NH2  13  -1.441  -5.031   3.827
   80   2HN   NH2  13          H2        NH2  13  -2.202  -6.582   3.818
  Start of MODEL   19
    1   1H    GLY   1          HT1       GLY   1  -6.811   4.018  -4.819
    2   2H    GLY   1          HT2       GLY   1  -5.928   5.469  -4.796
    3   3H    GLY   1          HT3       GLY   1  -7.582   5.476  -4.399
    4   1HA   GLY   1          HA2       GLY   1  -6.199   5.665  -2.464
    5   2HA   GLY   1          HA1       GLY   1  -7.163   4.131  -2.492
    6    H    CYS   2           HN       CYS   2  -5.391   3.702  -0.788
    7    HA   CYS   2           HA       CYS   2  -2.722   3.359  -1.477
    8   1HB   CYS   2          HB2       CYS   2  -3.641   3.492   0.873
    9   2HB   CYS   2          HB1       CYS   2  -4.441   1.933   0.672
   10    H    CYS   3           HN       CYS   3  -5.295   0.965  -1.010
   11    HA   CYS   3           HA       CYS   3  -3.677  -1.193  -1.433
   12   1HB   CYS   3          HB2       CYS   3  -6.690  -1.328  -1.863
   13   2HB   CYS   3          HB1       CYS   3  -5.599  -2.609  -1.242
   14    H    SER   4           HN       SER   4  -5.187   0.767  -3.874
   15    HA   SER   4           HA       SER   4  -5.119  -1.060  -5.985
   16   1HB   SER   4          HB2       SER   4  -4.858   1.630  -6.989
   17   2HB   SER   4          HB1       SER   4  -6.365   0.684  -6.761
   18    HG   SER   4           HG       SER   4  -5.168   2.566  -4.982
   19    H    ASP   5           HN       ASP   5  -2.544   0.680  -4.269
   20    HA   ASP   5           HA       ASP   5  -0.846   0.542  -6.655
   21   1HB   ASP   5          HB2       ASP   5  -1.004   2.758  -5.769
   22   2HB   ASP   5          HB1       ASP   5  -0.586   2.198  -4.104
   23    HA   PRO   6           HA       PRO   6   0.516  -3.040  -4.406
   24   1HB   PRO   6          HB2       PRO   6   3.042  -2.730  -6.158
   25   2HB   PRO   6          HB1       PRO   6   2.122  -4.247  -5.807
   26   1HG   PRO   6          HG1       PRO   6   1.753  -2.927  -8.181
   27   2HG   PRO   6          HG2       PRO   6   0.318  -3.565  -7.273
   28   1HD   PRO   6          HD1       PRO   6   1.316  -0.663  -7.390
   29   2HD   PRO   6          HD2       PRO   6  -0.378  -1.334  -7.374
   30    H    ARG   7           HN       ARG   7   2.625  -0.217  -4.636
   31    HA   ARG   7           HA       ARG   7   4.581  -1.209  -2.811
   32   1HB   ARG   7          HB2       ARG   7   4.037   1.723  -3.535
   33   2HB   ARG   7          HB1       ARG   7   5.569   1.021  -2.919
   34   1HG   ARG   7          HG2       ARG   7   5.815  -0.282  -5.060
   35   2HG   ARG   7          HG1       ARG   7   4.304   0.454  -5.694
   36   1HD   ARG   7          HD2       ARG   7   6.859   2.002  -4.902
   37   2HD   ARG   7          HD1       ARG   7   6.322   1.636  -6.588
   38    HE   ARG   7           HE       ARG   7   4.948   3.459  -4.595
   39   1HH1  ARG   7          HH11      ARG   7   5.143   2.232  -7.961
   40   2HH1  ARG   7          HH12      ARG   7   4.054   3.427  -8.581
   41   1HH2  ARG   7          HH21      ARG   7   3.550   5.069  -5.475
   42   2HH2  ARG   7          HH22      ARG   7   3.161   5.067  -7.163
   43    H    CYS   8           HN       CYS   8   1.459   0.035  -2.507
   44    HA   CYS   8           HA       CYS   8   1.880   0.949   0.260
   45   1HB   CYS   8          HB2       CYS   8   0.891   2.562  -1.472
   46   2HB   CYS   8          HB1       CYS   8  -0.511   1.475  -1.604
   47    H    ALA   9           HN       ALA   9  -0.075  -1.101  -1.964
   48    HA   ALA   9           HA       ALA   9  -2.035  -1.929  -0.508
   49   1HB   ALA   9          HB1       ALA   9  -0.402  -3.810  -2.310
   50   2HB   ALA   9          HB2       ALA   9  -1.639  -2.626  -2.877
   51   3HB   ALA   9          HB3       ALA   9  -2.139  -4.019  -1.862
   52    H    TRP  10           HN       TRP  10   1.174  -3.277   0.099
   53    HA   TRP  10           HA       TRP  10   0.371  -5.529   1.567
   54   1HB   TRP  10          HB2       TRP  10   2.687  -5.479   2.556
   55   2HB   TRP  10          HB1       TRP  10   2.673  -5.354   0.768
   56    HD1  TRP  10           HD1      TRP  10   3.059  -2.717  -0.233
   57    HE1  TRP  10           HE1      TRP  10   4.380  -0.778   0.674
   58    HE3  TRP  10           HE3      TRP  10   3.512  -4.411   4.546
   59    HZ2  TRP  10           HZ2      TRP  10   5.703  -0.121   3.192
   60    HZ3  TRP  10           HZ3      TRP  10   4.790  -3.068   6.183
   61    HH2  TRP  10           HH2      TRP  10   5.868  -0.950   5.516
   62    H    ARG  11           HN       ARG  11   0.321  -2.134   2.366
   63    HA   ARG  11           HA       ARG  11   0.407  -2.496   5.188
   64   1HB   ARG  11          HB2       ARG  11  -0.567  -0.124   3.487
   65   2HB   ARG  11          HB1       ARG  11  -0.248  -0.067   5.257
   66   1HG   ARG  11          HG2       ARG  11   2.161  -0.423   4.890
   67   2HG   ARG  11          HG1       ARG  11   1.892  -0.774   3.150
   68   1HD   ARG  11          HD2       ARG  11   1.023   1.565   2.800
   69   2HD   ARG  11          HD1       ARG  11   1.489   1.972   4.511
   70    HE   ARG  11           HE       ARG  11   3.813   0.869   3.501
   71   1HH1  ARG  11          HH11      ARG  11   1.659   3.443   2.247
   72   2HH1  ARG  11          HH12      ARG  11   2.922   4.259   1.392
   73   1HH2  ARG  11          HH21      ARG  11   5.485   1.990   2.345
   74   2HH2  ARG  11          HH22      ARG  11   5.130   3.438   1.467
   75    H    CYS  12           HN       CYS  12  -1.993  -2.940   2.679
   76    HA   CYS  12           HA       CYS  12  -4.246  -2.144   4.323
   77   1HB   CYS  12          HB2       CYS  12  -4.200  -3.573   1.599
   78   2HB   CYS  12          HB1       CYS  12  -5.655  -2.986   2.462
   79   1HN   NH2  13          H1        NH2  13  -3.092  -3.838   5.915
   80   2HN   NH2  13          H2        NH2  13  -3.806  -5.440   5.880
  Start of MODEL   20
    1   1H    GLY   1          HT1       GLY   1  -5.142   5.853  -4.847
    2   2H    GLY   1          HT2       GLY   1  -5.169   6.669  -3.361
    3   3H    GLY   1          HT3       GLY   1  -6.579   6.590  -4.310
    4   1HA   GLY   1          HA2       GLY   1  -6.627   5.091  -2.430
    5   2HA   GLY   1          HA1       GLY   1  -6.688   4.245  -4.039
    6    H    CYS   2           HN       CYS   2  -5.468   3.763  -1.070
    7    HA   CYS   2           HA       CYS   2  -2.693   3.471  -1.534
    8   1HB   CYS   2          HB2       CYS   2  -3.688   3.743   0.756
    9   2HB   CYS   2          HB1       CYS   2  -4.531   2.199   0.608
   10    H    CYS   3           HN       CYS   3  -5.262   1.069  -0.971
   11    HA   CYS   3           HA       CYS   3  -3.641  -1.085  -1.435
   12   1HB   CYS   3          HB2       CYS   3  -6.674  -1.203  -1.752
   13   2HB   CYS   3          HB1       CYS   3  -5.574  -2.506  -1.206
   14    H    SER   4           HN       SER   4  -5.015   0.938  -3.799
   15    HA   SER   4           HA       SER   4  -5.245  -0.850  -5.935
   16   1HB   SER   4          HB2       SER   4  -4.572   2.164  -5.995
   17   2HB   SER   4          HB1       SER   4  -5.456   1.206  -7.248
   18    HG   SER   4           HG       SER   4  -6.893   2.358  -5.987
   19    H    ASP   5           HN       ASP   5  -2.464   0.717  -4.313
   20    HA   ASP   5           HA       ASP   5  -0.829   0.277  -6.715
   21   1HB   ASP   5          HB2       ASP   5  -0.836   2.591  -5.972
   22   2HB   ASP   5          HB1       ASP   5  -0.334   2.105  -4.310
   23    HA   PRO   6           HA       PRO   6   0.354  -3.166  -4.213
   24   1HB   PRO   6          HB2       PRO   6   2.978  -3.076  -5.832
   25   2HB   PRO   6          HB1       PRO   6   1.965  -4.526  -5.440
   26   1HG   PRO   6          HG1       PRO   6   1.785  -3.334  -7.905
   27   2HG   PRO   6          HG2       PRO   6   0.276  -3.850  -7.044
   28   1HD   PRO   6          HD1       PRO   6   1.415  -1.011  -7.280
   29   2HD   PRO   6          HD2       PRO   6  -0.308  -1.604  -7.306
   30    H    ARG   7           HN       ARG   7   2.508  -0.424  -4.421
   31    HA   ARG   7           HA       ARG   7   4.325  -1.420  -2.396
   32   1HB   ARG   7          HB2       ARG   7   4.202   1.255  -3.898
   33   2HB   ARG   7          HB1       ARG   7   5.523   0.766  -2.789
   34   1HG   ARG   7          HG2       ARG   7   6.216  -1.052  -4.207
   35   2HG   ARG   7          HG1       ARG   7   4.783  -0.921  -5.269
   36   1HD   ARG   7          HD2       ARG   7   6.922   1.305  -5.012
   37   2HD   ARG   7          HD1       ARG   7   6.892   0.006  -6.286
   38    HE   ARG   7           HE       ARG   7   4.406   1.647  -5.945
   39   1HH1  ARG   7          HH11      ARG   7   7.409   1.096  -7.823
   40   2HH1  ARG   7          HH12      ARG   7   6.829   1.927  -9.225
   41   1HH2  ARG   7          HH21      ARG   7   3.656   2.733  -7.847
   42   2HH2  ARG   7          HH22      ARG   7   4.677   2.875  -9.237
   43    H    CYS   8           HN       CYS   8   1.308  -0.141  -2.379
   44    HA   CYS   8           HA       CYS   8   1.715   0.987   0.313
   45   1HB   CYS   8          HB2       CYS   8   0.863   2.644  -1.436
   46   2HB   CYS   8          HB1       CYS   8  -0.588   1.634  -1.608
   47    H    ALA   9           HN       ALA   9  -0.221  -1.054  -1.952
   48    HA   ALA   9           HA       ALA   9  -2.120  -1.962  -0.370
   49   1HB   ALA   9          HB1       ALA   9  -0.597  -3.755  -2.344
   50   2HB   ALA   9          HB2       ALA   9  -1.850  -2.544  -2.817
   51   3HB   ALA   9          HB3       ALA   9  -2.306  -3.957  -1.809
   52    H    TRP  10           HN       TRP  10   1.212  -3.034   0.064
   53    HA   TRP  10           HA       TRP  10   0.620  -5.402   1.474
   54   1HB   TRP  10          HB2       TRP  10   2.892  -5.198   2.506
   55   2HB   TRP  10          HB1       TRP  10   2.913  -5.018   0.721
   56    HD1  TRP  10           HD1      TRP  10   3.169  -2.397  -0.215
   57    HE1  TRP  10           HE1      TRP  10   4.275  -0.352   0.771
   58    HE3  TRP  10           HE3      TRP  10   3.518  -4.085   4.567
   59    HZ2  TRP  10           HZ2      TRP  10   5.385   0.401   3.368
   60    HZ3  TRP  10           HZ3      TRP  10   4.581  -2.653   6.282
   61    HH2  TRP  10           HH2      TRP  10   5.504  -0.443   5.688
   62    H    ARG  11           HN       ARG  11   0.419  -1.987   2.357
   63    HA   ARG  11           HA       ARG  11   0.444  -2.405   5.166
   64   1HB   ARG  11          HB2       ARG  11  -0.711  -0.050   3.552
   65   2HB   ARG  11          HB1       ARG  11  -0.306  -0.035   5.303
   66   1HG   ARG  11          HG2       ARG  11   2.114  -0.247   4.763
   67   2HG   ARG  11          HG1       ARG  11   1.727  -0.465   3.024
   68   1HD   ARG  11          HD2       ARG  11   0.638   1.853   3.025
   69   2HD   ARG  11          HD1       ARG  11   1.347   2.112   4.680
   70    HE   ARG  11           HE       ARG  11   3.447   1.178   2.988
   71   1HH1  ARG  11          HH21      ARG  11   1.267   4.012   3.170
   72   2HH1  ARG  11          HH22      ARG  11   2.371   5.079   2.368
   73   1HH2  ARG  11          HH11      ARG  11   4.902   2.625   1.893
   74   2HH2  ARG  11          HH12      ARG  11   4.467   4.281   1.635
   75    H    CYS  12           HN       CYS  12  -1.823  -2.840   2.572
   76    HA   CYS  12           HA       CYS  12  -4.162  -2.623   4.294
   77   1HB   CYS  12          HB2       CYS  12  -4.058  -3.593   1.380
   78   2HB   CYS  12          HB1       CYS  12  -5.502  -3.150   2.342
   79   1HN   NH2  13          H1        NH2  13  -2.590  -6.352   3.985
   80   2HN   NH2  13          H2        NH2  13  -1.673  -4.896   3.788
  Start of MODEL   21
    1   1H    GLY   1          HT1       GLY   1  -6.711   4.818  -4.902
    2   2H    GLY   1          HT2       GLY   1  -8.199   5.099  -4.133
    3   3H    GLY   1          HT3       GLY   1  -7.609   3.514  -4.293
    4   1HA   GLY   1          HA2       GLY   1  -6.321   5.664  -2.757
    5   2HA   GLY   1          HA1       GLY   1  -7.345   4.331  -2.076
    6    H    CYS   2           HN       CYS   2  -5.222   4.198  -0.808
    7    HA   CYS   2           HA       CYS   2  -2.780   3.512  -1.547
    8   1HB   CYS   2          HB2       CYS   2  -3.612   3.786   0.810
    9   2HB   CYS   2          HB1       CYS   2  -4.466   2.244   0.715
   10    H    CYS   3           HN       CYS   3  -5.352   1.202  -0.910
   11    HA   CYS   3           HA       CYS   3  -3.871  -1.066  -1.268
   12   1HB   CYS   3          HB2       CYS   3  -6.903  -0.957  -1.630
   13   2HB   CYS   3          HB1       CYS   3  -5.915  -2.338  -1.060
   14    H    SER   4           HN       SER   4  -4.743   0.943  -3.766
   15    HA   SER   4           HA       SER   4  -5.211  -1.048  -5.779
   16   1HB   SER   4          HB2       SER   4  -4.234   1.820  -6.328
   17   2HB   SER   4          HB1       SER   4  -5.314   0.778  -7.324
   18    HG   SER   4           HG       SER   4  -5.778   2.289  -4.984
   19    H    ASP   5           HN       ASP   5  -2.435   0.756  -4.328
   20    HA   ASP   5           HA       ASP   5  -0.836   0.125  -6.687
   21   1HB   ASP   5          HB2       ASP   5  -0.890   2.466  -6.047
   22   2HB   ASP   5          HB1       ASP   5  -0.314   2.068  -4.383
   23    HA   PRO   6           HA       PRO   6   0.522  -3.205  -4.156
   24   1HB   PRO   6          HB2       PRO   6   3.104  -3.048  -5.845
   25   2HB   PRO   6          HB1       PRO   6   2.180  -4.532  -5.377
   26   1HG   PRO   6          HG1       PRO   6   1.844  -3.440  -7.867
   27   2HG   PRO   6          HG2       PRO   6   0.391  -3.973  -6.924
   28   1HD   PRO   6          HD1       PRO   6   1.425  -1.107  -7.303
   29   2HD   PRO   6          HD2       PRO   6  -0.276  -1.759  -7.244
   30    H    ARG   7           HN       ARG   7   2.607  -0.409  -4.439
   31    HA   ARG   7           HA       ARG   7   4.472  -1.305  -2.424
   32   1HB   ARG   7          HB2       ARG   7   4.133   1.372  -3.893
   33   2HB   ARG   7          HB1       ARG   7   5.490   0.986  -2.786
   34   1HG   ARG   7          HG2       ARG   7   6.376  -0.705  -4.227
   35   2HG   ARG   7          HG1       ARG   7   4.920  -0.758  -5.270
   36   1HD   ARG   7          HD2       ARG   7   6.737   1.729  -5.000
   37   2HD   ARG   7          HD1       ARG   7   6.893   0.477  -6.310
   38    HE   ARG   7           HE       ARG   7   4.255   1.100  -6.543
   39   1HH1  ARG   7          HH21      ARG   7   7.090   3.265  -6.228
   40   2HH1  ARG   7          HH22      ARG   7   6.412   4.500  -7.237
   41   1HH2  ARG   7          HH11      ARG   7   3.374   2.777  -7.883
   42   2HH2  ARG   7          HH12      ARG   7   4.281   4.221  -8.183
   43    H    CYS   8           HN       CYS   8   1.363  -0.076  -2.401
   44    HA   CYS   8           HA       CYS   8   1.754   1.034   0.309
   45   1HB   CYS   8          HB2       CYS   8   0.913   2.671  -1.474
   46   2HB   CYS   8          HB1       CYS   8  -0.545   1.664  -1.636
   47    H    ALA   9           HN       ALA   9  -0.200  -0.969  -1.965
   48    HA   ALA   9           HA       ALA   9  -2.141  -1.762  -0.337
   49   1HB   ALA   9          HB1       ALA   9  -2.531  -3.659  -1.877
   50   2HB   ALA   9          HB2       ALA   9  -0.846  -3.526  -2.495
   51   3HB   ALA   9          HB3       ALA   9  -2.035  -2.214  -2.820
   52    H    TRP  10           HN       TRP  10   1.129  -2.974  -0.024
   53    HA   TRP  10           HA       TRP  10   0.444  -5.402   1.273
   54   1HB   TRP  10          HB2       TRP  10   2.765  -5.398   2.176
   55   2HB   TRP  10          HB1       TRP  10   2.718  -5.115   0.405
   56    HD1  TRP  10           HD1      TRP  10   3.024  -2.392  -0.344
   57    HE1  TRP  10           HE1      TRP  10   4.359  -0.527   0.702
   58    HE3  TRP  10           HE3      TRP  10   3.686  -4.546   4.213
   59    HZ2  TRP  10           HZ2      TRP  10   5.735  -0.087   3.222
   60    HZ3  TRP  10           HZ3      TRP  10   5.029  -3.360   5.920
   61    HH2  TRP  10           HH2      TRP  10   6.040  -1.164   5.430
   62    H    ARG  11           HN       ARG  11   0.365  -2.028   2.280
   63    HA   ARG  11           HA       ARG  11   0.422  -2.644   5.086
   64   1HB   ARG  11          HB2       ARG  11  -0.435  -0.100   3.567
   65   2HB   ARG  11          HB1       ARG  11  -0.278  -0.238   5.352
   66   1HG   ARG  11          HG2       ARG  11   2.140  -0.750   5.129
   67   2HG   ARG  11          HG1       ARG  11   2.032  -0.613   3.338
   68   1HD   ARG  11          HD2       ARG  11   1.443   1.774   3.468
   69   2HD   ARG  11          HD1       ARG  11   1.305   1.707   5.269
   70    HE   ARG  11           HE       ARG  11   3.798   1.759   3.640
   71   1HH1  ARG  11          HH11      ARG  11   2.373   1.133   6.873
   72   2HH1  ARG  11          HH12      ARG  11   3.876   1.335   7.710
   73   1HH2  ARG  11          HH21      ARG  11   5.793   2.017   4.800
   74   2HH2  ARG  11          HH22      ARG  11   5.835   1.841   6.522
   75    H    CYS  12           HN       CYS  12  -1.871  -2.603   2.466
   76    HA   CYS  12           HA       CYS  12  -4.188  -2.466   4.225
   77   1HB   CYS  12          HB2       CYS  12  -4.109  -3.287   1.256
   78   2HB   CYS  12          HB1       CYS  12  -5.558  -2.980   2.260
   79   1HN   NH2  13          H1        NH2  13  -2.496  -4.803   2.011
   80   2HN   NH2  13          H2        NH2  13  -2.983  -6.232   2.892
  Start of MODEL   22
    1   1H    GLY   1          HT1       GLY   1  -8.092   2.255  -4.769
    2   2H    GLY   1          HT2       GLY   1  -9.451   2.970  -4.040
    3   3H    GLY   1          HT3       GLY   1  -8.395   2.008  -3.117
    4   1HA   GLY   1          HA2       GLY   1  -7.751   4.572  -4.404
    5   2HA   GLY   1          HA1       GLY   1  -8.021   4.276  -2.633
    6    H    CYS   2           HN       CYS   2  -6.128   4.266  -1.552
    7    HA   CYS   2           HA       CYS   2  -3.637   4.297  -2.582
    8   1HB   CYS   2          HB2       CYS   2  -4.455   4.832  -0.194
    9   2HB   CYS   2          HB1       CYS   2  -4.355   3.103   0.186
   10    H    CYS   3           HN       CYS   3  -5.358   1.566  -1.191
   11    HA   CYS   3           HA       CYS   3  -3.332  -0.308  -1.278
   12   1HB   CYS   3          HB2       CYS   3  -6.349  -0.894  -1.331
   13   2HB   CYS   3          HB1       CYS   3  -5.059  -1.942  -0.664
   14    H    SER   4           HN       SER   4  -4.709   0.974  -3.986
   15    HA   SER   4           HA       SER   4  -4.912  -1.426  -5.566
   16   1HB   SER   4          HB2       SER   4  -4.456   1.435  -6.631
   17   2HB   SER   4          HB1       SER   4  -5.255   0.045  -7.456
   18    HG   SER   4           HG       SER   4  -6.125   1.785  -5.416
   19    H    ASP   5           HN       ASP   5  -2.478   0.972  -4.502
   20    HA   ASP   5           HA       ASP   5  -0.686   0.294  -6.647
   21   1HB   ASP   5          HB2       ASP   5  -0.797   2.626  -5.783
   22   2HB   ASP   5          HB1       ASP   5  -0.245   2.059  -4.166
   23    HA   PRO   6           HA       PRO   6   0.561  -3.168  -4.313
   24   1HB   PRO   6          HB2       PRO   6   3.381  -2.754  -5.488
   25   2HB   PRO   6          HB1       PRO   6   2.441  -4.296  -5.379
   26   1HG   PRO   6          HG1       PRO   6   2.531  -2.884  -7.733
   27   2HG   PRO   6          HG2       PRO   6   0.965  -3.603  -7.165
   28   1HD   PRO   6          HD1       PRO   6   1.864  -0.683  -7.001
   29   2HD   PRO   6          HD2       PRO   6   0.219  -1.401  -7.320
   30    H    ARG   7           HN       ARG   7   2.691  -0.347  -4.067
   31    HA   ARG   7           HA       ARG   7   4.134  -1.279  -1.806
   32   1HB   ARG   7          HB2       ARG   7   3.754   1.535  -2.992
   33   2HB   ARG   7          HB1       ARG   7   4.804   1.204  -1.592
   34   1HG   ARG   7          HG2       ARG   7   5.175   0.080  -4.440
   35   2HG   ARG   7          HG1       ARG   7   6.135   1.365  -3.631
   36   1HD   ARG   7          HD2       ARG   7   6.052  -1.640  -2.904
   37   2HD   ARG   7          HD1       ARG   7   7.445  -0.693  -3.554
   38    HE   ARG   7           HE       ARG   7   6.134  -0.217  -0.845
   39   1HH1  ARG   7          HH21      ARG   7   9.106  -0.369  -2.837
   40   2HH1  ARG   7          HH22      ARG   7  10.149   0.110  -1.539
   41   1HH2  ARG   7          HH11      ARG   7   7.561   0.395   0.880
   42   2HH2  ARG   7          HH12      ARG   7   9.263   0.544   0.593
   43    H    CYS   8           HN       CYS   8   1.010   0.124  -2.216
   44    HA   CYS   8           HA       CYS   8   0.921   0.845   0.642
   45   1HB   CYS   8          HB2       CYS   8   0.016   2.442  -1.153
   46   2HB   CYS   8          HB1       CYS   8  -1.252   1.223  -1.468
   47    H    ALA   9           HN       ALA   9  -0.376  -1.303  -1.923
   48    HA   ALA   9           HA       ALA   9  -2.383  -2.505  -0.606
   49   1HB   ALA   9          HB1       ALA   9  -0.464  -3.934  -2.535
   50   2HB   ALA   9          HB2       ALA   9  -1.831  -2.871  -3.039
   51   3HB   ALA   9          HB3       ALA   9  -2.164  -4.405  -2.165
   52    H    TRP  10           HN       TRP  10   1.091  -3.466  -0.385
   53    HA   TRP  10           HA       TRP  10   0.471  -5.793   1.105
   54   1HB   TRP  10          HB2       TRP  10   2.785  -6.090   1.635
   55   2HB   TRP  10          HB1       TRP  10   2.667  -5.552  -0.072
   56    HD1  TRP  10           HD1      TRP  10   3.566  -2.952  -0.540
   57    HE1  TRP  10           HE1      TRP  10   4.869  -1.294   0.874
   58    HE3  TRP  10           HE3      TRP  10   3.694  -5.574   3.815
   59    HZ2  TRP  10           HZ2      TRP  10   6.353  -1.359   3.357
   60    HZ3  TRP  10           HZ3      TRP  10   5.090  -4.745   5.679
   61    HH2  TRP  10           HH2      TRP  10   6.401  -2.663   5.452
   62    H    ARG  11           HN       ARG  11   0.637  -2.430   2.022
   63    HA   ARG  11           HA       ARG  11   1.082  -3.012   4.826
   64   1HB   ARG  11          HB2       ARG  11   0.335  -0.353   3.463
   65   2HB   ARG  11          HB1       ARG  11   0.858  -0.580   5.170
   66   1HG   ARG  11          HG2       ARG  11   3.067  -1.499   4.317
   67   2HG   ARG  11          HG1       ARG  11   2.570  -1.077   2.645
   68   1HD   ARG  11          HD2       ARG  11   2.915   0.887   5.011
   69   2HD   ARG  11          HD1       ARG  11   4.056   0.686   3.611
   70    HE   ARG  11           HE       ARG  11   1.843   1.265   2.223
   71   1HH1  ARG  11          HH11      ARG  11   2.984   2.812   5.249
   72   2HH1  ARG  11          HH12      ARG  11   2.195   4.318   4.925
   73   1HH2  ARG  11          HH21      ARG  11   0.773   3.293   1.835
   74   2HH2  ARG  11          HH22      ARG  11   0.944   4.601   2.958
   75    H    CYS  12           HN       CYS  12  -1.492  -2.020   2.534
   76    HA   CYS  12           HA       CYS  12  -3.540  -1.842   4.457
   77   1HB   CYS  12          HB2       CYS  12  -3.842  -2.822   1.557
   78   2HB   CYS  12          HB1       CYS  12  -5.158  -2.272   2.645
   79   1HN   NH2  13          H1        NH2  13  -3.127  -5.848   3.424
   80   2HN   NH2  13          H2        NH2  13  -2.413  -4.625   2.410
  Start of MODEL   23
    1   1H    GLY   1          HT1       GLY   1  -7.695   6.165  -5.042
    2   2H    GLY   1          HT2       GLY   1  -6.077   5.958  -5.525
    3   3H    GLY   1          HT3       GLY   1  -6.436   6.402  -3.927
    4   1HA   GLY   1          HA2       GLY   1  -7.504   4.323  -3.540
    5   2HA   GLY   1          HA1       GLY   1  -7.104   3.865  -5.251
    6    H    CYS   2           HN       CYS   2  -5.912   4.158  -1.958
    7    HA   CYS   2           HA       CYS   2  -3.161   4.208  -2.637
    8   1HB   CYS   2          HB2       CYS   2  -4.268   4.999  -0.436
    9   2HB   CYS   2          HB1       CYS   2  -4.360   3.296   0.066
   10    H    CYS   3           HN       CYS   3  -5.290   1.725  -1.182
   11    HA   CYS   3           HA       CYS   3  -3.413  -0.302  -1.184
   12   1HB   CYS   3          HB2       CYS   3  -6.481  -0.548  -1.122
   13   2HB   CYS   3          HB1       CYS   3  -5.307  -1.759  -0.511
   14    H    SER   4           HN       SER   4  -4.798   0.944  -3.930
   15    HA   SER   4           HA       SER   4  -5.163  -1.470  -5.405
   16   1HB   SER   4          HB2       SER   4  -4.562   1.401  -6.395
   17   2HB   SER   4          HB1       SER   4  -5.344   0.065  -7.329
   18    HG   SER   4           HG       SER   4  -6.825   1.581  -6.493
   19    H    ASP   5           HN       ASP   5  -2.523   0.777  -4.467
   20    HA   ASP   5           HA       ASP   5  -0.887  -0.130  -6.680
   21   1HB   ASP   5          HB2       ASP   5  -1.034   2.294  -6.196
   22   2HB   ASP   5          HB1       ASP   5  -0.441   2.007  -4.518
   23    HA   PRO   6           HA       PRO   6   0.642  -3.192  -4.001
   24   1HB   PRO   6          HB2       PRO   6   3.380  -2.782  -5.357
   25   2HB   PRO   6          HB1       PRO   6   2.567  -4.352  -4.968
   26   1HG   PRO   6          HG1       PRO   6   2.426  -3.316  -7.497
   27   2HG   PRO   6          HG2       PRO   6   0.944  -4.025  -6.735
   28   1HD   PRO   6          HD1       PRO   6   1.648  -1.066  -7.077
   29   2HD   PRO   6          HD2       PRO   6   0.034  -1.913  -7.144
   30    H    ARG   7           HN       ARG   7   2.586  -0.263  -4.126
   31    HA   ARG   7           HA       ARG   7   4.341  -0.908  -2.012
   32   1HB   ARG   7          HB2       ARG   7   3.567   1.883  -3.050
   33   2HB   ARG   7          HB1       ARG   7   5.055   1.451  -2.142
   34   1HG   ARG   7          HG2       ARG   7   5.820   0.035  -4.059
   35   2HG   ARG   7          HG1       ARG   7   4.347   0.454  -4.990
   36   1HD   ARG   7          HD2       ARG   7   6.499   2.472  -4.048
   37   2HD   ARG   7          HD1       ARG   7   6.289   1.820  -5.734
   38    HE   ARG   7           HE       ARG   7   3.791   2.939  -4.825
   39   1HH1  ARG   7          HH21      ARG   7   7.057   3.971  -5.855
   40   2HH1  ARG   7          HH22      ARG   7   6.530   5.518  -6.429
   41   1HH2  ARG   7          HH11      ARG   7   3.107   5.017  -5.586
   42   2HH2  ARG   7          HH12      ARG   7   4.248   6.122  -6.276
   43    H    CYS   8           HN       CYS   8   1.094   0.032  -2.134
   44    HA   CYS   8           HA       CYS   8   1.109   0.898   0.690
   45   1HB   CYS   8          HB2       CYS   8   0.204   2.584  -0.971
   46   2HB   CYS   8          HB1       CYS   8  -0.990   1.366  -1.492
   47    H    ALA   9           HN       ALA   9  -0.442  -1.108  -1.885
   48    HA   ALA   9           HA       ALA   9  -2.395  -2.296  -0.495
   49   1HB   ALA   9          HB1       ALA   9  -1.950  -2.599  -2.981
   50   2HB   ALA   9          HB2       ALA   9  -2.376  -4.122  -2.126
   51   3HB   ALA   9          HB3       ALA   9  -0.663  -3.788  -2.547
   52    H    TRP  10           HN       TRP  10   1.045  -3.343  -0.460
   53    HA   TRP  10           HA       TRP  10   0.555  -5.733   0.911
   54   1HB   TRP  10          HB2       TRP  10   2.901  -5.859   1.466
   55   2HB   TRP  10          HB1       TRP  10   2.715  -5.310  -0.227
   56    HD1  TRP  10           HD1      TRP  10   2.504  -2.120   0.222
   57    HE1  TRP  10           HE1      TRP  10   4.497  -0.805   0.983
   58    HE3  TRP  10           HE3      TRP  10   5.013  -5.951   2.465
   59    HZ2  TRP  10           HZ2      TRP  10   6.937  -1.331   2.477
   60    HZ3  TRP  10           HZ3      TRP  10   7.169  -5.481   3.577
   61    HH2  TRP  10           HH2      TRP  10   8.124  -3.205   3.578
   62    H    ARG  11           HN       ARG  11   0.531  -2.409   2.089
   63    HA   ARG  11           HA       ARG  11   0.948  -3.264   4.842
   64   1HB   ARG  11          HB2       ARG  11   0.197  -0.481   3.747
   65   2HB   ARG  11          HB1       ARG  11   0.706  -0.882   5.421
   66   1HG   ARG  11          HG2       ARG  11   2.399  -0.928   2.849
   67   2HG   ARG  11          HG1       ARG  11   2.536   0.211   4.225
   68   1HD   ARG  11          HD2       ARG  11   3.271  -2.805   4.230
   69   2HD   ARG  11          HD1       ARG  11   4.393  -1.388   4.307
   70    HE   ARG  11           HE       ARG  11   2.473  -1.275   6.486
   71   1HH1  ARG  11          HH21      ARG  11   5.398  -3.032   5.385
   72   2HH1  ARG  11          HH22      ARG  11   5.892  -3.471   6.986
   73   1HH2  ARG  11          HH11      ARG  11   3.171  -1.884   8.628
   74   2HH2  ARG  11          HH12      ARG  11   4.619  -2.811   8.845
   75    H    CYS  12           HN       CYS  12  -1.562  -2.238   2.515
   76    HA   CYS  12           HA       CYS  12  -3.613  -2.035   4.460
   77   1HB   CYS  12          HB2       CYS  12  -4.007  -2.809   1.512
   78   2HB   CYS  12          HB1       CYS  12  -5.237  -2.176   2.646
   79   1HN   NH2  13          H1        NH2  13  -3.458  -5.947   3.025
   80   2HN   NH2  13          H2        NH2  13  -2.607  -4.683   2.184
  Start of MODEL   24
    1   1H    GLY   1          HT1       GLY   1  -5.961   4.113  -5.371
    2   2H    GLY   1          HT2       GLY   1  -5.000   5.459  -5.004
    3   3H    GLY   1          HT3       GLY   1  -6.694   5.604  -5.003
    4   1HA   GLY   1          HA2       GLY   1  -5.844   5.513  -2.791
    5   2HA   GLY   1          HA1       GLY   1  -6.832   4.046  -3.191
    6    H    CYS   2           HN       CYS   2  -5.197   3.815  -1.026
    7    HA   CYS   2           HA       CYS   2  -2.538   3.152  -1.510
    8   1HB   CYS   2          HB2       CYS   2  -3.542   3.649   0.767
    9   2HB   CYS   2          HB1       CYS   2  -4.436   2.124   0.715
   10    H    CYS   3           HN       CYS   3  -5.376   1.134  -0.953
   11    HA   CYS   3           HA       CYS   3  -4.164  -1.309  -1.073
   12   1HB   CYS   3          HB2       CYS   3  -7.073  -0.761  -1.857
   13   2HB   CYS   3          HB1       CYS   3  -6.410  -2.285  -1.184
   14    H    SER   4           HN       SER   4  -5.033   0.735  -3.763
   15    HA   SER   4           HA       SER   4  -5.137  -1.316  -5.708
   16   1HB   SER   4          HB2       SER   4  -4.581   1.693  -6.101
   17   2HB   SER   4          HB1       SER   4  -5.360   0.546  -7.262
   18    HG   SER   4           HG       SER   4  -6.921   1.762  -6.243
   19    H    ASP   5           HN       ASP   5  -2.580   0.719  -4.211
   20    HA   ASP   5           HA       ASP   5  -0.898   0.401  -6.569
   21   1HB   ASP   5          HB2       ASP   5  -1.186   2.681  -5.723
   22   2HB   ASP   5          HB1       ASP   5  -0.694   2.176  -4.068
   23    HA   PRO   6           HA       PRO   6   0.562  -3.001  -4.258
   24   1HB   PRO   6          HB2       PRO   6   2.943  -3.738  -5.602
   25   2HB   PRO   6          HB1       PRO   6   1.279  -3.985  -6.259
   26   1HG   PRO   6          HG1       PRO   6   3.177  -1.646  -6.833
   27   2HG   PRO   6          HG2       PRO   6   2.234  -2.645  -8.015
   28   1HD   PRO   6          HD1       PRO   6   1.297  -0.199  -7.145
   29   2HD   PRO   6          HD2       PRO   6   0.136  -1.591  -7.344
   30    H    ARG   7           HN       ARG   7   2.537  -0.175  -4.397
   31    HA   ARG   7           HA       ARG   7   4.579  -1.154  -2.605
   32   1HB   ARG   7          HB2       ARG   7   3.964   1.719  -3.517
   33   2HB   ARG   7          HB1       ARG   7   5.483   1.159  -2.750
   34   1HG   ARG   7          HG2       ARG   7   6.082  -0.179  -4.703
   35   2HG   ARG   7          HG1       ARG   7   4.496   0.104  -5.489
   36   1HD   ARG   7          HD2       ARG   7   6.547   2.324  -4.850
   37   2HD   ARG   7          HD1       ARG   7   6.295   1.554  -6.480
   38    HE   ARG   7           HE       ARG   7   3.737   2.359  -5.761
   39   1HH1  ARG   7          HH21      ARG   7   6.864   4.086  -5.955
   40   2HH1  ARG   7          HH22      ARG   7   6.140   5.628  -6.263
   41   1HH2  ARG   7          HH11      ARG   7   2.790   4.432  -6.163
   42   2HH2  ARG   7          HH12      ARG   7   3.794   5.827  -6.381
   43    H    CYS   8           HN       CYS   8   1.406  -0.006  -2.363
   44    HA   CYS   8           HA       CYS   8   1.809   0.909   0.412
   45   1HB   CYS   8          HB2       CYS   8   0.939   2.633  -1.279
   46   2HB   CYS   8          HB1       CYS   8  -0.512   1.624  -1.477
   47    H    ALA   9           HN       ALA   9  -0.170  -0.956  -1.943
   48    HA   ALA   9           HA       ALA   9  -2.147  -1.803  -0.486
   49   1HB   ALA   9          HB1       ALA   9  -1.859  -2.298  -2.926
   50   2HB   ALA   9          HB2       ALA   9  -2.382  -3.748  -2.013
   51   3HB   ALA   9          HB3       ALA   9  -0.657  -3.575  -2.506
   52    H    TRP  10           HN       TRP  10   1.087  -3.172  -0.071
   53    HA   TRP  10           HA       TRP  10   0.272  -5.546   1.221
   54   1HB   TRP  10          HB2       TRP  10   2.591  -5.642   2.147
   55   2HB   TRP  10          HB1       TRP  10   2.553  -5.384   0.374
   56    HD1  TRP  10           HD1      TRP  10   2.873  -2.613  -0.371
   57    HE1  TRP  10           HE1      TRP  10   4.349  -0.829   0.636
   58    HE3  TRP  10           HE3      TRP  10   3.781  -4.923   4.079
   59    HZ2  TRP  10           HZ2      TRP  10   5.906  -0.506   3.063
   60    HZ3  TRP  10           HZ3      TRP  10   5.260  -3.819   5.725
   61    HH2  TRP  10           HH2      TRP  10   6.310  -1.642   5.223
   62    H    ARG  11           HN       ARG  11   0.442  -2.174   2.286
   63    HA   ARG  11           HA       ARG  11   0.327  -2.920   5.087
   64   1HB   ARG  11          HB2       ARG  11   0.281  -0.226   3.610
   65   2HB   ARG  11          HB1       ARG  11   0.105  -0.375   5.392
   66   1HG   ARG  11          HG2       ARG  11   2.287  -1.387   5.642
   67   2HG   ARG  11          HG1       ARG  11   2.527  -1.515   3.875
   68   1HD   ARG  11          HD2       ARG  11   2.179   1.205   5.321
   69   2HD   ARG  11          HD1       ARG  11   3.785   0.397   5.044
   70    HE   ARG  11           HE       ARG  11   2.445   0.441   2.534
   71   1HH1  ARG  11          HH21      ARG  11   3.792   2.750   4.912
   72   2HH1  ARG  11          HH22      ARG  11   4.319   3.887   3.716
   73   1HH2  ARG  11          HH11      ARG  11   3.256   1.954   0.930
   74   2HH2  ARG  11          HH12      ARG  11   3.984   3.439   1.431
   75    H    CYS  12           HN       CYS  12  -1.783  -2.645   2.448
   76    HA   CYS  12           HA       CYS  12  -4.087  -1.863   4.095
   77   1HB   CYS  12          HB2       CYS  12  -3.987  -0.820   1.853
   78   2HB   CYS  12          HB1       CYS  12  -3.832  -2.431   1.086
   79   1HN   NH2  13          H1        NH2  13  -2.925  -4.500   1.859
   80   2HN   NH2  13          H2        NH2  13  -3.745  -5.784   2.709
  Start of MODEL   25
    1   1H    GLY   1          HT1       GLY   1  -8.216   2.738  -4.574
    2   2H    GLY   1          HT2       GLY   1  -7.883   4.401  -4.633
    3   3H    GLY   1          HT3       GLY   1  -9.363   3.854  -3.998
    4   1HA   GLY   1          HA2       GLY   1  -7.863   4.545  -2.283
    5   2HA   GLY   1          HA1       GLY   1  -8.227   2.772  -2.213
    6    H    CYS   2           HN       CYS   2  -6.020   3.720  -0.866
    7    HA   CYS   2           HA       CYS   2  -3.666   4.052  -2.175
    8   1HB   CYS   2          HB2       CYS   2  -4.300   4.153   0.400
    9   2HB   CYS   2          HB1       CYS   2  -3.820   2.449   0.464
   10    H    CYS   3           HN       CYS   3  -5.249   1.127  -1.149
   11    HA   CYS   3           HA       CYS   3  -3.265  -0.731  -1.537
   12   1HB   CYS   3          HB2       CYS   3  -6.240  -1.378  -1.886
   13   2HB   CYS   3          HB1       CYS   3  -4.958  -2.397  -1.163
   14    H    SER   4           HN       SER   4  -4.855   1.016  -3.984
   15    HA   SER   4           HA       SER   4  -4.954  -1.020  -5.982
   16   1HB   SER   4          HB2       SER   4  -4.637   2.006  -6.485
   17   2HB   SER   4          HB1       SER   4  -5.403   0.769  -7.550
   18    HG   SER   4           HG       SER   4  -6.274   2.017  -5.172
   19    H    ASP   5           HN       ASP   5  -2.451   0.978  -4.475
   20    HA   ASP   5           HA       ASP   5  -0.664   0.541  -6.742
   21   1HB   ASP   5          HB2       ASP   5  -0.701   2.813  -5.973
   22   2HB   ASP   5          HB1       ASP   5  -0.408   2.314  -4.267
   23    HA   PRO   6           HA       PRO   6   0.242  -3.042  -4.338
   24   1HB   PRO   6          HB2       PRO   6   2.949  -2.966  -5.822
   25   2HB   PRO   6          HB1       PRO   6   1.883  -4.402  -5.544
   26   1HG   PRO   6          HG1       PRO   6   1.854  -3.092  -7.959
   27   2HG   PRO   6          HG2       PRO   6   0.302  -3.640  -7.200
   28   1HD   PRO   6          HD1       PRO   6   1.438  -0.801  -7.296
   29   2HD   PRO   6          HD2       PRO   6  -0.279  -1.402  -7.350
   30    H    ARG   7           HN       ARG   7   2.443  -0.346  -4.341
   31    HA   ARG   7           HA       ARG   7   4.226  -1.366  -2.356
   32   1HB   ARG   7          HB2       ARG   7   3.854   1.538  -3.284
   33   2HB   ARG   7          HB1       ARG   7   5.274   0.859  -2.427
   34   1HG   ARG   7          HG2       ARG   7   5.818  -0.577  -4.375
   35   2HG   ARG   7          HG1       ARG   7   4.380   0.015  -5.273
   36   1HD   ARG   7          HD2       ARG   7   6.735   1.793  -4.336
   37   2HD   ARG   7          HD1       ARG   7   6.488   1.151  -6.022
   38    HE   ARG   7           HE       ARG   7   4.082   2.487  -5.224
   39   1HH1  ARG   7          HH21      ARG   7   7.497   3.294  -5.931
   40   2HH1  ARG   7          HH22      ARG   7   7.137   4.888  -6.508
   41   1HH2  ARG   7          HH11      ARG   7   3.632   4.649  -5.942
   42   2HH2  ARG   7          HH12      ARG   7   4.916   5.681  -6.481
   43    H    CYS   8           HN       CYS   8   1.064  -0.108  -2.284
   44    HA   CYS   8           HA       CYS   8   1.380   0.639   0.557
   45   1HB   CYS   8          HB2       CYS   8   0.438   2.379  -1.092
   46   2HB   CYS   8          HB1       CYS   8  -0.950   1.277  -1.329
   47    H    ALA   9           HN       ALA   9  -0.038  -1.562  -1.830
   48    HA   ALA   9           HA       ALA   9  -2.183  -2.491  -0.446
   49   1HB   ALA   9          HB1       ALA   9  -2.085  -4.514  -1.875
   50   2HB   ALA   9          HB2       ALA   9  -0.374  -4.139  -2.305
   51   3HB   ALA   9          HB3       ALA   9  -1.707  -3.043  -2.840
   52    H    TRP  10           HN       TRP  10   1.218  -3.426   0.064
   53    HA   TRP  10           HA       TRP  10   0.571  -5.702   1.648
   54   1HB   TRP  10          HB2       TRP  10   2.923  -5.714   2.391
   55   2HB   TRP  10          HB1       TRP  10   2.799  -5.552   0.611
   56    HD1  TRP  10           HD1      TRP  10   3.233  -2.907  -0.345
   57    HE1  TRP  10           HE1      TRP  10   4.455  -0.936   0.651
   58    HE3  TRP  10           HE3      TRP  10   3.875  -4.741   4.361
   59    HZ2  TRP  10           HZ2      TRP  10   5.995  -0.400   3.055
   60    HZ3  TRP  10           HZ3      TRP  10   5.213  -3.445   5.985
   61    HH2  TRP  10           HH2      TRP  10   6.247  -1.297   5.349
   62    H    ARG  11           HN       ARG  11   0.466  -2.273   2.278
   63    HA   ARG  11           HA       ARG  11   0.768  -2.603   5.141
   64   1HB   ARG  11          HB2       ARG  11  -0.122  -0.129   3.534
   65   2HB   ARG  11          HB1       ARG  11   0.269  -0.190   5.287
   66   1HG   ARG  11          HG2       ARG  11   2.639  -0.762   4.752
   67   2HG   ARG  11          HG1       ARG  11   2.263  -0.720   2.993
   68   1HD   ARG  11          HD2       ARG  11   1.584   1.696   3.180
   69   2HD   ARG  11          HD1       ARG  11   1.976   1.673   4.947
   70    HE   ARG  11           HE       ARG  11   4.344   1.105   4.335
   71   1HH1  ARG  11          HH11      ARG  11   2.310   2.671   1.826
   72   2HH1  ARG  11          HH12      ARG  11   3.660   3.352   0.985
   73   1HH2  ARG  11          HH21      ARG  11   6.120   2.084   3.218
   74   2HH2  ARG  11          HH22      ARG  11   5.846   3.047   1.807
   75    H    CYS  12           HN       CYS  12  -1.650  -2.189   2.559
   76    HA   CYS  12           HA       CYS  12  -3.890  -1.974   4.284
   77   1HB   CYS  12          HB2       CYS  12  -3.831  -3.187   1.451
   78   2HB   CYS  12          HB1       CYS  12  -5.286  -2.705   2.377
   79   1HN   NH2  13          H1        NH2  13  -2.396  -4.797   2.527
   80   2HN   NH2  13          H2        NH2  13  -3.059  -5.996   3.609
  Start of MODEL   26
    1   1H    GLY   1          HT1       GLY   1  -8.004   2.136  -2.880
    2   2H    GLY   1          HT2       GLY   1  -7.586   1.851  -4.499
    3   3H    GLY   1          HT3       GLY   1  -9.053   2.623  -4.123
    4   1HA   GLY   1          HA2       GLY   1  -7.503   4.196  -4.915
    5   2HA   GLY   1          HA1       GLY   1  -7.808   4.452  -3.142
    6    H    CYS   2           HN       CYS   2  -6.154   3.930  -1.638
    7    HA   CYS   2           HA       CYS   2  -3.528   4.227  -2.551
    8   1HB   CYS   2          HB2       CYS   2  -4.492   4.710  -0.193
    9   2HB   CYS   2          HB1       CYS   2  -4.369   2.975   0.159
   10    H    CYS   3           HN       CYS   3  -5.364   1.470  -1.298
   11    HA   CYS   3           HA       CYS   3  -3.288  -0.391  -1.499
   12   1HB   CYS   3          HB2       CYS   3  -6.281  -1.039  -1.386
   13   2HB   CYS   3          HB1       CYS   3  -4.928  -2.064  -0.825
   14    H    SER   4           HN       SER   4  -4.684   1.034  -4.102
   15    HA   SER   4           HA       SER   4  -4.830  -1.340  -5.762
   16   1HB   SER   4          HB2       SER   4  -4.885   1.638  -6.552
   17   2HB   SER   4          HB1       SER   4  -5.354   0.222  -7.573
   18    HG   SER   4           HG       SER   4  -7.150   1.207  -6.673
   19    H    ASP   5           HN       ASP   5  -2.481   0.877  -4.418
   20    HA   ASP   5           HA       ASP   5  -0.599   0.390  -6.580
   21   1HB   ASP   5          HB2       ASP   5  -0.661   2.668  -5.689
   22   2HB   ASP   5          HB1       ASP   5  -0.381   2.063  -4.017
   23    HA   PRO   6           HA       PRO   6   0.376  -3.196  -4.156
   24   1HB   PRO   6          HB2       PRO   6   3.181  -2.962  -5.414
   25   2HB   PRO   6          HB1       PRO   6   2.149  -4.438  -5.283
   26   1HG   PRO   6          HG1       PRO   6   2.321  -3.039  -7.643
   27   2HG   PRO   6          HG2       PRO   6   0.722  -3.682  -7.076
   28   1HD   PRO   6          HD1       PRO   6   1.748  -0.801  -6.921
   29   2HD   PRO   6          HD2       PRO   6   0.074  -1.444  -7.239
   30    H    ARG   7           HN       ARG   7   2.544  -0.442  -4.149
   31    HA   ARG   7           HA       ARG   7   4.082  -1.331  -1.881
   32   1HB   ARG   7          HB2       ARG   7   4.173   1.159  -3.660
   33   2HB   ARG   7          HB1       ARG   7   5.034   1.119  -2.096
   34   1HG   ARG   7          HG2       ARG   7   6.608   0.585  -3.818
   35   2HG   ARG   7          HG1       ARG   7   6.356  -0.821  -2.733
   36   1HD   ARG   7          HD2       ARG   7   6.622  -1.519  -5.104
   37   2HD   ARG   7          HD1       ARG   7   4.976  -1.964  -4.490
   38    HE   ARG   7           HE       ARG   7   4.747   0.615  -5.691
   39   1HH1  ARG   7          HH21      ARG   7   5.678  -2.690  -6.712
   40   2HH1  ARG   7          HH22      ARG   7   5.146  -2.478  -8.344
   41   1HH2  ARG   7          HH11      ARG   7   4.025   0.865  -7.903
   42   2HH2  ARG   7          HH12      ARG   7   4.190  -0.442  -9.024
   43    H    CYS   8           HN       CYS   8   1.031  -0.099  -2.236
   44    HA   CYS   8           HA       CYS   8   1.136   0.956   0.524
   45   1HB   CYS   8          HB2       CYS   8   0.044   2.491  -1.194
   46   2HB   CYS   8          HB1       CYS   8  -1.144   1.187  -1.498
   47    H    ALA   9           HN       ALA   9  -0.516  -1.208  -1.843
   48    HA   ALA   9           HA       ALA   9  -2.392  -2.323  -0.333
   49   1HB   ALA   9          HB1       ALA   9  -2.387  -4.282  -1.840
   50   2HB   ALA   9          HB2       ALA   9  -0.712  -3.893  -2.375
   51   3HB   ALA   9          HB3       ALA   9  -2.075  -2.789  -2.789
   52    H    TRP  10           HN       TRP  10   1.011  -3.447  -0.386
   53    HA   TRP  10           HA       TRP  10   0.619  -5.740   1.113
   54   1HB   TRP  10          HB2       TRP  10   2.996  -5.773   1.604
   55   2HB   TRP  10          HB1       TRP  10   2.739  -5.257  -0.092
   56    HD1  TRP  10           HD1      TRP  10   2.565  -2.222  -0.080
   57    HE1  TRP  10           HE1      TRP  10   4.328  -0.671   0.821
   58    HE3  TRP  10           HE3      TRP  10   4.727  -5.492   3.157
   59    HZ2  TRP  10           HZ2      TRP  10   6.520  -0.840   2.708
   60    HZ3  TRP  10           HZ3      TRP  10   6.618  -4.722   4.551
   61    HH2  TRP  10           HH2      TRP  10   7.506  -2.430   4.330
   62    H    ARG  11           HN       ARG  11   0.570  -2.373   2.228
   63    HA   ARG  11           HA       ARG  11   0.909  -3.252   5.008
   64   1HB   ARG  11          HB2       ARG  11   0.622  -0.417   3.845
   65   2HB   ARG  11          HB1       ARG  11   0.928  -0.856   5.564
   66   1HG   ARG  11          HG2       ARG  11   3.089  -2.038   4.752
   67   2HG   ARG  11          HG1       ARG  11   2.770  -1.311   3.147
   68   1HD   ARG  11          HD2       ARG  11   4.416   0.061   4.326
   69   2HD   ARG  11          HD1       ARG  11   2.890   1.016   4.200
   70    HE   ARG  11           HE       ARG  11   3.944  -0.434   6.655
   71   1HH1  ARG  11          HH11      ARG  11   1.722   2.024   5.285
   72   2HH1  ARG  11          HH12      ARG  11   1.249   2.628   6.839
   73   1HH2  ARG  11          HH21      ARG  11   3.304   0.406   8.698
   74   2HH2  ARG  11          HH22      ARG  11   2.167   1.706   8.800
   75    H    CYS  12           HN       CYS  12  -1.483  -2.813   2.633
   76    HA   CYS  12           HA       CYS  12  -3.569  -2.031   4.512
   77   1HB   CYS  12          HB2       CYS  12  -3.912  -3.128   1.654
   78   2HB   CYS  12          HB1       CYS  12  -5.171  -2.413   2.706
   79   1HN   NH2  13          H1        NH2  13  -2.495  -4.849   2.504
   80   2HN   NH2  13          H2        NH2  13  -3.209  -6.071   3.530
  Start of MODEL   27
    1   1H    GLY   1          HT1       GLY   1  -5.418   6.463  -4.306
    2   2H    GLY   1          HT2       GLY   1  -7.059   6.205  -4.669
    3   3H    GLY   1          HT3       GLY   1  -5.868   5.167  -5.303
    4   1HA   GLY   1          HA2       GLY   1  -6.501   5.501  -2.455
    5   2HA   GLY   1          HA1       GLY   1  -7.025   4.130  -3.521
    6    H    CYS   2           HN       CYS   2  -5.448   3.869  -1.069
    7    HA   CYS   2           HA       CYS   2  -2.701   3.615  -1.739
    8   1HB   CYS   2          HB2       CYS   2  -3.541   3.942   0.613
    9   2HB   CYS   2          HB1       CYS   2  -4.333   2.365   0.575
   10    H    CYS   3           HN       CYS   3  -5.245   1.247  -0.978
   11    HA   CYS   3           HA       CYS   3  -3.681  -0.965  -1.400
   12   1HB   CYS   3          HB2       CYS   3  -6.728  -0.941  -1.722
   13   2HB   CYS   3          HB1       CYS   3  -5.701  -2.341  -1.287
   14    H    SER   4           HN       SER   4  -5.155   1.004  -3.827
   15    HA   SER   4           HA       SER   4  -5.334  -0.816  -5.919
   16   1HB   SER   4          HB2       SER   4  -4.654   2.193  -6.063
   17   2HB   SER   4          HB1       SER   4  -5.576   1.206  -7.265
   18    HG   SER   4           HG       SER   4  -6.978   2.396  -6.007
   19    H    ASP   5           HN       ASP   5  -2.554   0.690  -4.303
   20    HA   ASP   5           HA       ASP   5  -0.893   0.271  -6.690
   21   1HB   ASP   5          HB2       ASP   5  -0.834   2.536  -6.013
   22   2HB   ASP   5          HB1       ASP   5  -0.539   2.110  -4.284
   23    HA   PRO   6           HA       PRO   6   0.174  -3.223  -4.137
   24   1HB   PRO   6          HB2       PRO   6   2.599  -3.324  -6.051
   25   2HB   PRO   6          HB1       PRO   6   1.588  -4.709  -5.472
   26   1HG   PRO   6          HG1       PRO   6   1.152  -3.634  -7.953
   27   2HG   PRO   6          HG2       PRO   6  -0.264  -4.017  -6.887
   28   1HD   PRO   6          HD1       PRO   6   1.005  -1.263  -7.396
   29   2HD   PRO   6          HD2       PRO   6  -0.743  -1.742  -7.221
   30    H    ARG   7           HN       ARG   7   2.458  -0.615  -4.759
   31    HA   ARG   7           HA       ARG   7   4.387  -1.569  -2.856
   32   1HB   ARG   7          HB2       ARG   7   4.093   1.196  -4.165
   33   2HB   ARG   7          HB1       ARG   7   5.528   0.603  -3.270
   34   1HG   ARG   7          HG2       ARG   7   5.926  -1.154  -4.942
   35   2HG   ARG   7          HG1       ARG   7   4.440  -0.733  -5.847
   36   1HD   ARG   7          HD2       ARG   7   6.835   1.190  -5.455
   37   2HD   ARG   7          HD1       ARG   7   6.537   0.155  -6.921
   38    HE   ARG   7           HE       ARG   7   4.176   1.733  -6.310
   39   1HH1  ARG   7          HH21      ARG   7   7.476   2.009  -7.671
   40   2HH1  ARG   7          HH22      ARG   7   7.083   3.343  -8.702
   41   1HH2  ARG   7          HH11      ARG   7   3.669   3.521  -7.710
   42   2HH2  ARG   7          HH12      ARG   7   4.888   4.213  -8.727
   43    H    CYS   8           HN       CYS   8   1.396   0.134  -2.730
   44    HA   CYS   8           HA       CYS   8   2.015   1.322  -0.116
   45   1HB   CYS   8          HB2       CYS   8   0.910   2.723  -1.931
   46   2HB   CYS   8          HB1       CYS   8  -0.489   1.627  -1.868
   47    H    ALA   9           HN       ALA   9   0.079  -1.118  -1.860
   48    HA   ALA   9           HA       ALA   9  -1.740  -1.659   0.099
   49   1HB   ALA   9          HB1       ALA   9  -0.740  -3.587  -2.076
   50   2HB   ALA   9          HB2       ALA   9  -1.967  -2.294  -2.334
   51   3HB   ALA   9          HB3       ALA   9  -2.331  -3.666  -1.233
   52    H    TRP  10           HN       TRP  10   1.362  -2.209   0.824
   53    HA   TRP  10           HA       TRP  10   1.430  -4.922   1.634
   54   1HB   TRP  10          HB2       TRP  10   3.393  -4.302   3.021
   55   2HB   TRP  10          HB1       TRP  10   3.529  -3.617   1.370
   56    HD1  TRP  10           HD1      TRP  10   3.136  -0.831   1.206
   57    HE1  TRP  10           HE1      TRP  10   3.380   1.020   2.953
   58    HE3  TRP  10           HE3      TRP  10   3.196  -3.766   5.366
   59    HZ2  TRP  10           HZ2      TRP  10   3.532   1.205   5.818
   60    HZ3  TRP  10           HZ3      TRP  10   3.352  -2.705   7.589
   61    HH2  TRP  10           HH2      TRP  10   3.523  -0.251   7.813
   62    H    ARG  11           HN       ARG  11   0.220  -1.942   3.034
   63    HA   ARG  11           HA       ARG  11  -0.221  -3.186   5.625
   64   1HB   ARG  11          HB2       ARG  11  -1.036  -0.866   6.280
   65   2HB   ARG  11          HB1       ARG  11   0.688  -1.001   5.818
   66   1HG   ARG  11          HG2       ARG  11   0.231  -0.093   3.565
   67   2HG   ARG  11          HG1       ARG  11  -1.526   0.050   3.951
   68   1HD   ARG  11          HD2       ARG  11  -0.974   1.697   5.778
   69   2HD   ARG  11          HD1       ARG  11   0.797   1.478   5.425
   70    HE   ARG  11           HE       ARG  11  -0.632   2.217   3.006
   71   1HH1  ARG  11          HH11      ARG  11   0.556   3.572   6.098
   72   2HH1  ARG  11          HH12      ARG  11   0.705   5.186   5.488
   73   1HH2  ARG  11          HH21      ARG  11  -0.435   4.400   2.213
   74   2HH2  ARG  11          HH22      ARG  11   0.115   5.667   3.259
   75    H    CYS  12           HN       CYS  12  -1.744  -3.227   2.712
   76    HA   CYS  12           HA       CYS  12  -4.460  -3.099   3.846
   77   1HB   CYS  12          HB2       CYS  12  -3.643  -3.540   0.916
   78   2HB   CYS  12          HB1       CYS  12  -5.307  -3.423   1.565
   79   1HN   NH2  13          H1        NH2  13  -2.816  -6.683   2.501
   80   2HN   NH2  13          H2        NH2  13  -2.174  -5.181   1.904
  Start of MODEL   28
    1   1H    GLY   1          HT1       GLY   1  -6.494   6.527  -4.620
    2   2H    GLY   1          HT2       GLY   1  -6.141   4.971  -5.227
    3   3H    GLY   1          HT3       GLY   1  -4.881   6.046  -4.868
    4   1HA   GLY   1          HA2       GLY   1  -5.522   6.011  -2.551
    5   2HA   GLY   1          HA1       GLY   1  -6.760   4.764  -2.998
    6    H    CYS   2           HN       CYS   2  -4.991   4.254  -1.016
    7    HA   CYS   2           HA       CYS   2  -2.476   3.396  -1.527
    8   1HB   CYS   2          HB2       CYS   2  -3.510   3.766   0.742
    9   2HB   CYS   2          HB1       CYS   2  -4.512   2.320   0.535
   10    H    CYS   3           HN       CYS   3  -5.256   1.236  -1.012
   11    HA   CYS   3           HA       CYS   3  -3.714  -1.004  -1.270
   12   1HB   CYS   3          HB2       CYS   3  -6.752  -0.929  -1.629
   13   2HB   CYS   3          HB1       CYS   3  -5.769  -2.332  -1.089
   14    H    SER   4           HN       SER   4  -5.185   0.769  -3.911
   15    HA   SER   4           HA       SER   4  -5.073  -1.357  -5.782
   16   1HB   SER   4          HB2       SER   4  -5.244   0.984  -7.257
   17   2HB   SER   4          HB1       SER   4  -6.630   0.187  -6.461
   18    HG   SER   4           HG       SER   4  -5.079   2.338  -5.381
   19    H    ASP   5           HN       ASP   5  -2.539   0.523  -4.284
   20    HA   ASP   5           HA       ASP   5  -0.938   0.326  -6.737
   21   1HB   ASP   5          HB2       ASP   5  -1.234   2.670  -5.966
   22   2HB   ASP   5          HB1       ASP   5  -0.591   2.224  -4.344
   23    HA   PRO   6           HA       PRO   6   0.410  -2.978  -4.320
   24   1HB   PRO   6          HB2       PRO   6   2.775  -3.826  -5.619
   25   2HB   PRO   6          HB1       PRO   6   1.113  -4.021  -6.302
   26   1HG   PRO   6          HG1       PRO   6   3.110  -1.762  -6.871
   27   2HG   PRO   6          HG2       PRO   6   2.156  -2.744  -8.064
   28   1HD   PRO   6          HD1       PRO   6   1.285  -0.264  -7.249
   29   2HD   PRO   6          HD2       PRO   6   0.085  -1.618  -7.446
   30    H    ARG   7           HN       ARG   7   2.461  -0.184  -4.506
   31    HA   ARG   7           HA       ARG   7   4.437  -1.211  -2.678
   32   1HB   ARG   7          HB2       ARG   7   4.008   1.674  -3.640
   33   2HB   ARG   7          HB1       ARG   7   5.499   1.005  -2.892
   34   1HG   ARG   7          HG2       ARG   7   4.356   0.207  -5.670
   35   2HG   ARG   7          HG1       ARG   7   5.626   1.418  -5.345
   36   1HD   ARG   7          HD2       ARG   7   6.749  -0.571  -6.080
   37   2HD   ARG   7          HD1       ARG   7   7.098  -0.381  -4.322
   38    HE   ARG   7           HE       ARG   7   5.029  -2.286  -5.501
   39   1HH1  ARG   7          HH21      ARG   7   7.512  -1.602  -2.991
   40   2HH1  ARG   7          HH22      ARG   7   7.315  -3.142  -2.228
   41   1HH2  ARG   7          HH11      ARG   7   4.821  -4.329  -4.448
   42   2HH2  ARG   7          HH12      ARG   7   5.798  -4.714  -3.071
   43    H    CYS   8           HN       CYS   8   1.335  -0.041  -2.421
   44    HA   CYS   8           HA       CYS   8   1.800   0.895   0.336
   45   1HB   CYS   8          HB2       CYS   8   0.786   2.599  -1.300
   46   2HB   CYS   8          HB1       CYS   8  -0.636   1.520  -1.412
   47    H    ALA   9           HN       ALA   9  -0.198  -1.086  -1.917
   48    HA   ALA   9           HA       ALA   9  -2.083  -2.106  -0.487
   49   1HB   ALA   9          HB1       ALA   9  -1.635  -2.754  -2.855
   50   2HB   ALA   9          HB2       ALA   9  -2.022  -4.188  -1.840
   51   3HB   ALA   9          HB3       ALA   9  -0.306  -3.844  -2.287
   52    H    TRP  10           HN       TRP  10   1.232  -3.258   0.082
   53    HA   TRP  10           HA       TRP  10   0.612  -5.488   1.630
   54   1HB   TRP  10          HB2       TRP  10   2.825  -5.259   2.716
   55   2HB   TRP  10          HB1       TRP  10   2.903  -5.171   0.934
   56    HD1  TRP  10           HD1      TRP  10   2.745  -2.126   0.220
   57    HE1  TRP  10           HE1      TRP  10   4.443  -0.475   1.014
   58    HE3  TRP  10           HE3      TRP  10   4.597  -4.876   4.101
   59    HZ2  TRP  10           HZ2      TRP  10   6.400  -0.304   3.169
   60    HZ3  TRP  10           HZ3      TRP  10   6.443  -3.952   5.442
   61    HH2  TRP  10           HH2      TRP  10   7.332  -1.688   4.990
   62    H    ARG  11           HN       ARG  11   0.408  -2.056   2.466
   63    HA   ARG  11           HA       ARG  11   0.254  -2.478   5.297
   64   1HB   ARG  11          HB2       ARG  11  -0.502  -0.065   3.537
   65   2HB   ARG  11          HB1       ARG  11  -0.327  -0.033   5.326
   66   1HG   ARG  11          HG2       ARG  11   2.068  -0.574   5.158
   67   2HG   ARG  11          HG1       ARG  11   1.942  -0.798   3.376
   68   1HD   ARG  11          HD2       ARG  11   1.315   1.640   3.117
   69   2HD   ARG  11          HD1       ARG  11   1.626   1.871   4.898
   70    HE   ARG  11           HE       ARG  11   3.908   0.552   3.907
   71   1HH1  ARG  11          HH11      ARG  11   2.209   3.616   3.166
   72   2HH1  ARG  11          HH12      ARG  11   3.647   4.457   2.703
   73   1HH2  ARG  11          HH21      ARG  11   5.835   1.717   3.338
   74   2HH2  ARG  11          HH22      ARG  11   5.728   3.347   2.750
   75    H    CYS  12           HN       CYS  12  -1.844  -2.942   2.635
   76    HA   CYS  12           HA       CYS  12  -4.254  -2.577   4.247
   77   1HB   CYS  12          HB2       CYS  12  -4.009  -3.505   1.331
   78   2HB   CYS  12          HB1       CYS  12  -5.515  -3.098   2.208
   79   1HN   NH2  13          H1        NH2  13  -1.807  -4.881   4.039
   80   2HN   NH2  13          H2        NH2  13  -2.752  -6.327   4.094
  Start of MODEL   29
    1   1H    GLY   1          HT1       GLY   1  -5.189   5.080  -5.090
    2   2H    GLY   1          HT2       GLY   1  -4.822   6.175  -3.845
    3   3H    GLY   1          HT3       GLY   1  -6.386   6.143  -4.511
    4   1HA   GLY   1          HA2       GLY   1  -6.264   5.076  -2.358
    5   2HA   GLY   1          HA1       GLY   1  -6.738   3.949  -3.701
    6    H    CYS   2           HN       CYS   2  -5.015   3.963  -0.942
    7    HA   CYS   2           HA       CYS   2  -2.445   3.200  -1.530
    8   1HB   CYS   2          HB2       CYS   2  -3.363   3.743   0.774
    9   2HB   CYS   2          HB1       CYS   2  -4.241   2.208   0.792
   10    H    CYS   3           HN       CYS   3  -5.261   1.190  -0.812
   11    HA   CYS   3           HA       CYS   3  -4.041  -1.234  -0.927
   12   1HB   CYS   3          HB2       CYS   3  -6.981  -0.801  -1.613
   13   2HB   CYS   3          HB1       CYS   3  -6.224  -2.273  -0.930
   14    H    SER   4           HN       SER   4  -4.935   0.711  -3.673
   15    HA   SER   4           HA       SER   4  -5.086  -1.463  -5.506
   16   1HB   SER   4          HB2       SER   4  -4.625   1.542  -6.044
   17   2HB   SER   4          HB1       SER   4  -5.304   0.312  -7.181
   18    HG   SER   4           HG       SER   4  -6.924   1.555  -6.219
   19    H    ASP   5           HN       ASP   5  -2.538   0.764  -4.239
   20    HA   ASP   5           HA       ASP   5  -0.954   0.295  -6.633
   21   1HB   ASP   5          HB2       ASP   5  -1.196   2.624  -5.829
   22   2HB   ASP   5          HB1       ASP   5  -0.495   2.168  -4.234
   23    HA   PRO   6           HA       PRO   6   0.544  -3.015  -4.272
   24   1HB   PRO   6          HB2       PRO   6   2.888  -3.823  -5.646
   25   2HB   PRO   6          HB1       PRO   6   1.206  -4.091  -6.237
   26   1HG   PRO   6          HG1       PRO   6   3.107  -1.810  -6.984
   27   2HG   PRO   6          HG2       PRO   6   2.085  -2.829  -8.082
   28   1HD   PRO   6          HD1       PRO   6   1.264  -0.323  -7.255
   29   2HD   PRO   6          HD2       PRO   6   0.054  -1.676  -7.379
   30    H    ARG   7           HN       ARG   7   2.591  -0.236  -4.566
   31    HA   ARG   7           HA       ARG   7   4.614  -1.208  -2.762
   32   1HB   ARG   7          HB2       ARG   7   4.116   1.674  -3.715
   33   2HB   ARG   7          HB1       ARG   7   5.627   1.016  -3.006
   34   1HG   ARG   7          HG2       ARG   7   4.441   0.302  -5.786
   35   2HG   ARG   7          HG1       ARG   7   5.772   1.427  -5.419
   36   1HD   ARG   7          HD2       ARG   7   6.945  -0.475  -6.107
   37   2HD   ARG   7          HD1       ARG   7   7.006  -0.609  -4.303
   38    HE   ARG   7           HE       ARG   7   4.828  -2.021  -5.862
   39   1HH1  ARG   7          HH21      ARG   7   7.808  -2.282  -3.887
   40   2HH1  ARG   7          HH22      ARG   7   7.749  -4.010  -3.809
   41   1HH2  ARG   7          HH11      ARG   7   4.785  -4.331  -5.739
   42   2HH2  ARG   7          HH12      ARG   7   5.998  -5.183  -4.848
   43    H    CYS   8           HN       CYS   8   1.481   0.058  -2.492
   44    HA   CYS   8           HA       CYS   8   1.963   1.013   0.257
   45   1HB   CYS   8          HB2       CYS   8   1.046   2.698  -1.457
   46   2HB   CYS   8          HB1       CYS   8  -0.414   1.692  -1.587
   47    H    ALA   9           HN       ALA   9  -0.084  -0.861  -2.023
   48    HA   ALA   9           HA       ALA   9  -2.091  -1.624  -0.624
   49   1HB   ALA   9          HB1       ALA   9  -2.300  -3.656  -2.060
   50   2HB   ALA   9          HB2       ALA   9  -0.551  -3.533  -2.480
   51   3HB   ALA   9          HB3       ALA   9  -1.716  -2.263  -3.021
   52    H    TRP  10           HN       TRP  10   1.065  -3.068  -0.054
   53    HA   TRP  10           HA       TRP  10   0.220  -5.384   1.279
   54   1HB   TRP  10          HB2       TRP  10   2.500  -5.386   2.335
   55   2HB   TRP  10          HB1       TRP  10   2.550  -5.182   0.556
   56    HD1  TRP  10           HD1      TRP  10   3.005  -2.526  -0.319
   57    HE1  TRP  10           HE1      TRP  10   4.320  -0.642   0.715
   58    HE3  TRP  10           HE3      TRP  10   3.242  -4.405   4.403
   59    HZ2  TRP  10           HZ2      TRP  10   5.509  -0.079   3.317
   60    HZ3  TRP  10           HZ3      TRP  10   4.444  -3.136   6.149
   61    HH2  TRP  10           HH2      TRP  10   5.569  -1.003   5.615
   62    H    ARG  11           HN       ARG  11   0.265  -1.989   2.256
   63    HA   ARG  11           HA       ARG  11   0.246  -2.531   5.047
   64   1HB   ARG  11          HB2       ARG  11  -0.693  -0.051   3.480
   65   2HB   ARG  11          HB1       ARG  11  -0.483  -0.130   5.266
   66   1HG   ARG  11          HG2       ARG  11   1.949  -0.529   4.992
   67   2HG   ARG  11          HG1       ARG  11   1.778  -0.544   3.202
   68   1HD   ARG  11          HD2       ARG  11   0.969   1.826   3.227
   69   2HD   ARG  11          HD1       ARG  11   1.161   1.878   5.029
   70    HE   ARG  11           HE       ARG  11   3.622   1.311   4.637
   71   1HH1  ARG  11          HH21      ARG  11   1.773   3.026   2.087
   72   2HH1  ARG  11          HH22      ARG  11   3.172   3.800   1.425
   73   1HH2  ARG  11          HH11      ARG  11   5.461   2.385   3.743
   74   2HH2  ARG  11          HH12      ARG  11   5.285   3.448   2.385
   75    H    CYS  12           HN       CYS  12  -2.115  -2.548   2.444
   76    HA   CYS  12           HA       CYS  12  -4.369  -2.508   4.309
   77   1HB   CYS  12          HB2       CYS  12  -4.401  -3.119   1.290
   78   2HB   CYS  12          HB1       CYS  12  -5.816  -2.904   2.370
   79   1HN   NH2  13          H1        NH2  13  -3.157  -6.143   2.651
   80   2HN   NH2  13          H2        NH2  13  -2.745  -4.645   1.852
  Start of MODEL   30
    1   1H    GLY   1          HT1       GLY   1  -4.494   7.118  -4.193
    2   2H    GLY   1          HT2       GLY   1  -5.721   6.862  -5.343
    3   3H    GLY   1          HT3       GLY   1  -4.222   6.068  -5.496
    4   1HA   GLY   1          HA2       GLY   1  -6.111   5.688  -3.279
    5   2HA   GLY   1          HA1       GLY   1  -5.902   4.588  -4.709
    6    H    CYS   2           HN       CYS   2  -5.509   3.951  -1.821
    7    HA   CYS   2           HA       CYS   2  -2.612   3.581  -1.663
    8   1HB   CYS   2          HB2       CYS   2  -3.768   4.109   0.462
    9   2HB   CYS   2          HB1       CYS   2  -4.887   2.756   0.250
   10    H    CYS   3           HN       CYS   3  -5.391   1.409  -1.129
   11    HA   CYS   3           HA       CYS   3  -3.740  -0.731  -1.236
   12   1HB   CYS   3          HB2       CYS   3  -6.781  -0.887  -1.517
   13   2HB   CYS   3          HB1       CYS   3  -5.686  -2.107  -0.791
   14    H    SER   4           HN       SER   4  -4.943   0.787  -4.068
   15    HA   SER   4           HA       SER   4  -5.038  -1.616  -5.645
   16   1HB   SER   4          HB2       SER   4  -5.172   0.348  -7.464
   17   2HB   SER   4          HB1       SER   4  -6.582   0.020  -6.396
   18    HG   SER   4           HG       SER   4  -5.945   2.239  -6.526
   19    H    ASP   5           HN       ASP   5  -2.626   0.656  -4.379
   20    HA   ASP   5           HA       ASP   5  -0.924   0.206  -6.701
   21   1HB   ASP   5          HB2       ASP   5  -1.190   2.525  -5.963
   22   2HB   ASP   5          HB1       ASP   5  -0.546   2.107  -4.331
   23    HA   PRO   6           HA       PRO   6   0.653  -3.099  -4.266
   24   1HB   PRO   6          HB2       PRO   6   3.282  -2.582  -5.805
   25   2HB   PRO   6          HB1       PRO   6   2.505  -4.182  -5.468
   26   1HG   PRO   6          HG1       PRO   6   2.170  -2.986  -7.909
   27   2HG   PRO   6          HG2       PRO   6   0.739  -3.719  -7.072
   28   1HD   PRO   6          HD1       PRO   6   1.480  -0.750  -7.255
   29   2HD   PRO   6          HD2       PRO   6  -0.142  -1.578  -7.298
   30    H    ARG   7           HN       ARG   7   2.463  -0.111  -4.275
   31    HA   ARG   7           HA       ARG   7   4.412  -0.946  -2.362
   32   1HB   ARG   7          HB2       ARG   7   3.647   1.903  -3.237
   33   2HB   ARG   7          HB1       ARG   7   5.178   1.399  -2.450
   34   1HG   ARG   7          HG2       ARG   7   4.243   0.633  -5.314
   35   2HG   ARG   7          HG1       ARG   7   5.394   1.909  -4.853
   36   1HD   ARG   7          HD2       ARG   7   6.794   0.169  -5.574
   37   2HD   ARG   7          HD1       ARG   7   6.874   0.054  -3.763
   38    HE   ARG   7           HE       ARG   7   4.771  -1.659  -4.864
   39   1HH1  ARG   7          HH21      ARG   7   8.322  -1.430  -4.478
   40   2HH1  ARG   7          HH22      ARG   7   8.583  -3.130  -4.663
   41   1HH2  ARG   7          HH11      ARG   7   5.151  -3.941  -5.133
   42   2HH2  ARG   7          HH12      ARG   7   6.758  -4.575  -5.048
   43    H    CYS   8           HN       CYS   8   1.175   0.158  -2.288
   44    HA   CYS   8           HA       CYS   8   1.401   0.990   0.534
   45   1HB   CYS   8          HB2       CYS   8   0.457   2.599  -1.272
   46   2HB   CYS   8          HB1       CYS   8  -0.938   1.499  -1.376
   47    H    ALA   9           HN       ALA   9  -0.267  -1.068  -1.902
   48    HA   ALA   9           HA       ALA   9  -2.235  -2.162  -0.545
   49   1HB   ALA   9          HB1       ALA   9  -2.060  -4.166  -2.010
   50   2HB   ALA   9          HB2       ALA   9  -0.361  -3.718  -2.418
   51   3HB   ALA   9          HB3       ALA   9  -1.731  -2.668  -2.945
   52    H    TRP  10           HN       TRP  10   1.164  -3.189  -0.103
   53    HA   TRP  10           HA       TRP  10   0.540  -5.653   1.039
   54   1HB   TRP  10          HB2       TRP  10   2.826  -5.802   1.846
   55   2HB   TRP  10          HB1       TRP  10   2.827  -5.111   0.193
   56    HD1  TRP  10           HD1      TRP  10   3.385  -2.330   0.088
   57    HE1  TRP  10           HE1      TRP  10   4.661  -0.821   1.682
   58    HE3  TRP  10           HE3      TRP  10   3.382  -5.425   4.139
   59    HZ2  TRP  10           HZ2      TRP  10   5.637  -0.964   4.412
   60    HZ3  TRP  10           HZ3      TRP  10   4.483  -4.685   6.221
   61    HH2  TRP  10           HH2      TRP  10   5.583  -2.482   6.359
   62    H    ARG  11           HN       ARG  11   0.552  -2.427   2.477
   63    HA   ARG  11           HA       ARG  11   0.425  -3.593   5.173
   64   1HB   ARG  11          HB2       ARG  11   0.680  -1.087   5.861
   65   2HB   ARG  11          HB1       ARG  11   2.105  -1.974   5.240
   66   1HG   ARG  11          HG2       ARG  11   1.822  -1.006   2.989
   67   2HG   ARG  11          HG1       ARG  11   0.382  -0.075   3.549
   68   1HD   ARG  11          HD2       ARG  11   1.790   1.255   5.082
   69   2HD   ARG  11          HD1       ARG  11   3.229   0.188   4.748
   70    HE   ARG  11           HE       ARG  11   2.520   1.039   2.216
   71   1HH1  ARG  11          HH21      ARG  11   3.230   2.747   5.277
   72   2HH1  ARG  11          HH22      ARG  11   3.965   4.110   4.504
   73   1HH2  ARG  11          HH11      ARG  11   3.488   2.882   1.194
   74   2HH2  ARG  11          HH12      ARG  11   4.126   4.183   2.146
   75    H    CYS  12           HN       CYS  12  -1.565  -2.935   2.692
   76    HA   CYS  12           HA       CYS  12  -3.751  -1.880   4.361
   77   1HB   CYS  12          HB2       CYS  12  -3.472  -0.751   2.150
   78   2HB   CYS  12          HB1       CYS  12  -3.571  -2.334   1.322
   79   1HN   NH2  13          H1        NH2  13  -2.921  -4.491   1.941
   80   2HN   NH2  13          H2        NH2  13  -3.930  -5.703   2.684