*HEADER    ANTIMICROBIAL PROTEIN                   09-JAN-01   1HVZ              
*TITLE     RTD-1, A CYCLIC ANTIMICROBIAL DEFENSIN FROM RHESUS MACAQUE LEUKOCYTES 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: THETA DEFENSIN 1;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RTD-1;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THIS SEQUENCE 
*SOURCE   4 OCCURS NATURALLY IN RHESUS MACAQUES (MUCACA MULATTA)                 
*KEYWDS    CYCLIC, BETA-SHEET, DISULFIDE-RICH, ANTIMICROBIAL PROTEIN             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.J.CRAIK, M.TRABI, H.J.SCHIRRA                                       
*REVDAT   1   29-MAR-17 1HVZ    0                                                

!
!
!NOEs for RTD-1 at 310K (750MHz spectrometer)
!mixing time 200ms

!==========================================================
! sequential NOEs
!==========================================================

! residue1 atom1 residue2 atom2 NOE lwd upd 

1 assign (resid 1 and name hn) (resid 18 and name hn) 4.0 0.7 1.7
2 assign (resid 1 and name hn) (resid 18 and name ha) 2.5 0.5 0.5
3 assign (resid 1 and name hn) (resid 18 and name hb#) 3.5 0.6 1.6
4 assign (resid 1 and name hn) (resid 18 and name hg#) 5.0 0.8 1.8
5 assign (resid 1 and name ha#) (resid 18 and name ha) 4.0 0.7 0.7
6 assign (resid 2 and name hn) (resid 1 and name hn) 2.5 0.5 0.5
7 assign (resid 2 and name hn) (resid 1 and name ha#) 3.5 0.6 1.6
8 assign (resid 3 and name hn) (resid 2 and name hn) 5.0 0.8 0.8
9 assign (resid 3 and name hn) (resid 2 and name ha) 3.0 0.5 0.5
10 assign (resid 3 and name hn) (resid 2 and name hb#) 4.0 0.7 2.7
11 assign (resid 4 and name hn) (resid 3 and name hn) 0.0 0.0 5.5
12 assign (resid 4 and name hn) (resid 3 and name ha) 0.0 0.0 5.5
13 assign (resid 4 and name hn) (resid 3 and name hb1) 0.0 0.0 4.0
14 assign (resid 4 and name hn) (resid 3 and name hb2) 5.0 0.8 0.8
15 assign (resid 5 and name hn) (resid 4 and name ha) 0.0 0.0 5.5
16 assign (resid 5 and name hn) (resid 4 and name hb#) 0.0 0.0 6.5
17 assign (resid 6 and name hn) (resid 5 and name ha) 0.0 0.0 5.5
18 assign (resid 6 and name hn) (resid 5 and name hb#) 4.0 0.7 1.7
19 assign (resid 6 and name ha) (resid 5 and name hn) 5.0 0.8 0.8
20 assign (resid 7 and name hn) (resid 6 and name hn) 0.0 0.0 5.5
21 assign (resid 7 and name hn) (resid 6 and name ha) 0.0 0.0 5.5
22 assign (resid 8 and name hn) (resid 7 and name ha) 0.0 0.0 5.5
23 assign (resid 8 and name hn) (resid 7 and name hb1) 3.0 0.5 0.5
24 assign (resid 8 and name hn) (resid 7 and name hb2) 5.0 0.8 0.8
25 assign (resid 8 and name ha) (resid 7 and name ha) 5.0 0.8 0.8
26 assign (resid 9 and name hn) (resid 8 and name ha) 2.5 0.5 0.5
27 assign (resid 9 and name hn) (resid 8 and name hb#) 4.0 0.7 1.7
28 assign (resid 9 and name ha) (resid 8 and name ha) 5.0 0.8 0.8
29 assign (resid 9 and name hb#) (resid 8 and name hg#) 5.0 0.8 2.8
30 assign (resid 10 and name hn) (resid 9 and name hn) 4.0 0.7 0.7
31 assign (resid 10 and name hn) (resid 9 and name ha) 2.5 0.5 0.5
32 assign (resid 10 and name hn) (resid 9 and name hb#) 3.5 0.6 1.6
33 assign (resid 10 and name ha#) (resid 9 and name hb#) 4.0 0.7 2.7
34 assign (resid 11 and name hn) (resid 10 and name hn) 2.5 0.5 0.5
35 assign (resid 11 and name hn) (resid 10 and name ha#) 3.5 0.6 0.6
36 assign (resid 11 and name hg*) (resid 10 and name ha#) 4.0 0.7 4.7
37 assign (resid 12 and name hn) (resid 11 and name ha) 2.5 0.5 0.5
38 assign (resid 12 and name hn) (resid 11 and name hb) 4.0 0.7 0.7
39 assign (resid 12 and name ha) (resid 11 and name hg*) 5.0 0.8 2.8
40 assign (resid 13 and name hn) (resid 12 and name ha) 0.0 0.0 5.5
41 assign (resid 13 and name hn) (resid 12 and name hb#) 0.0 0.0 6.5
42 assign (resid 14 and name hn) (resid 13 and name hb#) 4.0 0.7 1.7
43 assign (resid 14 and name hn) (resid 13 and name ha) 0.0 0.0 5.5
44 assign (resid 15 and name hn) (resid 14 and name ha) 0.0 0.0 5.5
45 assign (resid 15 and name ha) (resid 14 and name ha) 5.0 0.8 0.8
46 assign (resid 16 and name hn) (resid 15 and name ha) 3.0 0.5 0.5
47 assign (resid 17 and name hn) (resid 16 and name ha) 0.0 0.0 5.5
48 assign (resid 17 and name hn) (resid 16 and name hb#) 3.5 0.5 2.5
49 assign (resid 17 and name ha) (resid 16 and name hn) 0.0 0.0 5.5
50 assign (resid 17 and name ha) (resid 16 and name ha) 5.0 0.8 0.8
51 assign (resid 18 and name hn) (resid 17 and name ha) 2.5 0.5 0.5
52 assign (resid 18 and name hn) (resid 17 and name hb) 4.0 0.7 0.7
53 assign (resid 18 and name hn) (resid 17 and name hg2#) 4.0 0.7 2.3
54 assign (resid 18 and name ha) (resid 17 and name hg2#) 5.0 0.8 2.5
55 assign (resid 18 and name hb#) (resid 17 and name hg2#) 4.0 0.7 3.3
56 assign (resid 18 and name hg#) (resid 17 and name hg2#) 3.5 0.6 3.0
57 assign (resid 18 and name hd#) (resid 17 and name hg2#) 4.0 0.7 3.3


!==========================================================
! medium- and long-range NOEs
!==========================================================

! residue1 atom1 residue2 atom2 NOE lwd upd 

1 assign (resid 1 and name hn) (resid 17 and name hn) 5.0 0.8 0.8
2 assign (resid 1 and name ha#) (resid 17 and name hb) 4.0 0.7 0.7
3 assign (resid 2 and name hn) (resid 17 and name hn) 3.0 0.5 0.5
4 assign (resid 2 and name hn) (resid 17 and name hg2#) 5.0 0.8 2.3
5 assign (resid 2 and name hb#) (resid 17 and name hn) 4.0 0.7 1.7
6 assign (resid 3 and name ha) (resid 17 and name hn) 0.0 0.0 5.5
7 assign (resid 7 and name hb1) (resid 10 and name hn) 5.0 0.8 0.8
8 assign (resid 8 and name hn) (resid 10 and name hn) 5.0 0.8 0.8
9 assign (resid 8 and name ha) (resid 10 and name hn) 4.0 0.7 0.7
10 assign (resid 8 and name hb#) (resid 10 and name hn) 5.0 0.8 1.8
11 assign (resid 8 and name hg#) (resid 10 and name hn) 4.0 0.7 1.7
12 assign (resid 8 and name hn) (resid 11 and name hn) 2.5 0.5 1.0
13 assign (resid 8 and name hn) (resid 11 and name hb) 4.0 0.7 0.7
14 assign (resid 8 and name ha) (resid 11 and name hn) 5.0 0.8 0.8
15 assign (resid 8 and name hg#) (resid 11 and name hn) 5.0 0.8 1.8
16 assign (resid 9 and name hb#) (resid 11 and name hn) 4.0 0.7 1.7
17 assign (resid 3 and name ha) (resid 16 and name ha) 0.0 0.0 5.5
18 assign (resid 3 and name ha) (resid 16 and name hb#) 5.0 0.8 1.8
19 assign (resid 4 and name hn) (resid 15 and name hn) 0.0 0.0 5.5
20 assign (resid 5 and name ha) (resid 14 and name ha) 0.0 0.0 5.5
21 assign (resid 5 and name ha) (resid 15 and name hn) 0.0 0.0 5.5
22 assign (resid 6 and name hn) (resid 14 and name ha) 0.0 0.0 5.5
23 assign (resid 7 and name ha) (resid 12 and name ha) 0.0 0.0 5.5
24 assign (resid 7 and name hb1) (resid 12 and name ha) 4.0 0.7 0.7
25 assign (resid 8 and name hn) (resid 12 and name ha) 0.0 0.0 5.5



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1           H        GLY   1   8.269   1.044   1.764
    2    HA2  GLY   1           2HA      GLY   1   8.518   2.151   4.061
    3    HA3  GLY   1           1HA      GLY   1   7.036   2.979   3.604
    4    H    PHE   2           H        PHE   2   6.043   0.520   2.171
    5    HA   PHE   2           HA       PHE   2   5.818  -1.488   4.207
    6    HB2  PHE   2           2HB      PHE   2   3.293  -1.260   4.407
    7    HB3  PHE   2           1HB      PHE   2   4.243  -0.031   5.229
    8    HD1  PHE   2           HD1      PHE   2   4.462   2.244   4.158
    9    HD2  PHE   2           HD2      PHE   2   1.706  -0.692   2.783
   10    HE1  PHE   2           HE1      PHE   2   3.173   3.996   3.012
   11    HE2  PHE   2           HE2      PHE   2   0.414   1.056   1.630
   12    HZ   PHE   2           HZ       PHE   2   1.147   3.403   1.743
   13    H    CYS   3           H        CYS   3   5.474  -3.470   3.166
   14    HA   CYS   3           HA       CYS   3   4.211  -3.364   0.513
   15    HB2  CYS   3           2HB      CYS   3   6.643  -4.919   1.399
   16    HB3  CYS   3           1HB      CYS   3   5.735  -5.321  -0.055
   17    H    ARG   4           H        ARG   4   2.218  -3.973   1.350
   18    HA   ARG   4           HA       ARG   4   1.972  -6.812   1.937
   19    HB2  ARG   4           2HB      ARG   4   1.393  -4.640   3.884
   20    HB3  ARG   4           1HB      ARG   4   0.212  -5.936   3.777
   21    HG2  ARG   4           2HG      ARG   4   3.126  -6.170   4.485
   22    HG3  ARG   4           1HG      ARG   4   1.735  -6.464   5.528
   23    HD2  ARG   4           2HD      ARG   4   1.999  -8.616   4.971
   24    HD3  ARG   4           1HD      ARG   4   1.262  -8.162   3.434
   25    HE   ARG   4           HE       ARG   4   3.781  -7.661   2.865
   26   HH11  ARG   4          1HH1      ARG   4   2.462 -10.378   4.644
   27   HH12  ARG   4          2HH1      ARG   4   3.716 -11.470   4.163
   28   HH21  ARG   4          1HH2      ARG   4   5.438  -9.097   2.227
   29   HH22  ARG   4          2HH2      ARG   4   5.419 -10.738   2.782
   30    H    CYS   5           H        CYS   5  -0.705  -6.886   2.560
   31    HA   CYS   5           HA       CYS   5  -1.874  -6.172   0.010
   32    HB2  CYS   5           2HB      CYS   5  -2.646  -7.943   2.289
   33    HB3  CYS   5           1HB      CYS   5  -3.917  -7.347   1.226
   34    H    LEU   6           H        LEU   6  -2.221  -3.992   0.000
   35    HA   LEU   6           HA       LEU   6  -3.416  -2.629   2.229
   36    HB2  LEU   6           2HB      LEU   6  -2.688  -1.840  -0.580
   37    HB3  LEU   6           1HB      LEU   6  -3.640  -0.771   0.429
   38    HG   LEU   6           HG       LEU   6  -1.568   0.076   0.850
   39   HD11  LEU   6          1HD1      LEU   6  -0.750  -1.782   2.842
   40   HD12  LEU   6          2HD1      LEU   6  -2.509  -1.652   2.878
   41   HD13  LEU   6          3HD1      LEU   6  -1.513  -0.206   3.044
   42   HD21  LEU   6          1HD2      LEU   6  -0.508  -2.704   0.416
   43   HD22  LEU   6          2HD2      LEU   6   0.493  -1.372   0.992
   44   HD23  LEU   6          3HD2      LEU   6  -0.274  -1.277  -0.593
   45    H    CYS   7           H        CYS   7  -5.317  -3.823   2.541
   46    HA   CYS   7           HA       CYS   7  -7.267  -3.878   0.398
   47    HB2  CYS   7           2HB      CYS   7  -6.972  -5.223   3.027
   48    HB3  CYS   7           1HB      CYS   7  -8.609  -4.974   2.425
   49    H    ARG   8           H        ARG   8  -8.596  -2.312   0.077
   50    HA   ARG   8           HA       ARG   8  -9.409  -0.587   2.314
   51    HB2  ARG   8           2HB      ARG   8  -8.309   0.091  -0.149
   52    HB3  ARG   8           1HB      ARG   8 -10.026   0.365  -0.392
   53    HG2  ARG   8           2HG      ARG   8  -9.563   1.553   2.039
   54    HG3  ARG   8           1HG      ARG   8  -8.081   1.886   1.143
   55    HD2  ARG   8           2HD      ARG   8  -9.254   3.633   0.342
   56    HD3  ARG   8           1HD      ARG   8  -9.927   2.425  -0.752
   57    HE   ARG   8           HE       ARG   8 -11.238   3.536   1.630
   58   HH11  ARG   8          1HH1      ARG   8 -11.384   1.635  -1.303
   59   HH12  ARG   8          2HH1      ARG   8 -13.113   1.510  -1.295
   60   HH21  ARG   8          1HH2      ARG   8 -13.531   3.384   1.640
   61   HH22  ARG   8          2HH2      ARG   8 -14.334   2.502   0.381
   62    H    ARG   9           H        ARG   9 -11.671  -0.060   2.478
   63    HA   ARG   9           HA       ARG   9 -13.361  -2.250   2.028
   64    HB2  ARG   9           2HB      ARG   9 -13.513   0.131   3.469
   65    HB3  ARG   9           1HB      ARG   9 -14.835   0.234   2.313
   66    HG2  ARG   9           2HG      ARG   9 -14.422  -2.216   3.986
   67    HG3  ARG   9           1HG      ARG   9 -15.297  -0.814   4.603
   68    HD2  ARG   9           2HD      ARG   9 -17.105  -1.745   3.673
   69    HD3  ARG   9           1HD      ARG   9 -16.438  -1.190   2.138
   70    HE   ARG   9           HE       ARG   9 -15.770  -3.860   3.174
   71   HH11  ARG   9          1HH1      ARG   9 -17.185  -1.825   0.705
   72   HH12  ARG   9          2HH1      ARG   9 -17.372  -3.112  -0.439
   73   HH21  ARG   9          1HH2      ARG   9 -16.007  -5.572   1.664
   74   HH22  ARG   9          2HH2      ARG   9 -16.700  -5.251   0.110
   75    H    GLY  10           H        GLY  10 -13.014  -2.664  -0.215
   76    HA2  GLY  10           2HA      GLY  10 -14.924  -2.516  -1.958
   77    HA3  GLY  10           1HA      GLY  10 -14.403  -0.841  -2.063
   78    H    VAL  11           H        VAL  11 -11.535  -1.773  -1.601
   79    HA   VAL  11           HA       VAL  11 -10.974  -3.286  -4.021
   80    HB   VAL  11           HB       VAL  11  -9.139  -1.441  -4.518
   81   HG11  VAL  11          1HG1      VAL  11 -10.235  -1.363  -6.436
   82   HG12  VAL  11          2HG1      VAL  11 -11.537  -0.424  -5.706
   83   HG13  VAL  11          3HG1      VAL  11 -11.587  -2.186  -5.658
   84   HG21  VAL  11          1HG2      VAL  11  -9.464   0.635  -3.757
   85   HG22  VAL  11          2HG2      VAL  11 -10.489  -0.121  -2.540
   86   HG23  VAL  11          3HG2      VAL  11 -11.208   0.555  -4.001
   87    H    CYS  12           H        CYS  12  -9.326  -4.629  -3.667
   88    HA   CYS  12           HA       CYS  12  -7.546  -4.082  -1.387
   89    HB2  CYS  12           2HB      CYS  12  -8.563  -6.617  -2.630
   90    HB3  CYS  12           1HB      CYS  12  -7.034  -6.631  -1.759
   91    H    ARG  13           H        ARG  13  -5.468  -3.591  -1.811
   92    HA   ARG  13           HA       ARG  13  -4.382  -4.398  -4.431
   93    HB2  ARG  13           2HB      ARG  13  -4.289  -1.712  -3.092
   94    HB3  ARG  13           1HB      ARG  13  -3.060  -2.180  -4.257
   95    HG2  ARG  13           2HG      ARG  13  -6.014  -2.159  -4.830
   96    HG3  ARG  13           1HG      ARG  13  -4.914  -0.836  -5.212
   97    HD2  ARG  13           2HD      ARG  13  -5.012  -2.000  -7.212
   98    HD3  ARG  13           1HD      ARG  13  -3.555  -2.651  -6.463
   99    HE   ARG  13           HE       ARG  13  -5.835  -4.207  -5.777
  100   HH11  ARG  13          1HH1      ARG  13  -3.604  -3.584  -8.406
  101   HH12  ARG  13          2HH1      ARG  13  -3.788  -5.155  -9.108
  102   HH21  ARG  13          1HH2      ARG  13  -6.080  -6.281  -6.692
  103   HH22  ARG  13          2HH2      ARG  13  -5.206  -6.699  -8.130
  104    H    CYS  14           H        CYS  14  -3.029  -6.002  -3.826
  105    HA   CYS  14           HA       CYS  14  -1.228  -5.603  -1.568
  106    HB2  CYS  14           2HB      CYS  14  -1.390  -8.009  -3.391
  107    HB3  CYS  14           1HB      CYS  14  -0.670  -7.924  -1.786
  108    H    ILE  15           H        ILE  15   0.281  -4.127  -2.228
  109    HA   ILE  15           HA       ILE  15   2.023  -4.974  -4.434
  110    HB   ILE  15           HB       ILE  15   2.265  -2.361  -4.799
  111   HG12  ILE  15          2HG1      ILE  15  -0.508  -1.903  -4.699
  112   HG13  ILE  15          1HG1      ILE  15  -0.086  -2.590  -3.134
  113   HG21  ILE  15          1HG2      ILE  15   0.751  -2.531  -6.678
  114   HG22  ILE  15          2HG2      ILE  15  -0.029  -3.938  -5.954
  115   HG23  ILE  15          3HG2      ILE  15   1.648  -4.039  -6.489
  116   HD11  ILE  15          1HD1      ILE  15   1.887  -0.768  -3.441
  117   HD12  ILE  15          2HD1      ILE  15   0.365  -0.467  -2.602
  118   HD13  ILE  15          3HD1      ILE  15   0.556   0.024  -4.286
  119    H    CYS  16           H        CYS  16   3.882  -3.077  -4.423
  120    HA   CYS  16           HA       CYS  16   4.957  -3.128  -1.687
  121    HB2  CYS  16           2HB      CYS  16   6.056  -4.185  -4.028
  122    HB3  CYS  16           1HB      CYS  16   6.934  -2.682  -3.773
  123    H    THR  17           H        THR  17   4.831  -1.182  -0.787
  124    HA   THR  17           HA       THR  17   5.270   1.181  -2.490
  125    HB   THR  17           HB       THR  17   4.074   2.012  -0.082
  126    HG1  THR  17           HG1      THR  17   3.427  -0.165   0.281
  127   HG21  THR  17          1HG2      THR  17   3.428   1.941  -2.936
  128   HG22  THR  17          2HG2      THR  17   3.195   3.233  -1.757
  129   HG23  THR  17          3HG2      THR  17   2.007   1.937  -1.893
  130    H    ARG  18           H        ARG  18   6.801   2.675  -1.787
  131    HA   ARG  18           HA       ARG  18   8.914   1.784  -0.212
  132    HB2  ARG  18           2HB      ARG  18   9.454   4.344  -0.112
  133    HB3  ARG  18           1HB      ARG  18   9.542   3.483  -1.641
  134    HG2  ARG  18           2HG      ARG  18   7.192   4.275  -2.091
  135    HG3  ARG  18           1HG      ARG  18   7.367   5.319  -0.679
  136    HD2  ARG  18           2HD      ARG  18   9.309   6.390  -1.709
  137    HD3  ARG  18           1HD      ARG  18   9.145   5.339  -3.116
  138    HE   ARG  18           HE       ARG  18   7.237   7.441  -2.326
  139   HH11  ARG  18          1HH1      ARG  18   8.640   5.333  -4.739
  140   HH12  ARG  18          2HH1      ARG  18   7.765   6.036  -6.058
  141   HH21  ARG  18          1HH2      ARG  18   6.070   8.379  -4.064
  142   HH22  ARG  18          2HH2      ARG  18   6.297   7.775  -5.672
  Start of MODEL    2
    1    H    GLY   1           H        GLY   1   7.040   1.864  -0.793
    2    HA2  GLY   1           2HA      GLY   1   8.064   3.649   1.006
    3    HA3  GLY   1           1HA      GLY   1   6.321   3.865   1.120
    4    H    PHE   2           H        PHE   2   5.827   0.981   0.438
    5    HA   PHE   2           HA       PHE   2   7.105  -0.696   2.295
    6    HB2  PHE   2           2HB      PHE   2   5.680   0.939   3.774
    7    HB3  PHE   2           1HB      PHE   2   4.324  -0.046   3.237
    8    HD1  PHE   2           HD1      PHE   2   7.810  -0.917   4.225
    9    HD2  PHE   2           HD2      PHE   2   3.649  -1.377   4.980
   10    HE1  PHE   2           HE1      PHE   2   8.316  -2.563   5.981
   11    HE2  PHE   2           HE2      PHE   2   4.146  -3.024   6.740
   12    HZ   PHE   2           HZ       PHE   2   6.483  -3.620   7.242
   13    H    CYS   3           H        CYS   3   6.107  -2.870   2.305
   14    HA   CYS   3           HA       CYS   3   4.158  -3.205   0.122
   15    HB2  CYS   3           2HB      CYS   3   6.316  -5.171   0.909
   16    HB3  CYS   3           1HB      CYS   3   5.236  -5.282  -0.477
   17    H    ARG   4           H        ARG   4   2.263  -3.996   0.790
   18    HA   ARG   4           HA       ARG   4   2.071  -6.184   2.608
   19    HB2  ARG   4           2HB      ARG   4   0.482  -4.664   4.134
   20    HB3  ARG   4           1HB      ARG   4   2.184  -4.906   4.490
   21    HG2  ARG   4           2HG      ARG   4   2.185  -2.665   4.645
   22    HG3  ARG   4           1HG      ARG   4   2.354  -2.753   2.891
   23    HD2  ARG   4           2HD      ARG   4  -0.156  -2.664   2.754
   24    HD3  ARG   4           1HD      ARG   4  -0.163  -2.307   4.482
   25    HE   ARG   4           HE       ARG   4   0.815  -0.567   2.337
   26   HH11  ARG   4          1HH1      ARG   4   0.185  -1.083   5.740
   27   HH12  ARG   4          2HH1      ARG   4   0.300   0.595   6.154
   28   HH21  ARG   4          1HH2      ARG   4   0.965   1.658   2.874
   29   HH22  ARG   4          2HH2      ARG   4   0.743   2.161   4.517
   30    H    CYS   5           H        CYS   5  -0.209  -6.754   3.061
   31    HA   CYS   5           HA       CYS   5  -1.799  -6.389   0.674
   32    HB2  CYS   5           2HB      CYS   5  -1.454  -8.460   2.494
   33    HB3  CYS   5           1HB      CYS   5  -3.059  -7.846   2.872
   34    H    LEU   6           H        LEU   6  -2.417  -4.199   0.815
   35    HA   LEU   6           HA       LEU   6  -4.173  -3.525   3.076
   36    HB2  LEU   6           2HB      LEU   6  -2.079  -2.111   2.237
   37    HB3  LEU   6           1HB      LEU   6  -3.274  -1.460   1.131
   38    HG   LEU   6           HG       LEU   6  -4.681  -0.839   3.096
   39   HD11  LEU   6          1HD1      LEU   6  -2.312  -1.187   4.860
   40   HD12  LEU   6          2HD1      LEU   6  -3.341  -2.584   4.540
   41   HD13  LEU   6          3HD1      LEU   6  -4.027  -1.131   5.267
   42   HD21  LEU   6          1HD2      LEU   6  -3.637   1.043   2.424
   43   HD22  LEU   6          2HD2      LEU   6  -2.041   0.293   2.438
   44   HD23  LEU   6          3HD2      LEU   6  -2.767   0.849   3.946
   45    H    CYS   7           H        CYS   7  -5.710  -4.982   1.876
   46    HA   CYS   7           HA       CYS   7  -6.863  -4.033  -0.558
   47    HB2  CYS   7           2HB      CYS   7  -7.431  -6.230   1.363
   48    HB3  CYS   7           1HB      CYS   7  -8.764  -5.687   0.347
   49    H    ARG   8           H        ARG   8  -8.201  -2.395  -0.779
   50    HA   ARG   8           HA       ARG   8  -9.684  -1.444   1.563
   51    HB2  ARG   8           2HB      ARG   8  -8.183  -0.134  -0.502
   52    HB3  ARG   8           1HB      ARG   8  -9.847   0.417  -0.591
   53    HG2  ARG   8           2HG      ARG   8  -9.087   1.924   0.906
   54    HG3  ARG   8           1HG      ARG   8  -9.464   0.631   2.047
   55    HD2  ARG   8           2HD      ARG   8  -7.334   0.983   2.715
   56    HD3  ARG   8           1HD      ARG   8  -6.967  -0.080   1.356
   57    HE   ARG   8           HE       ARG   8  -6.942   2.859   1.111
   58   HH11  ARG   8          1HH1      ARG   8  -5.472  -0.275   0.582
   59   HH12  ARG   8          2HH1      ARG   8  -4.120   0.366  -0.292
   60   HH21  ARG   8          1HH2      ARG   8  -5.162   3.710  -0.056
   61   HH22  ARG   8          2HH2      ARG   8  -3.943   2.637  -0.656
   62    H    ARG   9           H        ARG   9 -11.925  -1.014   1.401
   63    HA   ARG   9           HA       ARG   9 -13.397  -2.860  -0.091
   64    HB2  ARG   9           2HB      ARG   9 -14.096  -1.685   2.040
   65    HB3  ARG   9           1HB      ARG   9 -14.474  -0.282   1.051
   66    HG2  ARG   9           2HG      ARG   9 -15.798  -2.356  -0.211
   67    HG3  ARG   9           1HG      ARG   9 -16.006  -2.693   1.510
   68    HD2  ARG   9           2HD      ARG   9 -17.770  -1.228   0.428
   69    HD3  ARG   9           1HD      ARG   9 -17.026  -0.602   1.899
   70    HE   ARG   9           HE       ARG   9 -15.811   0.261  -0.593
   71   HH11  ARG   9          1HH1      ARG   9 -18.118   0.980   1.942
   72   HH12  ARG   9          2HH1      ARG   9 -18.134   2.682   1.625
   73   HH21  ARG   9          1HH2      ARG   9 -15.825   2.497  -1.020
   74   HH22  ARG   9          2HH2      ARG   9 -16.824   3.552  -0.074
   75    H    GLY  10           H        GLY  10 -12.551  -2.544  -2.216
   76    HA2  GLY  10           2HA      GLY  10 -13.946  -1.818  -4.234
   77    HA3  GLY  10           1HA      GLY  10 -13.627  -0.194  -3.641
   78    H    VAL  11           H        VAL  11 -10.870  -1.217  -2.759
   79    HA   VAL  11           HA       VAL  11  -9.584  -1.611  -5.349
   80    HB   VAL  11           HB       VAL  11  -7.825   0.173  -4.370
   81   HG11  VAL  11          1HG1      VAL  11  -9.703   1.717  -5.827
   82   HG12  VAL  11          2HG1      VAL  11  -9.724   0.075  -6.471
   83   HG13  VAL  11          3HG1      VAL  11  -8.209   0.973  -6.394
   84   HG21  VAL  11          1HG2      VAL  11  -8.651   1.816  -3.078
   85   HG22  VAL  11          2HG2      VAL  11  -9.842   0.601  -2.620
   86   HG23  VAL  11          3HG2      VAL  11 -10.229   1.789  -3.866
   87    H    CYS  12           H        CYS  12  -8.835  -3.610  -4.741
   88    HA   CYS  12           HA       CYS  12  -7.533  -4.064  -2.231
   89    HB2  CYS  12           2HB      CYS  12  -8.330  -5.662  -4.542
   90    HB3  CYS  12           1HB      CYS  12  -6.754  -6.132  -3.913
   91    H    ARG  13           H        ARG  13  -5.538  -3.421  -1.747
   92    HA   ARG  13           HA       ARG  13  -3.600  -3.145  -3.947
   93    HB2  ARG  13           2HB      ARG  13  -4.041  -1.403  -1.530
   94    HB3  ARG  13           1HB      ARG  13  -2.549  -1.356  -2.457
   95    HG2  ARG  13           2HG      ARG  13  -5.310  -0.755  -3.503
   96    HG3  ARG  13           1HG      ARG  13  -4.053   0.424  -3.130
   97    HD2  ARG  13           2HD      ARG  13  -3.497   0.248  -5.289
   98    HD3  ARG  13           1HD      ARG  13  -2.757  -1.285  -4.830
   99    HE   ARG  13           HE       ARG  13  -4.838  -2.375  -5.525
  100   HH11  ARG  13          1HH1      ARG  13  -4.247   0.888  -6.658
  101   HH12  ARG  13          2HH1      ARG  13  -5.290   0.741  -8.032
  102   HH21  ARG  13          1HH2      ARG  13  -6.212  -2.576  -7.336
  103   HH22  ARG  13          2HH2      ARG  13  -6.411  -1.240  -8.422
  104    H    CYS  14           H        CYS  14  -2.994  -5.346  -3.490
  105    HA   CYS  14           HA       CYS  14  -1.404  -5.642  -1.034
  106    HB2  CYS  14           2HB      CYS  14  -2.751  -7.692  -2.794
  107    HB3  CYS  14           1HB      CYS  14  -1.561  -8.121  -1.569
  108    H    ILE  15           H        ILE  15  -0.065  -4.191  -2.638
  109    HA   ILE  15           HA       ILE  15   1.856  -5.993  -3.936
  110    HB   ILE  15           HB       ILE  15   2.233  -3.928  -5.522
  111   HG12  ILE  15          2HG1      ILE  15  -0.540  -3.431  -5.828
  112   HG13  ILE  15          1HG1      ILE  15  -0.162  -3.192  -4.125
  113   HG21  ILE  15          1HG2      ILE  15   0.914  -4.986  -7.201
  114   HG22  ILE  15          2HG2      ILE  15  -0.133  -5.729  -5.993
  115   HG23  ILE  15          3HG2      ILE  15   1.546  -6.248  -6.144
  116   HD11  ILE  15          1HD1      ILE  15   0.232  -1.101  -4.927
  117   HD12  ILE  15          2HD1      ILE  15   0.761  -1.683  -6.506
  118   HD13  ILE  15          3HD1      ILE  15   1.839  -1.802  -5.115
  119    H    CYS  16           H        CYS  16   3.681  -4.091  -4.715
  120    HA   CYS  16           HA       CYS  16   4.686  -3.211  -2.123
  121    HB2  CYS  16           2HB      CYS  16   5.905  -4.024  -4.687
  122    HB3  CYS  16           1HB      CYS  16   6.703  -2.680  -3.875
  123    H    THR  17           H        THR  17   3.834  -1.274  -1.635
  124    HA   THR  17           HA       THR  17   3.477   0.768  -3.653
  125    HB   THR  17           HB       THR  17   3.107   1.910  -1.099
  126    HG1  THR  17           HG1      THR  17   3.229  -0.292  -0.290
  127   HG21  THR  17          1HG2      THR  17   0.601   1.036  -1.882
  128   HG22  THR  17          2HG2      THR  17   1.494   1.124  -3.398
  129   HG23  THR  17          3HG2      THR  17   1.364   2.550  -2.366
  130    H    ARG  18           H        ARG  18   4.713   2.743  -3.704
  131    HA   ARG  18           HA       ARG  18   7.440   2.463  -3.078
  132    HB2  ARG  18           2HB      ARG  18   6.017   4.065  -4.735
  133    HB3  ARG  18           1HB      ARG  18   6.398   5.202  -3.449
  134    HG2  ARG  18           2HG      ARG  18   8.646   3.564  -4.409
  135    HG3  ARG  18           1HG      ARG  18   7.993   4.735  -5.558
  136    HD2  ARG  18           2HD      ARG  18   8.589   5.560  -2.745
  137    HD3  ARG  18           1HD      ARG  18   9.894   5.443  -3.925
  138    HE   ARG  18           HE       ARG  18   8.855   7.169  -5.191
  139   HH11  ARG  18          1HH1      ARG  18   7.328   6.571  -2.087
  140   HH12  ARG  18          2HH1      ARG  18   6.559   8.125  -2.026
  141   HH21  ARG  18          1HH2      ARG  18   7.832   9.220  -5.113
  142   HH22  ARG  18          2HH2      ARG  18   6.843   9.631  -3.751
  Start of MODEL    3
    1    H    GLY   1           H        GLY   1  10.744  -1.088  -0.386
    2    HA2  GLY   1           2HA      GLY   1  11.954   0.237   1.508
    3    HA3  GLY   1           1HA      GLY   1  10.638   1.367   1.209
    4    H    PHE   2           H        PHE   2   8.768  -0.891   0.571
    5    HA   PHE   2           HA       PHE   2   8.567  -2.619   2.785
    6    HB2  PHE   2           2HB      PHE   2   8.058  -0.322   3.831
    7    HB3  PHE   2           1HB      PHE   2   6.546  -0.385   2.934
    8    HD1  PHE   2           HD1      PHE   2   8.549  -2.664   5.116
    9    HD2  PHE   2           HD2      PHE   2   4.723  -1.090   4.119
   10    HE1  PHE   2           HE1      PHE   2   7.536  -3.993   6.922
   11    HE2  PHE   2           HE2      PHE   2   3.703  -2.415   5.924
   12    HZ   PHE   2           HZ       PHE   2   5.111  -3.868   7.328
   13    H    CYS   3           H        CYS   3   6.624  -3.957   2.683
   14    HA   CYS   3           HA       CYS   3   5.047  -3.602   0.225
   15    HB2  CYS   3           2HB      CYS   3   6.234  -6.162   1.338
   16    HB3  CYS   3           1HB      CYS   3   5.033  -6.115   0.048
   17    H    ARG   4           H        ARG   4   2.825  -4.029   0.432
   18    HA   ARG   4           HA       ARG   4   1.845  -5.255   2.867
   19    HB2  ARG   4           2HB      ARG   4   0.425  -3.305   3.468
   20    HB3  ARG   4           1HB      ARG   4   2.145  -3.000   3.664
   21    HG2  ARG   4           2HG      ARG   4   1.638  -2.155   1.090
   22    HG3  ARG   4           1HG      ARG   4   0.195  -1.667   1.979
   23    HD2  ARG   4           2HD      ARG   4   1.300   0.032   2.881
   24    HD3  ARG   4           1HD      ARG   4   2.482  -1.080   3.568
   25    HE   ARG   4           HE       ARG   4   3.025  -0.610   0.826
   26   HH11  ARG   4          1HH1      ARG   4   3.263   0.890   3.974
   27   HH12  ARG   4          2HH1      ARG   4   4.603   1.899   3.540
   28   HH21  ARG   4          1HH2      ARG   4   4.799   0.711   0.234
   29   HH22  ARG   4          2HH2      ARG   4   5.473   1.800   1.409
   30    H    CYS   5           H        CYS   5  -0.515  -5.462   2.877
   31    HA   CYS   5           HA       CYS   5  -1.712  -5.325   0.201
   32    HB2  CYS   5           2HB      CYS   5  -1.085  -7.623   0.445
   33    HB3  CYS   5           1HB      CYS   5  -1.689  -7.681   2.095
   34    H    LEU   6           H        LEU   6  -2.978  -3.586   0.675
   35    HA   LEU   6           HA       LEU   6  -4.732  -3.752   3.019
   36    HB2  LEU   6           2HB      LEU   6  -3.274  -1.699   2.427
   37    HB3  LEU   6           1HB      LEU   6  -4.479  -1.379   1.196
   38    HG   LEU   6           HG       LEU   6  -6.214  -1.320   2.998
   39   HD11  LEU   6          1HD1      LEU   6  -4.439  -2.580   4.556
   40   HD12  LEU   6          2HD1      LEU   6  -5.749  -1.586   5.194
   41   HD13  LEU   6          3HD1      LEU   6  -4.125  -0.916   5.046
   42   HD21  LEU   6          1HD2      LEU   6  -5.014   0.843   4.060
   43   HD22  LEU   6          2HD2      LEU   6  -5.756   0.820   2.461
   44   HD23  LEU   6          3HD2      LEU   6  -4.014   0.603   2.627
   45    H    CYS   7           H        CYS   7  -6.106  -5.346   2.088
   46    HA   CYS   7           HA       CYS   7  -7.470  -4.890  -0.366
   47    HB2  CYS   7           2HB      CYS   7  -7.624  -6.893   1.821
   48    HB3  CYS   7           1HB      CYS   7  -9.053  -6.702   0.809
   49    H    ARG   8           H        ARG   8  -9.061  -3.559  -0.751
   50    HA   ARG   8           HA       ARG   8 -10.762  -2.665   1.474
   51    HB2  ARG   8           2HB      ARG   8  -9.261  -1.198  -0.433
   52    HB3  ARG   8           1HB      ARG   8 -10.949  -0.966  -0.858
   53    HG2  ARG   8           2HG      ARG   8 -10.288   0.792   0.608
   54    HG3  ARG   8           1HG      ARG   8 -11.369  -0.279   1.502
   55    HD2  ARG   8           2HD      ARG   8  -9.685  -1.092   2.835
   56    HD3  ARG   8           1HD      ARG   8  -8.438  -0.780   1.630
   57    HE   ARG   8           HE       ARG   8  -9.041   1.692   2.248
   58   HH11  ARG   8          1HH1      ARG   8  -8.738  -1.051   4.395
   59   HH12  ARG   8          2HH1      ARG   8  -8.239  -0.102   5.756
   60   HH21  ARG   8          1HH2      ARG   8  -8.379   2.962   4.038
   61   HH22  ARG   8          2HH2      ARG   8  -8.036   2.191   5.550
   62    H    ARG   9           H        ARG   9 -13.048  -2.469   1.041
   63    HA   ARG   9           HA       ARG   9 -14.103  -4.634  -0.381
   64    HB2  ARG   9           2HB      ARG   9 -15.101  -3.159   1.545
   65    HB3  ARG   9           1HB      ARG   9 -15.779  -2.228   0.216
   66    HG2  ARG   9           2HG      ARG   9 -17.481  -3.650   0.254
   67    HG3  ARG   9           1HG      ARG   9 -16.382  -4.840  -0.447
   68    HD2  ARG   9           2HD      ARG   9 -17.264  -5.925   1.419
   69    HD3  ARG   9           1HD      ARG   9 -15.695  -5.341   1.972
   70    HE   ARG   9           HE       ARG   9 -18.025  -3.664   2.498
   71   HH11  ARG   9          1HH1      ARG   9 -15.648  -5.928   3.707
   72   HH12  ARG   9          2HH1      ARG   9 -15.924  -5.538   5.372
   73   HH21  ARG   9          1HH2      ARG   9 -18.399  -3.136   4.700
   74   HH22  ARG   9          2HH2      ARG   9 -17.495  -3.943   5.938
   75    H    GLY  10           H        GLY  10 -13.072  -4.366  -2.449
   76    HA2  GLY  10           2HA      GLY  10 -14.388  -4.046  -4.630
   77    HA3  GLY  10           1HA      GLY  10 -14.331  -2.345  -4.190
   78    H    VAL  11           H        VAL  11 -11.572  -2.708  -3.043
   79    HA   VAL  11           HA       VAL  11  -9.994  -3.340  -5.412
   80    HB   VAL  11           HB       VAL  11  -8.666  -1.114  -4.780
   81   HG11  VAL  11          1HG1      VAL  11 -10.762  -0.283  -6.539
   82   HG12  VAL  11          2HG1      VAL  11 -10.332  -1.960  -6.874
   83   HG13  VAL  11          3HG1      VAL  11  -9.092  -0.708  -6.912
   84   HG21  VAL  11          1HG2      VAL  11  -9.809   0.561  -3.825
   85   HG22  VAL  11          2HG2      VAL  11 -10.839  -0.724  -3.198
   86   HG23  VAL  11          3HG2      VAL  11 -11.308   0.150  -4.657
   87    H    CYS  12           H        CYS  12  -8.456  -4.670  -4.706
   88    HA   CYS  12           HA       CYS  12  -7.566  -4.515  -1.941
   89    HB2  CYS  12           2HB      CYS  12  -7.284  -6.523  -4.143
   90    HB3  CYS  12           1HB      CYS  12  -6.118  -6.541  -2.824
   91    H    ARG  13           H        ARG  13  -5.968  -3.169  -1.443
   92    HA   ARG  13           HA       ARG  13  -4.078  -2.359  -3.508
   93    HB2  ARG  13           2HB      ARG  13  -5.325  -0.937  -1.551
   94    HB3  ARG  13           1HB      ARG  13  -3.773  -1.257  -0.791
   95    HG2  ARG  13           2HG      ARG  13  -3.944   0.898  -2.068
   96    HG3  ARG  13           1HG      ARG  13  -2.593  -0.146  -2.511
   97    HD2  ARG  13           2HD      ARG  13  -4.859  -0.832  -4.106
   98    HD3  ARG  13           1HD      ARG  13  -4.613   0.911  -4.184
   99    HE   ARG  13           HE       ARG  13  -2.294   0.408  -4.874
  100   HH11  ARG  13          1HH1      ARG  13  -4.751  -2.057  -5.267
  101   HH12  ARG  13          2HH1      ARG  13  -3.925  -2.861  -6.558
  102   HH21  ARG  13          1HH2      ARG  13  -1.195  -0.653  -6.584
  103   HH22  ARG  13          2HH2      ARG  13  -1.896  -2.061  -7.309
  104    H    CYS  14           H        CYS  14  -3.347  -4.714  -3.344
  105    HA   CYS  14           HA       CYS  14  -1.295  -4.986  -1.259
  106    HB2  CYS  14           2HB      CYS  14  -2.277  -7.232  -3.008
  107    HB3  CYS  14           1HB      CYS  14  -1.479  -7.327  -1.439
  108    H    ILE  15           H        ILE  15   0.521  -4.136  -2.032
  109    HA   ILE  15           HA       ILE  15   1.679  -5.294  -4.431
  110    HB   ILE  15           HB       ILE  15   2.397  -2.752  -4.942
  111   HG12  ILE  15          2HG1      ILE  15  -0.257  -1.855  -4.834
  112   HG13  ILE  15          1HG1      ILE  15   0.059  -2.543  -3.245
  113   HG21  ILE  15          1HG2      ILE  15  -0.184  -3.857  -6.011
  114   HG22  ILE  15          2HG2      ILE  15   1.396  -4.507  -6.452
  115   HG23  ILE  15          3HG2      ILE  15   0.993  -2.833  -6.835
  116   HD11  ILE  15          1HD1      ILE  15   2.107  -1.123  -3.131
  117   HD12  ILE  15          2HD1      ILE  15   0.586  -0.232  -3.161
  118   HD13  ILE  15          3HD1      ILE  15   1.573  -0.342  -4.619
  119    H    CYS  16           H        CYS  16   3.948  -4.326  -4.744
  120    HA   CYS  16           HA       CYS  16   5.188  -4.058  -2.096
  121    HB2  CYS  16           2HB      CYS  16   5.871  -5.632  -4.476
  122    HB3  CYS  16           1HB      CYS  16   7.230  -4.725  -3.821
  123    H    THR  17           H        THR  17   6.538  -2.379  -1.709
  124    HA   THR  17           HA       THR  17   7.062  -0.508  -3.920
  125    HB   THR  17           HB       THR  17   6.881   1.108  -1.666
  126    HG1  THR  17           HG1      THR  17   5.758  -0.945  -0.813
  127   HG21  THR  17          1HG2      THR  17   4.380   1.284  -2.847
  128   HG22  THR  17          2HG2      THR  17   5.412   0.669  -4.137
  129   HG23  THR  17          3HG2      THR  17   5.822   2.180  -3.324
  130    H    ARG  18           H        ARG  18   9.113   0.465  -3.860
  131    HA   ARG  18           HA       ARG  18  11.171  -0.915  -2.572
  132    HB2  ARG  18           2HB      ARG  18  12.376   1.449  -3.088
  133    HB3  ARG  18           1HB      ARG  18  12.096   0.212  -4.304
  134    HG2  ARG  18           2HG      ARG  18  11.207   1.927  -5.449
  135    HG3  ARG  18           1HG      ARG  18   9.778   1.565  -4.481
  136    HD2  ARG  18           2HD      ARG  18  10.050   3.877  -4.266
  137    HD3  ARG  18           1HD      ARG  18  10.732   3.219  -2.781
  138    HE   ARG  18           HE       ARG  18  12.268   4.288  -5.051
  139   HH11  ARG  18          1HH1      ARG  18  12.079   3.266  -1.705
  140   HH12  ARG  18          2HH1      ARG  18  13.629   3.925  -1.284
  141   HH21  ARG  18          1HH2      ARG  18  14.318   5.154  -4.500
  142   HH22  ARG  18          2HH2      ARG  18  14.906   4.998  -2.879
  Start of MODEL    4
    1    H    GLY   1           H        GLY   1  10.550  -2.806  -1.347
    2    HA2  GLY   1           2HA      GLY   1  12.531  -2.932   0.278
    3    HA3  GLY   1           1HA      GLY   1  11.848  -1.440   0.907
    4    H    PHE   2           H        PHE   2   9.051  -2.516   0.330
    5    HA   PHE   2           HA       PHE   2   8.764  -4.825   1.983
    6    HB2  PHE   2           2HB      PHE   2   7.574  -3.705   3.873
    7    HB3  PHE   2           1HB      PHE   2   9.269  -3.255   3.771
    8    HD1  PHE   2           HD1      PHE   2   9.882  -1.011   2.838
    9    HD2  PHE   2           HD2      PHE   2   5.865  -2.094   3.739
   10    HE1  PHE   2           HE1      PHE   2   9.249   1.365   2.855
   11    HE2  PHE   2           HE2      PHE   2   5.226   0.282   3.754
   12    HZ   PHE   2           HZ       PHE   2   6.918   2.014   3.312
   13    H    CYS   3           H        CYS   3   6.740  -5.797   1.506
   14    HA   CYS   3           HA       CYS   3   4.870  -4.121  -0.019
   15    HB2  CYS   3           2HB      CYS   3   5.320  -7.116  -0.015
   16    HB3  CYS   3           1HB      CYS   3   3.984  -6.331  -0.854
   17    H    ARG   4           H        ARG   4   2.766  -3.902   0.654
   18    HA   ARG   4           HA       ARG   4   2.004  -5.397   3.080
   19    HB2  ARG   4           2HB      ARG   4   2.036  -2.488   2.566
   20    HB3  ARG   4           1HB      ARG   4   0.592  -3.102   3.360
   21    HG2  ARG   4           2HG      ARG   4   1.657  -3.449   5.293
   22    HG3  ARG   4           1HG      ARG   4   3.088  -4.109   4.498
   23    HD2  ARG   4           2HD      ARG   4   4.098  -2.065   4.313
   24    HD3  ARG   4           1HD      ARG   4   2.565  -1.195   4.253
   25    HE   ARG   4           HE       ARG   4   3.027  -2.415   6.796
   26   HH11  ARG   4          1HH1      ARG   4   3.817   0.366   4.828
   27   HH12  ARG   4          2HH1      ARG   4   4.137   1.400   6.180
   28   HH21  ARG   4          1HH2      ARG   4   3.446  -1.056   8.594
   29   HH22  ARG   4          2HH2      ARG   4   3.923   0.588   8.332
   30    H    CYS   5           H        CYS   5  -0.131  -6.039   3.250
   31    HA   CYS   5           HA       CYS   5  -1.761  -5.650   0.828
   32    HB2  CYS   5           2HB      CYS   5  -1.374  -8.079   2.566
   33    HB3  CYS   5           1HB      CYS   5  -2.790  -7.907   1.535
   34    H    LEU   6           H        LEU   6  -2.363  -3.697   2.222
   35    HA   LEU   6           HA       LEU   6  -4.344  -4.390   4.266
   36    HB2  LEU   6           2HB      LEU   6  -4.322  -1.786   4.516
   37    HB3  LEU   6           1HB      LEU   6  -3.038  -2.759   5.206
   38    HG   LEU   6           HG       LEU   6  -2.050  -2.198   2.707
   39   HD11  LEU   6          1HD1      LEU   6  -3.180   0.398   3.680
   40   HD12  LEU   6          2HD1      LEU   6  -4.066  -0.609   2.535
   41   HD13  LEU   6          3HD1      LEU   6  -2.469   0.010   2.114
   42   HD21  LEU   6          1HD2      LEU   6  -0.805  -0.342   4.047
   43   HD22  LEU   6          2HD2      LEU   6  -0.589  -2.038   4.481
   44   HD23  LEU   6          3HD2      LEU   6  -1.675  -1.017   5.424
   45    H    CYS   7           H        CYS   7  -4.168  -3.683   1.027
   46    HA   CYS   7           HA       CYS   7  -5.707  -3.346  -0.589
   47    HB2  CYS   7           2HB      CYS   7  -7.420  -4.054   1.714
   48    HB3  CYS   7           1HB      CYS   7  -8.217  -3.195   0.397
   49    H    ARG   8           H        ARG   8  -6.754  -1.711  -1.640
   50    HA   ARG   8           HA       ARG   8  -6.943   0.838  -0.186
   51    HB2  ARG   8           2HB      ARG   8  -5.329   0.159  -2.400
   52    HB3  ARG   8           1HB      ARG   8  -6.616   1.160  -3.050
   53    HG2  ARG   8           2HG      ARG   8  -4.712   2.517  -2.459
   54    HG3  ARG   8           1HG      ARG   8  -6.068   2.899  -1.397
   55    HD2  ARG   8           2HD      ARG   8  -4.811   2.449   0.377
   56    HD3  ARG   8           1HD      ARG   8  -4.587   0.798  -0.198
   57    HE   ARG   8           HE       ARG   8  -2.693   1.824  -1.564
   58   HH11  ARG   8          1HH1      ARG   8  -3.691   2.987   1.579
   59   HH12  ARG   8          2HH1      ARG   8  -2.136   3.634   1.984
   60   HH21  ARG   8          1HH2      ARG   8  -0.628   2.671  -1.039
   61   HH22  ARG   8          2HH2      ARG   8  -0.387   3.452   0.488
   62    H    ARG   9           H        ARG   9  -8.709   2.232  -0.802
   63    HA   ARG   9           HA       ARG   9 -11.109   0.842  -1.259
   64    HB2  ARG   9           2HB      ARG   9 -10.488   3.300  -0.276
   65    HB3  ARG   9           1HB      ARG   9 -11.136   3.730  -1.853
   66    HG2  ARG   9           2HG      ARG   9 -12.858   3.777  -0.132
   67    HG3  ARG   9           1HG      ARG   9 -13.198   2.543  -1.347
   68    HD2  ARG   9           2HD      ARG   9 -13.583   1.299   0.515
   69    HD3  ARG   9           1HD      ARG   9 -11.847   1.035   0.376
   70    HE   ARG   9           HE       ARG   9 -12.763   3.257   2.036
   71   HH11  ARG   9          1HH1      ARG   9 -11.441   0.023   1.841
   72   HH12  ARG   9          2HH1      ARG   9 -10.889   0.004   3.482
   73   HH21  ARG   9          1HH2      ARG   9 -12.041   3.242   4.214
   74   HH22  ARG   9          2HH2      ARG   9 -11.231   1.843   4.836
   75    H    GLY  10           H        GLY  10 -10.642  -0.323  -3.164
   76    HA2  GLY  10           2HA      GLY  10 -11.823  -0.199  -5.381
   77    HA3  GLY  10           1HA      GLY  10 -10.880   1.261  -5.652
   78    H    VAL  11           H        VAL  11  -8.666  -0.223  -4.094
   79    HA   VAL  11           HA       VAL  11  -7.762  -1.960  -6.296
   80    HB   VAL  11           HB       VAL  11  -5.858  -0.285  -4.662
   81   HG11  VAL  11          1HG1      VAL  11  -5.050  -0.884  -7.352
   82   HG12  VAL  11          2HG1      VAL  11  -5.519  -2.361  -6.512
   83   HG13  VAL  11          3HG1      VAL  11  -4.275  -1.315  -5.827
   84   HG21  VAL  11          1HG2      VAL  11  -7.058   1.423  -5.683
   85   HG22  VAL  11          2HG2      VAL  11  -7.352   0.480  -7.143
   86   HG23  VAL  11          3HG2      VAL  11  -5.744   1.128  -6.822
   87    H    CYS  12           H        CYS  12  -8.505  -3.767  -5.070
   88    HA   CYS  12           HA       CYS  12  -7.143  -4.248  -2.524
   89    HB2  CYS  12           2HB      CYS  12  -9.712  -4.956  -3.560
   90    HB3  CYS  12           1HB      CYS  12  -8.827  -6.436  -3.204
   91    H    ARG  13           H        ARG  13  -5.282  -4.274  -4.317
   92    HA   ARG  13           HA       ARG  13  -4.725  -7.122  -4.786
   93    HB2  ARG  13           2HB      ARG  13  -5.225  -5.427  -6.834
   94    HB3  ARG  13           1HB      ARG  13  -3.493  -5.179  -6.652
   95    HG2  ARG  13           2HG      ARG  13  -3.277  -7.711  -6.754
   96    HG3  ARG  13           1HG      ARG  13  -4.952  -7.718  -7.307
   97    HD2  ARG  13           2HD      ARG  13  -3.120  -7.732  -9.087
   98    HD3  ARG  13           1HD      ARG  13  -4.427  -6.565  -9.274
   99    HE   ARG  13           HE       ARG  13  -1.976  -5.675  -7.955
  100   HH11  ARG  13          1HH1      ARG  13  -3.999  -5.688 -10.808
  101   HH12  ARG  13          2HH1      ARG  13  -3.241  -4.303 -11.518
  102   HH21  ARG  13          1HH2      ARG  13  -0.963  -3.841  -8.884
  103   HH22  ARG  13          2HH2      ARG  13  -1.506  -3.248 -10.418
  104    H    CYS  14           H        CYS  14  -4.067  -5.289  -2.624
  105    HA   CYS  14           HA       CYS  14  -2.364  -4.860  -1.204
  106    HB2  CYS  14           2HB      CYS  14  -0.759  -6.638  -3.052
  107    HB3  CYS  14           1HB      CYS  14  -0.264  -6.125  -1.442
  108    H    ILE  15           H        ILE  15   0.002  -3.993  -1.133
  109    HA   ILE  15           HA       ILE  15   0.507  -2.240  -3.428
  110    HB   ILE  15           HB       ILE  15   1.260  -0.568  -1.466
  111   HG12  ILE  15          2HG1      ILE  15  -1.343  -1.227  -0.282
  112   HG13  ILE  15          1HG1      ILE  15  -0.109  -2.450   0.008
  113   HG21  ILE  15          1HG2      ILE  15  -0.013   0.423  -3.056
  114   HG22  ILE  15          2HG2      ILE  15  -1.220   0.344  -1.772
  115   HG23  ILE  15          3HG2      ILE  15  -1.217  -0.865  -3.056
  116   HD11  ILE  15          1HD1      ILE  15   1.110   0.029   0.497
  117   HD12  ILE  15          2HD1      ILE  15   0.654  -1.209   1.668
  118   HD13  ILE  15          3HD1      ILE  15  -0.475   0.085   1.268
  119    H    CYS  16           H        CYS  16   2.607  -2.684  -4.073
  120    HA   CYS  16           HA       CYS  16   4.462  -3.674  -2.045
  121    HB2  CYS  16           2HB      CYS  16   4.083  -4.156  -4.926
  122    HB3  CYS  16           1HB      CYS  16   5.764  -3.992  -4.427
  123    H    THR  17           H        THR  17   5.751  -2.215  -1.170
  124    HA   THR  17           HA       THR  17   6.565   0.114  -2.760
  125    HB   THR  17           HB       THR  17   7.471   0.405  -0.097
  126    HG1  THR  17           HG1      THR  17   6.019  -1.253   0.524
  127   HG21  THR  17          1HG2      THR  17   6.731   2.412  -0.803
  128   HG22  THR  17          2HG2      THR  17   5.158   1.884  -0.211
  129   HG23  THR  17          3HG2      THR  17   5.566   1.690  -1.915
  130    H    ARG  18           H        ARG  18   8.780   0.512  -3.089
  131    HA   ARG  18           HA       ARG  18  10.481  -1.675  -3.305
  132    HB2  ARG  18           2HB      ARG  18  10.806   1.276  -3.465
  133    HB3  ARG  18           1HB      ARG  18  12.269   0.320  -3.280
  134    HG2  ARG  18           2HG      ARG  18  11.171  -1.051  -5.269
  135    HG3  ARG  18           1HG      ARG  18  10.394   0.506  -5.565
  136    HD2  ARG  18           2HD      ARG  18  12.410   1.582  -5.958
  137    HD3  ARG  18           1HD      ARG  18  13.345   0.356  -5.102
  138    HE   ARG  18           HE       ARG  18  12.813  -1.137  -7.028
  139   HH11  ARG  18          1HH1      ARG  18  12.786   2.338  -7.417
  140   HH12  ARG  18          2HH1      ARG  18  13.117   2.286  -9.116
  141   HH21  ARG  18          1HH2      ARG  18  13.248  -1.223  -9.278
  142   HH22  ARG  18          2HH2      ARG  18  13.380   0.250 -10.180
  Start of MODEL    5
    1    H    GLY   1           H        GLY   1   9.313   0.711  -0.511
    2    HA2  GLY   1           2HA      GLY   1  10.568   1.897   1.403
    3    HA3  GLY   1           1HA      GLY   1   8.953   2.448   1.832
    4    H    PHE   2           H        PHE   2   7.629  -0.027   1.034
    5    HA   PHE   2           HA       PHE   2   8.695  -2.296   2.268
    6    HB2  PHE   2           2HB      PHE   2   7.546  -2.379   4.409
    7    HB3  PHE   2           1HB      PHE   2   8.483  -0.896   4.339
    8    HD1  PHE   2           HD1      PHE   2   7.067   1.173   3.343
    9    HD2  PHE   2           HD2      PHE   2   5.451  -2.241   5.305
   10    HE1  PHE   2           HE1      PHE   2   5.065   2.469   3.942
   11    HE2  PHE   2           HE2      PHE   2   3.445  -0.951   5.902
   12    HZ   PHE   2           HZ       PHE   2   3.248   1.407   5.221
   13    H    CYS   3           H        CYS   3   7.346  -4.084   1.634
   14    HA   CYS   3           HA       CYS   3   4.963  -3.281   0.193
   15    HB2  CYS   3           2HB      CYS   3   5.785  -6.151   0.374
   16    HB3  CYS   3           1HB      CYS   3   5.148  -5.256  -1.001
   17    H    ARG   4           H        ARG   4   3.084  -3.166   1.185
   18    HA   ARG   4           HA       ARG   4   2.509  -5.143   3.292
   19    HB2  ARG   4           2HB      ARG   4   0.919  -3.286   4.152
   20    HB3  ARG   4           1HB      ARG   4   2.637  -3.151   4.492
   21    HG2  ARG   4           2HG      ARG   4   2.503  -1.091   3.677
   22    HG3  ARG   4           1HG      ARG   4   2.358  -1.835   2.084
   23    HD2  ARG   4           2HD      ARG   4  -0.127  -1.639   3.666
   24    HD3  ARG   4           1HD      ARG   4   0.553  -0.116   3.098
   25    HE   ARG   4           HE       ARG   4   0.010  -2.349   1.247
   26   HH11  ARG   4          1HH1      ARG   4  -0.355   1.001   2.190
   27   HH12  ARG   4          2HH1      ARG   4  -1.146   1.465   0.722
   28   HH21  ARG   4          1HH2      ARG   4  -1.042  -1.751  -0.693
   29   HH22  ARG   4          2HH2      ARG   4  -1.537  -0.106  -0.923
   30    H    CYS   5           H        CYS   5   0.525  -6.124   3.258
   31    HA   CYS   5           HA       CYS   5  -0.968  -5.867   0.776
   32    HB2  CYS   5           2HB      CYS   5  -0.344  -8.018   2.478
   33    HB3  CYS   5           1HB      CYS   5  -2.080  -7.778   2.640
   34    H    LEU   6           H        LEU   6  -2.866  -4.853   0.607
   35    HA   LEU   6           HA       LEU   6  -4.570  -4.470   2.917
   36    HB2  LEU   6           2HB      LEU   6  -2.848  -2.554   2.778
   37    HB3  LEU   6           1HB      LEU   6  -3.739  -2.036   1.361
   38    HG   LEU   6           HG       LEU   6  -5.687  -2.395   3.332
   39   HD11  LEU   6          1HD1      LEU   6  -4.975  -1.383   5.283
   40   HD12  LEU   6          2HD1      LEU   6  -3.558  -0.666   4.519
   41   HD13  LEU   6          3HD1      LEU   6  -3.595  -2.396   4.858
   42   HD21  LEU   6          1HD2      LEU   6  -5.022  -0.542   1.474
   43   HD22  LEU   6          2HD2      LEU   6  -4.633   0.324   2.961
   44   HD23  LEU   6          3HD2      LEU   6  -6.260  -0.311   2.710
   45    H    CYS   7           H        CYS   7  -6.668  -4.496   2.326
   46    HA   CYS   7           HA       CYS   7  -7.296  -4.007  -0.499
   47    HB2  CYS   7           2HB      CYS   7  -7.898  -6.414   1.157
   48    HB3  CYS   7           1HB      CYS   7  -9.102  -5.894  -0.018
   49    H    ARG   8           H        ARG   8  -8.884  -2.618  -0.798
   50    HA   ARG   8           HA       ARG   8 -10.510  -1.824   1.505
   51    HB2  ARG   8           2HB      ARG   8  -9.147  -0.368  -0.473
   52    HB3  ARG   8           1HB      ARG   8 -10.844  -0.199  -0.887
   53    HG2  ARG   8           2HG      ARG   8 -11.308   1.043   0.956
   54    HG3  ARG   8           1HG      ARG   8 -10.091   0.232   1.944
   55    HD2  ARG   8           2HD      ARG   8  -9.480   2.559   1.497
   56    HD3  ARG   8           1HD      ARG   8  -8.324   1.437   0.782
   57    HE   ARG   8           HE       ARG   8  -9.992   1.896  -1.266
   58   HH11  ARG   8          1HH1      ARG   8  -8.373   4.070   0.940
   59   HH12  ARG   8          2HH1      ARG   8  -8.262   5.364  -0.204
   60   HH21  ARG   8          1HH2      ARG   8  -9.855   3.601  -2.792
   61   HH22  ARG   8          2HH2      ARG   8  -9.110   5.097  -2.337
   62    H    ARG   9           H        ARG   9 -12.806  -1.673   1.304
   63    HA   ARG   9           HA       ARG   9 -13.989  -3.823  -0.043
   64    HB2  ARG   9           2HB      ARG   9 -14.812  -2.428   2.002
   65    HB3  ARG   9           1HB      ARG   9 -15.583  -1.420   0.785
   66    HG2  ARG   9           2HG      ARG   9 -16.053  -4.317   0.534
   67    HG3  ARG   9           1HG      ARG   9 -16.759  -3.535   1.950
   68    HD2  ARG   9           2HD      ARG   9 -17.098  -2.395  -0.806
   69    HD3  ARG   9           1HD      ARG   9 -18.164  -3.660  -0.199
   70    HE   ARG   9           HE       ARG   9 -18.895  -2.143   1.514
   71   HH11  ARG   9          1HH1      ARG   9 -16.936  -0.698  -1.008
   72   HH12  ARG   9          2HH1      ARG   9 -17.547   0.904  -0.739
   73   HH21  ARG   9          1HH2      ARG   9 -19.695  -0.024   1.877
   74   HH22  ARG   9          2HH2      ARG   9 -19.113   1.288   0.909
   75    H    GLY  10           H        GLY  10 -13.181  -3.530  -2.196
   76    HA2  GLY  10           2HA      GLY  10 -14.621  -3.203  -4.257
   77    HA3  GLY  10           1HA      GLY  10 -14.673  -1.518  -3.764
   78    H    VAL  11           H        VAL  11 -11.726  -2.063  -2.829
   79    HA   VAL  11           HA       VAL  11 -10.413  -2.196  -5.427
   80    HB   VAL  11           HB       VAL  11  -9.007  -0.108  -4.467
   81   HG11  VAL  11          1HG1      VAL  11 -11.164   1.014  -5.945
   82   HG12  VAL  11          2HG1      VAL  11 -10.818  -0.596  -6.577
   83   HG13  VAL  11          3HG1      VAL  11  -9.536   0.612  -6.490
   84   HG21  VAL  11          1HG2      VAL  11 -10.123   1.359  -3.185
   85   HG22  VAL  11          2HG2      VAL  11 -11.100  -0.038  -2.736
   86   HG23  VAL  11          3HG2      VAL  11 -11.658   1.061  -3.999
   87    H    CYS  12           H        CYS  12  -9.087  -3.848  -5.011
   88    HA   CYS  12           HA       CYS  12  -7.773  -4.105  -2.444
   89    HB2  CYS  12           2HB      CYS  12  -8.186  -5.808  -4.816
   90    HB3  CYS  12           1HB      CYS  12  -6.630  -6.020  -4.019
   91    H    ARG  13           H        ARG  13  -5.651  -3.661  -2.008
   92    HA   ARG  13           HA       ARG  13  -3.992  -2.739  -4.254
   93    HB2  ARG  13           2HB      ARG  13  -5.112  -1.039  -2.400
   94    HB3  ARG  13           1HB      ARG  13  -3.507  -1.320  -1.742
   95    HG2  ARG  13           2HG      ARG  13  -3.853   0.663  -3.333
   96    HG3  ARG  13           1HG      ARG  13  -2.447  -0.374  -3.576
   97    HD2  ARG  13           2HD      ARG  13  -4.706  -1.390  -5.039
   98    HD3  ARG  13           1HD      ARG  13  -4.424   0.302  -5.447
   99    HE   ARG  13           HE       ARG  13  -2.051  -0.425  -5.884
  100   HH11  ARG  13          1HH1      ARG  13  -4.748  -2.641  -6.206
  101   HH12  ARG  13          2HH1      ARG  13  -3.955  -3.631  -7.392
  102   HH21  ARG  13          1HH2      ARG  13  -0.998  -1.737  -7.439
  103   HH22  ARG  13          2HH2      ARG  13  -1.816  -3.118  -8.089
  104    H    CYS  14           H        CYS  14  -3.852  -5.277  -3.224
  105    HA   CYS  14           HA       CYS  14  -1.753  -5.435  -1.257
  106    HB2  CYS  14           2HB      CYS  14  -3.498  -7.334  -2.693
  107    HB3  CYS  14           1HB      CYS  14  -1.878  -7.936  -2.355
  108    H    ILE  15           H        ILE  15  -0.025  -4.346  -2.112
  109    HA   ILE  15           HA       ILE  15   1.580  -5.802  -4.002
  110    HB   ILE  15           HB       ILE  15  -0.033  -4.269  -5.336
  111   HG12  ILE  15          2HG1      ILE  15   2.480  -3.437  -6.401
  112   HG13  ILE  15          1HG1      ILE  15   2.673  -5.053  -5.730
  113   HG21  ILE  15          1HG2      ILE  15   0.160  -2.029  -5.289
  114   HG22  ILE  15          2HG2      ILE  15   1.901  -2.073  -5.008
  115   HG23  ILE  15          3HG2      ILE  15   0.785  -2.328  -3.666
  116   HD11  ILE  15          1HD1      ILE  15   2.024  -4.904  -8.161
  117   HD12  ILE  15          2HD1      ILE  15   0.446  -4.342  -7.609
  118   HD13  ILE  15          3HD1      ILE  15   1.023  -5.944  -7.148
  119    H    CYS  16           H        CYS  16   3.717  -4.550  -4.335
  120    HA   CYS  16           HA       CYS  16   4.648  -3.799  -1.734
  121    HB2  CYS  16           2HB      CYS  16   5.999  -5.121  -3.455
  122    HB3  CYS  16           1HB      CYS  16   6.209  -3.593  -4.312
  123    H    THR  17           H        THR  17   5.143  -1.815  -0.964
  124    HA   THR  17           HA       THR  17   4.540   0.477  -2.704
  125    HB   THR  17           HB       THR  17   4.568   1.345  -0.023
  126    HG1  THR  17           HG1      THR  17   4.360  -0.725   0.779
  127   HG21  THR  17          1HG2      THR  17   2.653   1.070  -2.215
  128   HG22  THR  17          2HG2      THR  17   2.862   2.386  -1.059
  129   HG23  THR  17          3HG2      THR  17   1.900   0.975  -0.624
  130    H    ARG  18           H        ARG  18   6.077   2.179  -2.762
  131    HA   ARG  18           HA       ARG  18   8.754   1.485  -2.484
  132    HB2  ARG  18           2HB      ARG  18   7.291   4.046  -2.906
  133    HB3  ARG  18           1HB      ARG  18   8.995   4.129  -2.484
  134    HG2  ARG  18           2HG      ARG  18   7.895   2.549  -4.799
  135    HG3  ARG  18           1HG      ARG  18   8.552   4.181  -4.923
  136    HD2  ARG  18           2HD      ARG  18  10.494   3.139  -5.345
  137    HD3  ARG  18           1HD      ARG  18  10.550   2.897  -3.599
  138    HE   ARG  18           HE       ARG  18   9.110   0.777  -4.692
  139   HH11  ARG  18          1HH1      ARG  18  12.361   2.055  -4.814
  140   HH12  ARG  18          2HH1      ARG  18  13.103   0.515  -5.088
  141   HH21  ARG  18          1HH2      ARG  18  10.078  -1.274  -5.052
  142   HH22  ARG  18          2HH2      ARG  18  11.798  -1.389  -5.222
  Start of MODEL    6
    1    H    GLY   1           H        GLY   1  10.805  -5.036  -0.512
    2    HA2  GLY   1           2HA      GLY   1  12.690  -3.841   0.799
    3    HA3  GLY   1           1HA      GLY   1  12.325  -2.528  -0.316
    4    H    PHE   2           H        PHE   2   9.424  -3.368  -0.301
    5    HA   PHE   2           HA       PHE   2   8.536  -2.952   2.399
    6    HB2  PHE   2           2HB      PHE   2   9.104  -0.648   1.824
    7    HB3  PHE   2           1HB      PHE   2   8.135  -0.751   0.358
    8    HD1  PHE   2           HD1      PHE   2   7.792  -1.190   4.046
    9    HD2  PHE   2           HD2      PHE   2   5.992   0.081   0.406
   10    HE1  PHE   2           HE1      PHE   2   5.823  -0.410   5.297
   11    HE2  PHE   2           HE2      PHE   2   4.019   0.865   1.651
   12    HZ   PHE   2           HZ       PHE   2   3.934   0.619   4.099
   13    H    CYS   3           H        CYS   3   6.510  -3.944   2.608
   14    HA   CYS   3           HA       CYS   3   4.860  -4.172   0.196
   15    HB2  CYS   3           2HB      CYS   3   5.936  -6.363   1.906
   16    HB3  CYS   3           1HB      CYS   3   4.288  -6.529   1.313
   17    H    ARG   4           H        ARG   4   2.669  -4.019   0.547
   18    HA   ARG   4           HA       ARG   4   1.855  -3.633   3.352
   19    HB2  ARG   4           2HB      ARG   4   1.906  -1.672   1.425
   20    HB3  ARG   4           1HB      ARG   4   0.231  -2.206   1.383
   21    HG2  ARG   4           2HG      ARG   4   1.028  -0.285   2.996
   22    HG3  ARG   4           1HG      ARG   4  -0.218  -1.438   3.479
   23    HD2  ARG   4           2HD      ARG   4   2.461  -2.397   4.069
   24    HD3  ARG   4           1HD      ARG   4   2.118  -0.856   4.854
   25    HE   ARG   4           HE       ARG   4   0.119  -1.953   5.808
   26   HH11  ARG   4          1HH1      ARG   4   2.807  -3.930   4.723
   27   HH12  ARG   4          2HH1      ARG   4   2.384  -5.274   5.733
   28   HH21  ARG   4          1HH2      ARG   4  -0.431  -3.729   7.144
   29   HH22  ARG   4          2HH2      ARG   4   0.544  -5.160   7.110
   30    H    CYS   5           H        CYS   5   0.288  -4.024   0.173
   31    HA   CYS   5           HA       CYS   5  -1.471  -5.266  -0.522
   32    HB2  CYS   5           2HB      CYS   5  -0.024  -7.089   1.340
   33    HB3  CYS   5           1HB      CYS   5  -1.610  -7.589   0.762
   34    H    LEU   6           H        LEU   6  -2.700  -3.481   0.550
   35    HA   LEU   6           HA       LEU   6  -4.255  -4.432   2.851
   36    HB2  LEU   6           2HB      LEU   6  -3.197  -1.891   2.115
   37    HB3  LEU   6           1HB      LEU   6  -4.946  -1.768   2.119
   38    HG   LEU   6           HG       LEU   6  -4.837  -2.826   4.457
   39   HD11  LEU   6          1HD1      LEU   6  -2.240  -1.683   4.980
   40   HD12  LEU   6          2HD1      LEU   6  -2.137  -3.005   3.818
   41   HD13  LEU   6          3HD1      LEU   6  -2.876  -3.274   5.397
   42   HD21  LEU   6          1HD2      LEU   6  -4.837  -0.219   3.561
   43   HD22  LEU   6          2HD2      LEU   6  -3.559  -0.237   4.774
   44   HD23  LEU   6          3HD2      LEU   6  -5.188  -0.755   5.204
   45    H    CYS   7           H        CYS   7  -5.808  -5.720   2.008
   46    HA   CYS   7           HA       CYS   7  -7.248  -4.934  -0.372
   47    HB2  CYS   7           2HB      CYS   7  -7.752  -7.275   1.473
   48    HB3  CYS   7           1HB      CYS   7  -8.451  -7.036  -0.123
   49    H    ARG   8           H        ARG   8  -8.823  -3.511  -0.294
   50    HA   ARG   8           HA       ARG   8 -10.345  -3.125   2.163
   51    HB2  ARG   8           2HB      ARG   8  -9.310  -1.305   0.473
   52    HB3  ARG   8           1HB      ARG   8 -10.879  -1.507  -0.287
   53    HG2  ARG   8           2HG      ARG   8 -10.947  -1.098   2.623
   54    HG3  ARG   8           1HG      ARG   8 -10.332   0.261   1.681
   55    HD2  ARG   8           2HD      ARG   8 -12.570  -0.620   0.278
   56    HD3  ARG   8           1HD      ARG   8 -13.044  -0.706   1.974
   57    HE   ARG   8           HE       ARG   8 -12.080   1.714   1.967
   58   HH11  ARG   8          1HH1      ARG   8 -13.959   0.185  -0.559
   59   HH12  ARG   8          2HH1      ARG   8 -14.647   1.667  -1.128
   60   HH21  ARG   8          1HH2      ARG   8 -12.991   3.686   1.221
   61   HH22  ARG   8          2HH2      ARG   8 -14.094   3.666  -0.114
   62    H    ARG   9           H        ARG   9 -12.727  -3.054   2.043
   63    HA   ARG   9           HA       ARG   9 -13.715  -5.354   0.730
   64    HB2  ARG   9           2HB      ARG   9 -14.651  -3.524   2.711
   65    HB3  ARG   9           1HB      ARG   9 -15.891  -3.678   1.476
   66    HG2  ARG   9           2HG      ARG   9 -15.974  -5.271   3.469
   67    HG3  ARG   9           1HG      ARG   9 -16.161  -5.958   1.855
   68    HD2  ARG   9           2HD      ARG   9 -14.671  -7.412   2.907
   69    HD3  ARG   9           1HD      ARG   9 -13.626  -6.362   1.952
   70    HE   ARG   9           HE       ARG   9 -14.090  -5.859   4.818
   71   HH11  ARG   9          1HH1      ARG   9 -11.922  -6.468   2.141
   72   HH12  ARG   9          2HH1      ARG   9 -10.483  -6.110   3.044
   73   HH21  ARG   9          1HH2      ARG   9 -12.191  -5.412   6.033
   74   HH22  ARG   9          2HH2      ARG   9 -10.641  -5.528   5.268
   75    H    GLY  10           H        GLY  10 -13.121  -4.932  -1.430
   76    HA2  GLY  10           2HA      GLY  10 -14.817  -4.603  -3.344
   77    HA3  GLY  10           1HA      GLY  10 -14.750  -2.921  -2.838
   78    H    VAL  11           H        VAL  11 -11.830  -3.151  -2.194
   79    HA   VAL  11           HA       VAL  11 -10.601  -3.712  -4.767
   80    HB   VAL  11           HB       VAL  11  -9.385  -1.373  -4.468
   81   HG11  VAL  11          1HG1      VAL  11 -11.340  -2.406  -6.187
   82   HG12  VAL  11          2HG1      VAL  11 -10.242  -1.059  -6.484
   83   HG13  VAL  11          3HG1      VAL  11 -11.841  -0.758  -5.808
   84   HG21  VAL  11          1HG2      VAL  11 -12.028  -0.261  -3.875
   85   HG22  VAL  11          2HG2      VAL  11 -10.430   0.254  -3.341
   86   HG23  VAL  11          3HG2      VAL  11 -11.252  -1.066  -2.510
   87    H    CYS  12           H        CYS  12  -8.747  -4.753  -4.333
   88    HA   CYS  12           HA       CYS  12  -7.535  -4.315  -1.703
   89    HB2  CYS  12           2HB      CYS  12  -8.006  -6.639  -2.120
   90    HB3  CYS  12           1HB      CYS  12  -7.193  -6.576  -3.682
   91    H    ARG  13           H        ARG  13  -5.700  -3.258  -1.487
   92    HA   ARG  13           HA       ARG  13  -4.206  -2.572  -3.921
   93    HB2  ARG  13           2HB      ARG  13  -4.483  -1.236  -1.238
   94    HB3  ARG  13           1HB      ARG  13  -3.166  -0.828  -2.328
   95    HG2  ARG  13           2HG      ARG  13  -4.518   0.648  -3.273
   96    HG3  ARG  13           1HG      ARG  13  -5.458  -0.707  -3.903
   97    HD2  ARG  13           2HD      ARG  13  -6.856   0.913  -2.693
   98    HD3  ARG  13           1HD      ARG  13  -6.873  -0.679  -1.937
   99    HE   ARG  13           HE       ARG  13  -5.688   0.178  -0.125
  100   HH11  ARG  13          1HH1      ARG  13  -6.171   2.616  -2.587
  101   HH12  ARG  13          2HH1      ARG  13  -5.722   3.935  -1.559
  102   HH21  ARG  13          1HH2      ARG  13  -5.093   1.919   1.246
  103   HH22  ARG  13          2HH2      ARG  13  -5.105   3.537   0.629
  104    H    CYS  14           H        CYS  14  -3.196  -4.677  -3.905
  105    HA   CYS  14           HA       CYS  14  -1.492  -5.391  -1.702
  106    HB2  CYS  14           2HB      CYS  14  -2.614  -6.754  -3.897
  107    HB3  CYS  14           1HB      CYS  14  -0.868  -6.846  -4.105
  108    H    ILE  15           H        ILE  15  -0.432  -3.215  -1.869
  109    HA   ILE  15           HA       ILE  15   1.435  -2.742  -3.978
  110    HB   ILE  15           HB       ILE  15   1.622  -1.505  -1.245
  111   HG12  ILE  15          2HG1      ILE  15   0.037  -0.018  -3.205
  112   HG13  ILE  15          1HG1      ILE  15  -0.726  -1.523  -2.701
  113   HG21  ILE  15          1HG2      ILE  15   3.037  -1.168  -3.617
  114   HG22  ILE  15          2HG2      ILE  15   3.071  -0.117  -2.201
  115   HG23  ILE  15          3HG2      ILE  15   1.960   0.227  -3.527
  116   HD11  ILE  15          1HD1      ILE  15  -1.192  -0.739  -0.660
  117   HD12  ILE  15          2HD1      ILE  15  -0.959   0.840  -1.408
  118   HD13  ILE  15          3HD1      ILE  15   0.359   0.087  -0.509
  119    H    CYS  16           H        CYS  16   2.844  -4.565  -4.121
  120    HA   CYS  16           HA       CYS  16   4.560  -4.968  -1.770
  121    HB2  CYS  16           2HB      CYS  16   3.026  -6.872  -3.188
  122    HB3  CYS  16           1HB      CYS  16   4.710  -7.176  -3.604
  123    H    THR  17           H        THR  17   6.514  -4.231  -2.038
  124    HA   THR  17           HA       THR  17   7.788  -4.374  -4.684
  125    HB   THR  17           HB       THR  17   8.831  -2.075  -3.477
  126    HG1  THR  17           HG1      THR  17   6.867  -2.270  -2.088
  127   HG21  THR  17          1HG2      THR  17   7.221  -2.764  -5.812
  128   HG22  THR  17          2HG2      THR  17   8.559  -1.625  -5.660
  129   HG23  THR  17          3HG2      THR  17   6.923  -1.127  -5.233
  130    H    ARG  18           H        ARG  18  10.031  -4.831  -4.599
  131    HA   ARG  18           HA       ARG  18  10.973  -6.226  -2.364
  132    HB2  ARG  18           2HB      ARG  18  13.288  -5.748  -3.558
  133    HB3  ARG  18           1HB      ARG  18  12.119  -6.864  -4.245
  134    HG2  ARG  18           2HG      ARG  18  11.980  -5.662  -6.100
  135    HG3  ARG  18           1HG      ARG  18  11.603  -4.201  -5.183
  136    HD2  ARG  18           2HD      ARG  18  14.419  -5.199  -5.332
  137    HD3  ARG  18           1HD      ARG  18  13.736  -4.280  -6.673
  138    HE   ARG  18           HE       ARG  18  13.622  -3.164  -3.958
  139   HH11  ARG  18          1HH1      ARG  18  14.889  -3.050  -7.224
  140   HH12  ARG  18          2HH1      ARG  18  15.516  -1.444  -7.067
  141   HH21  ARG  18          1HH2      ARG  18  14.451  -1.044  -3.742
  142   HH22  ARG  18          2HH2      ARG  18  15.268  -0.297  -5.076
  Start of MODEL    7
    1    H    GLY   1           H        GLY   1  10.156  -2.870  -0.078
    2    HA2  GLY   1           2HA      GLY   1  12.121  -2.731   1.771
    3    HA3  GLY   1           1HA      GLY   1  11.155  -1.299   2.119
    4    H    PHE   2           H        PHE   2   8.655  -2.631   1.192
    5    HA   PHE   2           HA       PHE   2   8.271  -4.918   2.872
    6    HB2  PHE   2           2HB      PHE   2   8.202  -2.767   4.381
    7    HB3  PHE   2           1HB      PHE   2   6.604  -2.553   3.674
    8    HD1  PHE   2           HD2      PHE   2   8.702  -4.941   5.580
    9    HD2  PHE   2           HD1      PHE   2   4.767  -3.739   4.493
   10    HE1  PHE   2           HE2      PHE   2   7.771  -6.512   7.227
   11    HE2  PHE   2           HE1      PHE   2   3.828  -5.308   6.138
   12    HZ   PHE   2           HZ       PHE   2   5.331  -6.698   7.508
   13    H    CYS   3           H        CYS   3   6.535  -6.110   1.970
   14    HA   CYS   3           HA       CYS   3   4.905  -4.619   0.047
   15    HB2  CYS   3           2HB      CYS   3   5.859  -7.466   0.087
   16    HB3  CYS   3           1HB      CYS   3   4.433  -7.018  -0.846
   17    H    ARG   4           H        ARG   4   3.313  -3.907   1.362
   18    HA   ARG   4           HA       ARG   4   1.749  -5.916   2.821
   19    HB2  ARG   4           2HB      ARG   4   2.629  -3.344   3.526
   20    HB3  ARG   4           1HB      ARG   4   0.900  -3.188   3.251
   21    HG2  ARG   4           2HG      ARG   4   0.775  -5.324   4.759
   22    HG3  ARG   4           1HG      ARG   4   2.358  -4.769   5.306
   23    HD2  ARG   4           2HD      ARG   4  -0.252  -3.268   5.415
   24    HD3  ARG   4           1HD      ARG   4   0.699  -3.862   6.775
   25    HE   ARG   4           HE       ARG   4   1.424  -1.605   5.028
   26   HH11  ARG   4          1HH1      ARG   4   1.809  -3.403   8.004
   27   HH12  ARG   4          2HH1      ARG   4   2.813  -2.207   8.753
   28   HH21  ARG   4          1HH2      ARG   4   2.751  -0.013   6.010
   29   HH22  ARG   4          2HH2      ARG   4   3.352  -0.273   7.615
   30    H    CYS   5           H        CYS   5  -0.432  -6.164   2.441
   31    HA   CYS   5           HA       CYS   5  -1.372  -5.076  -0.101
   32    HB2  CYS   5           2HB      CYS   5  -2.606  -7.266   1.584
   33    HB3  CYS   5           1HB      CYS   5  -3.014  -6.857  -0.080
   34    H    LEU   6           H        LEU   6  -2.734  -3.430  -0.132
   35    HA   LEU   6           HA       LEU   6  -4.138  -2.730   2.343
   36    HB2  LEU   6           2HB      LEU   6  -2.678  -1.198   0.530
   37    HB3  LEU   6           1HB      LEU   6  -4.351  -0.803   0.181
   38    HG   LEU   6           HG       LEU   6  -3.389  -0.736   3.014
   39   HD11  LEU   6          1HD1      LEU   6  -2.605   1.094   0.828
   40   HD12  LEU   6          2HD1      LEU   6  -1.771   0.688   2.327
   41   HD13  LEU   6          3HD1      LEU   6  -3.113   1.833   2.345
   42   HD21  LEU   6          1HD2      LEU   6  -5.498   0.715   1.424
   43   HD22  LEU   6          2HD2      LEU   6  -5.078   1.107   3.090
   44   HD23  LEU   6          3HD2      LEU   6  -5.742  -0.479   2.698
   45    H    CYS   7           H        CYS   7  -6.064  -3.661   2.424
   46    HA   CYS   7           HA       CYS   7  -7.576  -4.200   0.036
   47    HB2  CYS   7           2HB      CYS   7  -8.357  -4.585   2.931
   48    HB3  CYS   7           1HB      CYS   7  -9.201  -5.237   1.531
   49    H    ARG   8           H        ARG   8  -8.751  -2.738  -0.924
   50    HA   ARG   8           HA       ARG   8  -9.776  -0.428   0.518
   51    HB2  ARG   8           2HB      ARG   8  -8.842  -0.899  -2.093
   52    HB3  ARG   8           1HB      ARG   8 -10.564  -0.638  -2.289
   53    HG2  ARG   8           2HG      ARG   8 -10.417   1.555  -1.762
   54    HG3  ARG   8           1HG      ARG   8  -9.141   1.294  -0.569
   55    HD2  ARG   8           2HD      ARG   8  -8.337   0.722  -3.324
   56    HD3  ARG   8           1HD      ARG   8  -8.795   2.401  -3.048
   57    HE   ARG   8           HE       ARG   8  -6.960   2.669  -1.672
   58   HH11  ARG   8          1HH1      ARG   8  -7.283  -0.689  -2.606
   59   HH12  ARG   8          2HH1      ARG   8  -5.723  -1.146  -2.003
   60   HH21  ARG   8          1HH2      ARG   8  -4.881   2.081  -0.910
   61   HH22  ARG   8          2HH2      ARG   8  -4.347   0.440  -1.058
   62    H    ARG   9           H        ARG   9 -12.130   0.102   0.377
   63    HA   ARG   9           HA       ARG   9 -13.686  -2.139   1.074
   64    HB2  ARG   9           2HB      ARG   9 -13.983   0.683   1.118
   65    HB3  ARG   9           1HB      ARG   9 -15.382   0.025   0.283
   66    HG2  ARG   9           2HG      ARG   9 -15.501   0.344   2.826
   67    HG3  ARG   9           1HG      ARG   9 -16.089  -1.170   2.139
   68    HD2  ARG   9           2HD      ARG   9 -14.816  -1.852   3.970
   69    HD3  ARG   9           1HD      ARG   9 -13.726  -2.065   2.601
   70    HE   ARG   9           HE       ARG   9 -13.613   0.327   4.321
   71   HH11  ARG   9          1HH1      ARG   9 -12.069  -2.405   2.780
   72   HH12  ARG   9          2HH1      ARG   9 -10.460  -1.920   3.216
   73   HH21  ARG   9          1HH2      ARG   9 -11.491   0.969   4.926
   74   HH22  ARG   9          2HH2      ARG   9 -10.138  -0.005   4.457
   75    H    GLY  10           H        GLY  10 -13.298  -3.517  -0.741
   76    HA2  GLY  10           2HA      GLY  10 -15.165  -4.320  -2.317
   77    HA3  GLY  10           1HA      GLY  10 -14.807  -2.829  -3.175
   78    H    VAL  11           H        VAL  11 -11.874  -3.066  -2.595
   79    HA   VAL  11           HA       VAL  11 -11.135  -5.507  -4.010
   80    HB   VAL  11           HB       VAL  11  -9.555  -3.913  -5.435
   81   HG11  VAL  11          1HG1      VAL  11 -10.628  -4.935  -7.078
   82   HG12  VAL  11          2HG1      VAL  11 -12.054  -3.929  -6.828
   83   HG13  VAL  11          3HG1      VAL  11 -11.865  -5.431  -5.923
   84   HG21  VAL  11          1HG2      VAL  11 -11.912  -2.217  -5.799
   85   HG22  VAL  11          2HG2      VAL  11 -10.200  -1.797  -5.771
   86   HG23  VAL  11          3HG2      VAL  11 -11.084  -1.989  -4.258
   87    H    CYS  12           H        CYS  12  -9.361  -6.344  -3.117
   88    HA   CYS  12           HA       CYS  12  -7.660  -4.577  -1.504
   89    HB2  CYS  12           2HB      CYS  12  -8.658  -6.608  -0.409
   90    HB3  CYS  12           1HB      CYS  12  -7.706  -7.605  -1.506
   91    H    ARG  13           H        ARG  13  -5.524  -4.282  -1.979
   92    HA   ARG  13           HA       ARG  13  -4.219  -5.978  -3.937
   93    HB2  ARG  13           2HB      ARG  13  -5.512  -3.671  -4.816
   94    HB3  ARG  13           1HB      ARG  13  -3.825  -3.195  -4.685
   95    HG2  ARG  13           2HG      ARG  13  -3.833  -3.967  -6.819
   96    HG3  ARG  13           1HG      ARG  13  -3.451  -5.470  -5.975
   97    HD2  ARG  13           2HD      ARG  13  -6.085  -5.678  -5.901
   98    HD3  ARG  13           1HD      ARG  13  -5.973  -4.617  -7.305
   99    HE   ARG  13           HE       ARG  13  -4.748  -6.315  -8.442
  100   HH11  ARG  13          1HH1      ARG  13  -6.095  -7.325  -5.368
  101   HH12  ARG  13          2HH1      ARG  13  -5.982  -9.018  -5.735
  102   HH21  ARG  13          1HH2      ARG  13  -4.603  -8.547  -8.927
  103   HH22  ARG  13          2HH2      ARG  13  -5.136  -9.713  -7.763
  104    H    CYS  14           H        CYS  14  -2.061  -6.072  -3.636
  105    HA   CYS  14           HA       CYS  14  -0.974  -4.691  -1.342
  106    HB2  CYS  14           2HB      CYS  14   0.638  -6.494  -3.114
  107    HB3  CYS  14           1HB      CYS  14   0.733  -6.271  -1.369
  108    H    ILE  15           H        ILE  15   0.392  -3.006  -1.388
  109    HA   ILE  15           HA       ILE  15   0.809  -1.631  -3.871
  110    HB   ILE  15           HB       ILE  15   2.292  -0.809  -1.422
  111   HG12  ILE  15          2HG1      ILE  15  -0.386   0.267  -1.366
  112   HG13  ILE  15          1HG1      ILE  15  -0.438  -1.490  -1.276
  113   HG21  ILE  15          1HG2      ILE  15   1.856   0.327  -3.852
  114   HG22  ILE  15          2HG2      ILE  15   2.292   1.213  -2.391
  115   HG23  ILE  15          3HG2      ILE  15   0.601   1.092  -2.877
  116   HD11  ILE  15          1HD1      ILE  15   0.858   0.446   0.601
  117   HD12  ILE  15          2HD1      ILE  15   1.313  -1.259   0.570
  118   HD13  ILE  15          3HD1      ILE  15  -0.349  -0.796   0.940
  119    H    CYS  16           H        CYS  16   2.788  -3.476  -1.644
  120    HA   CYS  16           HA       CYS  16   4.883  -4.325  -1.746
  121    HB2  CYS  16           2HB      CYS  16   3.730  -4.733  -4.302
  122    HB3  CYS  16           1HB      CYS  16   5.402  -4.245  -4.571
  123    H    THR  17           H        THR  17   5.541  -2.277  -0.776
  124    HA   THR  17           HA       THR  17   6.836  -0.320  -2.464
  125    HB   THR  17           HB       THR  17   7.491   0.144   0.244
  126    HG1  THR  17           HG1      THR  17   5.990  -1.403   0.912
  127   HG21  THR  17          1HG2      THR  17   5.827   1.332  -1.839
  128   HG22  THR  17          2HG2      THR  17   6.829   2.116  -0.615
  129   HG23  THR  17          3HG2      THR  17   5.188   1.610  -0.220
  130    H    ARG  18           H        ARG  18   9.151   0.040  -2.462
  131    HA   ARG  18           HA       ARG  18  10.710  -2.313  -2.263
  132    HB2  ARG  18           2HB      ARG  18  11.014   0.292  -3.341
  133    HB3  ARG  18           1HB      ARG  18  12.366   0.027  -2.251
  134    HG2  ARG  18           2HG      ARG  18  13.130  -0.707  -4.329
  135    HG3  ARG  18           1HG      ARG  18  12.700  -2.188  -3.473
  136    HD2  ARG  18           2HD      ARG  18  10.647  -0.867  -5.182
  137    HD3  ARG  18           1HD      ARG  18  11.941  -1.772  -5.963
  138    HE   ARG  18           HE       ARG  18  11.197  -3.710  -4.608
  139   HH11  ARG  18          1HH1      ARG  18   8.981  -1.089  -5.274
  140   HH12  ARG  18          2HH1      ARG  18   7.555  -2.042  -5.004
  141   HH21  ARG  18          1HH2      ARG  18   9.310  -4.992  -4.285
  142   HH22  ARG  18          2HH2      ARG  18   7.748  -4.266  -4.465
  Start of MODEL    8
    1    H    GLY   1           H        GLY   1  10.780  -4.312  -0.557
    2    HA2  GLY   1           2HA      GLY   1  12.380  -3.976   1.436
    3    HA3  GLY   1           1HA      GLY   1  11.528  -2.443   1.585
    4    H    PHE   2           H        PHE   2   8.957  -3.672   0.698
    5    HA   PHE   2           HA       PHE   2   8.208  -5.800   2.354
    6    HB2  PHE   2           2HB      PHE   2   8.720  -3.933   4.079
    7    HB3  PHE   2           1HB      PHE   2   7.232  -3.189   3.504
    8    HD1  PHE   2           HD2      PHE   2   8.513  -6.445   4.789
    9    HD2  PHE   2           HD1      PHE   2   5.251  -3.724   4.538
   10    HE1  PHE   2           HE2      PHE   2   7.218  -7.861   6.327
   11    HE2  PHE   2           HE1      PHE   2   3.950  -5.135   6.077
   12    HZ   PHE   2           HZ       PHE   2   4.933  -7.207   6.975
   13    H    CYS   3           H        CYS   3   5.975  -6.363   1.963
   14    HA   CYS   3           HA       CYS   3   4.718  -4.661  -0.058
   15    HB2  CYS   3           2HB      CYS   3   4.455  -7.604   0.545
   16    HB3  CYS   3           1HB      CYS   3   3.317  -6.756  -0.499
   17    H    ARG   4           H        ARG   4   3.136  -3.417   0.556
   18    HA   ARG   4           HA       ARG   4   1.800  -3.889   3.089
   19    HB2  ARG   4           2HB      ARG   4   1.969  -1.612   1.157
   20    HB3  ARG   4           1HB      ARG   4   0.633  -1.663   2.298
   21    HG2  ARG   4           2HG      ARG   4   2.046  -0.516   3.604
   22    HG3  ARG   4           1HG      ARG   4   2.700  -2.115   3.964
   23    HD2  ARG   4           2HD      ARG   4   4.204  -1.688   1.894
   24    HD3  ARG   4           1HD      ARG   4   3.773   0.004   2.140
   25    HE   ARG   4           HE       ARG   4   4.587  -0.769   4.593
   26   HH11  ARG   4          1HH1      ARG   4   6.050  -1.027   1.416
   27   HH12  ARG   4          2HH1      ARG   4   7.672  -0.974   2.027
   28   HH21  ARG   4          1HH2      ARG   4   6.725  -0.695   5.394
   29   HH22  ARG   4          2HH2      ARG   4   8.056  -0.784   4.292
   30    H    CYS   5           H        CYS   5   0.591  -5.759   2.532
   31    HA   CYS   5           HA       CYS   5  -1.342  -5.610   0.394
   32    HB2  CYS   5           2HB      CYS   5  -0.562  -7.694   2.402
   33    HB3  CYS   5           1HB      CYS   5  -2.076  -7.857   1.516
   34    H    LEU   6           H        LEU   6  -2.093  -3.545   1.641
   35    HA   LEU   6           HA       LEU   6  -4.133  -4.253   3.627
   36    HB2  LEU   6           2HB      LEU   6  -3.167  -1.509   2.819
   37    HB3  LEU   6           1HB      LEU   6  -4.232  -1.888   4.158
   38    HG   LEU   6           HG       LEU   6  -1.532  -3.139   4.148
   39   HD11  LEU   6          1HD1      LEU   6  -0.471  -1.202   5.058
   40   HD12  LEU   6          2HD1      LEU   6  -1.978  -0.288   5.010
   41   HD13  LEU   6          3HD1      LEU   6  -1.181  -0.756   3.507
   42   HD21  LEU   6          1HD2      LEU   6  -2.649  -3.800   6.018
   43   HD22  LEU   6          2HD2      LEU   6  -3.618  -2.329   6.097
   44   HD23  LEU   6          3HD2      LEU   6  -1.938  -2.309   6.634
   45    H    CYS   7           H        CYS   7  -5.698  -5.087   2.293
   46    HA   CYS   7           HA       CYS   7  -6.591  -3.901  -0.102
   47    HB2  CYS   7           2HB      CYS   7  -7.537  -6.058   1.704
   48    HB3  CYS   7           1HB      CYS   7  -8.734  -5.353   0.622
   49    H    ARG   8           H        ARG   8  -8.402  -2.680  -0.580
   50    HA   ARG   8           HA       ARG   8  -9.536  -1.182   1.684
   51    HB2  ARG   8           2HB      ARG   8  -9.560  -0.249  -1.187
   52    HB3  ARG   8           1HB      ARG   8  -9.700   0.725   0.268
   53    HG2  ARG   8           2HG      ARG   8  -7.186  -0.755  -0.407
   54    HG3  ARG   8           1HG      ARG   8  -7.529   0.857  -1.036
   55    HD2  ARG   8           2HD      ARG   8  -7.285   1.852   0.998
   56    HD3  ARG   8           1HD      ARG   8  -7.859   0.436   1.879
   57    HE   ARG   8           HE       ARG   8  -5.606  -0.557   1.242
   58   HH11  ARG   8          1HH1      ARG   8  -6.128   2.865   1.778
   59   HH12  ARG   8          2HH1      ARG   8  -4.492   3.176   2.254
   60   HH21  ARG   8          1HH2      ARG   8  -3.453  -0.158   1.861
   61   HH22  ARG   8          2HH2      ARG   8  -2.960   1.444   2.300
   62    H    ARG   9           H        ARG   9 -11.773  -1.065   1.889
   63    HA   ARG   9           HA       ARG   9 -13.300  -3.156   0.858
   64    HB2  ARG   9           2HB      ARG   9 -13.735  -1.769   2.937
   65    HB3  ARG   9           1HB      ARG   9 -14.410  -0.541   1.876
   66    HG2  ARG   9           2HG      ARG   9 -15.708  -2.875   1.126
   67    HG3  ARG   9           1HG      ARG   9 -15.602  -2.971   2.885
   68    HD2  ARG   9           2HD      ARG   9 -17.649  -1.807   1.884
   69    HD3  ARG   9           1HD      ARG   9 -16.794  -0.978   3.182
   70    HE   ARG   9           HE       ARG   9 -15.990  -0.274   0.479
   71   HH11  ARG   9          1HH1      ARG   9 -17.995   0.512   3.240
   72   HH12  ARG   9          2HH1      ARG   9 -18.209   2.168   2.780
   73   HH21  ARG   9          1HH2      ARG   9 -16.261   1.907  -0.134
   74   HH22  ARG   9          2HH2      ARG   9 -17.219   2.967   0.849
   75    H    GLY  10           H        GLY  10 -12.839  -3.048  -1.396
   76    HA2  GLY  10           2HA      GLY  10 -14.696  -2.570  -3.165
   77    HA3  GLY  10           1HA      GLY  10 -14.173  -0.911  -2.907
   78    H    VAL  11           H        VAL  11 -11.351  -1.974  -2.444
   79    HA   VAL  11           HA       VAL  11 -10.647  -2.886  -5.127
   80    HB   VAL  11           HB       VAL  11  -8.648  -1.130  -4.874
   81   HG11  VAL  11          1HG1      VAL  11 -10.938  -1.389  -6.472
   82   HG12  VAL  11          2HG1      VAL  11  -9.462  -0.496  -6.832
   83   HG13  VAL  11          3HG1      VAL  11 -10.817   0.319  -6.054
   84   HG21  VAL  11          1HG2      VAL  11 -10.742   0.775  -4.107
   85   HG22  VAL  11          2HG2      VAL  11  -9.031   0.730  -3.682
   86   HG23  VAL  11          3HG2      VAL  11 -10.183  -0.272  -2.801
   87    H    CYS  12           H        CYS  12  -9.415  -4.611  -4.829
   88    HA   CYS  12           HA       CYS  12  -7.738  -4.749  -2.427
   89    HB2  CYS  12           2HB      CYS  12  -9.355  -6.684  -3.846
   90    HB3  CYS  12           1HB      CYS  12  -7.693  -7.247  -3.704
   91    H    ARG  13           H        ARG  13  -5.755  -4.040  -2.776
   92    HA   ARG  13           HA       ARG  13  -4.211  -5.180  -4.961
   93    HB2  ARG  13           2HB      ARG  13  -4.990  -2.328  -4.757
   94    HB3  ARG  13           1HB      ARG  13  -3.302  -2.638  -5.133
   95    HG2  ARG  13           2HG      ARG  13  -5.691  -3.606  -6.689
   96    HG3  ARG  13           1HG      ARG  13  -4.567  -2.331  -7.163
   97    HD2  ARG  13           2HD      ARG  13  -3.348  -4.935  -6.520
   98    HD3  ARG  13           1HD      ARG  13  -4.367  -4.907  -7.958
   99    HE   ARG  13           HE       ARG  13  -2.128  -3.024  -7.580
  100   HH11  ARG  13          1HH1      ARG  13  -3.901  -5.326  -9.525
  101   HH12  ARG  13          2HH1      ARG  13  -2.926  -5.090 -10.937
  102   HH21  ARG  13          1HH2      ARG  13  -0.829  -2.700  -9.441
  103   HH22  ARG  13          2HH2      ARG  13  -1.170  -3.589 -10.889
  104    H    CYS  14           H        CYS  14  -2.308  -5.817  -4.190
  105    HA   CYS  14           HA       CYS  14  -1.487  -5.011  -1.543
  106    HB2  CYS  14           2HB      CYS  14  -0.513  -7.039  -3.536
  107    HB3  CYS  14           1HB      CYS  14   0.491  -6.598  -2.159
  108    H    ILE  15           H        ILE  15  -0.260  -3.294  -1.180
  109    HA   ILE  15           HA       ILE  15   1.081  -1.940  -3.340
  110    HB   ILE  15           HB       ILE  15   1.359  -1.240  -0.425
  111   HG12  ILE  15          2HG1      ILE  15  -0.793  -0.010  -2.091
  112   HG13  ILE  15          1HG1      ILE  15  -1.088  -1.602  -1.399
  113   HG21  ILE  15          1HG2      ILE  15   2.754   0.160  -1.593
  114   HG22  ILE  15          2HG2      ILE  15   1.261   1.097  -1.620
  115   HG23  ILE  15          3HG2      ILE  15   1.737   0.154  -3.032
  116   HD11  ILE  15          1HD1      ILE  15  -1.820   0.516  -0.111
  117   HD12  ILE  15          2HD1      ILE  15  -0.116   0.622   0.335
  118   HD13  ILE  15          3HD1      ILE  15  -1.052  -0.810   0.764
  119    H    CYS  16           H        CYS  16   2.486  -3.847  -3.794
  120    HA   CYS  16           HA       CYS  16   4.524  -4.578  -1.945
  121    HB2  CYS  16           2HB      CYS  16   3.786  -5.256  -4.724
  122    HB3  CYS  16           1HB      CYS  16   5.504  -5.389  -4.356
  123    H    THR  17           H        THR  17   6.053  -3.229  -1.332
  124    HA   THR  17           HA       THR  17   7.270  -1.459  -3.350
  125    HB   THR  17           HB       THR  17   7.825  -0.388  -0.813
  126    HG1  THR  17           HG1      THR  17   5.143  -1.337  -1.015
  127   HG21  THR  17          1HG2      THR  17   6.314   0.341  -3.210
  128   HG22  THR  17          2HG2      THR  17   7.391   1.320  -2.212
  129   HG23  THR  17          3HG2      THR  17   5.706   1.102  -1.740
  130    H    ARG  18           H        ARG  18   9.544  -1.400  -3.385
  131    HA   ARG  18           HA       ARG  18  10.938  -3.663  -2.618
  132    HB2  ARG  18           2HB      ARG  18  13.013  -2.198  -2.924
  133    HB3  ARG  18           1HB      ARG  18  11.931  -2.358  -4.298
  134    HG2  ARG  18           2HG      ARG  18  11.708  -0.162  -4.414
  135    HG3  ARG  18           1HG      ARG  18  11.124  -0.103  -2.750
  136    HD2  ARG  18           2HD      ARG  18  13.574  -0.245  -2.063
  137    HD3  ARG  18           1HD      ARG  18  13.952   0.108  -3.748
  138    HE   ARG  18           HE       ARG  18  13.185   2.275  -3.458
  139   HH11  ARG  18          1HH1      ARG  18  12.579   0.371  -0.577
  140   HH12  ARG  18          2HH1      ARG  18  12.279   1.755   0.426
  141   HH21  ARG  18          1HH2      ARG  18  12.774   4.103  -2.138
  142   HH22  ARG  18          2HH2      ARG  18  12.383   3.881  -0.466
  Start of MODEL    9
    1    H    GLY   1           H        GLY   1   9.992  -2.229  -0.829
    2    HA2  GLY   1           2HA      GLY   1  11.909  -1.293   0.672
    3    HA3  GLY   1           1HA      GLY   1  11.241   0.243   0.122
    4    H    PHE   2           H        PHE   2   8.529  -1.158   0.024
    5    HA   PHE   2           HA       PHE   2   7.961  -1.556   2.852
    6    HB2  PHE   2           2HB      PHE   2   7.340   0.898   1.411
    7    HB3  PHE   2           1HB      PHE   2   5.897   0.142   2.074
    8    HD1  PHE   2           HD2      PHE   2   6.169  -0.670   4.587
    9    HD2  PHE   2           HD1      PHE   2   8.483   2.380   2.727
   10    HE1  PHE   2           HE2      PHE   2   6.689   0.277   6.797
   11    HE2  PHE   2           HE1      PHE   2   9.008   3.334   4.934
   12    HZ   PHE   2           HZ       PHE   2   8.109   2.282   6.973
   13    H    CYS   3           H        CYS   3   6.565  -3.347   2.940
   14    HA   CYS   3           HA       CYS   3   4.556  -3.588   0.831
   15    HB2  CYS   3           2HB      CYS   3   6.762  -5.498   1.403
   16    HB3  CYS   3           1HB      CYS   3   5.177  -6.185   1.068
   17    H    ARG   4           H        ARG   4   2.669  -4.600   1.462
   18    HA   ARG   4           HA       ARG   4   2.446  -5.934   3.990
   19    HB2  ARG   4           2HB      ARG   4   2.197  -3.152   4.049
   20    HB3  ARG   4           1HB      ARG   4   0.544  -3.751   4.079
   21    HG2  ARG   4           2HG      ARG   4   2.345  -5.168   5.890
   22    HG3  ARG   4           1HG      ARG   4   2.156  -3.453   6.256
   23    HD2  ARG   4           2HD      ARG   4   0.484  -4.619   7.480
   24    HD3  ARG   4           1HD      ARG   4  -0.327  -3.802   6.146
   25    HE   ARG   4           HE       ARG   4  -0.137  -6.084   4.999
   26   HH11  ARG   4          1HH1      ARG   4  -0.505  -5.674   8.454
   27   HH12  ARG   4          2HH1      ARG   4  -1.314  -7.188   8.681
   28   HH21  ARG   4          1HH2      ARG   4  -1.198  -8.083   5.282
   29   HH22  ARG   4          2HH2      ARG   4  -1.707  -8.571   6.866
   30    H    CYS   5           H        CYS   5   1.079  -4.720   1.046
   31    HA   CYS   5           HA       CYS   5  -0.697  -5.335  -0.221
   32    HB2  CYS   5           2HB      CYS   5  -0.038  -7.810   1.297
   33    HB3  CYS   5           1HB      CYS   5  -1.568  -7.775   0.425
   34    H    LEU   6           H        LEU   6  -1.215  -3.798   2.106
   35    HA   LEU   6           HA       LEU   6  -3.596  -4.825   3.349
   36    HB2  LEU   6           2HB      LEU   6  -1.741  -3.084   4.191
   37    HB3  LEU   6           1HB      LEU   6  -2.905  -1.946   3.540
   38    HG   LEU   6           HG       LEU   6  -4.583  -2.623   5.075
   39   HD11  LEU   6          1HD1      LEU   6  -4.703  -4.601   6.171
   40   HD12  LEU   6          2HD1      LEU   6  -2.959  -4.699   6.415
   41   HD13  LEU   6          3HD1      LEU   6  -3.656  -5.122   4.851
   42   HD21  LEU   6          1HD2      LEU   6  -3.322  -2.478   7.302
   43   HD22  LEU   6          2HD2      LEU   6  -3.147  -1.138   6.167
   44   HD23  LEU   6          3HD2      LEU   6  -1.866  -2.341   6.315
   45    H    CYS   7           H        CYS   7  -5.498  -4.797   2.422
   46    HA   CYS   7           HA       CYS   7  -6.004  -3.083   0.146
   47    HB2  CYS   7           2HB      CYS   7  -7.276  -5.493   1.350
   48    HB3  CYS   7           1HB      CYS   7  -8.318  -4.405   0.432
   49    H    ARG   8           H        ARG   8  -7.735  -1.613   0.002
   50    HA   ARG   8           HA       ARG   8  -8.963  -0.826   2.549
   51    HB2  ARG   8           2HB      ARG   8  -6.924   0.599   1.592
   52    HB3  ARG   8           1HB      ARG   8  -8.195   1.302   0.602
   53    HG2  ARG   8           2HG      ARG   8  -8.915   2.549   2.289
   54    HG3  ARG   8           1HG      ARG   8  -8.996   1.156   3.370
   55    HD2  ARG   8           2HD      ARG   8  -6.340   2.341   2.709
   56    HD3  ARG   8           1HD      ARG   8  -7.377   3.154   3.879
   57    HE   ARG   8           HE       ARG   8  -7.335   0.569   4.727
   58   HH11  ARG   8          1HH1      ARG   8  -4.853   2.910   3.972
   59   HH12  ARG   8          2HH1      ARG   8  -3.728   2.295   5.134
   60   HH21  ARG   8          1HH2      ARG   8  -5.853  -0.263   6.267
   61   HH22  ARG   8          2HH2      ARG   8  -4.300   0.483   6.446
   62    H    ARG   9           H        ARG   9 -10.959   0.422   2.275
   63    HA   ARG   9           HA       ARG   9 -12.666  -0.769   0.397
   64    HB2  ARG   9           2HB      ARG   9 -14.303   1.026   1.150
   65    HB3  ARG   9           1HB      ARG   9 -13.663  -0.031   2.398
   66    HG2  ARG   9           2HG      ARG   9 -12.896   1.704   3.542
   67    HG3  ARG   9           1HG      ARG   9 -11.998   2.294   2.139
   68    HD2  ARG   9           2HD      ARG   9 -14.315   3.136   1.330
   69    HD3  ARG   9           1HD      ARG   9 -14.788   2.945   3.016
   70    HE   ARG   9           HE       ARG   9 -13.440   4.733   3.591
   71   HH11  ARG   9          1HH1      ARG   9 -12.974   3.919   0.212
   72   HH12  ARG   9          2HH1      ARG   9 -12.168   5.410  -0.162
   73   HH21  ARG   9          1HH2      ARG   9 -12.370   6.694   3.095
   74   HH22  ARG   9          2HH2      ARG   9 -11.818   6.984   1.479
   75    H    GLY  10           H        GLY  10 -11.501  -0.386  -1.563
   76    HA2  GLY  10           2HA      GLY  10 -12.511   1.057  -3.490
   77    HA3  GLY  10           1HA      GLY  10 -11.661   2.343  -2.642
   78    H    VAL  11           H        VAL  11  -9.581   0.207  -1.903
   79    HA   VAL  11           HA       VAL  11  -8.295  -0.100  -4.520
   80    HB   VAL  11           HB       VAL  11  -6.108   0.401  -3.003
   81   HG11  VAL  11          1HG1      VAL  11  -5.784   1.779  -4.705
   82   HG12  VAL  11          2HG1      VAL  11  -6.973   2.908  -4.052
   83   HG13  VAL  11          3HG1      VAL  11  -7.486   1.619  -5.141
   84   HG21  VAL  11          1HG2      VAL  11  -7.684   2.742  -2.172
   85   HG22  VAL  11          2HG2      VAL  11  -6.377   1.897  -1.343
   86   HG23  VAL  11          3HG2      VAL  11  -8.017   1.251  -1.288
   87    H    CYS  12           H        CYS  12  -8.298  -2.260  -4.653
   88    HA   CYS  12           HA       CYS  12  -6.897  -3.736  -2.545
   89    HB2  CYS  12           2HB      CYS  12  -9.491  -3.927  -2.455
   90    HB3  CYS  12           1HB      CYS  12  -9.305  -4.946  -3.879
   91    H    ARG  13           H        ARG  13  -5.081  -4.154  -3.676
   92    HA   ARG  13           HA       ARG  13  -5.229  -6.088  -5.790
   93    HB2  ARG  13           2HB      ARG  13  -5.177  -3.363  -6.531
   94    HB3  ARG  13           1HB      ARG  13  -3.562  -3.988  -6.837
   95    HG2  ARG  13           2HG      ARG  13  -5.555  -5.837  -7.777
   96    HG3  ARG  13           1HG      ARG  13  -5.812  -4.233  -8.463
   97    HD2  ARG  13           2HD      ARG  13  -4.333  -5.645  -9.846
   98    HD3  ARG  13           1HD      ARG  13  -3.548  -4.170  -9.287
   99    HE   ARG  13           HE       ARG  13  -2.490  -5.603  -7.535
  100   HH11  ARG  13          1HH1      ARG  13  -3.625  -7.030 -10.529
  101   HH12  ARG  13          2HH1      ARG  13  -2.516  -8.360 -10.468
  102   HH21  ARG  13          1HH2      ARG  13  -1.032  -7.358  -7.441
  103   HH22  ARG  13          2HH2      ARG  13  -1.034  -8.549  -8.700
  104    H    CYS  14           H        CYS  14  -4.048  -5.684  -3.103
  105    HA   CYS  14           HA       CYS  14  -2.159  -6.182  -1.947
  106    HB2  CYS  14           2HB      CYS  14  -2.211  -7.900  -4.169
  107    HB3  CYS  14           1HB      CYS  14  -0.553  -7.322  -4.064
  108    H    ILE  15           H        ILE  15  -1.676  -3.933  -1.763
  109    HA   ILE  15           HA       ILE  15  -0.013  -2.584  -3.615
  110    HB   ILE  15           HB       ILE  15  -0.368  -1.874  -0.706
  111   HG12  ILE  15          2HG1      ILE  15  -2.571  -2.196  -1.727
  112   HG13  ILE  15          1HG1      ILE  15  -2.274  -0.488  -1.423
  113   HG21  ILE  15          1HG2      ILE  15   1.398  -0.662  -1.892
  114   HG22  ILE  15          2HG2      ILE  15   0.060   0.402  -1.459
  115   HG23  ILE  15          3HG2      ILE  15   0.232  -0.167  -3.119
  116   HD11  ILE  15          1HD1      ILE  15  -3.349  -0.819  -3.568
  117   HD12  ILE  15          2HD1      ILE  15  -2.035  -1.878  -4.083
  118   HD13  ILE  15          3HD1      ILE  15  -1.723  -0.169  -3.781
  119    H    CYS  16           H        CYS  16   2.188  -2.862  -3.893
  120    HA   CYS  16           HA       CYS  16   3.836  -3.482  -1.573
  121    HB2  CYS  16           2HB      CYS  16   3.140  -5.421  -3.529
  122    HB3  CYS  16           1HB      CYS  16   4.825  -4.988  -3.805
  123    H    THR  17           H        THR  17   5.496  -2.140  -1.541
  124    HA   THR  17           HA       THR  17   6.419  -0.950  -4.077
  125    HB   THR  17           HB       THR  17   7.230   0.748  -1.999
  126    HG1  THR  17           HG1      THR  17   5.656  -0.444  -0.688
  127   HG21  THR  17          1HG2      THR  17   4.892   1.872  -2.976
  128   HG22  THR  17          2HG2      THR  17   5.427   0.818  -4.284
  129   HG23  THR  17          3HG2      THR  17   6.504   2.069  -3.660
  130    H    ARG  18           H        ARG  18   8.706  -0.798  -4.360
  131    HA   ARG  18           HA       ARG  18  10.221  -2.770  -3.003
  132    HB2  ARG  18           2HB      ARG  18  10.749  -0.736  -5.101
  133    HB3  ARG  18           1HB      ARG  18  12.142  -1.337  -4.210
  134    HG2  ARG  18           2HG      ARG  18  10.149  -3.023  -5.710
  135    HG3  ARG  18           1HG      ARG  18  11.777  -2.611  -6.252
  136    HD2  ARG  18           2HD      ARG  18  12.454  -4.487  -5.248
  137    HD3  ARG  18           1HD      ARG  18  12.166  -3.657  -3.721
  138    HE   ARG  18           HE       ARG  18   9.895  -5.039  -4.914
  139   HH11  ARG  18          1HH1      ARG  18  12.487  -5.095  -2.564
  140   HH12  ARG  18          2HH1      ARG  18  11.749  -6.316  -1.581
  141   HH21  ARG  18          1HH2      ARG  18   8.904  -6.653  -3.610
  142   HH22  ARG  18          2HH2      ARG  18   9.707  -7.203  -2.178
  Start of MODEL   10
    1    H    GLY   1           H        GLY   1  11.482  -3.174   0.156
    2    HA2  GLY   1           2HA      GLY   1  13.089  -2.973   2.212
    3    HA3  GLY   1           1HA      GLY   1  12.195  -1.474   2.426
    4    H    PHE   2           H        PHE   2   9.704  -2.751   1.339
    5    HA   PHE   2           HA       PHE   2   9.034  -4.928   3.038
    6    HB2  PHE   2           2HB      PHE   2   9.082  -2.689   4.491
    7    HB3  PHE   2           1HB      PHE   2   7.470  -2.507   3.808
    8    HD1  PHE   2           HD2      PHE   2   9.617  -4.840   5.730
    9    HD2  PHE   2           HD1      PHE   2   5.656  -3.657   4.718
   10    HE1  PHE   2           HE2      PHE   2   8.728  -6.363   7.446
   11    HE2  PHE   2           HE1      PHE   2   4.760  -5.177   6.433
   12    HZ   PHE   2           HZ       PHE   2   6.297  -6.534   7.798
   13    H    CYS   3           H        CYS   3   6.853  -5.704   2.635
   14    HA   CYS   3           HA       CYS   3   5.391  -4.281   0.526
   15    HB2  CYS   3           2HB      CYS   3   6.199  -7.198   0.554
   16    HB3  CYS   3           1HB      CYS   3   4.894  -6.584  -0.462
   17    H    ARG   4           H        ARG   4   3.129  -4.433   0.687
   18    HA   ARG   4           HA       ARG   4   1.933  -6.267   2.559
   19    HB2  ARG   4           2HB      ARG   4   1.061  -4.664   4.113
   20    HB3  ARG   4           1HB      ARG   4   2.800  -4.428   4.023
   21    HG2  ARG   4           2HG      ARG   4   1.759  -2.712   2.099
   22    HG3  ARG   4           1HG      ARG   4   0.658  -2.579   3.472
   23    HD2  ARG   4           2HD      ARG   4   2.352  -1.863   4.911
   24    HD3  ARG   4           1HD      ARG   4   3.628  -2.464   3.854
   25    HE   ARG   4           HE       ARG   4   2.089   0.005   3.501
   26   HH11  ARG   4          1HH1      ARG   4   4.684  -2.102   2.487
   27   HH12  ARG   4          2HH1      ARG   4   5.421  -0.923   1.445
   28   HH21  ARG   4          1HH2      ARG   4   3.060   1.578   2.132
   29   HH22  ARG   4          2HH2      ARG   4   4.495   1.170   1.251
   30    H    CYS   5           H        CYS   5  -0.436  -6.026   2.639
   31    HA   CYS   5           HA       CYS   5  -1.429  -4.992   0.079
   32    HB2  CYS   5           2HB      CYS   5  -1.656  -7.491   0.799
   33    HB3  CYS   5           1HB      CYS   5  -2.958  -6.899   1.825
   34    H    LEU   6           H        LEU   6  -2.996  -3.474   0.021
   35    HA   LEU   6           HA       LEU   6  -4.012  -2.517   2.616
   36    HB2  LEU   6           2HB      LEU   6  -2.920  -1.139   0.263
   37    HB3  LEU   6           1HB      LEU   6  -4.419  -0.451   0.860
   38    HG   LEU   6           HG       LEU   6  -2.887  -0.799   3.152
   39   HD11  LEU   6          1HD1      LEU   6  -1.014   0.794   1.668
   40   HD12  LEU   6          2HD1      LEU   6  -1.113  -0.832   0.992
   41   HD13  LEU   6          3HD1      LEU   6  -0.725  -0.607   2.698
   42   HD21  LEU   6          1HD2      LEU   6  -4.177   1.260   1.708
   43   HD22  LEU   6          2HD2      LEU   6  -2.574   1.848   2.150
   44   HD23  LEU   6          3HD2      LEU   6  -3.673   1.260   3.398
   45    H    CYS   7           H        CYS   7  -5.401  -4.525   1.782
   46    HA   CYS   7           HA       CYS   7  -7.336  -4.280  -0.166
   47    HB2  CYS   7           2HB      CYS   7  -7.174  -5.788   2.407
   48    HB3  CYS   7           1HB      CYS   7  -8.705  -5.758   1.539
   49    H    ARG   8           H        ARG   8  -9.100  -3.126  -0.434
   50    HA   ARG   8           HA       ARG   8 -10.061  -1.479   1.796
   51    HB2  ARG   8           2HB      ARG   8  -9.404  -0.874  -0.901
   52    HB3  ARG   8           1HB      ARG   8 -11.144  -0.685  -0.755
   53    HG2  ARG   8           2HG      ARG   8 -10.502   1.405  -0.164
   54    HG3  ARG   8           1HG      ARG   8 -10.425   0.646   1.427
   55    HD2  ARG   8           2HD      ARG   8  -7.949   0.091   0.451
   56    HD3  ARG   8           1HD      ARG   8  -8.269   1.657  -0.294
   57    HE   ARG   8           HE       ARG   8  -8.517   2.589   1.901
   58   HH11  ARG   8          1HH1      ARG   8  -7.180  -0.645   1.786
   59   HH12  ARG   8          2HH1      ARG   8  -6.517  -0.564   3.384
   60   HH21  ARG   8          1HH2      ARG   8  -7.625   2.705   4.008
   61   HH22  ARG   8          2HH2      ARG   8  -6.761   1.347   4.647
   62    H    ARG   9           H        ARG   9 -12.328  -1.346   2.174
   63    HA   ARG   9           HA       ARG   9 -13.682  -3.783   2.012
   64    HB2  ARG   9           2HB      ARG   9 -14.036  -1.842   3.638
   65    HB3  ARG   9           1HB      ARG   9 -15.038  -1.120   2.389
   66    HG2  ARG   9           2HG      ARG   9 -16.004  -3.706   2.612
   67    HG3  ARG   9           1HG      ARG   9 -15.657  -3.225   4.273
   68    HD2  ARG   9           2HD      ARG   9 -17.971  -2.685   3.509
   69    HD3  ARG   9           1HD      ARG   9 -17.051  -1.292   4.079
   70    HE   ARG   9           HE       ARG   9 -16.762  -1.581   1.274
   71   HH11  ARG   9          1HH1      ARG   9 -19.079  -0.572   3.700
   72   HH12  ARG   9          2HH1      ARG   9 -19.915   0.513   2.640
   73   HH21  ARG   9          1HH2      ARG   9 -17.852  -0.155  -0.129
   74   HH22  ARG   9          2HH2      ARG   9 -19.212   0.752   0.447
   75    H    GLY  10           H        GLY  10 -13.467  -4.269  -0.260
   76    HA2  GLY  10           2HA      GLY  10 -15.485  -4.602  -1.813
   77    HA3  GLY  10           1HA      GLY  10 -15.389  -2.857  -1.998
   78    H    VAL  11           H        VAL  11 -12.347  -3.127  -1.786
   79    HA   VAL  11           HA       VAL  11 -11.739  -4.465  -4.309
   80    HB   VAL  11           HB       VAL  11 -10.251  -2.286  -4.757
   81   HG11  VAL  11          1HG1      VAL  11 -12.842  -1.711  -5.833
   82   HG12  VAL  11          2HG1      VAL  11 -12.544  -3.449  -5.872
   83   HG13  VAL  11          3HG1      VAL  11 -11.408  -2.341  -6.642
   84   HG21  VAL  11          1HG2      VAL  11 -11.734  -1.342  -2.679
   85   HG22  VAL  11          2HG2      VAL  11 -12.670  -0.786  -4.067
   86   HG23  VAL  11          3HG2      VAL  11 -10.972  -0.340  -3.914
   87    H    CYS  12           H        CYS  12 -10.147  -5.803  -3.757
   88    HA   CYS  12           HA       CYS  12  -8.286  -5.086  -1.651
   89    HB2  CYS  12           2HB      CYS  12  -9.115  -7.565  -2.999
   90    HB3  CYS  12           1HB      CYS  12  -7.394  -7.486  -2.632
   91    H    ARG  13           H        ARG  13  -6.143  -4.616  -1.923
   92    HA   ARG  13           HA       ARG  13  -4.836  -4.948  -4.463
   93    HB2  ARG  13           2HB      ARG  13  -6.294  -2.680  -4.309
   94    HB3  ARG  13           1HB      ARG  13  -4.794  -2.117  -3.582
   95    HG2  ARG  13           2HG      ARG  13  -4.874  -1.674  -5.983
   96    HG3  ARG  13           1HG      ARG  13  -3.558  -2.772  -5.563
   97    HD2  ARG  13           2HD      ARG  13  -4.343  -4.243  -7.027
   98    HD3  ARG  13           1HD      ARG  13  -5.830  -4.363  -6.086
   99    HE   ARG  13           HE       ARG  13  -5.400  -2.498  -8.330
  100   HH11  ARG  13          1HH1      ARG  13  -7.510  -4.420  -6.296
  101   HH12  ARG  13          2HH1      ARG  13  -8.932  -4.072  -7.230
  102   HH21  ARG  13          1HH2      ARG  13  -7.278  -2.035  -9.560
  103   HH22  ARG  13          2HH2      ARG  13  -8.799  -2.713  -9.087
  104    H    CYS  14           H        CYS  14  -2.809  -5.467  -4.022
  105    HA   CYS  14           HA       CYS  14  -1.640  -4.559  -1.482
  106    HB2  CYS  14           2HB      CYS  14  -0.506  -6.817  -3.097
  107    HB3  CYS  14           1HB      CYS  14  -0.417  -6.539  -1.361
  108    H    ILE  15           H        ILE  15   0.545  -3.821  -1.479
  109    HA   ILE  15           HA       ILE  15   1.612  -3.149  -4.133
  110    HB   ILE  15           HB       ILE  15   2.458  -0.983  -2.943
  111   HG12  ILE  15          2HG1      ILE  15  -0.104  -0.906  -1.506
  112   HG13  ILE  15          1HG1      ILE  15   1.060  -2.042  -0.830
  113   HG21  ILE  15          1HG2      ILE  15   0.044   0.008  -3.481
  114   HG22  ILE  15          2HG2      ILE  15  -0.141  -1.580  -4.226
  115   HG23  ILE  15          3HG2      ILE  15   1.162  -0.511  -4.743
  116   HD11  ILE  15          1HD1      ILE  15   0.918   0.685  -0.365
  117   HD12  ILE  15          2HD1      ILE  15   2.301   0.487  -1.441
  118   HD13  ILE  15          3HD1      ILE  15   2.234  -0.401   0.081
  119    H    CYS  16           H        CYS  16   3.949  -2.551  -4.059
  120    HA   CYS  16           HA       CYS  16   5.337  -3.824  -1.809
  121    HB2  CYS  16           2HB      CYS  16   5.382  -4.554  -4.630
  122    HB3  CYS  16           1HB      CYS  16   6.993  -4.221  -4.004
  123    H    THR  17           H        THR  17   7.244  -2.896  -1.179
  124    HA   THR  17           HA       THR  17   8.157  -0.498  -2.604
  125    HB   THR  17           HB       THR  17   8.485   0.139   0.098
  126    HG1  THR  17           HG1      THR  17   6.889  -1.659   0.385
  127   HG21  THR  17          1HG2      THR  17   6.160   1.442  -0.641
  128   HG22  THR  17          2HG2      THR  17   6.940   1.093  -2.182
  129   HG23  THR  17          3HG2      THR  17   7.803   2.006  -0.943
  130    H    ARG  18           H        ARG  18  10.421  -0.156  -2.405
  131    HA   ARG  18           HA       ARG  18  12.000  -2.430  -1.928
  132    HB2  ARG  18           2HB      ARG  18  12.469   0.402  -2.602
  133    HB3  ARG  18           1HB      ARG  18  13.799  -0.388  -1.767
  134    HG2  ARG  18           2HG      ARG  18  14.116  -1.937  -3.481
  135    HG3  ARG  18           1HG      ARG  18  12.519  -1.635  -4.171
  136    HD2  ARG  18           2HD      ARG  18  14.169   0.757  -4.068
  137    HD3  ARG  18           1HD      ARG  18  14.905  -0.532  -5.018
  138    HE   ARG  18           HE       ARG  18  12.666  -0.590  -6.212
  139   HH11  ARG  18          1HH1      ARG  18  13.997   2.311  -4.782
  140   HH12  ARG  18          2HH1      ARG  18  13.171   3.384  -5.864
  141   HH21  ARG  18          1HH2      ARG  18  11.567   0.819  -7.649
  142   HH22  ARG  18          2HH2      ARG  18  11.783   2.532  -7.500
  Start of MODEL   11
    1    H    GLY   1           H        GLY   1   9.172  -0.685  -1.096
    2    HA2  GLY   1           2HA      GLY   1  10.879   0.518   0.520
    3    HA3  GLY   1           1HA      GLY   1   9.862   1.888   0.075
    4    H    PHE   2           H        PHE   2   7.515   0.005  -0.216
    5    HA   PHE   2           HA       PHE   2   7.077  -0.914   2.503
    6    HB2  PHE   2           2HB      PHE   2   6.427   1.348   2.836
    7    HB3  PHE   2           1HB      PHE   2   5.572   1.408   1.299
    8    HD1  PHE   2           HD2      PHE   2   5.504  -0.393   4.563
    9    HD2  PHE   2           HD1      PHE   2   3.281   1.179   1.292
   10    HE1  PHE   2           HE2      PHE   2   3.408  -0.969   5.715
   11    HE2  PHE   2           HE1      PHE   2   1.182   0.607   2.438
   12    HZ   PHE   2           HZ       PHE   2   1.243  -0.469   4.653
   13    H    CYS   3           H        CYS   3   6.046  -2.914   2.238
   14    HA   CYS   3           HA       CYS   3   4.050  -3.102   0.102
   15    HB2  CYS   3           2HB      CYS   3   6.269  -5.065   0.703
   16    HB3  CYS   3           1HB      CYS   3   4.842  -5.503  -0.226
   17    H    ARG   4           H        ARG   4   2.190  -4.086   0.677
   18    HA   ARG   4           HA       ARG   4   2.038  -5.896   2.909
   19    HB2  ARG   4           2HB      ARG   4   1.942  -3.278   3.635
   20    HB3  ARG   4           1HB      ARG   4   0.240  -3.582   3.319
   21    HG2  ARG   4           2HG      ARG   4   0.625  -3.961   5.629
   22    HG3  ARG   4           1HG      ARG   4   0.381  -5.535   4.869
   23    HD2  ARG   4           2HD      ARG   4   2.283  -6.160   5.852
   24    HD3  ARG   4           1HD      ARG   4   3.106  -5.138   4.676
   25    HE   ARG   4           HE       ARG   4   2.291  -4.191   7.349
   26   HH11  ARG   4          1HH1      ARG   4   4.582  -4.335   4.704
   27   HH12  ARG   4          2HH1      ARG   4   5.747  -3.317   5.494
   28   HH21  ARG   4          1HH2      ARG   4   3.819  -2.836   8.386
   29   HH22  ARG   4          2HH2      ARG   4   5.308  -2.457   7.587
   30    H    CYS   5           H        CYS   5   0.226  -7.163   2.784
   31    HA   CYS   5           HA       CYS   5  -1.362  -6.904   0.389
   32    HB2  CYS   5           2HB      CYS   5  -0.894  -8.997   2.429
   33    HB3  CYS   5           1HB      CYS   5  -2.493  -8.994   1.691
   34    H    LEU   6           H        LEU   6  -2.043  -4.738   1.425
   35    HA   LEU   6           HA       LEU   6  -4.616  -5.184   2.776
   36    HB2  LEU   6           2HB      LEU   6  -2.457  -3.944   3.938
   37    HB3  LEU   6           1HB      LEU   6  -3.344  -2.587   3.268
   38    HG   LEU   6           HG       LEU   6  -5.246  -4.206   4.581
   39   HD11  LEU   6          1HD1      LEU   6  -3.838  -5.333   5.986
   40   HD12  LEU   6          2HD1      LEU   6  -4.115  -3.869   6.929
   41   HD13  LEU   6          3HD1      LEU   6  -2.632  -4.047   5.991
   42   HD21  LEU   6          1HD2      LEU   6  -5.537  -2.244   5.970
   43   HD22  LEU   6          2HD2      LEU   6  -5.289  -1.764   4.291
   44   HD23  LEU   6          3HD2      LEU   6  -3.971  -1.617   5.455
   45    H    CYS   7           H        CYS   7  -6.078  -3.243   2.475
   46    HA   CYS   7           HA       CYS   7  -6.033  -2.540  -0.337
   47    HB2  CYS   7           2HB      CYS   7  -8.102  -2.642   1.785
   48    HB3  CYS   7           1HB      CYS   7  -8.322  -1.432   0.524
   49    H    ARG   8           H        ARG   8  -5.325  -0.702  -1.068
   50    HA   ARG   8           HA       ARG   8  -5.143   1.596   0.761
   51    HB2  ARG   8           2HB      ARG   8  -3.042   0.463  -0.430
   52    HB3  ARG   8           1HB      ARG   8  -3.554   1.479  -1.769
   53    HG2  ARG   8           2HG      ARG   8  -2.461   3.171  -0.857
   54    HG3  ARG   8           1HG      ARG   8  -3.555   3.109   0.527
   55    HD2  ARG   8           2HD      ARG   8  -1.587   2.799   1.623
   56    HD3  ARG   8           1HD      ARG   8  -1.944   1.119   1.226
   57    HE   ARG   8           HE       ARG   8  -0.398   1.341  -0.651
   58   HH11  ARG   8          1HH1      ARG   8  -0.219   3.749   1.879
   59   HH12  ARG   8          2HH1      ARG   8   1.421   4.183   1.534
   60   HH21  ARG   8          1HH2      ARG   8   1.783   1.902  -1.112
   61   HH22  ARG   8          2HH2      ARG   8   2.560   3.130  -0.172
   62    H    ARG   9           H        ARG   9  -5.595   3.706  -0.219
   63    HA   ARG   9           HA       ARG   9  -7.993   3.670  -1.675
   64    HB2  ARG   9           2HB      ARG   9  -7.508   6.190  -1.928
   65    HB3  ARG   9           1HB      ARG   9  -7.743   5.537  -0.313
   66    HG2  ARG   9           2HG      ARG   9  -5.688   6.113   0.332
   67    HG3  ARG   9           1HG      ARG   9  -4.955   5.506  -1.155
   68    HD2  ARG   9           2HD      ARG   9  -6.274   8.183  -0.722
   69    HD3  ARG   9           1HD      ARG   9  -4.566   7.871  -1.028
   70    HE   ARG   9           HE       ARG   9  -5.741   6.826  -3.214
   71   HH11  ARG   9          1HH1      ARG   9  -6.077   9.935  -1.633
   72   HH12  ARG   9          2HH1      ARG   9  -6.455  10.784  -3.093
   73   HH21  ARG   9          1HH2      ARG   9  -6.239   7.938  -5.143
   74   HH22  ARG   9          2HH2      ARG   9  -6.547   9.643  -5.101
   75    H    GLY  10           H        GLY  10  -7.382   2.335  -3.473
   76    HA2  GLY  10           2HA      GLY  10  -7.484   3.160  -5.910
   77    HA3  GLY  10           1HA      GLY  10  -5.854   3.729  -5.575
   78    H    VAL  11           H        VAL  11  -5.672   1.190  -3.774
   79    HA   VAL  11           HA       VAL  11  -5.422  -0.825  -5.886
   80    HB   VAL  11           HB       VAL  11  -3.191  -1.415  -4.461
   81   HG11  VAL  11          1HG1      VAL  11  -2.018  -0.068  -6.400
   82   HG12  VAL  11          2HG1      VAL  11  -3.672   0.046  -7.003
   83   HG13  VAL  11          3HG1      VAL  11  -2.942  -1.535  -6.724
   84   HG21  VAL  11          1HG2      VAL  11  -2.663   1.455  -4.857
   85   HG22  VAL  11          2HG2      VAL  11  -2.068   0.348  -3.621
   86   HG23  VAL  11          3HG2      VAL  11  -3.681   1.047  -3.476
   87    H    CYS  12           H        CYS  12  -6.758  -2.349  -5.173
   88    HA   CYS  12           HA       CYS  12  -6.648  -3.104  -2.331
   89    HB2  CYS  12           2HB      CYS  12  -8.851  -2.782  -4.220
   90    HB3  CYS  12           1HB      CYS  12  -8.882  -4.348  -3.419
   91    H    ARG  13           H        ARG  13  -4.585  -4.091  -3.670
   92    HA   ARG  13           HA       ARG  13  -5.090  -6.921  -3.628
   93    HB2  ARG  13           2HB      ARG  13  -5.475  -5.783  -6.062
   94    HB3  ARG  13           1HB      ARG  13  -3.757  -6.154  -6.149
   95    HG2  ARG  13           2HG      ARG  13  -5.320  -8.367  -5.102
   96    HG3  ARG  13           1HG      ARG  13  -5.831  -7.872  -6.718
   97    HD2  ARG  13           2HD      ARG  13  -4.169  -9.242  -7.380
   98    HD3  ARG  13           1HD      ARG  13  -3.154  -7.846  -7.031
   99    HE   ARG  13           HE       ARG  13  -3.624  -9.905  -4.983
  100   HH11  ARG  13          1HH1      ARG  13  -1.451  -8.069  -7.012
  101   HH12  ARG  13          2HH1      ARG  13  -0.018  -8.634  -6.225
  102   HH21  ARG  13          1HH2      ARG  13  -1.731 -10.659  -3.924
  103   HH22  ARG  13          2HH2      ARG  13  -0.178 -10.120  -4.466
  104    H    CYS  14           H        CYS  14  -3.601  -5.971  -1.838
  105    HA   CYS  14           HA       CYS  14  -1.565  -5.924  -0.841
  106    HB2  CYS  14           2HB      CYS  14  -0.730  -7.685  -3.151
  107    HB3  CYS  14           1HB      CYS  14   0.084  -7.543  -1.596
  108    H    ILE  15           H        ILE  15  -1.294  -3.678  -1.269
  109    HA   ILE  15           HA       ILE  15  -0.022  -2.692  -3.580
  110    HB   ILE  15           HB       ILE  15  -1.181  -1.066  -2.380
  111   HG12  ILE  15          2HG1      ILE  15   0.725   0.426  -1.349
  112   HG13  ILE  15          1HG1      ILE  15   1.783  -0.804  -2.032
  113   HG21  ILE  15          1HG2      ILE  15   0.067  -2.297   0.020
  114   HG22  ILE  15          2HG2      ILE  15  -1.611  -1.841  -0.277
  115   HG23  ILE  15          3HG2      ILE  15  -0.412  -0.601   0.095
  116   HD11  ILE  15          1HD1      ILE  15   0.535  -0.386  -4.224
  117   HD12  ILE  15          2HD1      ILE  15   1.673   0.842  -3.667
  118   HD13  ILE  15          3HD1      ILE  15  -0.061   1.081  -3.445
  119    H    CYS  16           H        CYS  16   2.120  -2.950  -4.175
  120    HA   CYS  16           HA       CYS  16   4.066  -3.348  -2.016
  121    HB2  CYS  16           2HB      CYS  16   3.463  -5.363  -3.599
  122    HB3  CYS  16           1HB      CYS  16   4.513  -4.523  -4.736
  123    H    THR  17           H        THR  17   4.552  -1.156  -1.996
  124    HA   THR  17           HA       THR  17   5.604   0.074  -4.422
  125    HB   THR  17           HB       THR  17   5.991   1.808  -2.232
  126    HG1  THR  17           HG1      THR  17   4.613   0.349  -1.023
  127   HG21  THR  17          1HG2      THR  17   5.143   3.039  -3.911
  128   HG22  THR  17          2HG2      THR  17   3.558   2.548  -3.317
  129   HG23  THR  17          3HG2      THR  17   4.325   1.647  -4.623
  130    H    ARG  18           H        ARG  18   7.849   0.662  -4.602
  131    HA   ARG  18           HA       ARG  18   9.633  -1.074  -3.258
  132    HB2  ARG  18           2HB      ARG  18   9.749   0.674  -5.480
  133    HB3  ARG  18           1HB      ARG  18  11.035   1.161  -4.385
  134    HG2  ARG  18           2HG      ARG  18  11.274  -0.773  -6.255
  135    HG3  ARG  18           1HG      ARG  18  12.253  -0.678  -4.792
  136    HD2  ARG  18           2HD      ARG  18  11.525  -2.880  -4.773
  137    HD3  ARG  18           1HD      ARG  18  10.360  -2.082  -3.720
  138    HE   ARG  18           HE       ARG  18   9.707  -2.463  -6.553
  139   HH11  ARG  18          1HH1      ARG  18   9.121  -3.250  -3.194
  140   HH12  ARG  18          2HH1      ARG  18   7.590  -4.003  -3.496
  141   HH21  ARG  18          1HH2      ARG  18   7.684  -3.462  -6.964
  142   HH22  ARG  18          2HH2      ARG  18   6.769  -4.112  -5.645
  Start of MODEL   12
    1    H    GLY   1           H        GLY   1   9.486   0.310  -0.268
    2    HA2  GLY   1           2HA      GLY   1  10.998   1.176   1.700
    3    HA3  GLY   1           1HA      GLY   1   9.517   2.050   2.079
    4    H    PHE   2           H        PHE   2   7.813  -0.170   1.065
    5    HA   PHE   2           HA       PHE   2   8.368  -2.552   2.454
    6    HB2  PHE   2           2HB      PHE   2   7.940  -0.906   4.378
    7    HB3  PHE   2           1HB      PHE   2   6.264  -0.887   3.841
    8    HD1  PHE   2           HD1      PHE   2   8.860  -3.513   4.436
    9    HD2  PHE   2           HD2      PHE   2   4.879  -2.172   5.125
   10    HE1  PHE   2           HE1      PHE   2   8.414  -5.531   5.769
   11    HE2  PHE   2           HE2      PHE   2   4.427  -4.187   6.460
   12    HZ   PHE   2           HZ       PHE   2   6.196  -5.870   6.784
   13    H    CYS   3           H        CYS   3   6.600  -4.109   2.215
   14    HA   CYS   3           HA       CYS   3   4.582  -3.217   0.273
   15    HB2  CYS   3           2HB      CYS   3   5.739  -5.994   0.668
   16    HB3  CYS   3           1HB      CYS   3   4.529  -5.544  -0.534
   17    H    ARG   4           H        ARG   4   2.455  -3.487   0.765
   18    HA   ARG   4           HA       ARG   4   1.848  -5.032   3.196
   19    HB2  ARG   4           2HB      ARG   4  -0.049  -3.187   3.399
   20    HB3  ARG   4           1HB      ARG   4   1.550  -2.949   4.089
   21    HG2  ARG   4           2HG      ARG   4   1.600  -1.028   2.976
   22    HG3  ARG   4           1HG      ARG   4   1.812  -1.992   1.514
   23    HD2  ARG   4           2HD      ARG   4   0.005  -0.632   0.991
   24    HD3  ARG   4           1HD      ARG   4  -0.761  -2.135   1.501
   25    HE   ARG   4           HE       ARG   4  -0.418  -0.203   3.612
   26   HH11  ARG   4          1HH1      ARG   4  -2.510  -1.337   1.050
   27   HH12  ARG   4          2HH1      ARG   4  -3.954  -0.676   1.754
   28   HH21  ARG   4          1HH2      ARG   4  -2.323   0.678   4.551
   29   HH22  ARG   4          2HH2      ARG   4  -3.843   0.470   3.744
   30    H    CYS   5           H        CYS   5   0.353  -6.520   2.944
   31    HA   CYS   5           HA       CYS   5  -1.146  -6.649   0.467
   32    HB2  CYS   5           2HB      CYS   5  -0.799  -8.555   2.781
   33    HB3  CYS   5           1HB      CYS   5  -1.936  -8.861   1.472
   34    H    LEU   6           H        LEU   6  -2.180  -4.560   1.348
   35    HA   LEU   6           HA       LEU   6  -4.744  -5.319   2.540
   36    HB2  LEU   6           2HB      LEU   6  -2.841  -3.237   3.540
   37    HB3  LEU   6           1HB      LEU   6  -4.566  -2.982   3.720
   38    HG   LEU   6           HG       LEU   6  -3.908  -5.611   4.651
   39   HD11  LEU   6          1HD1      LEU   6  -2.195  -5.350   6.103
   40   HD12  LEU   6          2HD1      LEU   6  -2.547  -3.646   6.389
   41   HD13  LEU   6          3HD1      LEU   6  -1.692  -4.138   4.926
   42   HD21  LEU   6          1HD2      LEU   6  -4.944  -3.095   5.943
   43   HD22  LEU   6          2HD2      LEU   6  -4.831  -4.646   6.775
   44   HD23  LEU   6          3HD2      LEU   6  -5.875  -4.476   5.365
   45    H    CYS   7           H        CYS   7  -6.413  -3.673   2.167
   46    HA   CYS   7           HA       CYS   7  -6.466  -2.849  -0.521
   47    HB2  CYS   7           2HB      CYS   7  -8.241  -2.495   1.849
   48    HB3  CYS   7           1HB      CYS   7  -8.510  -1.452   0.458
   49    H    ARG   8           H        ARG   8  -6.216  -0.911  -1.491
   50    HA   ARG   8           HA       ARG   8  -5.245   1.330   0.148
   51    HB2  ARG   8           2HB      ARG   8  -3.582   0.010  -1.419
   52    HB3  ARG   8           1HB      ARG   8  -4.347   0.952  -2.688
   53    HG2  ARG   8           2HG      ARG   8  -3.789   2.974  -1.151
   54    HG3  ARG   8           1HG      ARG   8  -2.625   1.859  -0.431
   55    HD2  ARG   8           2HD      ARG   8  -1.823   1.418  -2.806
   56    HD3  ARG   8           1HD      ARG   8  -2.769   2.830  -3.273
   57    HE   ARG   8           HE       ARG   8  -1.178   3.644  -1.173
   58   HH11  ARG   8          1HH1      ARG   8  -0.660   2.313  -4.364
   59   HH12  ARG   8          2HH1      ARG   8   0.853   3.120  -4.603
   60   HH21  ARG   8          1HH2      ARG   8   0.827   4.720  -1.476
   61   HH22  ARG   8          2HH2      ARG   8   1.701   4.492  -2.952
   62    H    ARG   9           H        ARG   9  -5.773   3.450  -0.697
   63    HA   ARG   9           HA       ARG   9  -8.428   3.579  -1.621
   64    HB2  ARG   9           2HB      ARG   9  -8.076   6.030  -1.721
   65    HB3  ARG   9           1HB      ARG   9  -7.597   5.314  -0.192
   66    HG2  ARG   9           2HG      ARG   9  -5.537   6.116  -0.387
   67    HG3  ARG   9           1HG      ARG   9  -5.361   5.438  -2.009
   68    HD2  ARG   9           2HD      ARG   9  -6.812   7.402  -2.781
   69    HD3  ARG   9           1HD      ARG   9  -6.472   8.108  -1.202
   70    HE   ARG   9           HE       ARG   9  -4.257   8.424  -1.830
   71   HH11  ARG   9          1HH1      ARG   9  -6.008   6.700  -4.329
   72   HH12  ARG   9          2HH1      ARG   9  -4.854   7.072  -5.569
   73   HH21  ARG   9          1HH2      ARG   9  -2.721   8.895  -3.462
   74   HH22  ARG   9          2HH2      ARG   9  -2.979   8.317  -5.074
   75    H    GLY  10           H        GLY  10  -8.280   2.295  -3.520
   76    HA2  GLY  10           2HA      GLY  10  -8.823   3.158  -5.869
   77    HA3  GLY  10           1HA      GLY  10  -7.148   3.691  -5.862
   78    H    VAL  11           H        VAL  11  -6.711   1.105  -4.157
   79    HA   VAL  11           HA       VAL  11  -6.985  -0.924  -6.226
   80    HB   VAL  11           HB       VAL  11  -4.458  -1.534  -5.527
   81   HG11  VAL  11          1HG1      VAL  11  -4.251   0.297  -7.706
   82   HG12  VAL  11          2HG1      VAL  11  -5.785  -0.567  -7.814
   83   HG13  VAL  11          3HG1      VAL  11  -4.270  -1.466  -7.729
   84   HG21  VAL  11          1HG2      VAL  11  -3.115   0.175  -4.958
   85   HG22  VAL  11          2HG2      VAL  11  -4.608   0.933  -4.406
   86   HG23  VAL  11          3HG2      VAL  11  -3.957   1.322  -5.999
   87    H    CYS  12           H        CYS  12  -8.121  -2.363  -5.069
   88    HA   CYS  12           HA       CYS  12  -7.403  -2.869  -2.294
   89    HB2  CYS  12           2HB      CYS  12  -9.805  -3.168  -3.904
   90    HB3  CYS  12           1HB      CYS  12  -9.457  -4.623  -2.975
   91    H    ARG  13           H        ARG  13  -5.311  -3.707  -3.063
   92    HA   ARG  13           HA       ARG  13  -5.335  -6.570  -3.079
   93    HB2  ARG  13           2HB      ARG  13  -5.708  -5.943  -5.509
   94    HB3  ARG  13           1HB      ARG  13  -4.122  -5.189  -5.483
   95    HG2  ARG  13           2HG      ARG  13  -3.902  -7.851  -4.480
   96    HG3  ARG  13           1HG      ARG  13  -4.764  -7.874  -6.020
   97    HD2  ARG  13           2HD      ARG  13  -2.902  -6.373  -6.897
   98    HD3  ARG  13           1HD      ARG  13  -2.022  -6.789  -5.427
   99    HE   ARG  13           HE       ARG  13  -2.954  -8.837  -7.334
  100   HH11  ARG  13          1HH1      ARG  13  -0.430  -7.398  -5.369
  101   HH12  ARG  13          2HH1      ARG  13   0.724  -8.647  -5.719
  102   HH21  ARG  13          1HH2      ARG  13  -1.431 -10.486  -7.794
  103   HH22  ARG  13          2HH2      ARG  13   0.155 -10.403  -7.100
  104    H    CYS  14           H        CYS  14  -3.185  -7.429  -2.759
  105    HA   CYS  14           HA       CYS  14  -1.559  -5.869  -1.093
  106    HB2  CYS  14           2HB      CYS  14  -1.643  -8.376  -1.121
  107    HB3  CYS  14           1HB      CYS  14  -0.736  -8.346  -2.628
  108    H    ILE  15           H        ILE  15  -0.276  -4.235  -1.638
  109    HA   ILE  15           HA       ILE  15   1.004  -4.302  -4.286
  110    HB   ILE  15           HB       ILE  15   0.998  -1.729  -4.037
  111   HG12  ILE  15          2HG1      ILE  15  -1.507  -1.521  -2.773
  112   HG13  ILE  15          1HG1      ILE  15  -0.518  -2.517  -1.708
  113   HG21  ILE  15          1HG2      ILE  15  -0.320  -2.150  -5.782
  114   HG22  ILE  15          2HG2      ILE  15  -1.674  -1.992  -4.661
  115   HG23  ILE  15          3HG2      ILE  15  -1.007  -3.585  -5.019
  116   HD11  ILE  15          1HD1      ILE  15  -0.501  -0.005  -1.329
  117   HD12  ILE  15          2HD1      ILE  15   0.471   0.092  -2.798
  118   HD13  ILE  15          3HD1      ILE  15   1.060  -0.821  -1.408
  119    H    CYS  16           H        CYS  16   2.993  -2.927  -4.401
  120    HA   CYS  16           HA       CYS  16   4.491  -3.114  -1.882
  121    HB2  CYS  16           2HB      CYS  16   5.192  -3.752  -4.700
  122    HB3  CYS  16           1HB      CYS  16   6.458  -3.024  -3.714
  123    H    THR  17           H        THR  17   5.153  -1.278  -1.030
  124    HA   THR  17           HA       THR  17   5.137   1.147  -2.696
  125    HB   THR  17           HB       THR  17   5.275   1.870   0.035
  126    HG1  THR  17           HG1      THR  17   4.598  -0.241   0.588
  127   HG21  THR  17          1HG2      THR  17   3.876   3.315  -0.976
  128   HG22  THR  17          2HG2      THR  17   2.616   2.130  -0.646
  129   HG23  THR  17          3HG2      THR  17   3.423   2.140  -2.212
  130    H    ARG  18           H        ARG  18   6.983   2.529  -2.608
  131    HA   ARG  18           HA       ARG  18   9.472   1.304  -2.335
  132    HB2  ARG  18           2HB      ARG  18   8.452   3.984  -2.900
  133    HB3  ARG  18           1HB      ARG  18   9.992   4.007  -2.054
  134    HG2  ARG  18           2HG      ARG  18  11.091   2.878  -3.782
  135    HG3  ARG  18           1HG      ARG  18   9.576   2.330  -4.505
  136    HD2  ARG  18           2HD      ARG  18  10.800   4.239  -5.668
  137    HD3  ARG  18           1HD      ARG  18   9.080   4.457  -5.353
  138    HE   ARG  18           HE       ARG  18  10.845   5.515  -3.316
  139   HH11  ARG  18          1HH1      ARG  18   9.097   6.179  -6.273
  140   HH12  ARG  18          2HH1      ARG  18   9.045   7.890  -6.016
  141   HH21  ARG  18          1HH2      ARG  18  10.782   7.779  -2.963
  142   HH22  ARG  18          2HH2      ARG  18  10.010   8.805  -4.126
  Start of MODEL   13
    1    H    GLY   1           H        GLY   1   9.310  -1.457   1.360
    2    HA2  GLY   1           2HA      GLY   1  10.272  -0.112   3.404
    3    HA3  GLY   1           1HA      GLY   1   9.175   1.105   2.762
    4    H    PHE   2           H        PHE   2   7.284  -1.020   1.846
    5    HA   PHE   2           HA       PHE   2   6.408  -2.596   3.985
    6    HB2  PHE   2           2HB      PHE   2   5.968  -0.246   4.919
    7    HB3  PHE   2           1HB      PHE   2   4.715  -0.110   3.690
    8    HD1  PHE   2           HD1      PHE   2   5.819  -2.363   6.445
    9    HD2  PHE   2           HD2      PHE   2   2.570  -0.774   4.201
   10    HE1  PHE   2           HE1      PHE   2   4.232  -3.499   7.944
   11    HE2  PHE   2           HE2      PHE   2   0.978  -1.906   5.697
   12    HZ   PHE   2           HZ       PHE   2   1.808  -3.271   7.572
   13    H    CYS   3           H        CYS   3   4.556  -3.863   3.320
   14    HA   CYS   3           HA       CYS   3   3.742  -3.310   0.552
   15    HB2  CYS   3           2HB      CYS   3   3.988  -5.915   2.058
   16    HB3  CYS   3           1HB      CYS   3   3.163  -5.780   0.505
   17    H    ARG   4           H        ARG   4   1.779  -2.559   0.316
   18    HA   ARG   4           HA       ARG   4  -0.133  -2.672   2.458
   19    HB2  ARG   4           2HB      ARG   4   0.304  -1.043   0.165
   20    HB3  ARG   4           1HB      ARG   4  -1.319  -1.707   0.049
   21    HG2  ARG   4           2HG      ARG   4  -2.085  -0.366   1.646
   22    HG3  ARG   4           1HG      ARG   4  -0.731  -0.738   2.716
   23    HD2  ARG   4           2HD      ARG   4  -0.330   1.070   0.367
   24    HD3  ARG   4           1HD      ARG   4  -1.069   1.694   1.842
   25    HE   ARG   4           HE       ARG   4   0.954   1.272   3.001
   26   HH11  ARG   4          1HH1      ARG   4   1.165   0.700  -0.441
   27   HH12  ARG   4          2HH1      ARG   4   2.902   0.710  -0.477
   28   HH21  ARG   4          1HH2      ARG   4   3.250   1.323   2.962
   29   HH22  ARG   4          2HH2      ARG   4   4.082   1.084   1.461
   30    H    CYS   5           H        CYS   5  -0.323  -5.013   2.508
   31    HA   CYS   5           HA       CYS   5  -1.875  -6.153   0.301
   32    HB2  CYS   5           2HB      CYS   5   0.033  -7.228   2.215
   33    HB3  CYS   5           1HB      CYS   5  -1.452  -8.175   2.170
   34    H    LEU   6           H        LEU   6  -2.314  -4.662   3.229
   35    HA   LEU   6           HA       LEU   6  -4.669  -6.139   4.044
   36    HB2  LEU   6           2HB      LEU   6  -2.913  -4.156   5.217
   37    HB3  LEU   6           1HB      LEU   6  -4.588  -3.672   5.387
   38    HG   LEU   6           HG       LEU   6  -3.885  -4.878   7.358
   39   HD11  LEU   6          1HD1      LEU   6  -5.673  -6.661   5.717
   40   HD12  LEU   6          2HD1      LEU   6  -6.200  -5.176   6.507
   41   HD13  LEU   6          3HD1      LEU   6  -5.616  -6.530   7.475
   42   HD21  LEU   6          1HD2      LEU   6  -2.158  -6.281   6.890
   43   HD22  LEU   6          2HD2      LEU   6  -2.850  -6.805   5.356
   44   HD23  LEU   6          3HD2      LEU   6  -3.475  -7.453   6.873
   45    H    CYS   7           H        CYS   7  -5.905  -5.924   2.167
   46    HA   CYS   7           HA       CYS   7  -6.446  -3.660   0.732
   47    HB2  CYS   7           2HB      CYS   7  -8.178  -6.054   1.277
   48    HB3  CYS   7           1HB      CYS   7  -8.647  -4.766   0.169
   49    H    ARG   8           H        ARG   8  -6.990  -1.810   1.442
   50    HA   ARG   8           HA       ARG   8  -9.130  -1.535   3.434
   51    HB2  ARG   8           2HB      ARG   8  -6.563  -0.420   3.327
   52    HB3  ARG   8           1HB      ARG   8  -7.623   0.896   2.852
   53    HG2  ARG   8           2HG      ARG   8  -8.443   1.139   4.924
   54    HG3  ARG   8           1HG      ARG   8  -8.523  -0.603   5.204
   55    HD2  ARG   8           2HD      ARG   8  -6.856  -0.118   6.662
   56    HD3  ARG   8           1HD      ARG   8  -5.874  -0.305   5.209
   57    HE   ARG   8           HE       ARG   8  -6.471   2.312   5.157
   58   HH11  ARG   8          1HH1      ARG   8  -5.214   0.250   7.682
   59   HH12  ARG   8          2HH1      ARG   8  -4.332   1.517   8.465
   60   HH21  ARG   8          1HH2      ARG   8  -5.307   4.002   6.180
   61   HH22  ARG   8          2HH2      ARG   8  -4.387   3.662   7.608
   62    H    ARG   9           H        ARG   9 -10.768   0.107   3.024
   63    HA   ARG   9           HA       ARG   9 -11.657   0.048   0.346
   64    HB2  ARG   9           2HB      ARG   9 -12.587   1.326   2.864
   65    HB3  ARG   9           1HB      ARG   9 -13.206   1.980   1.354
   66    HG2  ARG   9           2HG      ARG   9 -14.789   0.413   1.638
   67    HG3  ARG   9           1HG      ARG   9 -13.581  -0.646   0.909
   68    HD2  ARG   9           2HD      ARG   9 -13.682  -0.219   3.875
   69    HD3  ARG   9           1HD      ARG   9 -14.732  -1.397   3.091
   70    HE   ARG   9           HE       ARG   9 -12.047  -1.794   2.288
   71   HH11  ARG   9          1HH1      ARG   9 -14.196  -2.270   5.004
   72   HH12  ARG   9          2HH1      ARG   9 -13.296  -3.596   5.660
   73   HH21  ARG   9          1HH2      ARG   9 -10.825  -3.549   3.159
   74   HH22  ARG   9          2HH2      ARG   9 -11.378  -4.324   4.607
   75    H    GLY  10           H        GLY  10  -9.852   0.841  -0.774
   76    HA2  GLY  10           2HA      GLY  10  -9.877   3.097  -2.086
   77    HA3  GLY  10           1HA      GLY  10  -9.292   3.716  -0.547
   78    H    VAL  11           H        VAL  11  -7.886   1.028  -0.164
   79    HA   VAL  11           HA       VAL  11  -5.772   1.240  -2.169
   80    HB   VAL  11           HB       VAL  11  -4.190   0.853  -0.031
   81   HG11  VAL  11          1HG1      VAL  11  -4.461   3.681  -0.315
   82   HG12  VAL  11          2HG1      VAL  11  -4.677   2.910  -1.887
   83   HG13  VAL  11          3HG1      VAL  11  -3.213   2.610  -0.951
   84   HG21  VAL  11          1HG2      VAL  11  -5.717   3.075   1.131
   85   HG22  VAL  11          2HG2      VAL  11  -4.866   1.746   1.916
   86   HG23  VAL  11          3HG2      VAL  11  -6.486   1.494   1.269
   87    H    CYS  12           H        CYS  12  -5.893  -0.749  -3.001
   88    HA   CYS  12           HA       CYS  12  -5.140  -3.002  -1.392
   89    HB2  CYS  12           2HB      CYS  12  -7.414  -3.227  -0.833
   90    HB3  CYS  12           1HB      CYS  12  -7.951  -2.721  -2.431
   91    H    ARG  13           H        ARG  13  -3.863  -4.241  -2.625
   92    HA   ARG  13           HA       ARG  13  -4.411  -5.122  -5.204
   93    HB2  ARG  13           2HB      ARG  13  -3.707  -2.483  -5.372
   94    HB3  ARG  13           1HB      ARG  13  -2.154  -3.275  -5.617
   95    HG2  ARG  13           2HG      ARG  13  -2.927  -4.428  -7.517
   96    HG3  ARG  13           1HG      ARG  13  -4.610  -4.034  -7.166
   97    HD2  ARG  13           2HD      ARG  13  -4.462  -2.130  -8.301
   98    HD3  ARG  13           1HD      ARG  13  -3.049  -1.632  -7.372
   99    HE   ARG  13           HE       ARG  13  -2.329  -3.551  -9.326
  100   HH11  ARG  13          1HH1      ARG  13  -3.224  -0.190  -8.978
  101   HH12  ARG  13          2HH1      ARG  13  -2.363   0.327 -10.388
  102   HH21  ARG  13          1HH2      ARG  13  -1.183  -2.883 -11.198
  103   HH22  ARG  13          2HH2      ARG  13  -1.196  -1.212 -11.657
  104    H    CYS  14           H        CYS  14  -2.284  -4.718  -2.548
  105    HA   CYS  14           HA       CYS  14  -0.425  -5.813  -1.831
  106    HB2  CYS  14           2HB      CYS  14  -1.828  -7.854  -3.512
  107    HB3  CYS  14           1HB      CYS  14  -0.225  -8.225  -2.886
  108    H    ILE  15           H        ILE  15  -0.041  -4.016  -3.996
  109    HA   ILE  15           HA       ILE  15   1.635  -5.191  -5.980
  110    HB   ILE  15           HB       ILE  15   0.279  -3.065  -6.234
  111   HG12  ILE  15          2HG1      ILE  15   2.476  -1.933  -7.377
  112   HG13  ILE  15          1HG1      ILE  15   3.025  -3.592  -7.165
  113   HG21  ILE  15          1HG2      ILE  15   1.390  -2.152  -4.036
  114   HG22  ILE  15          2HG2      ILE  15   0.917  -1.063  -5.340
  115   HG23  ILE  15          3HG2      ILE  15   2.603  -1.551  -5.166
  116   HD11  ILE  15          1HD1      ILE  15   0.868  -4.285  -8.311
  117   HD12  ILE  15          2HD1      ILE  15   2.099  -3.512  -9.309
  118   HD13  ILE  15          3HD1      ILE  15   0.698  -2.589  -8.763
  119    H    CYS  16           H        CYS  16   2.170  -4.005  -2.804
  120    HA   CYS  16           HA       CYS  16   3.977  -4.025  -1.439
  121    HB2  CYS  16           2HB      CYS  16   4.870  -5.713  -3.673
  122    HB3  CYS  16           1HB      CYS  16   6.185  -4.939  -2.795
  123    H    THR  17           H        THR  17   5.685  -2.640  -0.898
  124    HA   THR  17           HA       THR  17   6.723  -0.876  -2.976
  125    HB   THR  17           HB       THR  17   6.165   0.907  -0.899
  126    HG1  THR  17           HG1      THR  17   4.668  -0.864  -0.204
  127   HG21  THR  17          1HG2      THR  17   5.728   1.969  -2.827
  128   HG22  THR  17          2HG2      THR  17   4.106   1.290  -2.699
  129   HG23  THR  17          3HG2      THR  17   5.333   0.465  -3.660
  130    H    ARG  18           H        ARG  18   8.778  -0.064  -2.467
  131    HA   ARG  18           HA       ARG  18  10.373  -1.501  -0.687
  132    HB2  ARG  18           2HB      ARG  18  10.837   0.230  -2.727
  133    HB3  ARG  18           1HB      ARG  18  11.258   1.242  -1.355
  134    HG2  ARG  18           2HG      ARG  18  12.409  -1.506  -1.582
  135    HG3  ARG  18           1HG      ARG  18  13.077  -0.184  -2.534
  136    HD2  ARG  18           2HD      ARG  18  13.196  -0.679   0.377
  137    HD3  ARG  18           1HD      ARG  18  14.385   0.053  -0.697
  138    HE   ARG  18           HE       ARG  18  11.992   1.478   0.300
  139   HH11  ARG  18          1HH1      ARG  18  15.391   1.399  -0.540
  140   HH12  ARG  18          2HH1      ARG  18  15.664   3.060  -0.136
  141   HH21  ARG  18          1HH2      ARG  18  12.341   3.666   0.838
  142   HH22  ARG  18          2HH2      ARG  18  13.919   4.358   0.653
  Start of MODEL   14
    1    H    GLY   1           H        GLY   1  10.194  -1.717  -0.891
    2    HA2  GLY   1           2HA      GLY   1  12.167  -1.019   0.739
    3    HA3  GLY   1           1HA      GLY   1  11.087   0.355   0.947
    4    H    PHE   2           H        PHE   2   8.733  -1.486   0.462
    5    HA   PHE   2           HA       PHE   2   8.727  -3.423   2.537
    6    HB2  PHE   2           2HB      PHE   2   8.520  -0.961   3.604
    7    HB3  PHE   2           1HB      PHE   2   6.825  -1.238   3.218
    8    HD1  PHE   2           HD1      PHE   2   5.683  -3.267   4.175
    9    HD2  PHE   2           HD2      PHE   2   9.517  -1.956   5.476
   10    HE1  PHE   2           HE1      PHE   2   5.428  -4.583   6.238
   11    HE2  PHE   2           HE2      PHE   2   9.269  -3.271   7.541
   12    HZ   PHE   2           HZ       PHE   2   7.222  -4.586   7.923
   13    H    CYS   3           H        CYS   3   6.789  -4.706   2.449
   14    HA   CYS   3           HA       CYS   3   4.842  -3.839   0.428
   15    HB2  CYS   3           2HB      CYS   3   6.221  -6.486   0.748
   16    HB3  CYS   3           1HB      CYS   3   4.607  -6.418   0.046
   17    H    ARG   4           H        ARG   4   2.823  -3.770   1.136
   18    HA   ARG   4           HA       ARG   4   2.089  -5.402   3.469
   19    HB2  ARG   4           2HB      ARG   4   1.927  -2.468   3.097
   20    HB3  ARG   4           1HB      ARG   4   0.515  -3.230   3.816
   21    HG2  ARG   4           2HG      ARG   4   1.729  -3.994   5.667
   22    HG3  ARG   4           1HG      ARG   4   3.280  -3.713   4.870
   23    HD2  ARG   4           2HD      ARG   4   2.712  -1.263   4.866
   24    HD3  ARG   4           1HD      ARG   4   1.334  -1.653   5.894
   25    HE   ARG   4           HE       ARG   4   3.005  -2.537   7.510
   26   HH11  ARG   4          1HH1      ARG   4   3.944  -0.150   5.133
   27   HH12  ARG   4          2HH1      ARG   4   5.273   0.452   6.065
   28   HH21  ARG   4          1HH2      ARG   4   4.762  -1.752   8.754
   29   HH22  ARG   4          2HH2      ARG   4   5.742  -0.465   8.133
   30    H    CYS   5           H        CYS   5   0.197  -6.455   3.286
   31    HA   CYS   5           HA       CYS   5  -1.274  -6.136   0.794
   32    HB2  CYS   5           2HB      CYS   5  -1.240  -8.274   2.919
   33    HB3  CYS   5           1HB      CYS   5  -2.466  -8.238   1.654
   34    H    LEU   6           H        LEU   6  -2.645  -4.470   0.948
   35    HA   LEU   6           HA       LEU   6  -4.805  -4.689   2.883
   36    HB2  LEU   6           2HB      LEU   6  -4.670  -2.326   3.498
   37    HB3  LEU   6           1HB      LEU   6  -3.222  -3.190   3.975
   38    HG   LEU   6           HG       LEU   6  -2.698  -2.137   1.412
   39   HD11  LEU   6          1HD1      LEU   6  -3.824  -0.037   3.257
   40   HD12  LEU   6          2HD1      LEU   6  -4.624  -0.635   1.804
   41   HD13  LEU   6          3HD1      LEU   6  -3.089   0.223   1.675
   42   HD21  LEU   6          1HD2      LEU   6  -1.761  -1.703   4.201
   43   HD22  LEU   6          2HD2      LEU   6  -1.238  -0.577   2.949
   44   HD23  LEU   6          3HD2      LEU   6  -0.882  -2.298   2.793
   45    H    CYS   7           H        CYS   7  -6.579  -3.111   2.312
   46    HA   CYS   7           HA       CYS   7  -6.875  -3.124  -0.580
   47    HB2  CYS   7           2HB      CYS   7  -8.745  -3.010   1.725
   48    HB3  CYS   7           1HB      CYS   7  -9.247  -2.204   0.242
   49    H    ARG   8           H        ARG   8  -6.388  -1.433  -1.714
   50    HA   ARG   8           HA       ARG   8  -6.332   1.213  -0.467
   51    HB2  ARG   8           2HB      ARG   8  -4.526  -0.077  -2.111
   52    HB3  ARG   8           1HB      ARG   8  -5.377   0.963  -3.241
   53    HG2  ARG   8           2HG      ARG   8  -4.817   2.600  -1.065
   54    HG3  ARG   8           1HG      ARG   8  -3.370   1.614  -1.277
   55    HD2  ARG   8           2HD      ARG   8  -4.373   2.519  -3.822
   56    HD3  ARG   8           1HD      ARG   8  -4.107   3.882  -2.735
   57    HE   ARG   8           HE       ARG   8  -1.809   2.801  -2.415
   58   HH11  ARG   8          1HH1      ARG   8  -3.637   2.704  -5.397
   59   HH12  ARG   8          2HH1      ARG   8  -2.235   2.567  -6.407
   60   HH21  ARG   8          1HH2      ARG   8   0.051   2.616  -3.740
   61   HH22  ARG   8          2HH2      ARG   8  -0.129   2.515  -5.460
   62    H    ARG   9           H        ARG   9  -7.356   3.016  -1.572
   63    HA   ARG   9           HA       ARG   9  -9.960   2.418  -2.437
   64    HB2  ARG   9           2HB      ARG   9  -8.974   4.605  -1.417
   65    HB3  ARG   9           1HB      ARG   9  -8.639   5.031  -3.090
   66    HG2  ARG   9           2HG      ARG   9 -11.111   4.529  -3.515
   67    HG3  ARG   9           1HG      ARG   9 -11.286   4.594  -1.761
   68    HD2  ARG   9           2HD      ARG   9  -9.854   6.856  -2.249
   69    HD3  ARG   9           1HD      ARG   9 -10.852   6.753  -3.699
   70    HE   ARG   9           HE       ARG   9 -12.022   6.669  -0.995
   71   HH11  ARG   9          1HH1      ARG   9 -11.876   7.999  -4.225
   72   HH12  ARG   9          2HH1      ARG   9 -13.297   8.972  -4.034
   73   HH21  ARG   9          1HH2      ARG   9 -13.905   7.950  -0.728
   74   HH22  ARG   9          2HH2      ARG   9 -14.456   8.943  -2.036
   75    H    GLY  10           H        GLY  10  -9.557   0.883  -4.103
   76    HA2  GLY  10           2HA      GLY  10 -10.216   1.060  -6.524
   77    HA3  GLY  10           1HA      GLY  10  -8.806   2.098  -6.693
   78    H    VAL  11           H        VAL  11  -7.502   0.203  -4.616
   79    HA   VAL  11           HA       VAL  11  -6.980  -2.071  -6.407
   80    HB   VAL  11           HB       VAL  11  -4.781  -0.628  -4.911
   81   HG11  VAL  11          1HG1      VAL  11  -3.645  -2.078  -6.945
   82   HG12  VAL  11          2HG1      VAL  11  -4.959  -3.126  -6.408
   83   HG13  VAL  11          3HG1      VAL  11  -3.742  -2.577  -5.256
   84   HG21  VAL  11          1HG2      VAL  11  -4.094  -0.174  -7.432
   85   HG22  VAL  11          2HG2      VAL  11  -5.124   0.937  -6.531
   86   HG23  VAL  11          3HG2      VAL  11  -5.843  -0.217  -7.653
   87    H    CYS  12           H        CYS  12  -8.164  -3.457  -5.080
   88    HA   CYS  12           HA       CYS  12  -7.530  -3.630  -2.255
   89    HB2  CYS  12           2HB      CYS  12  -9.667  -4.576  -3.993
   90    HB3  CYS  12           1HB      CYS  12  -9.105  -5.836  -2.902
   91    H    ARG  13           H        ARG  13  -5.225  -4.036  -3.024
   92    HA   ARG  13           HA       ARG  13  -4.580  -6.766  -2.551
   93    HB2  ARG  13           2HB      ARG  13  -5.219  -6.620  -5.068
   94    HB3  ARG  13           1HB      ARG  13  -3.696  -5.762  -5.250
   95    HG2  ARG  13           2HG      ARG  13  -2.717  -7.842  -4.003
   96    HG3  ARG  13           1HG      ARG  13  -4.194  -8.620  -4.573
   97    HD2  ARG  13           2HD      ARG  13  -2.129  -8.804  -6.061
   98    HD3  ARG  13           1HD      ARG  13  -3.631  -8.289  -6.827
   99    HE   ARG  13           HE       ARG  13  -2.764  -6.111  -7.024
  100   HH11  ARG  13          1HH1      ARG  13  -0.463  -8.355  -5.647
  101   HH12  ARG  13          2HH1      ARG  13   0.895  -7.303  -5.864
  102   HH21  ARG  13          1HH2      ARG  13  -0.962  -4.723  -7.349
  103   HH22  ARG  13          2HH2      ARG  13   0.614  -5.237  -6.841
  104    H    CYS  14           H        CYS  14  -2.258  -7.056  -2.335
  105    HA   CYS  14           HA       CYS  14  -0.971  -4.830  -1.177
  106    HB2  CYS  14           2HB      CYS  14   0.849  -6.942  -2.015
  107    HB3  CYS  14           1HB      CYS  14   0.438  -6.396  -0.392
  108    H    ILE  15           H        ILE  15  -0.771  -3.147  -2.607
  109    HA   ILE  15           HA       ILE  15   0.079  -3.306  -5.265
  110    HB   ILE  15           HB       ILE  15   0.834  -0.864  -3.762
  111   HG12  ILE  15          2HG1      ILE  15  -1.897  -0.523  -4.205
  112   HG13  ILE  15          1HG1      ILE  15  -1.776  -2.119  -3.470
  113   HG21  ILE  15          1HG2      ILE  15   0.248   0.221  -5.696
  114   HG22  ILE  15          2HG2      ILE  15  -0.976  -0.973  -6.126
  115   HG23  ILE  15          3HG2      ILE  15   0.735  -1.350  -6.332
  116   HD11  ILE  15          1HD1      ILE  15  -0.111  -0.524  -1.932
  117   HD12  ILE  15          2HD1      ILE  15  -1.728  -1.086  -1.512
  118   HD13  ILE  15          3HD1      ILE  15  -1.513   0.490  -2.273
  119    H    CYS  16           H        CYS  16   1.869  -2.978  -2.283
  120    HA   CYS  16           HA       CYS  16   4.024  -3.427  -1.748
  121    HB2  CYS  16           2HB      CYS  16   3.891  -4.502  -4.480
  122    HB3  CYS  16           1HB      CYS  16   5.501  -3.987  -3.985
  123    H    THR  17           H        THR  17   5.871  -2.232  -1.521
  124    HA   THR  17           HA       THR  17   6.217   0.083  -3.295
  125    HB   THR  17           HB       THR  17   6.912   0.977  -0.722
  126    HG1  THR  17           HG1      THR  17   5.643  -0.829   0.072
  127   HG21  THR  17          1HG2      THR  17   5.910   2.689  -1.777
  128   HG22  THR  17          2HG2      THR  17   4.395   2.020  -1.173
  129   HG23  THR  17          3HG2      THR  17   4.954   1.608  -2.794
  130    H    ARG  18           H        ARG  18   8.409   0.693  -3.567
  131    HA   ARG  18           HA       ARG  18  10.333  -1.324  -3.136
  132    HB2  ARG  18           2HB      ARG  18  10.184   1.173  -4.525
  133    HB3  ARG  18           1HB      ARG  18  11.662   1.145  -3.573
  134    HG2  ARG  18           2HG      ARG  18  10.804  -0.810  -5.691
  135    HG3  ARG  18           1HG      ARG  18  12.175   0.300  -5.732
  136    HD2  ARG  18           2HD      ARG  18  12.592  -1.179  -3.432
  137    HD3  ARG  18           1HD      ARG  18  11.962  -2.360  -4.579
  138    HE   ARG  18           HE       ARG  18  14.260  -0.633  -5.228
  139   HH11  ARG  18          1HH1      ARG  18  12.764  -3.788  -5.021
  140   HH12  ARG  18          2HH1      ARG  18  14.084  -4.613  -5.781
  141   HH21  ARG  18          1HH2      ARG  18  16.014  -1.713  -6.238
  142   HH22  ARG  18          2HH2      ARG  18  15.940  -3.427  -6.476
  Start of MODEL   15
    1    H    GLY   1           H        GLY   1  10.458  -5.717  -0.291
    2    HA2  GLY   1           2HA      GLY   1  12.302  -4.840   1.225
    3    HA3  GLY   1           1HA      GLY   1  12.199  -3.395   0.226
    4    H    PHE   2           H        PHE   2   9.209  -3.823  -0.004
    5    HA   PHE   2           HA       PHE   2   8.276  -3.430   2.708
    6    HB2  PHE   2           2HB      PHE   2   9.191  -1.193   1.832
    7    HB3  PHE   2           1HB      PHE   2   7.803  -1.192   0.749
    8    HD1  PHE   2           HD2      PHE   2   8.366  -1.938   4.368
    9    HD2  PHE   2           HD1      PHE   2   6.115   0.178   1.440
   10    HE1  PHE   2           HE2      PHE   2   6.984  -0.952   6.148
   11    HE2  PHE   2           HE1      PHE   2   4.730   1.168   3.215
   12    HZ   PHE   2           HZ       PHE   2   5.162   0.602   5.573
   13    H    CYS   3           H        CYS   3   6.238  -4.415   2.803
   14    HA   CYS   3           HA       CYS   3   4.687  -4.443   0.307
   15    HB2  CYS   3           2HB      CYS   3   5.375  -6.647   2.182
   16    HB3  CYS   3           1HB      CYS   3   3.756  -6.657   1.490
   17    H    ARG   4           H        ARG   4   2.724  -3.614   0.429
   18    HA   ARG   4           HA       ARG   4   1.420  -3.429   3.061
   19    HB2  ARG   4           2HB      ARG   4   2.531  -1.265   1.819
   20    HB3  ARG   4           1HB      ARG   4   0.884  -1.206   1.204
   21    HG2  ARG   4           2HG      ARG   4   0.693   0.081   3.083
   22    HG3  ARG   4           1HG      ARG   4   0.247  -1.500   3.722
   23    HD2  ARG   4           2HD      ARG   4   3.025  -0.332   3.853
   24    HD3  ARG   4           1HD      ARG   4   1.841  -0.228   5.157
   25    HE   ARG   4           HE       ARG   4   3.024  -2.742   4.148
   26   HH11  ARG   4          1HH1      ARG   4   1.573  -0.847   6.712
   27   HH12  ARG   4          2HH1      ARG   4   1.751  -2.087   7.907
   28   HH21  ARG   4          1HH2      ARG   4   3.261  -4.381   5.712
   29   HH22  ARG   4          2HH2      ARG   4   2.718  -4.109   7.337
   30    H    CYS   5           H        CYS   5   0.675  -5.482   1.719
   31    HA   CYS   5           HA       CYS   5  -1.361  -4.945  -0.243
   32    HB2  CYS   5           2HB      CYS   5  -0.295  -7.423   1.076
   33    HB3  CYS   5           1HB      CYS   5  -1.787  -7.487   0.144
   34    H    LEU   6           H        LEU   6  -2.258  -3.446   1.614
   35    HA   LEU   6           HA       LEU   6  -3.967  -4.855   3.485
   36    HB2  LEU   6           2HB      LEU   6  -3.430  -1.949   2.922
   37    HB3  LEU   6           1HB      LEU   6  -4.733  -2.451   3.983
   38    HG   LEU   6           HG       LEU   6  -1.962  -3.446   4.507
   39   HD11  LEU   6          1HD1      LEU   6  -2.994  -0.787   5.472
   40   HD12  LEU   6          2HD1      LEU   6  -1.830  -0.980   4.162
   41   HD13  LEU   6          3HD1      LEU   6  -1.417  -1.508   5.793
   42   HD21  LEU   6          1HD2      LEU   6  -3.897  -2.569   6.583
   43   HD22  LEU   6          2HD2      LEU   6  -2.744  -3.905   6.599
   44   HD23  LEU   6          3HD2      LEU   6  -4.251  -4.050   5.693
   45    H    CYS   7           H        CYS   7  -5.195  -5.981   1.905
   46    HA   CYS   7           HA       CYS   7  -6.727  -4.698  -0.082
   47    HB2  CYS   7           2HB      CYS   7  -6.620  -7.410   1.105
   48    HB3  CYS   7           1HB      CYS   7  -8.110  -6.963   0.281
   49    H    ARG   8           H        ARG   8  -8.359  -3.415   0.149
   50    HA   ARG   8           HA       ARG   8  -9.989  -3.478   2.570
   51    HB2  ARG   8           2HB      ARG   8  -8.949  -1.375   1.217
   52    HB3  ARG   8           1HB      ARG   8 -10.514  -1.478   0.428
   53    HG2  ARG   8           2HG      ARG   8 -11.630  -0.759   2.258
   54    HG3  ARG   8           1HG      ARG   8 -10.527  -1.559   3.380
   55    HD2  ARG   8           2HD      ARG   8  -9.835   0.542   3.794
   56    HD3  ARG   8           1HD      ARG   8  -8.887   0.305   2.326
   57    HE   ARG   8           HE       ARG   8 -10.709   1.449   1.124
   58   HH11  ARG   8          1HH1      ARG   8 -10.434   1.904   4.584
   59   HH12  ARG   8          2HH1      ARG   8 -11.255   3.429   4.582
   60   HH21  ARG   8          1HH2      ARG   8 -11.796   3.467   1.114
   61   HH22  ARG   8          2HH2      ARG   8 -12.030   4.319   2.604
   62    H    ARG   9           H        ARG   9 -12.375  -3.481   2.337
   63    HA   ARG   9           HA       ARG   9 -13.186  -5.558   0.594
   64    HB2  ARG   9           2HB      ARG   9 -15.090  -3.676   1.977
   65    HB3  ARG   9           1HB      ARG   9 -15.345  -5.357   1.539
   66    HG2  ARG   9           2HG      ARG   9 -13.342  -4.457   3.595
   67    HG3  ARG   9           1HG      ARG   9 -14.993  -4.951   3.973
   68    HD2  ARG   9           2HD      ARG   9 -14.046  -6.981   4.234
   69    HD3  ARG   9           1HD      ARG   9 -14.196  -7.049   2.478
   70    HE   ARG   9           HE       ARG   9 -11.719  -6.027   3.679
   71   HH11  ARG   9          1HH1      ARG   9 -13.388  -8.483   1.832
   72   HH12  ARG   9          2HH1      ARG   9 -11.934  -9.204   1.225
   73   HH21  ARG   9          1HH2      ARG   9  -9.785  -6.962   2.873
   74   HH22  ARG   9          2HH2      ARG   9  -9.881  -8.341   1.825
   75    H    GLY  10           H        GLY  10 -12.494  -4.734  -1.414
   76    HA2  GLY  10           2HA      GLY  10 -13.936  -4.199  -3.417
   77    HA3  GLY  10           1HA      GLY  10 -14.279  -2.689  -2.584
   78    H    VAL  11           H        VAL  11 -11.357  -2.877  -1.599
   79    HA   VAL  11           HA       VAL  11 -10.062  -1.975  -4.086
   80    HB   VAL  11           HB       VAL  11  -9.466  -0.722  -1.408
   81   HG11  VAL  11          1HG1      VAL  11  -8.715   1.142  -3.006
   82   HG12  VAL  11          2HG1      VAL  11  -8.797  -0.094  -4.261
   83   HG13  VAL  11          3HG1      VAL  11  -7.712  -0.305  -2.887
   84   HG21  VAL  11          1HG2      VAL  11 -11.663  -0.035  -1.609
   85   HG22  VAL  11          2HG2      VAL  11 -11.604  -0.004  -3.371
   86   HG23  VAL  11          3HG2      VAL  11 -10.799   1.258  -2.440
   87    H    CYS  12           H        CYS  12  -9.052  -4.013  -4.279
   88    HA   CYS  12           HA       CYS  12  -7.329  -4.890  -2.110
   89    HB2  CYS  12           2HB      CYS  12  -8.662  -6.181  -4.286
   90    HB3  CYS  12           1HB      CYS  12  -6.933  -6.496  -4.414
   91    H    ARG  13           H        ARG  13  -6.024  -2.935  -2.287
   92    HA   ARG  13           HA       ARG  13  -4.271  -2.765  -4.597
   93    HB2  ARG  13           2HB      ARG  13  -3.255  -0.894  -2.994
   94    HB3  ARG  13           1HB      ARG  13  -4.687  -0.606  -3.972
   95    HG2  ARG  13           2HG      ARG  13  -5.812  -0.088  -2.142
   96    HG3  ARG  13           1HG      ARG  13  -5.560  -1.724  -1.531
   97    HD2  ARG  13           2HD      ARG  13  -3.197  -0.763  -0.889
   98    HD3  ARG  13           1HD      ARG  13  -4.052   0.779  -0.951
   99    HE   ARG  13           HE       ARG  13  -5.036  -1.443   0.719
  100   HH11  ARG  13          1HH1      ARG  13  -3.931   1.860   0.369
  101   HH12  ARG  13          2HH1      ARG  13  -4.367   2.316   1.983
  102   HH21  ARG  13          1HH2      ARG  13  -5.618  -0.855   2.840
  103   HH22  ARG  13          2HH2      ARG  13  -5.326   0.760   3.399
  104    H    CYS  14           H        CYS  14  -3.056  -4.630  -4.474
  105    HA   CYS  14           HA       CYS  14  -1.618  -5.284  -2.058
  106    HB2  CYS  14           2HB      CYS  14  -2.513  -6.771  -4.190
  107    HB3  CYS  14           1HB      CYS  14  -0.789  -6.644  -4.524
  108    H    ILE  15           H        ILE  15  -0.441  -3.286  -1.874
  109    HA   ILE  15           HA       ILE  15   1.512  -2.601  -3.879
  110    HB   ILE  15           HB       ILE  15   1.592  -1.517  -1.086
  111   HG12  ILE  15          2HG1      ILE  15  -0.184  -0.228  -3.117
  112   HG13  ILE  15          1HG1      ILE  15  -0.807  -1.600  -2.207
  113   HG21  ILE  15          1HG2      ILE  15   3.224  -0.401  -2.149
  114   HG22  ILE  15          2HG2      ILE  15   1.902   0.558  -2.816
  115   HG23  ILE  15          3HG2      ILE  15   2.580  -0.777  -3.747
  116   HD11  ILE  15          1HD1      ILE  15   0.446   0.707  -0.785
  117   HD12  ILE  15          2HD1      ILE  15  -0.740  -0.460  -0.200
  118   HD13  ILE  15          3HD1      ILE  15  -1.224   0.793  -1.342
  119    H    CYS  16           H        CYS  16   2.508  -4.809  -3.829
  120    HA   CYS  16           HA       CYS  16   4.290  -5.182  -1.531
  121    HB2  CYS  16           2HB      CYS  16   2.777  -6.998  -3.132
  122    HB3  CYS  16           1HB      CYS  16   4.487  -7.364  -3.347
  123    H    THR  17           H        THR  17   6.148  -4.189  -1.780
  124    HA   THR  17           HA       THR  17   7.505  -4.342  -4.392
  125    HB   THR  17           HB       THR  17   8.663  -2.232  -2.951
  126    HG1  THR  17           HG1      THR  17   6.697  -2.391  -1.607
  127   HG21  THR  17          1HG2      THR  17   6.870  -1.012  -4.657
  128   HG22  THR  17          2HG2      THR  17   7.080  -2.606  -5.377
  129   HG23  THR  17          3HG2      THR  17   8.482  -1.574  -5.093
  130    H    ARG  18           H        ARG  18   9.708  -4.945  -4.350
  131    HA   ARG  18           HA       ARG  18  10.559  -6.629  -2.302
  132    HB2  ARG  18           2HB      ARG  18  12.927  -5.939  -3.435
  133    HB3  ARG  18           1HB      ARG  18  11.821  -7.127  -4.107
  134    HG2  ARG  18           2HG      ARG  18  12.128  -5.881  -5.965
  135    HG3  ARG  18           1HG      ARG  18  10.814  -4.942  -5.255
  136    HD2  ARG  18           2HD      ARG  18  12.399  -3.332  -5.827
  137    HD3  ARG  18           1HD      ARG  18  12.667  -3.591  -4.104
  138    HE   ARG  18           HE       ARG  18  14.362  -4.661  -6.265
  139   HH11  ARG  18          1HH1      ARG  18  13.890  -3.713  -2.924
  140   HH12  ARG  18          2HH1      ARG  18  15.569  -3.862  -2.514
  141   HH21  ARG  18          1HH2      ARG  18  16.579  -4.871  -5.722
  142   HH22  ARG  18          2HH2      ARG  18  17.101  -4.526  -4.107
  Start of MODEL   16
    1    H    GLY   1           H        GLY   1  10.479  -4.852   0.420
    2    HA2  GLY   1           2HA      GLY   1  12.153  -4.126   2.317
    3    HA3  GLY   1           1HA      GLY   1  11.689  -2.534   1.726
    4    H    PHE   2           H        PHE   2   8.951  -3.552   1.065
    5    HA   PHE   2           HA       PHE   2   7.709  -4.470   3.433
    6    HB2  PHE   2           2HB      PHE   2   8.370  -2.077   4.056
    7    HB3  PHE   2           1HB      PHE   2   7.189  -1.548   2.861
    8    HD1  PHE   2           HD2      PHE   2   7.506  -3.684   5.892
    9    HD2  PHE   2           HD1      PHE   2   4.990  -1.233   3.490
   10    HE1  PHE   2           HE2      PHE   2   5.728  -3.859   7.583
   11    HE2  PHE   2           HE1      PHE   2   3.207  -1.403   5.177
   12    HZ   PHE   2           HZ       PHE   2   3.574  -2.720   7.226
   13    H    CYS   3           H        CYS   3   5.504  -5.023   2.972
   14    HA   CYS   3           HA       CYS   3   4.571  -4.202   0.308
   15    HB2  CYS   3           2HB      CYS   3   4.485  -6.910   1.624
   16    HB3  CYS   3           1HB      CYS   3   3.384  -6.486   0.315
   17    H    ARG   4           H        ARG   4   2.769  -3.086   0.355
   18    HA   ARG   4           HA       ARG   4   1.110  -3.147   2.764
   19    HB2  ARG   4           2HB      ARG   4   1.399  -1.223   0.474
   20    HB3  ARG   4           1HB      ARG   4  -0.009  -1.161   1.524
   21    HG2  ARG   4           2HG      ARG   4   1.138  -0.259   3.230
   22    HG3  ARG   4           1HG      ARG   4   2.582  -1.221   2.907
   23    HD2  ARG   4           2HD      ARG   4   2.209   0.580   0.742
   24    HD3  ARG   4           1HD      ARG   4   2.073   1.492   2.244
   25    HE   ARG   4           HE       ARG   4   4.289   0.914   2.776
   26   HH11  ARG   4          1HH1      ARG   4   3.302  -0.309  -0.350
   27   HH12  ARG   4          2HH1      ARG   4   4.922  -0.648  -0.875
   28   HH21  ARG   4          1HH2      ARG   4   6.436   0.477   2.072
   29   HH22  ARG   4          2HH2      ARG   4   6.691  -0.197   0.493
   30    H    CYS   5           H        CYS   5   0.393  -5.338   2.063
   31    HA   CYS   5           HA       CYS   5  -1.677  -5.204  -0.019
   32    HB2  CYS   5           2HB      CYS   5  -0.756  -7.797   1.146
   33    HB3  CYS   5           1HB      CYS   5  -1.318  -7.439  -0.485
   34    H    LEU   6           H        LEU   6  -2.319  -4.036   2.355
   35    HA   LEU   6           HA       LEU   6  -3.834  -5.966   3.925
   36    HB2  LEU   6           2HB      LEU   6  -2.869  -3.208   4.300
   37    HB3  LEU   6           1HB      LEU   6  -4.447  -3.539   4.991
   38    HG   LEU   6           HG       LEU   6  -2.084  -5.301   5.578
   39   HD11  LEU   6          1HD1      LEU   6  -2.929  -2.832   7.087
   40   HD12  LEU   6          2HD1      LEU   6  -1.436  -3.028   6.167
   41   HD13  LEU   6          3HD1      LEU   6  -1.716  -4.000   7.612
   42   HD21  LEU   6          1HD2      LEU   6  -3.936  -4.963   7.714
   43   HD22  LEU   6          2HD2      LEU   6  -3.559  -6.422   6.798
   44   HD23  LEU   6          3HD2      LEU   6  -4.834  -5.338   6.242
   45    H    CYS   7           H        CYS   7  -4.308  -4.276   1.158
   46    HA   CYS   7           HA       CYS   7  -6.106  -3.856  -0.148
   47    HB2  CYS   7           2HB      CYS   7  -7.255  -5.641   1.927
   48    HB3  CYS   7           1HB      CYS   7  -8.408  -4.694   0.982
   49    H    ARG   8           H        ARG   8  -7.827  -2.341  -0.442
   50    HA   ARG   8           HA       ARG   8  -8.215  -0.537   1.843
   51    HB2  ARG   8           2HB      ARG   8  -6.900   0.007  -0.615
   52    HB3  ARG   8           1HB      ARG   8  -8.413   0.898  -0.637
   53    HG2  ARG   8           2HG      ARG   8  -6.692   2.295   0.269
   54    HG3  ARG   8           1HG      ARG   8  -7.815   1.871   1.563
   55    HD2  ARG   8           2HD      ARG   8  -6.090  -0.118   1.894
   56    HD3  ARG   8           1HD      ARG   8  -4.994   1.037   1.137
   57    HE   ARG   8           HE       ARG   8  -5.539   2.579   2.956
   58   HH11  ARG   8          1HH1      ARG   8  -6.279  -0.821   3.426
   59   HH12  ARG   8          2HH1      ARG   8  -6.233  -0.715   5.158
   60   HH21  ARG   8          1HH2      ARG   8  -5.482   2.711   5.245
   61   HH22  ARG   8          2HH2      ARG   8  -5.781   1.292   6.191
   62    H    ARG   9           H        ARG   9 -10.252   0.454   2.012
   63    HA   ARG   9           HA       ARG   9 -12.418  -1.140   1.246
   64    HB2  ARG   9           2HB      ARG   9 -12.065   0.776   3.099
   65    HB3  ARG   9           1HB      ARG   9 -12.954   1.701   1.895
   66    HG2  ARG   9           2HG      ARG   9 -14.685   0.912   3.141
   67    HG3  ARG   9           1HG      ARG   9 -14.551  -0.393   1.961
   68    HD2  ARG   9           2HD      ARG   9 -13.546  -1.830   3.476
   69    HD3  ARG   9           1HD      ARG   9 -13.002  -0.514   4.515
   70    HE   ARG   9           HE       ARG   9 -15.772  -0.471   4.557
   71   HH11  ARG   9          1HH1      ARG   9 -13.217  -2.677   5.478
   72   HH12  ARG   9          2HH1      ARG   9 -14.128  -3.408   6.757
   73   HH21  ARG   9          1HH2      ARG   9 -16.987  -1.433   6.248
   74   HH22  ARG   9          2HH2      ARG   9 -16.279  -2.699   7.195
   75    H    GLY  10           H        GLY  10 -12.065  -1.334  -1.037
   76    HA2  GLY  10           2HA      GLY  10 -13.763  -0.528  -2.791
   77    HA3  GLY  10           1HA      GLY  10 -12.920   1.005  -2.617
   78    H    VAL  11           H        VAL  11 -10.360  -0.609  -2.186
   79    HA   VAL  11           HA       VAL  11  -9.946  -1.654  -4.885
   80    HB   VAL  11           HB       VAL  11  -7.587  -0.392  -4.628
   81   HG11  VAL  11          1HG1      VAL  11  -9.378   1.486  -5.830
   82   HG12  VAL  11          2HG1      VAL  11  -9.874  -0.156  -6.239
   83   HG13  VAL  11          3HG1      VAL  11  -8.234   0.386  -6.596
   84   HG21  VAL  11          1HG2      VAL  11  -8.902   0.781  -2.566
   85   HG22  VAL  11          2HG2      VAL  11  -9.240   1.914  -3.875
   86   HG23  VAL  11          3HG2      VAL  11  -7.573   1.523  -3.455
   87    H    CYS  12           H        CYS  12  -9.380  -3.688  -4.415
   88    HA   CYS  12           HA       CYS  12  -7.627  -4.191  -2.142
   89    HB2  CYS  12           2HB      CYS  12  -9.686  -5.695  -3.496
   90    HB3  CYS  12           1HB      CYS  12  -8.195  -6.630  -3.416
   91    H    ARG  13           H        ARG  13  -5.728  -3.320  -2.970
   92    HA   ARG  13           HA       ARG  13  -4.427  -5.005  -4.997
   93    HB2  ARG  13           2HB      ARG  13  -4.638  -2.027  -4.860
   94    HB3  ARG  13           1HB      ARG  13  -3.153  -2.728  -5.484
   95    HG2  ARG  13           2HG      ARG  13  -5.936  -3.055  -6.573
   96    HG3  ARG  13           1HG      ARG  13  -4.562  -2.252  -7.334
   97    HD2  ARG  13           2HD      ARG  13  -3.824  -4.927  -6.671
   98    HD3  ARG  13           1HD      ARG  13  -5.353  -4.958  -7.547
   99    HE   ARG  13           HE       ARG  13  -3.035  -3.492  -8.612
  100   HH11  ARG  13          1HH1      ARG  13  -5.486  -5.965  -8.930
  101   HH12  ARG  13          2HH1      ARG  13  -5.153  -6.270 -10.602
  102   HH21  ARG  13          1HH2      ARG  13  -2.582  -3.885 -10.824
  103   HH22  ARG  13          2HH2      ARG  13  -3.493  -5.081 -11.683
  104    H    CYS  14           H        CYS  14  -2.539  -5.835  -4.338
  105    HA   CYS  14           HA       CYS  14  -1.507  -5.053  -1.752
  106    HB2  CYS  14           2HB      CYS  14  -1.452  -7.361  -1.928
  107    HB3  CYS  14           1HB      CYS  14  -1.040  -7.327  -3.638
  108    H    ILE  15           H        ILE  15  -0.262  -3.317  -1.677
  109    HA   ILE  15           HA       ILE  15   1.364  -2.525  -3.938
  110    HB   ILE  15           HB       ILE  15   1.408  -1.204  -1.235
  111   HG12  ILE  15          2HG1      ILE  15  -0.507  -0.302  -3.345
  112   HG13  ILE  15          1HG1      ILE  15  -0.964  -1.663  -2.326
  113   HG21  ILE  15          1HG2      ILE  15   2.238  -0.534  -3.985
  114   HG22  ILE  15          2HG2      ILE  15   2.931  -0.048  -2.438
  115   HG23  ILE  15          3HG2      ILE  15   1.496   0.771  -3.057
  116   HD11  ILE  15          1HD1      ILE  15  -0.051   0.954  -1.183
  117   HD12  ILE  15          2HD1      ILE  15  -0.921  -0.353  -0.382
  118   HD13  ILE  15          3HD1      ILE  15  -1.734   0.633  -1.598
  119    H    CYS  16           H        CYS  16   2.695  -4.521  -3.831
  120    HA   CYS  16           HA       CYS  16   4.461  -4.871  -1.594
  121    HB2  CYS  16           2HB      CYS  16   3.671  -6.390  -3.890
  122    HB3  CYS  16           1HB      CYS  16   5.429  -6.295  -3.847
  123    H    THR  17           H        THR  17   6.559  -4.313  -1.407
  124    HA   THR  17           HA       THR  17   7.996  -3.129  -3.642
  125    HB   THR  17           HB       THR  17   8.550  -1.332  -1.565
  126    HG1  THR  17           HG1      THR  17   6.398  -2.309  -0.782
  127   HG21  THR  17          1HG2      THR  17   6.717  -0.010  -3.156
  128   HG22  THR  17          2HG2      THR  17   7.327  -1.281  -4.213
  129   HG23  THR  17          3HG2      THR  17   8.447  -0.141  -3.466
  130    H    ARG  18           H        ARG  18  10.268  -3.325  -3.367
  131    HA   ARG  18           HA       ARG  18  11.176  -5.379  -1.697
  132    HB2  ARG  18           2HB      ARG  18  12.191  -3.981  -3.836
  133    HB3  ARG  18           1HB      ARG  18  13.231  -3.454  -2.520
  134    HG2  ARG  18           2HG      ARG  18  12.712  -6.367  -2.924
  135    HG3  ARG  18           1HG      ARG  18  13.879  -5.526  -3.942
  136    HD2  ARG  18           2HD      ARG  18  13.920  -5.699  -0.930
  137    HD3  ARG  18           1HD      ARG  18  14.998  -6.541  -2.043
  138    HE   ARG  18           HE       ARG  18  15.699  -4.195  -2.727
  139   HH11  ARG  18          1HH1      ARG  18  14.622  -5.018   0.496
  140   HH12  ARG  18          2HH1      ARG  18  15.493  -3.733   1.261
  141   HH21  ARG  18          1HH2      ARG  18  16.867  -2.496  -1.723
  142   HH22  ARG  18          2HH2      ARG  18  16.776  -2.296  -0.005
  Start of MODEL   17
    1    H    GLY   1           H        GLY   1   9.688  -2.219  -0.346
    2    HA2  GLY   1           2HA      GLY   1  11.563  -1.365   1.440
    3    HA3  GLY   1           1HA      GLY   1  10.352  -0.086   1.442
    4    H    PHE   2           H        PHE   2   8.120  -1.976   0.863
    5    HA   PHE   2           HA       PHE   2   8.049  -3.956   2.886
    6    HB2  PHE   2           2HB      PHE   2   7.889  -1.670   4.153
    7    HB3  PHE   2           1HB      PHE   2   6.240  -1.643   3.539
    8    HD1  PHE   2           HD2      PHE   2   8.543  -4.067   5.207
    9    HD2  PHE   2           HD1      PHE   2   4.624  -2.427   4.954
   10    HE1  PHE   2           HE2      PHE   2   7.830  -5.493   7.081
   11    HE2  PHE   2           HE1      PHE   2   3.904  -3.849   6.828
   12    HZ   PHE   2           HZ       PHE   2   5.508  -5.385   7.894
   13    H    CYS   3           H        CYS   3   5.919  -5.042   2.932
   14    HA   CYS   3           HA       CYS   3   4.337  -4.349   0.558
   15    HB2  CYS   3           2HB      CYS   3   4.934  -7.056   1.756
   16    HB3  CYS   3           1HB      CYS   3   3.708  -6.790   0.520
   17    H    ARG   4           H        ARG   4   2.954  -3.001   1.657
   18    HA   ARG   4           HA       ARG   4   1.341  -4.172   3.800
   19    HB2  ARG   4           2HB      ARG   4   2.174  -1.466   3.082
   20    HB3  ARG   4           1HB      ARG   4   0.451  -1.574   3.415
   21    HG2  ARG   4           2HG      ARG   4   2.721  -2.305   5.247
   22    HG3  ARG   4           1HG      ARG   4   1.551  -0.998   5.441
   23    HD2  ARG   4           2HD      ARG   4  -0.219  -2.531   5.850
   24    HD3  ARG   4           1HD      ARG   4   0.771  -3.904   5.357
   25    HE   ARG   4           HE       ARG   4   1.273  -2.319   7.796
   26   HH11  ARG   4          1HH1      ARG   4   1.187  -5.366   6.080
   27   HH12  ARG   4          2HH1      ARG   4   1.708  -6.301   7.441
   28   HH21  ARG   4          1HH2      ARG   4   1.968  -3.547   9.605
   29   HH22  ARG   4          2HH2      ARG   4   2.156  -5.262   9.452
   30    H    CYS   5           H        CYS   5   0.353  -5.613   2.222
   31    HA   CYS   5           HA       CYS   5  -1.296  -4.517   0.155
   32    HB2  CYS   5           2HB      CYS   5  -1.098  -7.309   1.295
   33    HB3  CYS   5           1HB      CYS   5  -2.068  -6.874  -0.110
   34    H    LEU   6           H        LEU   6  -2.598  -3.061   1.391
   35    HA   LEU   6           HA       LEU   6  -4.422  -4.154   3.343
   36    HB2  LEU   6           2HB      LEU   6  -5.418  -1.817   3.250
   37    HB3  LEU   6           1HB      LEU   6  -3.772  -1.955   3.835
   38    HG   LEU   6           HG       LEU   6  -3.761  -1.476   0.995
   39   HD11  LEU   6          1HD1      LEU   6  -4.606   0.953   1.342
   40   HD12  LEU   6          2HD1      LEU   6  -5.525   0.256   2.675
   41   HD13  LEU   6          3HD1      LEU   6  -5.770  -0.334   1.031
   42   HD21  LEU   6          1HD2      LEU   6  -2.670   0.713   2.103
   43   HD22  LEU   6          2HD2      LEU   6  -1.818  -0.824   1.946
   44   HD23  LEU   6          3HD2      LEU   6  -2.584  -0.392   3.475
   45    H    CYS   7           H        CYS   7  -5.921  -5.481   2.557
   46    HA   CYS   7           HA       CYS   7  -7.146  -4.915  -0.011
   47    HB2  CYS   7           2HB      CYS   7  -7.019  -7.276   1.788
   48    HB3  CYS   7           1HB      CYS   7  -8.426  -7.119   0.739
   49    H    ARG   8           H        ARG   8  -8.788  -3.646  -0.130
   50    HA   ARG   8           HA       ARG   8 -10.639  -3.357   2.117
   51    HB2  ARG   8           2HB      ARG   8  -9.448  -1.521   0.359
   52    HB3  ARG   8           1HB      ARG   8 -11.120  -1.602  -0.164
   53    HG2  ARG   8           2HG      ARG   8 -11.900  -0.627   1.736
   54    HG3  ARG   8           1HG      ARG   8 -10.612  -1.295   2.740
   55    HD2  ARG   8           2HD      ARG   8  -9.029   0.291   1.800
   56    HD3  ARG   8           1HD      ARG   8 -10.276   0.925   0.727
   57    HE   ARG   8           HE       ARG   8 -11.451   1.658   2.786
   58   HH11  ARG   8          1HH1      ARG   8  -8.000   1.101   2.853
   59   HH12  ARG   8          2HH1      ARG   8  -7.717   2.169   4.186
   60   HH21  ARG   8          1HH2      ARG   8 -11.089   3.079   4.551
   61   HH22  ARG   8          2HH2      ARG   8  -9.481   3.298   5.155
   62    H    ARG   9           H        ARG   9 -12.955  -3.524   1.715
   63    HA   ARG   9           HA       ARG   9 -13.589  -5.751   0.106
   64    HB2  ARG   9           2HB      ARG   9 -14.916  -4.133   2.063
   65    HB3  ARG   9           1HB      ARG   9 -15.977  -4.329   0.676
   66    HG2  ARG   9           2HG      ARG   9 -16.146  -6.039   2.561
   67    HG3  ARG   9           1HG      ARG   9 -16.052  -6.648   0.907
   68    HD2  ARG   9           2HD      ARG   9 -14.570  -8.005   2.102
   69    HD3  ARG   9           1HD      ARG   9 -13.530  -6.823   1.312
   70    HE   ARG   9           HE       ARG   9 -14.376  -6.470   4.112
   71   HH11  ARG   9          1HH1      ARG   9 -11.851  -6.806   1.713
   72   HH12  ARG   9          2HH1      ARG   9 -10.572  -6.354   2.796
   73   HH21  ARG   9          1HH2      ARG   9 -12.687  -5.898   5.562
   74   HH22  ARG   9          2HH2      ARG   9 -11.050  -5.857   4.993
   75    H    GLY  10           H        GLY  10 -12.749  -5.084  -1.926
   76    HA2  GLY  10           2HA      GLY  10 -14.190  -4.751  -4.027
   77    HA3  GLY  10           1HA      GLY  10 -14.400  -3.128  -3.385
   78    H    VAL  11           H        VAL  11 -11.517  -3.330  -2.341
   79    HA   VAL  11           HA       VAL  11 -10.030  -3.233  -4.852
   80    HB   VAL  11           HB       VAL  11  -8.929  -1.049  -3.776
   81   HG11  VAL  11          1HG1      VAL  11 -11.218  -0.132  -5.223
   82   HG12  VAL  11          2HG1      VAL  11 -10.618  -1.625  -5.943
   83   HG13  VAL  11          3HG1      VAL  11  -9.538  -0.245  -5.745
   84   HG21  VAL  11          1HG2      VAL  11 -11.689  -0.196  -3.278
   85   HG22  VAL  11          2HG2      VAL  11 -10.203   0.201  -2.417
   86   HG23  VAL  11          3HG2      VAL  11 -11.040  -1.312  -2.077
   87    H    CYS  12           H        CYS  12  -8.329  -4.496  -4.539
   88    HA   CYS  12           HA       CYS  12  -7.191  -4.732  -1.851
   89    HB2  CYS  12           2HB      CYS  12  -7.315  -6.493  -4.233
   90    HB3  CYS  12           1HB      CYS  12  -5.842  -6.585  -3.275
   91    H    ARG  13           H        ARG  13  -5.575  -3.377  -1.414
   92    HA   ARG  13           HA       ARG  13  -3.934  -2.330  -3.577
   93    HB2  ARG  13           2HB      ARG  13  -4.027  -1.680  -0.628
   94    HB3  ARG  13           1HB      ARG  13  -2.966  -0.886  -1.784
   95    HG2  ARG  13           2HG      ARG  13  -5.779  -0.879  -2.568
   96    HG3  ARG  13           1HG      ARG  13  -5.448  -0.024  -1.061
   97    HD2  ARG  13           2HD      ARG  13  -4.392   1.647  -2.111
   98    HD3  ARG  13           1HD      ARG  13  -3.513   0.544  -3.169
   99    HE   ARG  13           HE       ARG  13  -6.333   1.172  -3.705
  100   HH11  ARG  13          1HH1      ARG  13  -2.976   1.236  -4.662
  101   HH12  ARG  13          2HH1      ARG  13  -3.307   1.711  -6.295
  102   HH21  ARG  13          1HH2      ARG  13  -6.792   1.805  -5.865
  103   HH22  ARG  13          2HH2      ARG  13  -5.488   2.039  -6.981
  104    H    CYS  14           H        CYS  14  -3.054  -4.554  -3.924
  105    HA   CYS  14           HA       CYS  14  -0.776  -5.038  -2.120
  106    HB2  CYS  14           2HB      CYS  14  -2.617  -6.826  -2.235
  107    HB3  CYS  14           1HB      CYS  14  -2.033  -7.152  -3.864
  108    H    ILE  15           H        ILE  15   0.689  -3.783  -3.239
  109    HA   ILE  15           HA       ILE  15   1.367  -4.759  -5.933
  110    HB   ILE  15           HB       ILE  15   2.308  -2.366  -6.263
  111   HG12  ILE  15          2HG1      ILE  15   0.204  -1.075  -4.869
  112   HG13  ILE  15          1HG1      ILE  15   1.035  -2.103  -3.705
  113   HG21  ILE  15          1HG2      ILE  15   0.435  -3.389  -7.508
  114   HG22  ILE  15          2HG2      ILE  15   0.243  -1.651  -7.275
  115   HG23  ILE  15          3HG2      ILE  15  -0.676  -2.782  -6.281
  116   HD11  ILE  15          1HD1      ILE  15   3.109  -1.018  -4.118
  117   HD12  ILE  15          2HD1      ILE  15   1.892   0.233  -3.858
  118   HD13  ILE  15          3HD1      ILE  15   2.440  -0.138  -5.493
  119    H    CYS  16           H        CYS  16   2.409  -4.132  -2.768
  120    HA   CYS  16           HA       CYS  16   4.372  -4.394  -1.672
  121    HB2  CYS  16           2HB      CYS  16   4.775  -5.973  -4.149
  122    HB3  CYS  16           1HB      CYS  16   6.231  -5.555  -3.252
  123    H    THR  17           H        THR  17   5.094  -2.373  -1.285
  124    HA   THR  17           HA       THR  17   6.281  -0.763  -3.367
  125    HB   THR  17           HB       THR  17   6.722   0.407  -0.820
  126    HG1  THR  17           HG1      THR  17   4.576   0.224   0.059
  127   HG21  THR  17          1HG2      THR  17   5.102   0.892  -3.210
  128   HG22  THR  17          2HG2      THR  17   5.967   2.039  -2.183
  129   HG23  THR  17          3HG2      THR  17   4.353   1.496  -1.733
  130    H    ARG  18           H        ARG  18   8.532  -0.114  -3.377
  131    HA   ARG  18           HA       ARG  18  10.327  -2.152  -2.590
  132    HB2  ARG  18           2HB      ARG  18  10.939   0.677  -3.471
  133    HB3  ARG  18           1HB      ARG  18  12.077  -0.663  -3.435
  134    HG2  ARG  18           2HG      ARG  18   9.627  -0.458  -5.175
  135    HG3  ARG  18           1HG      ARG  18  11.301  -0.255  -5.694
  136    HD2  ARG  18           2HD      ARG  18  11.178  -2.436  -6.218
  137    HD3  ARG  18           1HD      ARG  18  11.404  -2.692  -4.488
  138    HE   ARG  18           HE       ARG  18   8.649  -2.360  -5.189
  139   HH11  ARG  18          1HH1      ARG  18  11.268  -4.675  -5.099
  140   HH12  ARG  18          2HH1      ARG  18  10.224  -6.051  -4.975
  141   HH21  ARG  18          1HH2      ARG  18   7.254  -4.162  -5.020
  142   HH22  ARG  18          2HH2      ARG  18   7.933  -5.759  -4.936
  Start of MODEL   18
    1    H    GLY   1           H        GLY   1  11.367  -4.385  -0.105
    2    HA2  GLY   1           2HA      GLY   1  12.921  -3.616   1.788
    3    HA3  GLY   1           1HA      GLY   1  12.487  -2.010   1.222
    4    H    PHE   2           H        PHE   2   9.698  -3.003   0.578
    5    HA   PHE   2           HA       PHE   2   8.588  -3.775   3.109
    6    HB2  PHE   2           2HB      PHE   2   9.019  -1.377   3.506
    7    HB3  PHE   2           1HB      PHE   2   8.045  -0.973   2.098
    8    HD1  PHE   2           HD2      PHE   2   7.782  -2.872   5.299
    9    HD2  PHE   2           HD1      PHE   2   5.847  -0.399   2.426
   10    HE1  PHE   2           HE2      PHE   2   5.770  -2.808   6.714
   11    HE2  PHE   2           HE1      PHE   2   3.833  -0.330   3.837
   12    HZ   PHE   2           HZ       PHE   2   3.792  -1.535   5.984
   13    H    CYS   3           H        CYS   3   6.478  -4.595   2.864
   14    HA   CYS   3           HA       CYS   3   5.142  -4.146   0.293
   15    HB2  CYS   3           2HB      CYS   3   5.826  -6.773   1.601
   16    HB3  CYS   3           1HB      CYS   3   4.428  -6.640   0.539
   17    H    ARG   4           H        ARG   4   2.857  -4.124   0.423
   18    HA   ARG   4           HA       ARG   4   1.649  -4.659   3.021
   19    HB2  ARG   4           2HB      ARG   4   2.432  -2.273   3.037
   20    HB3  ARG   4           1HB      ARG   4   1.335  -1.960   1.701
   21    HG2  ARG   4           2HG      ARG   4  -0.337  -1.637   3.110
   22    HG3  ARG   4           1HG      ARG   4  -0.109  -3.247   3.796
   23    HD2  ARG   4           2HD      ARG   4   1.872  -1.267   4.662
   24    HD3  ARG   4           1HD      ARG   4   0.218  -0.901   5.150
   25    HE   ARG   4           HE       ARG   4   1.810  -3.223   5.954
   26   HH11  ARG   4          1HH1      ARG   4  -1.171  -1.403   6.162
   27   HH12  ARG   4          2HH1      ARG   4  -1.731  -2.224   7.581
   28   HH21  ARG   4          1HH2      ARG   4   1.078  -4.319   7.832
   29   HH22  ARG   4          2HH2      ARG   4  -0.447  -3.889   8.533
   30    H    CYS   5           H        CYS   5  -0.201  -5.681   2.738
   31    HA   CYS   5           HA       CYS   5  -1.520  -5.516   0.130
   32    HB2  CYS   5           2HB      CYS   5  -1.067  -7.652   2.022
   33    HB3  CYS   5           1HB      CYS   5  -2.790  -7.476   1.701
   34    H    LEU   6           H        LEU   6  -2.560  -3.530   0.448
   35    HA   LEU   6           HA       LEU   6  -4.320  -3.166   2.708
   36    HB2  LEU   6           2HB      LEU   6  -3.915  -1.497   0.223
   37    HB3  LEU   6           1HB      LEU   6  -4.890  -1.026   1.602
   38    HG   LEU   6           HG       LEU   6  -2.262  -1.700   2.516
   39   HD11  LEU   6          1HD1      LEU   6  -2.032  -0.903  -0.052
   40   HD12  LEU   6          2HD1      LEU   6  -0.821  -0.590   1.192
   41   HD13  LEU   6          3HD1      LEU   6  -1.997   0.655   0.774
   42   HD21  LEU   6          1HD2      LEU   6  -4.279   0.120   3.050
   43   HD22  LEU   6          2HD2      LEU   6  -2.938   1.116   2.485
   44   HD23  LEU   6          3HD2      LEU   6  -2.710   0.024   3.851
   45    H    CYS   7           H        CYS   7  -5.491  -5.197   2.130
   46    HA   CYS   7           HA       CYS   7  -7.251  -5.053  -0.149
   47    HB2  CYS   7           2HB      CYS   7  -6.646  -7.082   1.939
   48    HB3  CYS   7           1HB      CYS   7  -8.216  -7.161   1.145
   49    H    ARG   8           H        ARG   8  -9.008  -3.931  -0.155
   50    HA   ARG   8           HA       ARG   8 -10.465  -3.454   2.346
   51    HB2  ARG   8           2HB      ARG   8  -9.566  -1.654   0.451
   52    HB3  ARG   8           1HB      ARG   8 -11.243  -1.877  -0.016
   53    HG2  ARG   8           2HG      ARG   8 -12.043  -0.909   1.897
   54    HG3  ARG   8           1HG      ARG   8 -10.620  -1.347   2.844
   55    HD2  ARG   8           2HD      ARG   8 -10.282   0.906   2.601
   56    HD3  ARG   8           1HD      ARG   8  -9.411   0.297   1.195
   57    HE   ARG   8           HE       ARG   8 -12.205   1.137   0.893
   58   HH11  ARG   8          1HH1      ARG   8  -8.812   1.648   0.228
   59   HH12  ARG   8          2HH1      ARG   8  -9.093   2.793  -1.041
   60   HH21  ARG   8          1HH2      ARG   8 -12.593   2.654  -0.787
   61   HH22  ARG   8          2HH2      ARG   8 -11.252   3.367  -1.620
   62    H    ARG   9           H        ARG   9 -12.811  -3.654   2.277
   63    HA   ARG   9           HA       ARG   9 -13.644  -6.000   0.969
   64    HB2  ARG   9           2HB      ARG   9 -15.384  -3.857   2.205
   65    HB3  ARG   9           1HB      ARG   9 -15.872  -5.504   1.839
   66    HG2  ARG   9           2HG      ARG   9 -14.534  -6.402   3.537
   67    HG3  ARG   9           1HG      ARG   9 -13.606  -4.911   3.709
   68    HD2  ARG   9           2HD      ARG   9 -16.137  -4.043   4.215
   69    HD3  ARG   9           1HD      ARG   9 -16.186  -5.677   4.875
   70    HE   ARG   9           HE       ARG   9 -14.059  -4.933   6.092
   71   HH11  ARG   9          1HH1      ARG   9 -16.735  -2.819   5.313
   72   HH12  ARG   9          2HH1      ARG   9 -16.444  -1.742   6.637
   73   HH21  ARG   9          1HH2      ARG   9 -13.659  -3.514   7.845
   74   HH22  ARG   9          2HH2      ARG   9 -14.687  -2.139   8.084
   75    H    GLY  10           H        GLY  10 -13.064  -5.530  -1.216
   76    HA2  GLY  10           2HA      GLY  10 -14.777  -5.390  -3.135
   77    HA3  GLY  10           1HA      GLY  10 -14.908  -3.712  -2.631
   78    H    VAL  11           H        VAL  11 -11.960  -3.666  -1.981
   79    HA   VAL  11           HA       VAL  11 -10.775  -3.942  -4.638
   80    HB   VAL  11           HB       VAL  11  -9.655  -1.593  -4.088
   81   HG11  VAL  11          1HG1      VAL  11 -10.588  -1.117  -6.037
   82   HG12  VAL  11          2HG1      VAL  11 -12.177  -0.968  -5.287
   83   HG13  VAL  11          3HG1      VAL  11 -11.615  -2.538  -5.858
   84   HG21  VAL  11          1HG2      VAL  11 -11.508  -1.639  -2.075
   85   HG22  VAL  11          2HG2      VAL  11 -12.330  -0.698  -3.320
   86   HG23  VAL  11          3HG2      VAL  11 -10.747  -0.189  -2.730
   87    H    CYS  12           H        CYS  12  -9.007  -5.109  -4.335
   88    HA   CYS  12           HA       CYS  12  -7.589  -4.971  -1.791
   89    HB2  CYS  12           2HB      CYS  12  -7.776  -6.932  -4.005
   90    HB3  CYS  12           1HB      CYS  12  -6.222  -6.835  -3.185
   91    H    ARG  13           H        ARG  13  -6.221  -3.282  -1.695
   92    HA   ARG  13           HA       ARG  13  -4.655  -2.610  -4.070
   93    HB2  ARG  13           2HB      ARG  13  -5.947  -0.952  -2.428
   94    HB3  ARG  13           1HB      ARG  13  -4.418  -1.023  -1.565
   95    HG2  ARG  13           2HG      ARG  13  -4.836   0.818  -3.361
   96    HG3  ARG  13           1HG      ARG  13  -3.261   0.033  -3.240
   97    HD2  ARG  13           2HD      ARG  13  -4.981  -1.474  -4.981
   98    HD3  ARG  13           1HD      ARG  13  -4.931   0.213  -5.496
   99    HE   ARG  13           HE       ARG  13  -2.474  -0.021  -5.546
  100   HH11  ARG  13          1HH1      ARG  13  -4.460  -2.901  -5.728
  101   HH12  ARG  13          2HH1      ARG  13  -3.237  -3.850  -6.506
  102   HH21  ARG  13          1HH2      ARG  13  -0.859  -1.273  -6.583
  103   HH22  ARG  13          2HH2      ARG  13  -1.183  -2.926  -6.983
  104    H    CYS  14           H        CYS  14  -3.581  -4.761  -3.617
  105    HA   CYS  14           HA       CYS  14  -1.636  -4.755  -1.481
  106    HB2  CYS  14           2HB      CYS  14  -2.298  -6.687  -3.700
  107    HB3  CYS  14           1HB      CYS  14  -0.895  -6.913  -2.659
  108    H    ILE  15           H        ILE  15   0.372  -3.995  -1.626
  109    HA   ILE  15           HA       ILE  15   1.532  -3.603  -4.303
  110    HB   ILE  15           HB       ILE  15   2.719  -1.572  -3.128
  111   HG12  ILE  15          2HG1      ILE  15   0.337  -0.751  -1.807
  112   HG13  ILE  15          1HG1      ILE  15   0.783  -2.330  -1.165
  113   HG21  ILE  15          1HG2      ILE  15  -0.067  -1.575  -4.252
  114   HG22  ILE  15          2HG2      ILE  15   1.450  -1.249  -5.090
  115   HG23  ILE  15          3HG2      ILE  15   0.830  -0.095  -3.909
  116   HD11  ILE  15          1HD1      ILE  15   2.428  -1.453   0.027
  117   HD12  ILE  15          2HD1      ILE  15   1.802   0.135  -0.411
  118   HD13  ILE  15          3HD1      ILE  15   3.082  -0.604  -1.373
  119    H    CYS  16           H        CYS  16   3.918  -3.521  -4.299
  120    HA   CYS  16           HA       CYS  16   5.235  -4.506  -1.910
  121    HB2  CYS  16           2HB      CYS  16   4.539  -6.211  -4.144
  122    HB3  CYS  16           1HB      CYS  16   6.286  -6.134  -3.937
  123    H    THR  17           H        THR  17   7.099  -3.521  -1.682
  124    HA   THR  17           HA       THR  17   8.530  -2.536  -4.057
  125    HB   THR  17           HB       THR  17   9.100  -0.721  -1.993
  126    HG1  THR  17           HG1      THR  17   7.143  -1.599  -0.975
  127   HG21  THR  17          1HG2      THR  17   8.923   0.469  -3.890
  128   HG22  THR  17          2HG2      THR  17   7.195   0.544  -3.551
  129   HG23  THR  17          3HG2      THR  17   7.829  -0.707  -4.618
  130    H    ARG  18           H        ARG  18  10.808  -2.695  -3.888
  131    HA   ARG  18           HA       ARG  18  11.850  -4.690  -2.249
  132    HB2  ARG  18           2HB      ARG  18  14.105  -3.401  -2.851
  133    HB3  ARG  18           1HB      ARG  18  13.236  -4.370  -4.031
  134    HG2  ARG  18           2HG      ARG  18  12.889  -2.609  -5.334
  135    HG3  ARG  18           1HG      ARG  18  12.254  -1.657  -3.991
  136    HD2  ARG  18           2HD      ARG  18  15.197  -2.107  -4.429
  137    HD3  ARG  18           1HD      ARG  18  14.323  -0.747  -5.133
  138    HE   ARG  18           HE       ARG  18  14.063  -1.076  -2.256
  139   HH11  ARG  18          1HH1      ARG  18  15.728   0.518  -4.896
  140   HH12  ARG  18          2HH1      ARG  18  16.310   1.821  -3.916
  141   HH21  ARG  18          1HH2      ARG  18  14.827   0.638  -0.958
  142   HH22  ARG  18          2HH2      ARG  18  15.797   1.889  -1.664
  Start of MODEL   19
    1    H    GLY   1           H        GLY   1  10.411  -5.023  -0.988
    2    HA2  GLY   1           2HA      GLY   1  12.260  -4.804   0.806
    3    HA3  GLY   1           1HA      GLY   1  11.711  -3.132   0.845
    4    H    PHE   2           H        PHE   2   8.900  -4.007   0.285
    5    HA   PHE   2           HA       PHE   2   8.020  -5.730   2.338
    6    HB2  PHE   2           2HB      PHE   2   8.830  -3.602   3.602
    7    HB3  PHE   2           1HB      PHE   2   7.365  -2.860   2.968
    8    HD1  PHE   2           HD1      PHE   2   8.463  -5.918   4.796
    9    HD2  PHE   2           HD2      PHE   2   5.445  -2.973   4.226
   10    HE1  PHE   2           HE1      PHE   2   7.177  -6.882   6.658
   11    HE2  PHE   2           HE2      PHE   2   4.152  -3.932   6.088
   12    HZ   PHE   2           HZ       PHE   2   5.019  -5.889   7.307
   13    H    CYS   3           H        CYS   3   5.796  -6.227   1.991
   14    HA   CYS   3           HA       CYS   3   4.510  -4.618  -0.099
   15    HB2  CYS   3           2HB      CYS   3   4.335  -7.549   0.567
   16    HB3  CYS   3           1HB      CYS   3   3.087  -6.754  -0.389
   17    H    ARG   4           H        ARG   4   2.945  -3.357   0.566
   18    HA   ARG   4           HA       ARG   4   1.674  -3.853   3.139
   19    HB2  ARG   4           2HB      ARG   4   1.761  -1.519   1.247
   20    HB3  ARG   4           1HB      ARG   4   0.565  -1.584   2.533
   21    HG2  ARG   4           2HG      ARG   4   2.141  -0.499   3.699
   22    HG3  ARG   4           1HG      ARG   4   2.799  -2.118   3.938
   23    HD2  ARG   4           2HD      ARG   4   4.168  -1.743   1.853
   24    HD3  ARG   4           1HD      ARG   4   3.649  -0.059   1.912
   25    HE   ARG   4           HE       ARG   4   4.688  -0.665   4.408
   26   HH11  ARG   4          1HH1      ARG   4   5.852  -0.509   1.104
   27   HH12  ARG   4          2HH1      ARG   4   7.467  -0.087   1.564
   28   HH21  ARG   4          1HH2      ARG   4   6.826  -0.116   5.012
   29   HH22  ARG   4          2HH2      ARG   4   8.025   0.132   3.787
   30    H    CYS   5           H        CYS   5   0.601  -5.792   2.240
   31    HA   CYS   5           HA       CYS   5  -1.541  -5.325   0.349
   32    HB2  CYS   5           2HB      CYS   5  -1.047  -7.865   1.894
   33    HB3  CYS   5           1HB      CYS   5  -1.885  -7.674   0.358
   34    H    LEU   6           H        LEU   6  -2.173  -3.673   2.241
   35    HA   LEU   6           HA       LEU   6  -3.726  -4.821   4.364
   36    HB2  LEU   6           2HB      LEU   6  -4.310  -2.039   3.625
   37    HB3  LEU   6           1HB      LEU   6  -3.867  -2.718   5.179
   38    HG   LEU   6           HG       LEU   6  -1.681  -2.599   3.205
   39   HD11  LEU   6          1HD1      LEU   6  -1.996  -0.015   4.473
   40   HD12  LEU   6          2HD1      LEU   6  -3.314  -0.372   3.356
   41   HD13  LEU   6          3HD1      LEU   6  -1.643  -0.416   2.791
   42   HD21  LEU   6          1HD2      LEU   6  -1.720  -3.198   5.757
   43   HD22  LEU   6          2HD2      LEU   6  -1.631  -1.447   5.953
   44   HD23  LEU   6          3HD2      LEU   6  -0.369  -2.303   5.063
   45    H    CYS   7           H        CYS   7  -4.438  -3.136   1.345
   46    HA   CYS   7           HA       CYS   7  -6.159  -3.229  -0.107
   47    HB2  CYS   7           2HB      CYS   7  -6.598  -5.703   1.473
   48    HB3  CYS   7           1HB      CYS   7  -7.963  -5.114   0.523
   49    H    ARG   8           H        ARG   8  -8.235  -2.421  -0.407
   50    HA   ARG   8           HA       ARG   8  -9.669  -1.567   2.008
   51    HB2  ARG   8           2HB      ARG   8  -8.140   0.186   0.683
   52    HB3  ARG   8           1HB      ARG   8  -9.566   0.275  -0.337
   53    HG2  ARG   8           2HG      ARG   8 -10.117   0.488   2.532
   54    HG3  ARG   8           1HG      ARG   8  -9.123   1.786   1.874
   55    HD2  ARG   8           2HD      ARG   8 -11.688   0.910   0.572
   56    HD3  ARG   8           1HD      ARG   8 -11.646   2.134   1.840
   57    HE   ARG   8           HE       ARG   8  -9.941   3.230   0.217
   58   HH11  ARG   8          1HH1      ARG   8 -12.858   1.503  -0.690
   59   HH12  ARG   8          2HH1      ARG   8 -13.085   2.400  -2.153
   60   HH21  ARG   8          1HH2      ARG   8 -10.244   4.414  -1.721
   61   HH22  ARG   8          2HH2      ARG   8 -11.597   4.055  -2.741
   62    H    ARG   9           H        ARG   9 -11.942  -1.178   1.664
   63    HA   ARG   9           HA       ARG   9 -13.125  -3.098  -0.032
   64    HB2  ARG   9           2HB      ARG   9 -14.097  -2.176   2.123
   65    HB3  ARG   9           1HB      ARG   9 -14.553  -0.744   1.210
   66    HG2  ARG   9           2HG      ARG   9 -16.483  -2.034   1.228
   67    HG3  ARG   9           1HG      ARG   9 -15.775  -2.364  -0.355
   68    HD2  ARG   9           2HD      ARG   9 -14.604  -4.300   1.121
   69    HD3  ARG   9           1HD      ARG   9 -16.141  -4.138   1.972
   70    HE   ARG   9           HE       ARG   9 -16.902  -4.297  -0.612
   71   HH11  ARG   9          1HH1      ARG   9 -14.814  -6.279   1.376
   72   HH12  ARG   9          2HH1      ARG   9 -15.160  -7.742   0.516
   73   HH21  ARG   9          1HH2      ARG   9 -17.370  -6.229  -1.756
   74   HH22  ARG   9          2HH2      ARG   9 -16.619  -7.713  -1.272
   75    H    GLY  10           H        GLY  10 -12.234  -2.595  -2.050
   76    HA2  GLY  10           2HA      GLY  10 -13.652  -1.690  -4.050
   77    HA3  GLY  10           1HA      GLY  10 -13.178  -0.143  -3.363
   78    H    VAL  11           H        VAL  11 -10.577  -1.582  -2.532
   79    HA   VAL  11           HA       VAL  11  -9.288  -1.873  -5.136
   80    HB   VAL  11           HB       VAL  11  -7.334  -0.462  -3.946
   81   HG11  VAL  11          1HG1      VAL  11  -7.565   0.694  -5.819
   82   HG12  VAL  11          2HG1      VAL  11  -9.043   1.447  -5.219
   83   HG13  VAL  11          3HG1      VAL  11  -9.123  -0.092  -6.077
   84   HG21  VAL  11          1HG2      VAL  11  -9.332   0.033  -2.175
   85   HG22  VAL  11          2HG2      VAL  11  -9.489   1.409  -3.266
   86   HG23  VAL  11          3HG2      VAL  11  -7.955   1.098  -2.456
   87    H    CYS  12           H        CYS  12  -8.519  -3.881  -4.938
   88    HA   CYS  12           HA       CYS  12  -6.882  -4.481  -2.574
   89    HB2  CYS  12           2HB      CYS  12  -9.269  -5.614  -2.797
   90    HB3  CYS  12           1HB      CYS  12  -8.400  -6.693  -3.883
   91    H    ARG  13           H        ARG  13  -4.997  -4.051  -3.700
   92    HA   ARG  13           HA       ARG  13  -4.256  -6.124  -5.635
   93    HB2  ARG  13           2HB      ARG  13  -4.709  -3.460  -6.350
   94    HB3  ARG  13           1HB      ARG  13  -2.960  -3.599  -6.246
   95    HG2  ARG  13           2HG      ARG  13  -4.608  -5.568  -7.795
   96    HG3  ARG  13           1HG      ARG  13  -4.051  -4.051  -8.502
   97    HD2  ARG  13           2HD      ARG  13  -2.072  -5.793  -7.116
   98    HD3  ARG  13           1HD      ARG  13  -2.640  -6.272  -8.714
   99    HE   ARG  13           HE       ARG  13  -1.752  -4.211  -9.580
  100   HH11  ARG  13          1HH1      ARG  13  -0.791  -5.007  -6.305
  101   HH12  ARG  13          2HH1      ARG  13   0.610  -3.986  -6.335
  102   HH21  ARG  13          1HH2      ARG  13   0.110  -2.869  -9.622
  103   HH22  ARG  13          2HH2      ARG  13   1.128  -2.776  -8.224
  104    H    CYS  14           H        CYS  14  -3.610  -4.449  -2.840
  105    HA   CYS  14           HA       CYS  14  -1.950  -4.494  -1.314
  106    HB2  CYS  14           2HB      CYS  14  -1.668  -6.833  -1.580
  107    HB3  CYS  14           1HB      CYS  14  -0.881  -6.639  -3.144
  108    H    ILE  15           H        ILE  15  -0.388  -3.075  -0.892
  109    HA   ILE  15           HA       ILE  15   0.852  -1.691  -3.121
  110    HB   ILE  15           HB       ILE  15   1.364  -1.114  -0.209
  111   HG12  ILE  15          2HG1      ILE  15  -0.823   0.220  -1.788
  112   HG13  ILE  15          1HG1      ILE  15  -1.141  -1.254  -0.878
  113   HG21  ILE  15          1HG2      ILE  15   2.482  -0.059  -2.433
  114   HG22  ILE  15          2HG2      ILE  15   2.299   0.812  -0.910
  115   HG23  ILE  15          3HG2      ILE  15   1.120   1.038  -2.201
  116   HD11  ILE  15          1HD1      ILE  15  -1.770   0.628   0.447
  117   HD12  ILE  15          2HD1      ILE  15  -0.193   1.382   0.213
  118   HD13  ILE  15          3HD1      ILE  15  -0.330  -0.100   1.160
  119    H    CYS  16           H        CYS  16   2.034  -3.720  -3.694
  120    HA   CYS  16           HA       CYS  16   4.122  -4.644  -1.984
  121    HB2  CYS  16           2HB      CYS  16   2.993  -5.377  -4.568
  122    HB3  CYS  16           1HB      CYS  16   4.750  -5.490  -4.561
  123    H    THR  17           H        THR  17   5.938  -3.633  -1.611
  124    HA   THR  17           HA       THR  17   7.147  -2.002  -3.744
  125    HB   THR  17           HB       THR  17   8.070  -0.922  -1.337
  126    HG1  THR  17           HG1      THR  17   6.073  -2.189  -0.542
  127   HG21  THR  17          1HG2      THR  17   6.391  -0.109  -3.580
  128   HG22  THR  17          2HG2      THR  17   7.643   0.792  -2.722
  129   HG23  THR  17          3HG2      THR  17   5.999   0.744  -2.087
  130    H    ARG  18           H        ARG  18   9.414  -2.213  -3.941
  131    HA   ARG  18           HA       ARG  18  10.555  -4.640  -3.168
  132    HB2  ARG  18           2HB      ARG  18  11.569  -2.109  -4.355
  133    HB3  ARG  18           1HB      ARG  18  12.763  -3.197  -3.658
  134    HG2  ARG  18           2HG      ARG  18  12.348  -4.861  -5.205
  135    HG3  ARG  18           1HG      ARG  18  10.735  -4.250  -5.582
  136    HD2  ARG  18           2HD      ARG  18  12.242  -2.146  -6.343
  137    HD3  ARG  18           1HD      ARG  18  13.365  -3.468  -6.660
  138    HE   ARG  18           HE       ARG  18  10.784  -3.012  -7.960
  139   HH11  ARG  18          1HH1      ARG  18  13.695  -4.928  -7.657
  140   HH12  ARG  18          2HH1      ARG  18  13.457  -5.769  -9.152
  141   HH21  ARG  18          1HH2      ARG  18  10.457  -4.120  -9.940
  142   HH22  ARG  18          2HH2      ARG  18  11.610  -5.307 -10.455
  Start of MODEL   20
    1    H    GLY   1           H        GLY   1  10.744  -5.642  -0.410
    2    HA2  GLY   1           2HA      GLY   1  12.475  -5.683   1.557
    3    HA3  GLY   1           1HA      GLY   1  11.979  -3.997   1.672
    4    H    PHE   2           H        PHE   2   9.200  -4.644   0.813
    5    HA   PHE   2           HA       PHE   2   8.052  -6.510   2.595
    6    HB2  PHE   2           2HB      PHE   2   8.856  -4.475   4.081
    7    HB3  PHE   2           1HB      PHE   2   7.395  -3.715   3.457
    8    HD1  PHE   2           HD2      PHE   2   8.593  -6.775   5.191
    9    HD2  PHE   2           HD1      PHE   2   5.352  -4.110   4.478
   10    HE1  PHE   2           HE2      PHE   2   7.267  -7.936   6.908
   11    HE2  PHE   2           HE1      PHE   2   4.018  -5.264   6.194
   12    HZ   PHE   2           HZ       PHE   2   4.976  -7.182   7.412
   13    H    CYS   3           H        CYS   3   5.737  -6.663   2.230
   14    HA   CYS   3           HA       CYS   3   4.824  -4.961   0.017
   15    HB2  CYS   3           2HB      CYS   3   4.076  -7.799   0.737
   16    HB3  CYS   3           1HB      CYS   3   3.243  -6.853  -0.490
   17    H    ARG   4           H        ARG   4   3.408  -3.480   0.581
   18    HA   ARG   4           HA       ARG   4   1.826  -3.839   3.008
   19    HB2  ARG   4           2HB      ARG   4   3.119  -1.699   2.430
   20    HB3  ARG   4           1HB      ARG   4   1.859  -1.398   1.241
   21    HG2  ARG   4           2HG      ARG   4   1.452  -0.191   3.321
   22    HG3  ARG   4           1HG      ARG   4   0.178  -1.369   2.992
   23    HD2  ARG   4           2HD      ARG   4   1.412  -2.956   4.515
   24    HD3  ARG   4           1HD      ARG   4   2.447  -1.601   4.961
   25    HE   ARG   4           HE       ARG   4   0.378  -0.489   5.761
   26   HH11  ARG   4          1HH1      ARG   4   0.475  -3.977   5.476
   27   HH12  ARG   4          2HH1      ARG   4  -0.737  -4.248   6.684
   28   HH21  ARG   4          1HH2      ARG   4  -1.230  -0.835   7.363
   29   HH22  ARG   4          2HH2      ARG   4  -1.710  -2.453   7.760
   30    H    CYS   5           H        CYS   5   0.415  -5.456   2.167
   31    HA   CYS   5           HA       CYS   5  -1.266  -4.780  -0.081
   32    HB2  CYS   5           2HB      CYS   5  -1.562  -7.149   1.764
   33    HB3  CYS   5           1HB      CYS   5  -2.177  -6.977   0.123
   34    H    LEU   6           H        LEU   6  -2.891  -3.415   0.166
   35    HA   LEU   6           HA       LEU   6  -4.325  -3.360   2.726
   36    HB2  LEU   6           2HB      LEU   6  -4.238  -1.366   0.458
   37    HB3  LEU   6           1HB      LEU   6  -5.235  -1.192   1.890
   38    HG   LEU   6           HG       LEU   6  -2.293  -1.543   2.244
   39   HD11  LEU   6          1HD1      LEU   6  -3.406   1.195   1.808
   40   HD12  LEU   6          2HD1      LEU   6  -2.872   0.232   0.429
   41   HD13  LEU   6          3HD1      LEU   6  -1.736   0.631   1.718
   42   HD21  LEU   6          1HD2      LEU   6  -3.852   0.452   3.749
   43   HD22  LEU   6          2HD2      LEU   6  -2.677  -0.739   4.314
   44   HD23  LEU   6          3HD2      LEU   6  -4.339  -1.229   3.982
   45    H    CYS   7           H        CYS   7  -5.855  -4.892   2.612
   46    HA   CYS   7           HA       CYS   7  -7.489  -5.035   0.190
   47    HB2  CYS   7           2HB      CYS   7  -6.699  -7.008   2.258
   48    HB3  CYS   7           1HB      CYS   7  -8.309  -7.182   1.563
   49    H    ARG   8           H        ARG   8  -9.622  -4.798   0.193
   50    HA   ARG   8           HA       ARG   8 -11.024  -4.211   2.697
   51    HB2  ARG   8           2HB      ARG   8 -10.198  -2.222   0.980
   52    HB3  ARG   8           1HB      ARG   8 -11.820  -2.539   0.393
   53    HG2  ARG   8           2HG      ARG   8 -11.337  -0.737   2.246
   54    HG3  ARG   8           1HG      ARG   8 -12.808  -1.704   2.271
   55    HD2  ARG   8           2HD      ARG   8 -11.869  -1.627   4.486
   56    HD3  ARG   8           1HD      ARG   8 -11.708  -3.262   3.850
   57    HE   ARG   8           HE       ARG   8  -9.393  -2.971   3.696
   58   HH11  ARG   8          1HH1      ARG   8 -10.977  -0.088   4.915
   59   HH12  ARG   8          2HH1      ARG   8  -9.511   0.632   5.490
   60   HH21  ARG   8          1HH2      ARG   8  -7.461  -2.024   4.452
   61   HH22  ARG   8          2HH2      ARG   8  -7.502  -0.474   5.223
   62    H    ARG   9           H        ARG   9 -13.387  -4.548   2.489
   63    HA   ARG   9           HA       ARG   9 -13.924  -6.882   0.993
   64    HB2  ARG   9           2HB      ARG   9 -15.600  -5.055   2.673
   65    HB3  ARG   9           1HB      ARG   9 -16.374  -6.290   1.689
   66    HG2  ARG   9           2HG      ARG   9 -14.154  -6.963   3.587
   67    HG3  ARG   9           1HG      ARG   9 -15.832  -6.855   4.119
   68    HD2  ARG   9           2HD      ARG   9 -15.634  -9.104   3.625
   69    HD3  ARG   9           1HD      ARG   9 -16.291  -8.459   2.122
   70    HE   ARG   9           HE       ARG   9 -14.266  -8.864   1.070
   71   HH11  ARG   9          1HH1      ARG   9 -14.022  -9.571   4.491
   72   HH12  ARG   9          2HH1      ARG   9 -12.504 -10.392   4.348
   73   HH21  ARG   9          1HH2      ARG   9 -12.256  -9.947   0.872
   74   HH22  ARG   9          2HH2      ARG   9 -11.495 -10.605   2.283
   75    H    GLY  10           H        GLY  10 -13.337  -6.194  -1.116
   76    HA2  GLY  10           2HA      GLY  10 -15.068  -6.071  -3.048
   77    HA3  GLY  10           1HA      GLY  10 -15.253  -4.421  -2.469
   78    H    VAL  11           H        VAL  11 -12.314  -4.355  -1.774
   79    HA   VAL  11           HA       VAL  11 -11.103  -4.419  -4.437
   80    HB   VAL  11           HB       VAL  11 -10.000  -2.124  -3.666
   81   HG11  VAL  11          1HG1      VAL  11 -12.537  -1.417  -4.800
   82   HG12  VAL  11          2HG1      VAL  11 -11.934  -2.905  -5.529
   83   HG13  VAL  11          3HG1      VAL  11 -10.942  -1.448  -5.551
   84   HG21  VAL  11          1HG2      VAL  11 -11.100  -0.862  -2.181
   85   HG22  VAL  11          2HG2      VAL  11 -11.846  -2.374  -1.663
   86   HG23  VAL  11          3HG2      VAL  11 -12.679  -1.325  -2.812
   87    H    CYS  12           H        CYS  12  -9.065  -5.169  -4.384
   88    HA   CYS  12           HA       CYS  12  -7.655  -5.144  -1.798
   89    HB2  CYS  12           2HB      CYS  12  -8.215  -7.381  -3.656
   90    HB3  CYS  12           1HB      CYS  12  -6.579  -7.315  -3.010
   91    H    ARG  13           H        ARG  13  -6.049  -3.699  -2.011
   92    HA   ARG  13           HA       ARG  13  -4.462  -3.794  -4.494
   93    HB2  ARG  13           2HB      ARG  13  -5.976  -1.698  -3.917
   94    HB3  ARG  13           1HB      ARG  13  -4.612  -1.281  -2.891
   95    HG2  ARG  13           2HG      ARG  13  -3.830  -2.065  -5.587
   96    HG3  ARG  13           1HG      ARG  13  -4.875  -0.643  -5.538
   97    HD2  ARG  13           2HD      ARG  13  -3.015   0.519  -5.120
   98    HD3  ARG  13           1HD      ARG  13  -3.095  -0.168  -3.497
   99    HE   ARG  13           HE       ARG  13  -1.580  -1.930  -4.300
  100   HH11  ARG  13          1HH1      ARG  13  -1.767   1.051  -6.118
  101   HH12  ARG  13          2HH1      ARG  13  -0.204   0.865  -6.843
  102   HH21  ARG  13          1HH2      ARG  13   0.474  -2.204  -5.249
  103   HH22  ARG  13          2HH2      ARG  13   1.083  -0.997  -6.345
  104    H    CYS  14           H        CYS  14  -2.626  -4.813  -3.961
  105    HA   CYS  14           HA       CYS  14  -1.394  -4.204  -1.374
  106    HB2  CYS  14           2HB      CYS  14  -1.686  -6.580  -1.812
  107    HB3  CYS  14           1HB      CYS  14  -0.821  -6.431  -3.341
  108    H    ILE  15           H        ILE  15   0.590  -3.304  -1.188
  109    HA   ILE  15           HA       ILE  15   1.805  -2.302  -3.675
  110    HB   ILE  15           HB       ILE  15   2.299  -1.163  -0.931
  111   HG12  ILE  15          2HG1      ILE  15   0.407   0.169  -2.820
  112   HG13  ILE  15          1HG1      ILE  15  -0.194  -1.183  -1.864
  113   HG21  ILE  15          1HG2      ILE  15   2.633  -0.075  -3.724
  114   HG22  ILE  15          2HG2      ILE  15   3.918  -0.564  -2.618
  115   HG23  ILE  15          3HG2      ILE  15   2.917   0.839  -2.243
  116   HD11  ILE  15          1HD1      ILE  15   0.960   0.209   0.085
  117   HD12  ILE  15          2HD1      ILE  15  -0.698   0.496  -0.441
  118   HD13  ILE  15          3HD1      ILE  15   0.604   1.533  -1.024
  119    H    CYS  16           H        CYS  16   3.109  -4.210  -4.011
  120    HA   CYS  16           HA       CYS  16   4.833  -5.152  -1.926
  121    HB2  CYS  16           2HB      CYS  16   4.128  -5.961  -4.657
  122    HB3  CYS  16           1HB      CYS  16   5.814  -6.253  -4.243
  123    H    THR  17           H        THR  17   6.405  -3.860  -1.284
  124    HA   THR  17           HA       THR  17   8.009  -2.420  -3.282
  125    HB   THR  17           HB       THR  17   8.738  -1.547  -0.706
  126    HG1  THR  17           HG1      THR  17   6.830  -2.597   0.085
  127   HG21  THR  17          1HG2      THR  17   7.411  -0.482  -3.076
  128   HG22  THR  17          2HG2      THR  17   8.586   0.281  -2.003
  129   HG23  THR  17          3HG2      THR  17   6.873   0.294  -1.588
  130    H    ARG  18           H        ARG  18  10.307  -2.687  -3.242
  131    HA   ARG  18           HA       ARG  18  11.266  -5.222  -2.560
  132    HB2  ARG  18           2HB      ARG  18  12.509  -2.652  -3.414
  133    HB3  ARG  18           1HB      ARG  18  13.567  -3.881  -2.736
  134    HG2  ARG  18           2HG      ARG  18  12.536  -5.473  -4.434
  135    HG3  ARG  18           1HG      ARG  18  11.876  -4.031  -5.208
  136    HD2  ARG  18           2HD      ARG  18  14.798  -4.548  -4.659
  137    HD3  ARG  18           1HD      ARG  18  14.001  -4.739  -6.220
  138    HE   ARG  18           HE       ARG  18  14.639  -2.226  -4.868
  139   HH11  ARG  18          1HH1      ARG  18  13.213  -3.869  -7.610
  140   HH12  ARG  18          2HH1      ARG  18  13.185  -2.457  -8.613
  141   HH21  ARG  18          1HH2      ARG  18  14.605  -0.349  -6.186
  142   HH22  ARG  18          2HH2      ARG  18  13.980  -0.447  -7.800