*HEADER    ANTIMICROBIAL PROTEIN                   06-APR-06   2GMD              
*TITLE     STRUCTURE OF C12-LF11 BOUND TO THE SDS MICELLES                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LACTOFERRIN-BASED SYNTHETIC PEPTIDE C12-LF11;              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*KEYWDS    PEPTIDE                                                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    B.JAPELJ                                                              
*REVDAT   1   13-FEB-07 2GMD    0                                                


!BIOSYM restraint 1
!
!c12lf11_mod.rstrnt: 111 restraints [created by nmr2s ((C) PP)] Wed Jul 10 15:58:45 2002
!
!
#NOE_distance
1:PHM_1:HN         1:PHM_1:HB1         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:PHM_1:HB2         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:PHM_1:H11         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:PHM_1:H12         1.900  2.500  2.500 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:PHM_1:H2*         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:PHM_1:H31         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:PHM_1:H3*         1.900  4.220  4.220 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:PHM_1:H32         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:HN         1:GLN_2:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:PHM_1:HA         1:PHM_1:HE*         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:PHM_1:HA         1:TRP_3:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:HB1        1:GLN_2:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:PHM_1:HB*        1:TRP_3:HN          1.900  5.870  5.870 10.00 10.00 1000.000  0.00
1:PHM_1:HB2        1:GLN_2:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:PHM_1:HD*        1:PHM_1:H2*         1.900  7.000  7.000 10.00 10.00 1000.000  0.00
1:PHM_1:HD*        1:PHM_1:H31         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:PHM_1:HD*        1:PHM_1:H32         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:PHM_1:HE*        1:GLN_2:HN          1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:PHM_1:H11        1:PHM_1:H31         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:PHM_1:H11        1:GLN_2:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:PHM_1:H12        1:PHM_1:H31         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:PHM_1:H12        1:PHM_1:H3*         1.900  2.910  2.910 10.00 10.00 1000.000  0.00
1:PHM_1:H12        1:PHM_1:H32         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:PHM_1:H2*        1:TRP_3:HE3         1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:PHM_1:H3*        1:TRP_3:HH2         1.900  6.880  6.880 10.00 10.00 1000.000  0.00
1:GLN_2:HN         1:GLN_2:HB*         1.900  3.770  3.770 10.00 10.00 1000.000  0.00
1:GLN_2:HN         1:GLN_2:HG*         1.900  4.500  4.500 10.00 10.00 1000.000  0.00
1:GLN_2:HN         1:TRP_3:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:GLN_2:HA         1:TRP_3:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:GLN_2:HB*        1:TRP_3:HE3         1.900  4.380  4.380 10.00 10.00 1000.000  0.00
1:GLN_2:HG*        1:TRP_3:HN          1.900  4.500  4.500 10.00 10.00 1000.000  0.00
1:TRP_3:HN         1:TRP_3:HB2         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:TRP_3:HN         1:TRP_3:HD1         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HA         1:TRP_3:HB1         1.900  2.500  2.500 10.00 10.00 1000.000  0.00
1:TRP_3:HA         1:TRP_3:HB2         1.900  2.500  2.500 10.00 10.00 1000.000  0.00
1:TRP_3:HB1        1:GLN_4:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:TRP_3:HB*        1:ARG+_5:HN         1.900  5.880  5.880 10.00 10.00 1000.000  0.00
1:TRP_3:HB2        1:GLN_4:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:TRP_3:HD1        1:ILE_7:HA          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:TRP_3:HE1        1:ARG+_5:HA         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HZ3        1:ILE_7:HD1*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:TRP_3:HZ2        1:ILE_7:HA          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:TRP_3:HZ2        1:ILE_7:HD1*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:GLN_4:HN         1:GLN_4:HB*         1.900  3.770  3.770 10.00 10.00 1000.000  0.00
1:GLN_4:HN         1:GLN_4:HG1         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:GLN_4:HN         1:GLN_4:HG2         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:GLN_4:HN         1:GLN_4:HE2*        1.900  5.870  5.870 10.00 10.00 1000.000  0.00
1:GLN_4:HA         1:GLN_4:HE2*        1.900  4.370  4.370 10.00 10.00 1000.000  0.00
1:GLN_4:HA         1:ARG+_5:HN         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:GLN_4:HB1        1:GLN_4:HE21        1.900  6.730  6.730 10.00 10.00 1000.000  0.00
1:GLN_4:HB1        1:GLN_4:HE22        1.900  6.730  6.730 10.00 10.00 1000.000  0.00
1:GLN_4:HB*        1:ARG+_5:HN         1.900  4.380  4.380 10.00 10.00 1000.000  0.00
1:GLN_4:HB2        1:GLN_4:HE21        1.900  6.730  6.730 10.00 10.00 1000.000  0.00
1:GLN_4:HB2        1:GLN_4:HE22        1.900  6.730  6.730 10.00 10.00 1000.000  0.00
1:GLN_4:HG1        1:ARG+_5:HN         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HG*        1:ARG+_5:HN         1.900  4.230  4.230 10.00 10.00 1000.000  0.00
1:GLN_4:HG2        1:ARG+_5:HN         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:GLN_4:HE21       1:ARG+_5:HB1        1.900  6.730  6.730 10.00 10.00 1000.000  0.00
1:GLN_4:HE2*       1:ARG+_5:HB*        1.900  5.800  5.800 10.00 10.00 1000.000  0.00
1:GLN_4:HE21       1:ARG+_5:HB2        1.900  6.730  6.730 10.00 10.00 1000.000  0.00
1:GLN_4:HE2*       1:ARG+_5:HG*        1.900  6.740  6.740 10.00 10.00 1000.000  0.00
1:GLN_4:HE22       1:ARG+_5:HB1        1.900  6.730  6.730 10.00 10.00 1000.000  0.00
1:GLN_4:HE22       1:ARG+_5:HB2        1.900  6.730  6.730 10.00 10.00 1000.000  0.00
1:ARG+_5:HN        1:ARG+_5:HB*        1.900  3.770  3.770 10.00 10.00 1000.000  0.00
1:ARG+_5:HN        1:ASN_6:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ARG+_5:HA        1:ARG+_5:HG*        1.900  3.820  3.820 10.00 10.00 1000.000  0.00
1:ARG+_5:HA        1:ARG+_5:HE         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ARG+_5:HA        1:ASN_6:HN          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ARG+_5:HB*       1:ARG+_5:HE         1.900  4.380  4.380 10.00 10.00 1000.000  0.00
1:ARG+_5:HB*       1:ASN_6:HN          1.900  4.380  4.380 10.00 10.00 1000.000  0.00
1:ARG+_5:HG*       1:ASN_6:HN          1.900  4.380  4.380 10.00 10.00 1000.000  0.00
1:ASN_6:HN         1:ASN_6:HB1         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ASN_6:HN         1:ASN_6:HB2         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ASN_6:HA         1:ILE_7:HN          1.900  2.500  2.500 10.00 10.00 1000.000  0.00
1:ASN_6:HB1        1:ILE_7:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ASN_6:HB2        1:ILE_7:HN          1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:HB          1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:HG2*        1.900  4.500  4.500 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:HG11        1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:HG12        1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ILE_7:HD1*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ILE_7:HN         1:ARG+_8:HG*        1.900  4.380  4.380 10.00 10.00 1000.000  0.00
1:ILE_7:HA         1:ILE_7:HG1*        1.900  3.380  3.380 10.00 10.00 1000.000  0.00
1:ILE_7:HB         1:ILE_7:HG1*        1.900  2.640  2.640 10.00 10.00 1000.000  0.00
1:ILE_7:HB         1:ARG+_8:HN         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ILE_7:HG2*       1:ARG+_8:HN         1.900  4.500  4.500 10.00 10.00 1000.000  0.00
1:ILE_7:HG2*       1:ARG+_8:HD*        1.900  7.000  7.000 10.00 10.00 1000.000  0.00
1:ILE_7:HG1*       1:ARG+_8:HN         1.900  4.380  4.380 10.00 10.00 1000.000  0.00
1:ARG+_8:HN        1:ARG+_8:HG1        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HN        1:ARG+_8:HG2        1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HN        1:ARG+_8:HD*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_8:HG*        1.900  3.820  3.820 10.00 10.00 1000.000  0.00
1:ARG+_8:HA        1:ARG+_8:HE         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ARG+_8:HA        1:LYS+_9:HN         1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:ARG+_8:HB1       1:ARG+_8:HE         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HB*       1:ARG+_8:HE         1.900  4.230  4.230 10.00 10.00 1000.000  0.00
1:ARG+_8:HB2       1:ARG+_8:HE         1.900  5.000  5.000 10.00 10.00 1000.000  0.00
1:ARG+_8:HG*       1:ARG+_8:HE         1.900  3.790  3.790 10.00 10.00 1000.000  0.00
1:ARG+_8:HD*       1:ARG+_11:HD*       1.900  5.380  5.380 10.00 10.00 1000.000  0.00
1:LYS+_9:HN        1:LYS+_9:HG*        1.900  4.500  4.500 10.00 10.00 1000.000  0.00
1:LYS+_9:HN        1:LYS+_9:HD*        1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:LYS+_9:HA        1:LYS+_9:HB*        1.900  2.640  2.640 10.00 10.00 1000.000  0.00
1:LYS+_9:HA        1:VAL_10:HN         1.900  2.500  2.500 10.00 10.00 1000.000  0.00
1:LYS+_9:HA        1:VAL_10:HG1*       1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:LYS+_9:HA        1:VAL_10:HG2*       1.900  6.000  6.000 10.00 10.00 1000.000  0.00
1:LYS+_9:HB*       1:LYS+_9:HE*        1.900  6.880  6.880 10.00 10.00 1000.000  0.00
1:VAL_10:HN        1:VAL_10:HG1*       1.900  4.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_10:HN        1:VAL_10:HG2*       1.900  4.500  4.500 10.00 10.00 1000.000  0.00
1:VAL_10:HB        1:ARG+_11:HN        1.900  3.500  3.500 10.00 10.00 1000.000  0.00
1:VAL_10:HG*       1:ARG+_11:HN        1.900  6.060  6.060 10.00 10.00 1000.000  0.00
1:ARG+_11:HA       1:ARG+_11:HD*       1.900  4.380  4.380 10.00 10.00 1000.000  0.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1          1H        PHE   1   1.424   1.222   1.778
    2    HA   PHE   1           HA       PHE   1   2.296   2.394  -0.379
    3   1HB   PHE   1          1HB       PHE   1   4.396   0.709   1.062
    4   2HB   PHE   1          2HB       PHE   1   4.517   2.310   0.417
    5    HD1  PHE   1           HD1      PHE   1   3.145   4.229   1.683
    6    HD2  PHE   1           HD2      PHE   1   3.882   0.336   3.360
    7    HE1  PHE   1           HE1      PHE   1   2.584   5.075   3.919
    8    HE2  PHE   1           HE2      PHE   1   3.324   1.187   5.584
    9    HZ   PHE   1           HZ       PHE   1   2.671   3.565   5.885
   10    H    GLN   2           H        GLN   2   3.246  -0.965   0.141
   11    HA   GLN   2           HA       GLN   2   3.694  -1.553  -2.806
   12   1HB   GLN   2          1HB       GLN   2   3.626  -3.409  -0.342
   13   2HB   GLN   2          2HB       GLN   2   3.949  -3.982  -1.955
   14   1HG   GLN   2          1HG       GLN   2   5.744  -1.827  -0.654
   15   2HG   GLN   2          2HG       GLN   2   5.935  -3.530  -0.323
   16   1HE2  GLN   2          1HE2      GLN   2   5.946  -1.247  -3.056
   17   2HE2  GLN   2          2HE2      GLN   2   7.137  -2.282  -4.014
   18    H    TRP   3           H        TRP   3   1.177  -2.307  -0.423
   19    HA   TRP   3           HA       TRP   3  -0.376  -3.893  -2.484
   20   1HB   TRP   3          1HB       TRP   3  -1.433  -4.987  -0.768
   21   2HB   TRP   3          2HB       TRP   3   0.140  -4.771  -0.131
   22    HD1  TRP   3           HD1      TRP   3  -3.434  -4.258   0.483
   23    HE1  TRP   3           HE1      TRP   3  -4.147  -2.587   2.428
   24    HE3  TRP   3           HE3      TRP   3   1.248  -2.656   1.631
   25    HZ2  TRP   3           HZ2      TRP   3  -2.661  -1.192   4.380
   26    HZ3  TRP   3           HZ3      TRP   3   1.563  -1.299   3.697
   27    HH2  TRP   3           HH2      TRP   3  -0.352  -0.560   5.020
   28    H    GLN   4           H        GLN   4  -2.800  -3.734  -2.320
   29    HA   GLN   4           HA       GLN   4  -3.775  -0.849  -2.348
   30   1HB   GLN   4          1HB       GLN   4  -5.631  -1.665  -3.866
   31   2HB   GLN   4          2HB       GLN   4  -4.018  -1.465  -4.479
   32   1HG   GLN   4          1HG       GLN   4  -5.031  -3.449  -5.465
   33   2HG   GLN   4          2HG       GLN   4  -3.585  -3.865  -4.619
   34   1HE2  GLN   4          1HE2      GLN   4  -3.765  -5.314  -2.982
   35   2HE2  GLN   4          2HE2      GLN   4  -5.363  -5.887  -2.276
   36    H    ARG   5           H        ARG   5  -6.190  -3.362  -2.020
   37    HA   ARG   5           HA       ARG   5  -6.654  -2.475   0.906
   38   1HB   ARG   5          1HB       ARG   5  -8.128  -1.213  -0.472
   39   2HB   ARG   5          2HB       ARG   5  -8.684  -2.613  -1.376
   40   1HG   ARG   5          1HG       ARG   5  -9.998  -3.459   0.372
   41   2HG   ARG   5          2HG       ARG   5  -9.143  -2.654   1.654
   42   1HD   ARG   5          1HD       ARG   5 -10.747  -0.980  -0.409
   43   2HD   ARG   5          2HD       ARG   5 -11.586  -1.899   0.849
   44    HE   ARG   5           HE       ARG   5  -9.304  -0.213   1.875
   45   1HH1  ARG   5          2HH2      ARG   5 -12.735  -0.222   1.271
   46   2HH1  ARG   5          1HH2      ARG   5 -13.063   0.954   2.631
   47   1HH2  ARG   5          2HH1      ARG   5  -9.717   1.136   3.419
   48   2HH2  ARG   5          1HH1      ARG   5 -11.418   1.679   3.770
   49    H    ASN   6           H        ASN   6  -5.221  -4.463   0.850
   50    HA   ASN   6           HA       ASN   6  -6.752  -6.485   2.313
   51   1HB   ASN   6          1HB       ASN   6  -6.994  -7.246  -0.235
   52   2HB   ASN   6          2HB       ASN   6  -5.354  -7.825  -0.083
   53   1HD2  ASN   6          1HD2      ASN   6  -7.826  -9.311  -0.521
   54   2HD2  ASN   6          2HD2      ASN   6  -7.863 -10.529   0.855
   55    H    ILE   7           H        ILE   7  -5.350  -6.070   4.043
   56    HA   ILE   7           HA       ILE   7  -2.398  -6.128   3.567
   57    HB   ILE   7           HB       ILE   7  -3.358  -5.848   6.442
   58   1HG1  ILE   7          1HG1      ILE   7  -3.843  -3.609   4.470
   59   2HG1  ILE   7          2HG1      ILE   7  -4.999  -4.374   5.516
   60   1HG2  ILE   7          1HG2      ILE   7  -1.356  -4.440   6.609
   61   2HG2  ILE   7          2HG2      ILE   7  -0.925  -5.930   5.758
   62   3HG2  ILE   7          3HG2      ILE   7  -1.162  -4.421   4.839
   63   1HD1  ILE   7          1HD1      ILE   7  -3.815  -3.364   7.549
   64   2HD1  ILE   7          2HD1      ILE   7  -2.681  -2.553   6.445
   65   3HD1  ILE   7          3HD1      ILE   7  -4.398  -2.139   6.394
   66    H    ARG   8           H        ARG   8  -4.568  -7.743   5.836
   67    HA   ARG   8           HA       ARG   8  -2.778 -10.105   6.368
   68   1HB   ARG   8          1HB       ARG   8  -4.754 -10.911   7.761
   69   2HB   ARG   8          2HB       ARG   8  -3.905  -9.514   8.304
   70   1HG   ARG   8          1HG       ARG   8  -6.196  -8.609   6.622
   71   2HG   ARG   8          2HG       ARG   8  -6.763  -9.825   7.708
   72   1HD   ARG   8          1HD       ARG   8  -7.048  -7.488   8.565
   73   2HD   ARG   8          2HD       ARG   8  -6.145  -8.529   9.684
   74    HE   ARG   8           HE       ARG   8  -4.085  -7.306   8.192
   75   1HH1  ARG   8          2HH2      ARG   8  -6.647  -6.072  10.203
   76   2HH1  ARG   8          1HH2      ARG   8  -5.587  -4.732  10.854
   77   1HH2  ARG   8          2HH1      ARG   8  -2.910  -5.768   8.959
   78   2HH2  ARG   8          1HH1      ARG   8  -3.577  -4.593  10.175
   79    H    LYS   9           H        LYS   9  -2.588 -11.329   4.563
   80    HA   LYS   9           HA       LYS   9  -4.806 -11.844   2.690
   81   1HB   LYS   9          1HB       LYS   9  -2.375 -11.605   2.070
   82   2HB   LYS   9          2HB       LYS   9  -2.034 -13.163   2.826
   83   1HG   LYS   9          1HG       LYS   9  -3.624 -14.288   1.188
   84   2HG   LYS   9          2HG       LYS   9  -3.982 -12.724   0.454
   85   1HD   LYS   9          1HD       LYS   9  -1.541 -12.460  -0.185
   86   2HD   LYS   9          2HD       LYS   9  -1.166 -14.006   0.586
   87   1HE   LYS   9          1HE       LYS   9  -2.755 -15.204  -1.018
   88   2HE   LYS   9          2HE       LYS   9  -3.146 -13.665  -1.790
   89   1HZ   LYS   9          1HZ       LYS   9  -0.724 -13.421  -2.380
   90   2HZ   LYS   9          2HZ       LYS   9  -0.365 -14.851  -1.666
   91   3HZ   LYS   9          3HZ       LYS   9  -1.309 -14.822  -3.011
   92    H    VAL  10           H        VAL  10  -6.217 -12.570   4.224
   93    HA   VAL  10           HA       VAL  10  -6.428 -15.625   4.276
   94    HB   VAL  10           HB       VAL  10  -6.383 -13.651   6.458
   95   1HG1  VAL  10          1HG1      VAL  10  -8.838 -13.472   6.390
   96   2HG1  VAL  10          2HG1      VAL  10  -8.990 -15.240   6.562
   97   3HG1  VAL  10          3HG1      VAL  10  -8.262 -14.264   7.871
   98   1HG2  VAL  10          1HG2      VAL  10  -6.175 -15.642   7.888
   99   2HG2  VAL  10          2HG2      VAL  10  -6.723 -16.702   6.562
  100   3HG2  VAL  10          3HG2      VAL  10  -5.179 -15.825   6.432
  101    H    ARG  11           H        ARG  11  -8.279 -12.735   3.560
  102    HA   ARG  11           HA       ARG  11 -10.878 -14.155   3.258
  103   1HB   ARG  11          1HB       ARG  11 -10.123 -11.391   2.156
  104   2HB   ARG  11          2HB       ARG  11 -11.726 -12.049   2.300
  105   1HG   ARG  11          1HG       ARG  11 -11.964 -11.095   4.345
  106   2HG   ARG  11          2HG       ARG  11 -10.802 -12.216   4.986
  107   1HD   ARG  11          1HD       ARG  11 -10.053 -10.001   5.614
  108   2HD   ARG  11          2HD       ARG  11  -8.902 -10.593   4.403
  109    HE   ARG  11           HE       ARG  11 -11.077  -9.125   3.045
  110   1HH1  ARG  11          2HH2      ARG  11  -8.265  -8.500   4.957
  111   2HH1  ARG  11          1HH2      ARG  11  -8.087  -6.800   4.287
  112   1HH2  ARG  11          2HH1      ARG  11 -10.785  -7.260   2.206
  113   2HH2  ARG  11          1HH1      ARG  11  -9.402  -6.191   2.694
  114   1HN   NH2  12          1HN       NH2  12 -10.447 -15.371  -0.117
  115   2HN   NH2  12          2HN       NH2  12 -10.823 -15.787   1.631
  116   1H2   DAO  13          1H2       DAO  13  -1.714  -0.042   0.342
  117   2H2   DAO  13          2H2       DAO  13  -0.957   0.339   1.849
  118   1H3   DAO  13          1H3       DAO  13  -2.711   2.376   0.358
  119   2H3   DAO  13          2H3       DAO  13  -3.370   1.190   1.489
  120   1H4   DAO  13          1H4       DAO  13  -2.033   2.037   3.354
  121   2H4   DAO  13          2H4       DAO  13  -1.107   3.117   2.312
  122   1H5   DAO  13          1H5       DAO  13  -4.148   3.419   2.804
  123   2H5   DAO  13          2H5       DAO  13  -3.154   4.446   1.772
  124   1H6   DAO  13          1H6       DAO  13  -2.949   4.094   4.828
  125   2H6   DAO  13          2H6       DAO  13  -1.655   4.864   3.931
  126   1H7   DAO  13          1H7       DAO  13  -4.570   5.895   3.971
  127   2H7   DAO  13          2H7       DAO  13  -3.278   6.452   5.021
  128   1H8   DAO  13          1H8       DAO  13  -1.927   7.044   2.826
  129   2H8   DAO  13          2H8       DAO  13  -3.420   6.744   1.962
  130   1H9   DAO  13          1H9       DAO  13  -4.560   8.536   3.475
  131   2H9   DAO  13          2H9       DAO  13  -3.419   9.074   2.251
  132   1H10  DAO  13          1H10      DAO  13  -2.731   8.738   5.244
  133   2H10  DAO  13          2H10      DAO  13  -1.572   9.193   3.996
  134   1H11  DAO  13          1H11      DAO  13  -2.992  11.245   3.447
  135   2H11  DAO  13          2H11      DAO  13  -4.110  10.800   4.738
  136   1H12  DAO  13          1H12      DAO  13  -2.222  11.012   6.445
  137   2H12  DAO  13          2H12      DAO  13  -1.100  11.461   5.134
  138   3H12  DAO  13          3H12      DAO  13  -2.466  12.525   5.541
  Start of MODEL    2
    1   1H    PHE   1          1H        PHE   1   2.111   0.385   0.901
    2    HA   PHE   1           HA       PHE   1   2.324   0.996  -1.674
    3   1HB   PHE   1          1HB       PHE   1   4.719  -0.283  -0.269
    4   2HB   PHE   1          2HB       PHE   1   4.695   1.008  -1.427
    5    HD1  PHE   1           HD1      PHE   1   4.974   0.252   2.013
    6    HD2  PHE   1           HD2      PHE   1   3.277   3.233  -0.584
    7    HE1  PHE   1           HE1      PHE   1   4.790   1.786   3.900
    8    HE2  PHE   1           HE2      PHE   1   3.085   4.767   1.315
    9    HZ   PHE   1           HZ       PHE   1   3.845   4.066   3.574
   10    H    GLN   2           H        GLN   2   3.381  -2.145  -0.472
   11    HA   GLN   2           HA       GLN   2   3.646  -3.476  -3.119
   12   1HB   GLN   2          1HB       GLN   2   4.734  -4.138  -0.840
   13   2HB   GLN   2          2HB       GLN   2   3.169  -4.756  -0.352
   14   1HG   GLN   2          1HG       GLN   2   4.334  -6.651  -1.043
   15   2HG   GLN   2          2HG       GLN   2   3.298  -6.351  -2.430
   16   1HE2  GLN   2          1HE2      GLN   2   5.598  -7.934  -2.523
   17   2HE2  GLN   2          2HE2      GLN   2   6.819  -7.061  -3.596
   18    H    TRP   3           H        TRP   3   0.848  -3.085  -1.011
   19    HA   TRP   3           HA       TRP   3  -0.865  -4.804  -2.871
   20   1HB   TRP   3          1HB       TRP   3  -2.082  -5.659  -1.078
   21   2HB   TRP   3          2HB       TRP   3  -0.455  -5.784  -0.553
   22    HD1  TRP   3           HD1      TRP   3  -3.788  -4.727   0.496
   23    HE1  TRP   3           HE1      TRP   3  -3.931  -3.280   2.738
   24    HE3  TRP   3           HE3      TRP   3   1.193  -3.713   0.891
   25    HZ2  TRP   3           HZ2      TRP   3  -2.012  -1.995   4.314
   26    HZ3  TRP   3           HZ3      TRP   3   1.996  -2.421   2.839
   27    HH2  TRP   3           HH2      TRP   3   0.424  -1.561   4.517
   28    H    GLN   4           H        GLN   4  -3.208  -4.239  -2.698
   29    HA   GLN   4           HA       GLN   4  -3.760  -1.311  -3.045
   30   1HB   GLN   4          1HB       GLN   4  -5.340  -3.946  -3.290
   31   2HB   GLN   4          2HB       GLN   4  -6.237  -2.469  -3.199
   32   1HG   GLN   4          1HG       GLN   4  -3.998  -2.782  -5.265
   33   2HG   GLN   4          2HG       GLN   4  -5.616  -3.368  -5.530
   34   1HE2  GLN   4          1HE2      GLN   4  -7.302  -1.396  -4.743
   35   2HE2  GLN   4          2HE2      GLN   4  -6.822   0.208  -5.493
   36    H    ARG   5           H        ARG   5  -6.307  -2.730  -1.323
   37    HA   ARG   5           HA       ARG   5  -5.537  -1.505   1.364
   38   1HB   ARG   5          1HB       ARG   5  -6.239   0.446   0.371
   39   2HB   ARG   5          2HB       ARG   5  -7.507  -0.267  -0.591
   40   1HG   ARG   5          1HG       ARG   5  -9.081  -0.274   1.037
   41   2HG   ARG   5          2HG       ARG   5  -7.997  -0.456   2.380
   42   1HD   ARG   5          1HD       ARG   5  -7.976   2.228   0.836
   43   2HD   ARG   5          2HD       ARG   5  -9.323   1.838   1.909
   44    HE   ARG   5           HE       ARG   5  -6.527   1.439   3.052
   45   1HH1  ARG   5          2HH2      ARG   5  -9.291   3.550   3.002
   46   2HH1  ARG   5          1HH2      ARG   5  -8.976   4.127   4.708
   47   1HH2  ARG   5          2HH1      ARG   5  -6.210   2.101   4.993
   48   2HH2  ARG   5          1HH1      ARG   5  -7.308   3.333   5.761
   49    H    ASN   6           H        ASN   6  -5.522  -3.891   1.291
   50    HA   ASN   6           HA       ASN   6  -7.456  -4.735   3.329
   51   1HB   ASN   6          1HB       ASN   6  -8.629  -5.200   0.847
   52   2HB   ASN   6          2HB       ASN   6  -7.710  -6.654   0.937
   53   1HD2  ASN   6          1HD2      ASN   6 -10.100  -4.706   2.605
   54   2HD2  ASN   6          2HD2      ASN   6 -11.015  -6.161   3.241
   55    H    ILE   7           H        ILE   7  -5.528  -5.120   4.501
   56    HA   ILE   7           HA       ILE   7  -3.418  -6.834   3.365
   57    HB   ILE   7           HB       ILE   7  -2.915  -6.595   6.248
   58   1HG1  ILE   7          1HG1      ILE   7  -3.343  -3.894   4.902
   59   2HG1  ILE   7          2HG1      ILE   7  -4.310  -4.558   6.203
   60   1HG2  ILE   7          1HG2      ILE   7  -1.375  -5.513   3.828
   61   2HG2  ILE   7          2HG2      ILE   7  -0.744  -5.771   5.468
   62   3HG2  ILE   7          3HG2      ILE   7  -1.240  -7.157   4.490
   63   1HD1  ILE   7          1HD1      ILE   7  -2.723  -2.941   7.157
   64   2HD1  ILE   7          2HD1      ILE   7  -2.261  -4.563   7.734
   65   3HD1  ILE   7          3HD1      ILE   7  -1.335  -3.771   6.434
   66    H    ARG   8           H        ARG   8  -4.785  -7.496   6.576
   67    HA   ARG   8           HA       ARG   8  -5.821  -9.351   7.526
   68   1HB   ARG   8          1HB       ARG   8  -6.999 -10.106   4.845
   69   2HB   ARG   8          2HB       ARG   8  -7.711 -10.269   6.435
   70   1HG   ARG   8          1HG       ARG   8  -7.416  -7.799   4.658
   71   2HG   ARG   8          2HG       ARG   8  -8.894  -8.601   5.105
   72   1HD   ARG   8          1HD       ARG   8  -7.096  -6.979   7.015
   73   2HD   ARG   8          2HD       ARG   8  -8.487  -6.333   6.200
   74    HE   ARG   8           HE       ARG   8  -8.497  -8.154   8.606
   75   1HH1  ARG   8          2HH2      ARG   8 -10.496  -6.902   6.061
   76   2HH1  ARG   8          1HH2      ARG   8 -12.030  -7.178   7.024
   77   1HH2  ARG   8          2HH1      ARG   8 -10.242  -8.450   9.677
   78   2HH2  ARG   8          1HH1      ARG   8 -11.864  -8.027   8.973
   79    H    LYS   9           H        LYS   9  -6.090 -11.690   5.213
   80    HA   LYS   9           HA       LYS   9  -3.351 -12.931   5.686
   81   1HB   LYS   9          1HB       LYS   9  -5.994 -14.524   5.488
   82   2HB   LYS   9          2HB       LYS   9  -4.388 -15.225   5.421
   83   1HG   LYS   9          1HG       LYS   9  -3.915 -14.336   7.780
   84   2HG   LYS   9          2HG       LYS   9  -5.576 -13.759   7.856
   85   1HD   LYS   9          1HD       LYS   9  -6.386 -16.169   7.401
   86   2HD   LYS   9          2HD       LYS   9  -4.703 -16.700   7.438
   87   1HE   LYS   9          1HE       LYS   9  -4.511 -15.774   9.848
   88   2HE   LYS   9          2HE       LYS   9  -6.222 -15.340   9.789
   89   1HZ   LYS   9          1HZ       LYS   9  -6.735 -17.767   9.347
   90   2HZ   LYS   9          2HZ       LYS   9  -5.146 -18.149   9.450
   91   3HZ   LYS   9          3HZ       LYS   9  -5.943 -17.604  10.778
   92    H    VAL  10           H        VAL  10  -2.743 -14.324   3.835
   93    HA   VAL  10           HA       VAL  10  -2.129 -13.190   1.602
   94    HB   VAL  10           HB       VAL  10  -2.187 -15.241   0.205
   95   1HG1  VAL  10          1HG1      VAL  10  -1.149 -15.759   3.055
   96   2HG1  VAL  10          2HG1      VAL  10  -0.612 -16.544   1.554
   97   3HG1  VAL  10          3HG1      VAL  10  -0.308 -14.817   1.800
   98   1HG2  VAL  10          1HG2      VAL  10  -2.928 -17.434   1.108
   99   2HG2  VAL  10          2HG2      VAL  10  -3.625 -16.647   2.546
  100   3HG2  VAL  10          3HG2      VAL  10  -4.316 -16.345   0.938
  101    H    ARG  11           H        ARG  11  -2.767 -11.937   0.083
  102    HA   ARG  11           HA       ARG  11  -5.449 -12.298  -1.349
  103   1HB   ARG  11          1HB       ARG  11  -4.604  -9.949   0.425
  104   2HB   ARG  11          2HB       ARG  11  -5.539  -9.580  -0.999
  105   1HG   ARG  11          1HG       ARG  11  -7.485 -10.630  -0.295
  106   2HG   ARG  11          2HG       ARG  11  -6.660 -11.861   0.634
  107   1HD   ARG  11          1HD       ARG  11  -6.126 -10.212   2.483
  108   2HD   ARG  11          2HD       ARG  11  -6.811  -8.917   1.540
  109    HE   ARG  11           HE       ARG  11  -8.963  -9.499   2.251
  110   1HH1  ARG  11          2HH2      ARG  11  -6.946 -12.329   2.744
  111   2HH1  ARG  11          1HH2      ARG  11  -8.358 -13.297   3.401
  112   1HH2  ARG  11          2HH1      ARG  11 -10.529 -10.668   2.944
  113   2HH2  ARG  11          1HH1      ARG  11 -10.270 -12.364   3.561
  114   1HN   NH2  12          1HN       NH2  12  -2.633 -10.158  -3.388
  115   2HN   NH2  12          2HN       NH2  12  -2.739  -9.823  -1.578
  116   1H2   DAO  13          1H2       DAO  13  -1.243  -0.687   0.855
  117   2H2   DAO  13          2H2       DAO  13  -0.259   0.366   1.843
  118   1H3   DAO  13          1H3       DAO  13  -2.605   1.247   0.043
  119   2H3   DAO  13          2H3       DAO  13  -2.720   0.965   1.780
  120   1H4   DAO  13          1H4       DAO  13  -1.032   2.792   2.213
  121   2H4   DAO  13          2H4       DAO  13  -0.848   3.052   0.490
  122   1H5   DAO  13          1H5       DAO  13  -3.472   3.520   0.449
  123   2H5   DAO  13          2H5       DAO  13  -2.309   4.758   0.871
  124   1H6   DAO  13          1H6       DAO  13  -3.804   3.103   3.001
  125   2H6   DAO  13          2H6       DAO  13  -2.676   4.427   3.301
  126   1H7   DAO  13          1H7       DAO  13  -4.259   5.918   1.801
  127   2H7   DAO  13          2H7       DAO  13  -5.413   4.590   1.880
  128   1H8   DAO  13          1H8       DAO  13  -5.306   4.800   4.475
  129   2H8   DAO  13          2H8       DAO  13  -4.269   6.203   4.263
  130   1H9   DAO  13          1H9       DAO  13  -7.127   5.957   3.097
  131   2H9   DAO  13          2H9       DAO  13  -6.075   7.355   2.910
  132   1H10  DAO  13          1H10      DAO  13  -7.036   6.274   5.639
  133   2H10  DAO  13          2H10      DAO  13  -6.058   7.714   5.415
  134   1H11  DAO  13          1H11      DAO  13  -8.920   7.353   4.276
  135   2H11  DAO  13          2H11      DAO  13  -8.546   8.124   5.809
  136   1H12  DAO  13          1H12      DAO  13  -7.615   9.174   3.048
  137   2H12  DAO  13          2H12      DAO  13  -8.887   9.869   4.075
  138   3H12  DAO  13          3H12      DAO  13  -7.192   9.917   4.612
  Start of MODEL    3
    1   1H    PHE   1          1H        PHE   1   0.549   1.797   0.574
    2    HA   PHE   1           HA       PHE   1   1.068   2.018  -2.009
    3   1HB   PHE   1          1HB       PHE   1   3.424   1.777  -0.077
    4   2HB   PHE   1          2HB       PHE   1   3.245   2.812  -1.457
    5    HD1  PHE   1           HD1      PHE   1   1.128   4.586  -1.252
    6    HD2  PHE   1           HD2      PHE   1   3.075   2.678   2.077
    7    HE1  PHE   1           HE1      PHE   1   0.139   6.225   0.277
    8    HE2  PHE   1           HE2      PHE   1   2.094   4.318   3.594
    9    HZ   PHE   1           HZ       PHE   1   0.615   6.113   2.711
   10    H    GLN   2           H        GLN   2   2.737  -0.414  -0.066
   11    HA   GLN   2           HA       GLN   2   3.710  -2.028  -2.392
   12   1HB   GLN   2          1HB       GLN   2   4.811  -1.888  -0.101
   13   2HB   GLN   2          2HB       GLN   2   3.467  -2.789   0.591
   14   1HG   GLN   2          1HG       GLN   2   4.055  -4.770  -0.899
   15   2HG   GLN   2          2HG       GLN   2   5.377  -3.861  -1.609
   16   1HE2  GLN   2          1HE2      GLN   2   7.181  -3.294  -0.127
   17   2HE2  GLN   2          2HE2      GLN   2   7.444  -4.391   1.332
   18    H    TRP   3           H        TRP   3   0.783  -2.264  -0.416
   19    HA   TRP   3           HA       TRP   3  -0.087  -4.765  -1.951
   20   1HB   TRP   3          1HB       TRP   3  -1.347  -5.518  -0.136
   21   2HB   TRP   3          2HB       TRP   3   0.159  -5.060   0.550
   22    HD1  TRP   3           HD1      TRP   3  -3.520  -4.603   0.803
   23    HE1  TRP   3           HE1      TRP   3  -4.366  -2.693   2.457
   24    HE3  TRP   3           HE3      TRP   3   1.038  -2.535   1.697
   25    HZ2  TRP   3           HZ2      TRP   3  -3.040  -0.633   3.862
   26    HZ3  TRP   3           HZ3      TRP   3   1.199  -0.616   3.261
   27    HH2  TRP   3           HH2      TRP   3  -0.806   0.325   4.313
   28    H    GLN   4           H        GLN   4  -2.475  -4.935  -2.186
   29    HA   GLN   4           HA       GLN   4  -3.704  -2.434  -3.330
   30   1HB   GLN   4          1HB       GLN   4  -4.337  -5.429  -3.339
   31   2HB   GLN   4          2HB       GLN   4  -5.690  -4.381  -3.576
   32   1HG   GLN   4          1HG       GLN   4  -3.233  -3.746  -5.266
   33   2HG   GLN   4          2HG       GLN   4  -4.110  -5.218  -5.573
   34   1HE2  GLN   4          1HE2      GLN   4  -5.520  -2.036  -4.612
   35   2HE2  GLN   4          2HE2      GLN   4  -6.494  -1.922  -6.164
   36    H    ARG   5           H        ARG   5  -6.108  -4.223  -1.735
   37    HA   ARG   5           HA       ARG   5  -6.220  -2.247   0.610
   38   1HB   ARG   5          1HB       ARG   5  -7.320  -1.073  -1.164
   39   2HB   ARG   5          2HB       ARG   5  -8.378  -2.422  -1.554
   40   1HG   ARG   5          1HG       ARG   5  -9.702  -2.176   0.353
   41   2HG   ARG   5          2HG       ARG   5  -8.500  -1.353   1.309
   42   1HD   ARG   5          1HD       ARG   5  -9.695   0.041  -1.191
   43   2HD   ARG   5          2HD       ARG   5 -10.622  -0.068   0.314
   44    HE   ARG   5           HE       ARG   5  -7.872   0.914   0.854
   45   1HH1  ARG   5          2HH2      ARG   5 -10.964   2.030  -0.278
   46   2HH1  ARG   5          1HH2      ARG   5 -10.768   3.660   0.530
   47   1HH2  ARG   5          2HH1      ARG   5  -7.696   2.771   1.795
   48   2HH2  ARG   5          1HH1      ARG   5  -8.993   4.038   1.638
   49    H    ASN   6           H        ASN   6  -5.427  -4.405   1.211
   50    HA   ASN   6           HA       ASN   6  -7.312  -5.483   3.194
   51   1HB   ASN   6          1HB       ASN   6  -7.965  -6.812   1.018
   52   2HB   ASN   6          2HB       ASN   6  -6.411  -7.613   1.138
   53   1HD2  ASN   6          1HD2      ASN   6  -8.316  -9.266   1.102
   54   2HD2  ASN   6          2HD2      ASN   6  -8.783  -9.864   2.783
   55    H    ILE   7           H        ILE   7  -5.743  -5.114   4.767
   56    HA   ILE   7           HA       ILE   7  -2.920  -5.269   4.275
   57    HB   ILE   7           HB       ILE   7  -3.709  -5.496   7.163
   58   1HG1  ILE   7          1HG1      ILE   7  -5.523  -4.063   6.467
   59   2HG1  ILE   7          2HG1      ILE   7  -4.397  -3.352   7.598
   60   1HG2  ILE   7          1HG2      ILE   7  -1.700  -3.689   5.732
   61   2HG2  ILE   7          2HG2      ILE   7  -1.913  -3.844   7.496
   62   3HG2  ILE   7          3HG2      ILE   7  -1.337  -5.231   6.543
   63   1HD1  ILE   7          1HD1      ILE   7  -5.125  -1.654   5.935
   64   2HD1  ILE   7          2HD1      ILE   7  -3.382  -1.945   5.787
   65   3HD1  ILE   7          3HD1      ILE   7  -4.512  -2.661   4.605
   66    H    ARG   8           H        ARG   8  -4.906  -7.370   6.122
   67    HA   ARG   8           HA       ARG   8  -3.104  -9.644   6.717
   68   1HB   ARG   8          1HB       ARG   8  -5.419 -10.791   7.153
   69   2HB   ARG   8          2HB       ARG   8  -4.868  -9.569   8.236
   70   1HG   ARG   8          1HG       ARG   8  -6.602  -8.481   5.997
   71   2HG   ARG   8          2HG       ARG   8  -7.390  -9.692   6.931
   72   1HD   ARG   8          1HD       ARG   8  -7.790  -7.260   7.621
   73   2HD   ARG   8          2HD       ARG   8  -7.431  -8.402   8.929
   74    HE   ARG   8           HE       ARG   8  -4.891  -7.322   8.357
   75   1HH1  ARG   8          2HH2      ARG   8  -7.922  -5.880   9.293
   76   2HH1  ARG   8          1HH2      ARG   8  -7.082  -4.641  10.344
   77   1HH2  ARG   8          2HH1      ARG   8  -3.983  -5.921   9.588
   78   2HH2  ARG   8          1HH1      ARG   8  -4.961  -4.681  10.487
   79    H    LYS   9           H        LYS   9  -2.911 -11.518   5.688
   80    HA   LYS   9           HA       LYS   9  -3.209 -11.817   2.853
   81   1HB   LYS   9          1HB       LYS   9  -2.479 -14.134   3.193
   82   2HB   LYS   9          2HB       LYS   9  -1.554 -13.038   4.181
   83   1HG   LYS   9          1HG       LYS   9  -2.899 -13.735   6.228
   84   2HG   LYS   9          2HG       LYS   9  -3.878 -14.805   5.233
   85   1HD   LYS   9          1HD       LYS   9  -1.911 -16.180   4.626
   86   2HD   LYS   9          2HD       LYS   9  -0.793 -15.104   5.428
   87   1HE   LYS   9          1HE       LYS   9  -3.063 -16.626   6.923
   88   2HE   LYS   9          2HE       LYS   9  -1.470 -17.318   6.653
   89   1HZ   LYS   9          1HZ       LYS   9  -0.456 -15.412   7.885
   90   2HZ   LYS   9          2HZ       LYS   9  -1.920 -14.727   8.138
   91   3HZ   LYS   9          3HZ       LYS   9  -1.550 -16.161   8.854
   92    H    VAL  10           H        VAL  10  -4.278 -13.596   1.660
   93    HA   VAL  10           HA       VAL  10  -7.088 -13.153   1.568
   94    HB   VAL  10           HB       VAL  10  -7.282 -15.040  -0.049
   95   1HG1  VAL  10          1HG1      VAL  10  -6.726 -12.749  -0.842
   96   2HG1  VAL  10          2HG1      VAL  10  -4.986 -13.085  -0.678
   97   3HG1  VAL  10          3HG1      VAL  10  -5.965 -13.983  -1.859
   98   1HG2  VAL  10          1HG2      VAL  10  -5.311 -16.232  -0.951
   99   2HG2  VAL  10          2HG2      VAL  10  -4.243 -15.490   0.262
  100   3HG2  VAL  10          3HG2      VAL  10  -5.508 -16.632   0.763
  101    H    ARG  11           H        ARG  11  -8.785 -13.850   2.590
  102    HA   ARG  11           HA       ARG  11  -8.868 -16.529   3.979
  103   1HB   ARG  11          1HB       ARG  11  -9.340 -15.818   6.142
  104   2HB   ARG  11          2HB       ARG  11  -7.889 -14.974   5.687
  105   1HG   ARG  11          1HG       ARG  11 -10.708 -13.677   5.721
  106   2HG   ARG  11          2HG       ARG  11  -9.653 -13.719   7.108
  107   1HD   ARG  11          1HD       ARG  11  -7.934 -12.333   6.025
  108   2HD   ARG  11          2HD       ARG  11  -8.723 -12.373   4.477
  109    HE   ARG  11           HE       ARG  11  -9.588 -10.763   6.895
  110   1HH1  ARG  11          2HH2      ARG  11 -10.721 -11.959   3.839
  111   2HH1  ARG  11          1HH2      ARG  11 -11.828 -10.522   3.603
  112   1HH2  ARG  11          2HH1      ARG  11 -10.875  -9.162   6.614
  113   2HH2  ARG  11          1HH1      ARG  11 -11.904  -9.033   5.121
  114   1HN   NH2  12          1HN       NH2  12 -12.337 -16.524   3.158
  115   2HN   NH2  12          2HN       NH2  12 -10.848 -17.491   3.634
  116   1H2   DAO  13          1H2       DAO  13  -2.082  -0.538   0.242
  117   2H2   DAO  13          2H2       DAO  13  -1.705   0.843   1.247
  118   1H3   DAO  13          1H3       DAO  13  -3.938   0.678  -0.857
  119   2H3   DAO  13          2H3       DAO  13  -4.130   0.528   0.892
  120   1H4   DAO  13          1H4       DAO  13  -3.109   2.926   1.074
  121   2H4   DAO  13          2H4       DAO  13  -3.220   3.025  -0.682
  122   1H5   DAO  13          1H5       DAO  13  -5.496   2.769   1.360
  123   2H5   DAO  13          2H5       DAO  13  -5.806   2.385  -0.330
  124   1H6   DAO  13          1H6       DAO  13  -6.314   4.821   0.544
  125   2H6   DAO  13          2H6       DAO  13  -4.583   5.107   0.489
  126   1H7   DAO  13          1H7       DAO  13  -4.613   4.484  -2.016
  127   2H7   DAO  13          2H7       DAO  13  -6.336   4.173  -1.885
  128   1H8   DAO  13          1H8       DAO  13  -6.443   6.727  -0.962
  129   2H8   DAO  13          2H8       DAO  13  -4.846   6.846  -1.670
  130   1H9   DAO  13          1H9       DAO  13  -5.848   6.123  -3.937
  131   2H9   DAO  13          2H9       DAO  13  -6.374   7.674  -3.306
  132   1H10  DAO  13          1H10      DAO  13  -7.963   5.037  -3.228
  133   2H10  DAO  13          2H10      DAO  13  -8.474   6.443  -2.311
  134   1H11  DAO  13          1H11      DAO  13  -8.077   6.476  -5.381
  135   2H11  DAO  13          2H11      DAO  13  -9.594   6.060  -4.599
  136   1H12  DAO  13          1H12      DAO  13  -8.186   8.805  -4.323
  137   2H12  DAO  13          2H12      DAO  13  -9.658   8.454  -5.256
  138   3H12  DAO  13          3H12      DAO  13  -9.688   8.347  -3.481
  Start of MODEL    4
    1   1H    PHE   1          1H        PHE   1   1.085   0.388   1.641
    2    HA   PHE   1           HA       PHE   1   1.593   2.304  -0.244
    3   1HB   PHE   1          1HB       PHE   1   3.884   0.713   0.979
    4   2HB   PHE   1          2HB       PHE   1   3.771   2.408   0.652
    5    HD1  PHE   1           HD1      PHE   1   1.716   3.641   2.120
    6    HD2  PHE   1           HD2      PHE   1   3.758   0.018   3.222
    7    HE1  PHE   1           HE1      PHE   1   0.938   3.894   4.436
    8    HE2  PHE   1           HE2      PHE   1   2.981   0.281   5.527
    9    HZ   PHE   1           HZ       PHE   1   1.563   2.218   6.152
   10    H    GLN   2           H        GLN   2   3.043  -0.930  -0.257
   11    HA   GLN   2           HA       GLN   2   3.254  -0.910  -3.307
   12   1HB   GLN   2          1HB       GLN   2   5.224  -1.589  -1.954
   13   2HB   GLN   2          2HB       GLN   2   4.331  -2.929  -1.241
   14   1HG   GLN   2          1HG       GLN   2   4.214  -4.116  -3.387
   15   2HG   GLN   2          2HG       GLN   2   4.650  -2.684  -4.293
   16   1HE2  GLN   2          1HE2      GLN   2   6.063  -4.949  -1.910
   17   2HE2  GLN   2          2HE2      GLN   2   7.756  -4.733  -2.607
   18    H    TRP   3           H        TRP   3   1.115  -2.234  -0.871
   19    HA   TRP   3           HA       TRP   3  -0.221  -4.064  -2.899
   20   1HB   TRP   3          1HB       TRP   3  -1.304  -5.198  -1.217
   21   2HB   TRP   3          2HB       TRP   3   0.271  -4.976  -0.577
   22    HD1  TRP   3           HD1      TRP   3  -3.348  -4.548   0.163
   23    HE1  TRP   3           HE1      TRP   3  -3.887  -3.423   2.497
   24    HE3  TRP   3           HE3      TRP   3   1.372  -2.908   1.108
   25    HZ2  TRP   3           HZ2      TRP   3  -2.279  -2.074   4.413
   26    HZ3  TRP   3           HZ3      TRP   3   1.850  -1.819   3.284
   27    HH2  TRP   3           HH2      TRP   3   0.051  -1.387   4.898
   28    H    GLN   4           H        GLN   4  -2.683  -4.001  -2.708
   29    HA   GLN   4           HA       GLN   4  -3.737  -1.278  -3.329
   30   1HB   GLN   4          1HB       GLN   4  -4.823  -4.145  -3.330
   31   2HB   GLN   4          2HB       GLN   4  -6.003  -2.884  -3.248
   32   1HG   GLN   4          1HG       GLN   4  -3.846  -2.615  -5.407
   33   2HG   GLN   4          2HG       GLN   4  -5.111  -3.807  -5.565
   34   1HE2  GLN   4          1HE2      GLN   4  -4.609  -0.278  -5.159
   35   2HE2  GLN   4          2HE2      GLN   4  -6.320   0.120  -5.699
   36    H    ARG   5           H        ARG   5  -5.987  -2.882  -1.354
   37    HA   ARG   5           HA       ARG   5  -5.288  -1.209   1.112
   38   1HB   ARG   5          1HB       ARG   5  -7.109   0.190   1.080
   39   2HB   ARG   5          2HB       ARG   5  -6.554   0.216  -0.545
   40   1HG   ARG   5          1HG       ARG   5  -8.574  -0.408  -1.374
   41   2HG   ARG   5          2HG       ARG   5  -8.631  -1.870  -0.431
   42   1HD   ARG   5          1HD       ARG   5  -9.547   0.932   0.523
   43   2HD   ARG   5          2HD       ARG   5 -10.609  -0.398   0.010
   44    HE   ARG   5           HE       ARG   5  -8.799  -1.354   2.133
   45   1HH1  ARG   5          2HH2      ARG   5 -11.567   0.750   1.821
   46   2HH1  ARG   5          1HH2      ARG   5 -11.995   0.582   3.592
   47   1HH2  ARG   5          2HH1      ARG   5  -9.324  -1.542   4.092
   48   2HH2  ARG   5          1HH1      ARG   5 -10.761  -0.678   4.823
   49    H    ASN   6           H        ASN   6  -5.782  -4.156   0.484
   50    HA   ASN   6           HA       ASN   6  -7.265  -4.837   3.058
   51   1HB   ASN   6          1HB       ASN   6  -8.300  -6.742   1.727
   52   2HB   ASN   6          2HB       ASN   6  -8.976  -5.154   1.511
   53   1HD2  ASN   6          1HD2      ASN   6  -9.140  -4.395  -0.614
   54   2HD2  ASN   6          2HD2      ASN   6  -8.486  -5.369  -2.032
   55    H    ILE   7           H        ILE   7  -5.510  -5.436   4.212
   56    HA   ILE   7           HA       ILE   7  -3.235  -6.801   2.928
   57    HB   ILE   7           HB       ILE   7  -2.832  -6.831   5.855
   58   1HG1  ILE   7          1HG1      ILE   7  -3.445  -4.049   4.785
   59   2HG1  ILE   7          2HG1      ILE   7  -4.401  -4.934   5.956
   60   1HG2  ILE   7          1HG2      ILE   7  -0.718  -5.730   5.237
   61   2HG2  ILE   7          2HG2      ILE   7  -1.055  -7.083   4.150
   62   3HG2  ILE   7          3HG2      ILE   7  -1.319  -5.419   3.596
   63   1HD1  ILE   7          1HD1      ILE   7  -2.413  -4.967   7.572
   64   2HD1  ILE   7          2HD1      ILE   7  -1.525  -3.933   6.427
   65   3HD1  ILE   7          3HD1      ILE   7  -3.009  -3.332   7.182
   66    H    ARG   8           H        ARG   8  -4.904  -7.833   5.864
   67    HA   ARG   8           HA       ARG   8  -4.648 -10.209   6.690
   68   1HB   ARG   8          1HB       ARG   8  -7.139 -10.918   6.046
   69   2HB   ARG   8          2HB       ARG   8  -6.701  -9.841   7.302
   70   1HG   ARG   8          1HG       ARG   8  -7.548  -8.907   4.492
   71   2HG   ARG   8          2HG       ARG   8  -8.671  -9.227   5.794
   72   1HD   ARG   8          1HD       ARG   8  -7.044  -6.809   5.266
   73   2HD   ARG   8          2HD       ARG   8  -8.622  -6.974   6.011
   74    HE   ARG   8           HE       ARG   8  -6.546  -7.898   7.900
   75   1HH1  ARG   8          2HH2      ARG   8  -7.939  -4.966   6.661
   76   2HH1  ARG   8          1HH2      ARG   8  -7.231  -3.974   8.025
   77   1HH2  ARG   8          2HH1      ARG   8  -5.735  -6.734   9.415
   78   2HH2  ARG   8          1HH1      ARG   8  -6.046  -4.946   9.495
   79    H    LYS   9           H        LYS   9  -3.050 -11.394   5.739
   80    HA   LYS   9           HA       LYS   9  -3.488 -12.864   3.214
   81   1HB   LYS   9          1HB       LYS   9  -1.298 -11.955   3.916
   82   2HB   LYS   9          2HB       LYS   9  -1.272 -12.992   5.330
   83   1HG   LYS   9          1HG       LYS   9   0.272 -13.790   3.674
   84   2HG   LYS   9          2HG       LYS   9  -0.918 -15.016   3.975
   85   1HD   LYS   9          1HD       LYS   9  -1.270 -13.107   1.567
   86   2HD   LYS   9          2HD       LYS   9  -0.036 -14.353   1.507
   87   1HE   LYS   9          1HE       LYS   9  -1.793 -16.158   1.988
   88   2HE   LYS   9          2HE       LYS   9  -3.054 -14.930   1.956
   89   1HZ   LYS   9          1HZ       LYS   9  -1.200 -15.534  -0.352
   90   2HZ   LYS   9          2HZ       LYS   9  -2.791 -15.939  -0.293
   91   3HZ   LYS   9          3HZ       LYS   9  -2.339 -14.359  -0.385
   92    H    VAL  10           H        VAL  10  -5.489 -13.621   4.039
   93    HA   VAL  10           HA       VAL  10  -5.325 -16.601   4.382
   94    HB   VAL  10           HB       VAL  10  -5.699 -14.878   6.637
   95   1HG1  VAL  10          1HG1      VAL  10  -7.855 -15.409   7.653
   96   2HG1  VAL  10          2HG1      VAL  10  -8.064 -14.399   6.219
   97   3HG1  VAL  10          3HG1      VAL  10  -8.434 -16.147   6.134
   98   1HG2  VAL  10          1HG2      VAL  10  -4.698 -17.094   6.643
   99   2HG2  VAL  10          2HG2      VAL  10  -5.933 -16.939   7.905
  100   3HG2  VAL  10          3HG2      VAL  10  -6.293 -17.862   6.410
  101    H    ARG  11           H        ARG  11  -7.850 -14.076   4.205
  102    HA   ARG  11           HA       ARG  11  -9.676 -13.791   2.734
  103   1HB   ARG  11          1HB       ARG  11  -7.663 -14.805   0.678
  104   2HB   ARG  11          2HB       ARG  11  -9.109 -13.902   0.313
  105   1HG   ARG  11          1HG       ARG  11  -6.648 -12.859   1.836
  106   2HG   ARG  11          2HG       ARG  11  -7.106 -12.461   0.200
  107   1HD   ARG  11          1HD       ARG  11  -8.650 -11.651   2.753
  108   2HD   ARG  11          2HD       ARG  11  -7.584 -10.608   1.870
  109    HE   ARG  11           HE       ARG  11 -10.393 -11.400   1.070
  110   1HH1  ARG  11          2HH2      ARG  11  -7.457  -9.962  -0.097
  111   2HH1  ARG  11          1HH2      ARG  11  -8.321  -9.064  -1.423
  112   1HH2  ARG  11          2HH1      ARG  11 -11.352 -10.439  -0.494
  113   2HH2  ARG  11          1HH1      ARG  11 -10.418  -9.433  -1.689
  114   1HN   NH2  12          1HN       NH2  12 -11.343 -17.018   2.801
  115   2HN   NH2  12          2HN       NH2  12 -10.647 -15.812   4.001
  116   1H2   DAO  13          1H2       DAO  13  -1.870  -0.511   0.928
  117   2H2   DAO  13          2H2       DAO  13  -1.179   0.266   2.336
  118   1H3   DAO  13          1H3       DAO  13  -3.546   1.319   0.686
  119   2H3   DAO  13          2H3       DAO  13  -3.634   0.444   2.218
  120   1H4   DAO  13          1H4       DAO  13  -2.159   2.356   3.235
  121   2H4   DAO  13          2H4       DAO  13  -2.435   3.246   1.739
  122   1H5   DAO  13          1H5       DAO  13  -4.556   2.289   3.766
  123   2H5   DAO  13          2H5       DAO  13  -5.020   2.905   2.194
  124   1H6   DAO  13          1H6       DAO  13  -5.079   4.561   4.196
  125   2H6   DAO  13          2H6       DAO  13  -3.332   4.518   4.221
  126   1H7   DAO  13          1H7       DAO  13  -4.020   6.519   3.053
  127   2H7   DAO  13          2H7       DAO  13  -3.280   5.472   1.854
  128   1H8   DAO  13          1H8       DAO  13  -5.525   4.785   0.993
  129   2H8   DAO  13          2H8       DAO  13  -6.340   5.654   2.295
  130   1H9   DAO  13          1H9       DAO  13  -4.567   7.014   0.156
  131   2H9   DAO  13          2H9       DAO  13  -5.470   7.841   1.426
  132   1H10  DAO  13          1H10      DAO  13  -6.681   6.112  -0.830
  133   2H10  DAO  13          2H10      DAO  13  -7.649   6.827   0.450
  134   1H11  DAO  13          1H11      DAO  13  -5.908   8.491  -1.500
  135   2H11  DAO  13          2H11      DAO  13  -7.586   8.074  -1.807
  136   1H12  DAO  13          1H12      DAO  13  -8.321   9.300   0.293
  137   2H12  DAO  13          2H12      DAO  13  -6.629   9.769   0.603
  138   3H12  DAO  13          3H12      DAO  13  -7.468  10.368  -0.845
  Start of MODEL    5
    1   1H    PHE   1          1H        PHE   1   4.081  -4.223   0.967
    2    HA   PHE   1           HA       PHE   1   5.401  -2.008   1.337
    3   1HB   PHE   1          1HB       PHE   1   5.385  -2.929  -1.556
    4   2HB   PHE   1          2HB       PHE   1   6.691  -2.378  -0.566
    5    HD1  PHE   1           HD1      PHE   1   5.156  -5.233  -1.984
    6    HD2  PHE   1           HD2      PHE   1   7.284  -4.028   1.557
    7    HE1  PHE   1           HE1      PHE   1   5.698  -7.569  -1.517
    8    HE2  PHE   1           HE2      PHE   1   7.817  -6.379   2.022
    9    HZ   PHE   1           HZ       PHE   1   7.035  -8.165   0.489
   10    H    GLN   2           H        GLN   2   3.425  -2.099  -1.570
   11    HA   GLN   2           HA       GLN   2   2.249   0.637  -1.063
   12   1HB   GLN   2          1HB       GLN   2   3.940   0.291  -3.595
   13   2HB   GLN   2          2HB       GLN   2   2.932   1.685  -3.173
   14   1HG   GLN   2          1HG       GLN   2   4.360   2.100  -1.131
   15   2HG   GLN   2          2HG       GLN   2   5.437   0.809  -1.625
   16   1HE2  GLN   2          1HE2      GLN   2   6.875   1.207  -3.413
   17   2HE2  GLN   2          2HE2      GLN   2   7.065   2.924  -4.057
   18    H    TRP   3           H        TRP   3   1.339  -1.961  -1.520
   19    HA   TRP   3           HA       TRP   3  -0.515  -2.186  -3.819
   20   1HB   TRP   3          1HB       TRP   3  -1.388  -4.012  -2.647
   21   2HB   TRP   3          2HB       TRP   3   0.273  -4.057  -2.253
   22    HD1  TRP   3           HD1      TRP   3  -2.203  -5.456  -0.715
   23    HE1  TRP   3           HE1      TRP   3  -2.804  -5.080   1.799
   24    HE3  TRP   3           HE3      TRP   3   0.623  -1.138   0.079
   25    HZ2  TRP   3           HZ2      TRP   3  -2.429  -2.958   3.595
   26    HZ3  TRP   3           HZ3      TRP   3   0.472  -0.105   2.273
   27    HH2  TRP   3           HH2      TRP   3  -1.030  -0.955   4.003
   28    H    GLN   4           H        GLN   4  -2.924  -2.391  -3.344
   29    HA   GLN   4           HA       GLN   4  -4.099   0.084  -2.043
   30   1HB   GLN   4          1HB       GLN   4  -5.160  -2.166  -3.839
   31   2HB   GLN   4          2HB       GLN   4  -6.314  -1.332  -2.855
   32   1HG   GLN   4          1HG       GLN   4  -4.434   0.510  -4.369
   33   2HG   GLN   4          2HG       GLN   4  -5.470  -0.513  -5.323
   34   1HE2  GLN   4          1HE2      GLN   4  -6.174   1.169  -2.202
   35   2HE2  GLN   4          2HE2      GLN   4  -7.609   2.058  -2.928
   36    H    ARG   5           H        ARG   5  -5.866  -2.830  -1.559
   37    HA   ARG   5           HA       ARG   5  -5.256  -2.893   1.436
   38   1HB   ARG   5          1HB       ARG   5  -6.757  -0.957   1.059
   39   2HB   ARG   5          2HB       ARG   5  -7.939  -1.967   0.259
   40   1HG   ARG   5          1HG       ARG   5  -8.908  -2.558   2.182
   41   2HG   ARG   5          2HG       ARG   5  -7.443  -3.190   2.875
   42   1HD   ARG   5          1HD       ARG   5  -8.104  -0.166   2.926
   43   2HD   ARG   5          2HD       ARG   5  -8.696  -1.239   4.158
   44    HE   ARG   5           HE       ARG   5  -5.812  -0.392   3.742
   45   1HH1  ARG   5          2HH2      ARG   5  -7.879  -2.599   5.443
   46   2HH1  ARG   5          1HH2      ARG   5  -6.652  -2.859   6.777
   47   1HH2  ARG   5          2HH1      ARG   5  -4.447  -0.679   5.274
   48   2HH2  ARG   5          1HH1      ARG   5  -4.796  -1.809   6.658
   49    H    ASN   6           H        ASN   6  -4.554  -4.892   0.461
   50    HA   ASN   6           HA       ASN   6  -6.290  -6.995   1.641
   51   1HB   ASN   6          1HB       ASN   6  -7.169  -6.956  -0.751
   52   2HB   ASN   6          2HB       ASN   6  -5.591  -7.413  -1.347
   53   1HD2  ASN   6          1HD2      ASN   6  -4.896  -9.603  -0.841
   54   2HD2  ASN   6          2HD2      ASN   6  -6.154 -10.834  -0.293
   55    H    ILE   7           H        ILE   7  -4.503  -6.933   3.098
   56    HA   ILE   7           HA       ILE   7  -1.809  -7.833   2.049
   57    HB   ILE   7           HB       ILE   7  -1.459  -7.471   4.866
   58   1HG1  ILE   7          1HG1      ILE   7  -2.987  -5.080   3.799
   59   2HG1  ILE   7          2HG1      ILE   7  -3.475  -6.150   5.088
   60   1HG2  ILE   7          1HG2      ILE   7   0.231  -7.250   3.086
   61   2HG2  ILE   7          2HG2      ILE   7  -0.462  -5.676   2.626
   62   3HG2  ILE   7          3HG2      ILE   7   0.226  -5.922   4.247
   63   1HD1  ILE   7          1HD1      ILE   7  -1.484  -5.357   6.497
   64   2HD1  ILE   7          2HD1      ILE   7  -1.054  -4.224   5.197
   65   3HD1  ILE   7          3HD1      ILE   7  -2.593  -4.039   6.052
   66    H    ARG   8           H        ARG   8  -3.700  -8.499   4.903
   67    HA   ARG   8           HA       ARG   8  -2.494 -11.250   5.196
   68   1HB   ARG   8          1HB       ARG   8  -3.410 -11.127   7.550
   69   2HB   ARG   8          2HB       ARG   8  -2.087 -10.134   7.062
   70   1HG   ARG   8          1HG       ARG   8  -4.100  -8.228   6.730
   71   2HG   ARG   8          2HG       ARG   8  -4.940  -9.296   7.805
   72   1HD   ARG   8          1HD       ARG   8  -3.831  -7.458   9.021
   73   2HD   ARG   8          2HD       ARG   8  -3.095  -9.000   9.525
   74    HE   ARG   8           HE       ARG   8  -1.473  -8.188   7.354
   75   1HH1  ARG   8          2HH2      ARG   8  -2.287  -6.777  10.441
   76   2HH1  ARG   8          1HH2      ARG   8  -0.681  -5.912  10.572
   77   1HH2  ARG   8          2HH1      ARG   8   0.361  -7.145   7.538
   78   2HH2  ARG   8          1HH1      ARG   8   0.730  -6.131   9.001
   79    H    LYS   9           H        LYS   9  -3.667 -12.482   3.762
   80    HA   LYS   9           HA       LYS   9  -6.637 -12.513   3.637
   81   1HB   LYS   9          1HB       LYS   9  -4.984 -12.898   1.731
   82   2HB   LYS   9          2HB       LYS   9  -4.630 -14.482   2.417
   83   1HG   LYS   9          1HG       LYS   9  -7.147 -15.042   2.178
   84   2HG   LYS   9          2HG       LYS   9  -7.386 -13.512   1.358
   85   1HD   LYS   9          1HD       LYS   9  -5.476 -15.773   0.435
   86   2HD   LYS   9          2HD       LYS   9  -7.130 -15.579  -0.119
   87   1HE   LYS   9          1HE       LYS   9  -6.569 -13.304  -1.122
   88   2HE   LYS   9          2HE       LYS   9  -4.892 -13.475  -0.583
   89   1HZ   LYS   9          1HZ       LYS   9  -4.729 -15.556  -1.961
   90   2HZ   LYS   9          2HZ       LYS   9  -6.276 -15.393  -2.467
   91   3HZ   LYS   9          3HZ       LYS   9  -5.146 -14.291  -2.924
   92    H    VAL  10           H        VAL  10  -6.552 -12.821   6.048
   93    HA   VAL  10           HA       VAL  10  -7.373 -15.691   6.729
   94    HB   VAL  10           HB       VAL  10  -6.318 -15.474   9.021
   95   1HG1  VAL  10          1HG1      VAL  10  -4.108 -16.331   8.322
   96   2HG1  VAL  10          2HG1      VAL  10  -5.372 -16.972   7.257
   97   3HG1  VAL  10          3HG1      VAL  10  -4.319 -15.661   6.687
   98   1HG2  VAL  10          1HG2      VAL  10  -4.544 -13.263   7.792
   99   2HG2  VAL  10          2HG2      VAL  10  -5.671 -13.040   9.156
  100   3HG2  VAL  10          3HG2      VAL  10  -4.262 -14.084   9.340
  101    H    ARG  11           H        ARG  11  -7.359 -12.516   8.357
  102    HA   ARG  11           HA       ARG  11  -9.110 -11.248   9.323
  103   1HB   ARG  11          1HB       ARG  11 -10.616 -12.447   6.949
  104   2HB   ARG  11          2HB       ARG  11 -11.164 -11.056   7.835
  105   1HG   ARG  11          1HG       ARG  11  -8.497 -11.165   6.280
  106   2HG   ARG  11          2HG       ARG  11  -9.988 -10.578   5.608
  107   1HD   ARG  11          1HD       ARG  11  -8.621  -9.273   8.083
  108   2HD   ARG  11          2HD       ARG  11  -8.313  -8.815   6.437
  109    HE   ARG  11           HE       ARG  11 -10.606  -7.962   6.119
  110   1HH1  ARG  11          2HH2      ARG  11 -10.094  -9.002   9.398
  111   2HH1  ARG  11          1HH2      ARG  11 -11.548  -8.068   9.994
  112   1HH2  ARG  11          2HH1      ARG  11 -12.235  -6.914   6.829
  113   2HH2  ARG  11          1HH1      ARG  11 -12.685  -6.950   8.590
  114   1HN   NH2  12          1HN       NH2  12 -10.685 -13.694  11.570
  115   2HN   NH2  12          2HN       NH2  12  -8.962 -13.329  11.053
  116   1H2   DAO  13          1H2       DAO  13   1.282  -3.312   3.064
  117   2H2   DAO  13          2H2       DAO  13   2.158  -4.728   2.577
  118   1H3   DAO  13          1H3       DAO  13   2.967  -3.410   5.254
  119   2H3   DAO  13          2H3       DAO  13   1.459  -4.292   5.193
  120   1H4   DAO  13          1H4       DAO  13   2.633  -6.337   4.319
  121   2H4   DAO  13          2H4       DAO  13   4.173  -5.507   4.341
  122   1H5   DAO  13          1H5       DAO  13   2.761  -5.408   7.014
  123   2H5   DAO  13          2H5       DAO  13   4.454  -5.664   6.634
  124   1H6   DAO  13          1H6       DAO  13   2.167  -7.727   6.390
  125   2H6   DAO  13          2H6       DAO  13   3.789  -8.060   5.812
  126   1H7   DAO  13          1H7       DAO  13   4.772  -8.085   7.961
  127   2H7   DAO  13          2H7       DAO  13   3.492  -7.170   8.735
  128   1H8   DAO  13          1H8       DAO  13   1.972  -8.996   8.817
  129   2H8   DAO  13          2H8       DAO  13   2.758  -9.904   7.547
  130   1H9   DAO  13          1H9       DAO  13   3.024 -10.642  10.097
  131   2H9   DAO  13          2H9       DAO  13   4.204  -9.362  10.215
  132   1H10  DAO  13          1H10      DAO  13   5.475 -10.450   8.234
  133   2H10  DAO  13          2H10      DAO  13   5.497 -11.320   9.750
  134   1H11  DAO  13          1H11      DAO  13   3.574 -12.010   7.422
  135   2H11  DAO  13          2H11      DAO  13   5.141 -12.751   7.666
  136   1H12  DAO  13          1H12      DAO  13   4.407 -13.673   9.911
  137   2H12  DAO  13          2H12      DAO  13   2.800 -12.936   9.689
  138   3H12  DAO  13          3H12      DAO  13   3.348 -14.220   8.592
  Start of MODEL    6
    1   1H    PHE   1          1H        PHE   1   1.363   2.008   2.077
    2    HA   PHE   1           HA       PHE   1   1.062   3.164  -0.311
    3   1HB   PHE   1          1HB       PHE   1   3.861   2.237   0.506
    4   2HB   PHE   1          2HB       PHE   1   3.381   3.692  -0.306
    5    HD1  PHE   1           HD1      PHE   1   4.116   2.184   2.876
    6    HD2  PHE   1           HD2      PHE   1   1.916   5.432   1.112
    7    HE1  PHE   1           HE1      PHE   1   3.944   3.250   5.064
    8    HE2  PHE   1           HE2      PHE   1   1.744   6.499   3.311
    9    HZ   PHE   1           HZ       PHE   1   2.758   5.425   5.308
   10    H    GLN   2           H        GLN   2   3.024   0.219   0.013
   11    HA   GLN   2           HA       GLN   2   2.932  -0.387  -2.924
   12   1HB   GLN   2          1HB       GLN   2   4.894  -0.898  -1.435
   13   2HB   GLN   2          2HB       GLN   2   3.947  -2.115  -0.583
   14   1HG   GLN   2          1HG       GLN   2   3.745  -3.452  -2.745
   15   2HG   GLN   2          2HG       GLN   2   4.590  -2.183  -3.611
   16   1HE2  GLN   2          1HE2      GLN   2   5.025  -4.696  -1.156
   17   2HE2  GLN   2          2HE2      GLN   2   6.855  -4.737  -1.391
   18    H    TRP   3           H        TRP   3   1.013  -1.561  -0.190
   19    HA   TRP   3           HA       TRP   3  -0.513  -3.442  -2.035
   20   1HB   TRP   3          1HB       TRP   3  -1.440  -4.571  -0.245
   21   2HB   TRP   3          2HB       TRP   3   0.208  -4.381   0.187
   22    HD1  TRP   3           HD1      TRP   3  -3.320  -3.716   1.301
   23    HE1  TRP   3           HE1      TRP   3  -3.549  -2.488   3.636
   24    HE3  TRP   3           HE3      TRP   3   1.608  -2.595   1.829
   25    HZ2  TRP   3           HZ2      TRP   3  -1.644  -1.490   5.463
   26    HZ3  TRP   3           HZ3      TRP   3   2.380  -1.582   3.963
   27    HH2  TRP   3           HH2      TRP   3   0.780  -1.029   5.746
   28    H    GLN   4           H        GLN   4  -2.764  -3.363  -2.005
   29    HA   GLN   4           HA       GLN   4  -4.075  -0.664  -1.337
   30   1HB   GLN   4          1HB       GLN   4  -5.142  -0.357  -3.371
   31   2HB   GLN   4          2HB       GLN   4  -3.452  -0.576  -3.658
   32   1HG   GLN   4          1HG       GLN   4  -3.872  -2.136  -5.230
   33   2HG   GLN   4          2HG       GLN   4  -4.501  -3.243  -4.059
   34   1HE2  GLN   4          1HE2      GLN   4  -6.874  -2.413  -3.370
   35   2HE2  GLN   4          2HE2      GLN   4  -7.942  -2.038  -4.826
   36    H    ARG   5           H        ARG   5  -5.174  -3.957  -2.239
   37    HA   ARG   5           HA       ARG   5  -6.975  -3.817   0.231
   38   1HB   ARG   5          1HB       ARG   5  -8.304  -3.103  -1.760
   39   2HB   ARG   5          2HB       ARG   5  -8.062  -4.677  -2.509
   40   1HG   ARG   5          1HG       ARG   5  -9.344  -5.813  -0.791
   41   2HG   ARG   5          2HG       ARG   5  -9.279  -4.477   0.328
   42   1HD   ARG   5          1HD       ARG   5 -10.760  -4.358  -2.400
   43   2HD   ARG   5          2HD       ARG   5 -11.534  -4.857  -0.882
   44    HE   ARG   5           HE       ARG   5 -10.242  -2.331  -0.319
   45   1HH1  ARG   5          2HH2      ARG   5 -12.840  -3.432  -2.357
   46   2HH1  ARG   5          1HH2      ARG   5 -13.700  -1.819  -2.281
   47   1HH2  ARG   5          2HH1      ARG   5 -11.266  -0.513  -0.224
   48   2HH2  ARG   5          1HH1      ARG   5 -12.831  -0.255  -1.118
   49    H    ASN   6           H        ASN   6  -4.707  -4.996   0.323
   50    HA   ASN   6           HA       ASN   6  -5.464  -7.574   1.479
   51   1HB   ASN   6          1HB       ASN   6  -5.183  -8.329  -0.957
   52   2HB   ASN   6          2HB       ASN   6  -3.491  -7.916  -0.887
   53   1HD2  ASN   6          1HD2      ASN   6  -2.134  -9.297   0.453
   54   2HD2  ASN   6          2HD2      ASN   6  -2.773 -10.947   0.966
   55    H    ILE   7           H        ILE   7  -4.497  -6.827   3.478
   56    HA   ILE   7           HA       ILE   7  -1.586  -6.179   3.479
   57    HB   ILE   7           HB       ILE   7  -2.234  -4.577   4.774
   58   1HG1  ILE   7          1HG1      ILE   7  -3.100  -6.357   7.040
   59   2HG1  ILE   7          2HG1      ILE   7  -1.489  -6.489   6.398
   60   1HG2  ILE   7          1HG2      ILE   7  -4.667  -4.496   4.287
   61   2HG2  ILE   7          2HG2      ILE   7  -4.997  -5.712   5.547
   62   3HG2  ILE   7          3HG2      ILE   7  -4.374  -4.103   5.980
   63   1HD1  ILE   7          1HD1      ILE   7  -0.994  -4.052   6.852
   64   2HD1  ILE   7          2HD1      ILE   7  -2.625  -3.840   7.531
   65   3HD1  ILE   7          3HD1      ILE   7  -1.453  -4.908   8.339
   66    H    ARG   8           H        ARG   8  -3.937  -8.048   5.386
   67    HA   ARG   8           HA       ARG   8  -2.065 -10.480   5.547
   68   1HB   ARG   8          1HB       ARG   8  -3.089 -11.030   7.596
   69   2HB   ARG   8          2HB       ARG   8  -2.483  -9.412   7.689
   70   1HG   ARG   8          1HG       ARG   8  -4.575  -8.412   7.949
   71   2HG   ARG   8          2HG       ARG   8  -5.421  -9.517   6.903
   72   1HD   ARG   8          1HD       ARG   8  -4.452 -10.242   9.758
   73   2HD   ARG   8          2HD       ARG   8  -6.106  -9.727   9.339
   74    HE   ARG   8           HE       ARG   8  -5.385 -11.875   7.517
   75   1HH1  ARG   8          2HH2      ARG   8  -5.742 -11.616  10.975
   76   2HH1  ARG   8          1HH2      ARG   8  -6.385 -13.322  11.131
   77   1HH2  ARG   8          2HH1      ARG   8  -6.372 -13.676   7.704
   78   2HH2  ARG   8          1HH1      ARG   8  -6.688 -14.474   9.334
   79    H    LYS   9           H        LYS   9  -2.961 -12.579   5.429
   80    HA   LYS   9           HA       LYS   9  -4.732 -13.182   3.271
   81   1HB   LYS   9          1HB       LYS   9  -3.148 -14.766   4.215
   82   2HB   LYS   9          2HB       LYS   9  -3.955 -14.838   5.762
   83   1HG   LYS   9          1HG       LYS   9  -5.459 -15.719   3.222
   84   2HG   LYS   9          2HG       LYS   9  -4.217 -16.760   3.889
   85   1HD   LYS   9          1HD       LYS   9  -5.380 -17.021   6.046
   86   2HD   LYS   9          2HD       LYS   9  -6.488 -15.726   5.689
   87   1HE   LYS   9          1HE       LYS   9  -7.801 -17.660   5.415
   88   2HE   LYS   9          2HE       LYS   9  -7.537 -17.043   3.798
   89   1HZ   LYS   9          1HZ       LYS   9  -7.112 -19.506   3.905
   90   2HZ   LYS   9          2HZ       LYS   9  -5.703 -18.746   3.532
   91   3HZ   LYS   9          3HZ       LYS   9  -5.949 -19.306   5.051
   92    H    VAL  10           H        VAL  10  -6.872 -13.186   2.957
   93    HA   VAL  10           HA       VAL  10  -8.634 -11.833   4.604
   94    HB   VAL  10           HB       VAL  10 -10.546 -12.596   3.216
   95   1HG1  VAL  10          1HG1      VAL  10  -9.802 -11.600   1.091
   96   2HG1  VAL  10          2HG1      VAL  10  -9.116 -10.694   2.451
   97   3HG1  VAL  10          3HG1      VAL  10  -8.092 -11.812   1.525
   98   1HG2  VAL  10          1HG2      VAL  10  -9.937 -14.986   2.730
   99   2HG2  VAL  10          2HG2      VAL  10 -10.274 -14.071   1.250
  100   3HG2  VAL  10          3HG2      VAL  10  -8.594 -14.443   1.696
  101    H    ARG  11           H        ARG  11 -10.332 -12.151   5.948
  102    HA   ARG  11           HA       ARG  11 -10.234 -14.694   7.610
  103   1HB   ARG  11          1HB       ARG  11 -11.241 -13.478   9.440
  104   2HB   ARG  11          2HB       ARG  11  -9.701 -12.820   8.975
  105   1HG   ARG  11          1HG       ARG  11 -12.248 -11.499   7.878
  106   2HG   ARG  11          2HG       ARG  11 -11.905 -11.279   9.557
  107   1HD   ARG  11          1HD       ARG  11  -9.650 -10.700   7.525
  108   2HD   ARG  11          2HD       ARG  11 -11.023  -9.588   7.646
  109    HE   ARG  11           HE       ARG  11  -9.970 -10.164  10.349
  110   1HH1  ARG  11          2HH2      ARG  11  -9.299  -8.227   7.537
  111   2HH1  ARG  11          1HH2      ARG  11  -8.516  -6.911   8.537
  112   1HH2  ARG  11          2HH1      ARG  11  -9.084  -8.643  11.455
  113   2HH2  ARG  11          1HH1      ARG  11  -8.397  -7.166  10.647
  114   1HN   NH2  12          1HN       NH2  12 -13.615 -15.625   6.865
  115   2HN   NH2  12          2HN       NH2  12 -11.987 -16.121   7.562
  116   1H2   DAO  13          1H2       DAO  13  -1.508  -0.036   1.620
  117   2H2   DAO  13          2H2       DAO  13  -0.757   0.751   2.986
  118   1H3   DAO  13          1H3       DAO  13  -3.526   1.466   1.816
  119   2H3   DAO  13          2H3       DAO  13  -3.231   0.399   3.187
  120   1H4   DAO  13          1H4       DAO  13  -2.011   2.381   4.345
  121   2H4   DAO  13          2H4       DAO  13  -2.624   3.421   3.059
  122   1H5   DAO  13          1H5       DAO  13  -4.321   1.727   5.011
  123   2H5   DAO  13          2H5       DAO  13  -5.029   2.633   3.686
  124   1H6   DAO  13          1H6       DAO  13  -5.089   3.703   6.043
  125   2H6   DAO  13          2H6       DAO  13  -3.353   3.951   5.933
  126   1H7   DAO  13          1H7       DAO  13  -3.673   5.442   3.919
  127   2H7   DAO  13          2H7       DAO  13  -5.378   5.038   3.870
  128   1H8   DAO  13          1H8       DAO  13  -5.299   7.186   4.798
  129   2H8   DAO  13          2H8       DAO  13  -5.726   6.157   6.137
  130   1H9   DAO  13          1H9       DAO  13  -3.866   8.142   6.285
  131   2H9   DAO  13          2H9       DAO  13  -2.776   6.931   5.666
  132   1H10  DAO  13          1H10      DAO  13  -3.390   5.439   7.701
  133   2H10  DAO  13          2H10      DAO  13  -2.495   6.912   8.026
  134   1H11  DAO  13          1H11      DAO  13  -4.700   8.091   8.633
  135   2H11  DAO  13          2H11      DAO  13  -5.534   6.550   8.440
  136   1H12  DAO  13          1H12      DAO  13  -4.062   5.529  10.267
  137   2H12  DAO  13          2H12      DAO  13  -3.249   7.104  10.466
  138   3H12  DAO  13          3H12      DAO  13  -4.977   6.940  10.850
  Start of MODEL    7
    1   1H    PHE   1          1H        PHE   1   2.385   0.941   1.560
    2    HA   PHE   1           HA       PHE   1   2.448   1.808  -0.946
    3   1HB   PHE   1          1HB       PHE   1   4.883   0.266   0.076
    4   2HB   PHE   1          2HB       PHE   1   4.823   1.681  -0.927
    5    HD1  PHE   1           HD1      PHE   1   5.187   0.479   2.423
    6    HD2  PHE   1           HD2      PHE   1   3.794   3.903   0.223
    7    HE1  PHE   1           HE1      PHE   1   5.270   1.817   4.461
    8    HE2  PHE   1           HE2      PHE   1   3.874   5.243   2.272
    9    HZ   PHE   1           HZ       PHE   1   4.617   4.220   4.410
   10    H    GLN   2           H        GLN   2   3.500  -1.499  -0.222
   11    HA   GLN   2           HA       GLN   2   3.201  -2.423  -3.068
   12   1HB   GLN   2          1HB       GLN   2   4.947  -3.297  -1.459
   13   2HB   GLN   2          2HB       GLN   2   3.688  -4.079  -0.513
   14   1HG   GLN   2          1HG       GLN   2   3.084  -5.509  -2.509
   15   2HG   GLN   2          2HG       GLN   2   4.282  -4.666  -3.492
   16   1HE2  GLN   2          1HE2      GLN   2   4.485  -7.271  -3.465
   17   2HE2  GLN   2          2HE2      GLN   2   5.934  -7.771  -2.436
   18    H    TRP   3           H        TRP   3   1.081  -2.626  -0.238
   19    HA   TRP   3           HA       TRP   3  -0.964  -4.212  -1.847
   20   1HB   TRP   3          1HB       TRP   3  -2.125  -4.802   0.070
   21   2HB   TRP   3          2HB       TRP   3  -0.477  -5.064   0.461
   22    HD1  TRP   3           HD1      TRP   3  -3.606  -3.276   1.557
   23    HE1  TRP   3           HE1      TRP   3  -3.344  -1.848   3.773
   24    HE3  TRP   3           HE3      TRP   3   1.465  -3.505   1.788
   25    HZ2  TRP   3           HZ2      TRP   3  -1.114  -1.215   5.408
   26    HZ3  TRP   3           HZ3      TRP   3   2.627  -2.519   3.744
   27    HH2  TRP   3           HH2      TRP   3   1.356  -1.389   5.524
   28    H    GLN   4           H        GLN   4  -3.123  -3.504  -1.801
   29    HA   GLN   4           HA       GLN   4  -3.612  -0.501  -1.367
   30   1HB   GLN   4          1HB       GLN   4  -4.725  -0.103  -3.366
   31   2HB   GLN   4          2HB       GLN   4  -3.160  -0.755  -3.700
   32   1HG   GLN   4          1HG       GLN   4  -4.037  -2.276  -5.105
   33   2HG   GLN   4          2HG       GLN   4  -4.840  -3.105  -3.818
   34   1HE2  GLN   4          1HE2      GLN   4  -6.884  -1.543  -3.117
   35   2HE2  GLN   4          2HE2      GLN   4  -7.920  -1.111  -4.578
   36    H    ARG   5           H        ARG   5  -5.701  -3.323  -2.052
   37    HA   ARG   5           HA       ARG   5  -7.091  -2.724   0.619
   38   1HB   ARG   5          1HB       ARG   5  -8.445  -1.763  -1.226
   39   2HB   ARG   5          2HB       ARG   5  -8.620  -3.351  -1.965
   40   1HG   ARG   5          1HG       ARG   5  -9.929  -4.204  -0.116
   41   2HG   ARG   5          2HG       ARG   5  -9.472  -2.926   0.979
   42   1HD   ARG   5          1HD       ARG   5 -11.157  -2.441  -1.585
   43   2HD   ARG   5          2HD       ARG   5 -11.869  -2.824  -0.004
   44    HE   ARG   5           HE       ARG   5 -10.040  -0.625   0.452
   45   1HH1  ARG   5          2HH2      ARG   5 -13.009  -1.126  -1.291
   46   2HH1  ARG   5          1HH2      ARG   5 -13.534   0.613  -1.070
   47   1HH2  ARG   5          2HH1      ARG   5 -10.682   1.342   0.719
   48   2HH2  ARG   5          1HH1      ARG   5 -12.259   1.930   0.024
   49    H    ASN   6           H        ASN   6  -5.188  -4.339   0.703
   50    HA   ASN   6           HA       ASN   6  -6.441  -6.752   1.790
   51   1HB   ASN   6          1HB       ASN   6  -5.926  -7.213  -0.915
   52   2HB   ASN   6          2HB       ASN   6  -4.385  -7.677  -0.282
   53   1HD2  ASN   6          1HD2      ASN   6  -7.848  -8.274  -0.082
   54   2HD2  ASN   6          2HD2      ASN   6  -7.653 -10.028   0.458
   55    H    ILE   7           H        ILE   7  -5.405  -5.708   3.744
   56    HA   ILE   7           HA       ILE   7  -2.487  -5.802   3.955
   57    HB   ILE   7           HB       ILE   7  -3.048  -4.052   5.101
   58   1HG1  ILE   7          1HG1      ILE   7  -3.875  -4.389   7.495
   59   2HG1  ILE   7          2HG1      ILE   7  -3.858  -6.093   7.171
   60   1HG2  ILE   7          1HG2      ILE   7  -5.401  -3.754   4.413
   61   2HG2  ILE   7          2HG2      ILE   7  -5.951  -4.830   5.730
   62   3HG2  ILE   7          3HG2      ILE   7  -5.168  -3.271   6.083
   63   1HD1  ILE   7          1HD1      ILE   7  -1.329  -5.929   6.626
   64   2HD1  ILE   7          2HD1      ILE   7  -1.397  -4.185   6.968
   65   3HD1  ILE   7          3HD1      ILE   7  -1.690  -5.359   8.271
   66    H    ARG   8           H        ARG   8  -5.242  -7.743   5.087
   67    HA   ARG   8           HA       ARG   8  -3.503  -9.577   6.721
   68   1HB   ARG   8          1HB       ARG   8  -6.500  -9.952   6.092
   69   2HB   ARG   8          2HB       ARG   8  -5.571 -10.722   7.348
   70   1HG   ARG   8          1HG       ARG   8  -5.244  -7.972   8.023
   71   2HG   ARG   8          2HG       ARG   8  -6.788  -7.961   7.235
   72   1HD   ARG   8          1HD       ARG   8  -7.339  -8.236   9.511
   73   2HD   ARG   8          2HD       ARG   8  -7.543  -9.879   8.871
   74    HE   ARG   8           HE       ARG   8  -4.787  -9.721   9.733
   75   1HH1  ARG   8          2HH2      ARG   8  -7.861  -9.391  11.324
   76   2HH1  ARG   8          1HH2      ARG   8  -7.150  -9.836  12.951
   77   1HH2  ARG   8          2HH1      ARG   8  -4.013 -10.220  11.588
   78   2HH2  ARG   8          1HH1      ARG   8  -5.069 -10.289  13.067
   79    H    LYS   9           H        LYS   9  -3.335 -11.870   6.344
   80    HA   LYS   9           HA       LYS   9  -2.917 -12.553   3.461
   81   1HB   LYS   9          1HB       LYS   9  -2.484 -14.202   5.999
   82   2HB   LYS   9          2HB       LYS   9  -2.075 -14.777   4.412
   83   1HG   LYS   9          1HG       LYS   9  -0.812 -12.154   5.465
   84   2HG   LYS   9          2HG       LYS   9  -0.243 -13.713   5.992
   85   1HD   LYS   9          1HD       LYS   9   1.221 -13.072   4.277
   86   2HD   LYS   9          2HD       LYS   9   0.285 -14.412   3.639
   87   1HE   LYS   9          1HE       LYS   9  -1.113 -12.845   2.249
   88   2HE   LYS   9          2HE       LYS   9  -0.369 -11.433   3.011
   89   1HZ   LYS   9          1HZ       LYS   9   1.139 -13.496   1.384
   90   2HZ   LYS   9          2HZ       LYS   9   0.737 -11.997   0.840
   91   3HZ   LYS   9          3HZ       LYS   9   1.823 -12.171   2.061
   92    H    VAL  10           H        VAL  10  -5.095 -12.296   2.847
   93    HA   VAL  10           HA       VAL  10  -7.159 -12.985   2.110
   94    HB   VAL  10           HB       VAL  10  -7.635 -15.178   1.284
   95   1HG1  VAL  10          1HG1      VAL  10  -5.850 -15.462  -0.364
   96   2HG1  VAL  10          2HG1      VAL  10  -6.138 -13.731  -0.093
   97   3HG1  VAL  10          3HG1      VAL  10  -4.714 -14.517   0.626
   98   1HG2  VAL  10          1HG2      VAL  10  -5.063 -16.305   2.542
   99   2HG2  VAL  10          2HG2      VAL  10  -6.703 -16.639   3.132
  100   3HG2  VAL  10          3HG2      VAL  10  -6.222 -17.164   1.505
  101    H    ARG  11           H        ARG  11  -9.019 -14.955   2.666
  102    HA   ARG  11           HA       ARG  11  -9.293 -15.260   5.548
  103   1HB   ARG  11          1HB       ARG  11 -10.191 -12.752   5.008
  104   2HB   ARG  11          2HB       ARG  11 -11.645 -13.583   4.530
  105   1HG   ARG  11          1HG       ARG  11 -12.025 -13.075   6.831
  106   2HG   ARG  11          2HG       ARG  11 -11.587 -14.771   6.882
  107   1HD   ARG  11          1HD       ARG  11  -9.058 -13.826   7.309
  108   2HD   ARG  11          2HD       ARG  11  -9.852 -12.306   7.579
  109    HE   ARG  11           HE       ARG  11 -10.892 -13.135   9.636
  110   1HH1  ARG  11          2HH2      ARG  11  -9.214 -15.730   8.036
  111   2HH1  ARG  11          1HH2      ARG  11  -9.214 -16.764   9.543
  112   1HH2  ARG  11          2HH1      ARG  11 -10.872 -14.332  11.332
  113   2HH2  ARG  11          1HH1      ARG  11 -10.119 -15.988  11.307
  114   1HN   NH2  12          1HN       NH2  12 -12.098 -17.094   3.217
  115   2HN   NH2  12          2HN       NH2  12 -11.629 -15.384   2.720
  116   1H2   DAO  13          1H2       DAO  13  -1.039  -0.301   1.241
  117   2H2   DAO  13          2H2       DAO  13   0.112   0.124   2.476
  118   1H3   DAO  13          1H3       DAO  13  -2.044   2.074   1.455
  119   2H3   DAO  13          2H3       DAO  13  -2.323   0.942   2.777
  120   1H4   DAO  13          1H4       DAO  13  -0.591   1.891   4.163
  121   2H4   DAO  13          2H4       DAO  13   0.054   2.914   2.893
  122   1H5   DAO  13          1H5       DAO  13  -1.431   4.049   4.701
  123   2H5   DAO  13          2H5       DAO  13  -2.825   3.264   3.971
  124   1H6   DAO  13          1H6       DAO  13  -0.866   5.184   2.520
  125   2H6   DAO  13          2H6       DAO  13  -2.250   4.418   1.744
  126   1H7   DAO  13          1H7       DAO  13  -3.818   5.582   3.347
  127   2H7   DAO  13          2H7       DAO  13  -2.445   6.322   4.171
  128   1H8   DAO  13          1H8       DAO  13  -1.795   7.534   2.033
  129   2H8   DAO  13          2H8       DAO  13  -3.108   6.736   1.183
  130   1H9   DAO  13          1H9       DAO  13  -4.783   7.842   2.787
  131   2H9   DAO  13          2H9       DAO  13  -3.950   8.896   1.658
  132   1H10  DAO  13          1H10      DAO  13  -3.030   8.538   4.576
  133   2H10  DAO  13          2H10      DAO  13  -2.364   9.681   3.423
  134   1H11  DAO  13          1H11      DAO  13  -5.283   9.694   4.467
  135   2H11  DAO  13          2H11      DAO  13  -3.977  10.664   5.128
  136   1H12  DAO  13          1H12      DAO  13  -5.351  12.061   3.597
  137   2H12  DAO  13          2H12      DAO  13  -3.721  11.883   2.904
  138   3H12  DAO  13          3H12      DAO  13  -5.083  10.938   2.247
  Start of MODEL    8
    1   1H    PHE   1          1H        PHE   1   3.842  -3.916   1.929
    2    HA   PHE   1           HA       PHE   1   5.061  -1.658   2.102
    3   1HB   PHE   1          1HB       PHE   1   5.421  -2.954  -0.624
    4   2HB   PHE   1          2HB       PHE   1   6.588  -2.248   0.437
    5    HD1  PHE   1           HD1      PHE   1   5.133  -5.305  -0.700
    6    HD2  PHE   1           HD2      PHE   1   7.057  -3.583   2.742
    7    HE1  PHE   1           HE1      PHE   1   5.626  -7.546   0.143
    8    HE2  PHE   1           HE2      PHE   1   7.543  -5.838   3.585
    9    HZ   PHE   1           HZ       PHE   1   6.837  -7.834   2.292
   10    H    GLN   2           H        GLN   2   3.452  -2.198  -0.982
   11    HA   GLN   2           HA       GLN   2   2.321   0.636  -1.041
   12   1HB   GLN   2          1HB       GLN   2   4.099  -0.294  -3.358
   13   2HB   GLN   2          2HB       GLN   2   3.223   1.238  -3.221
   14   1HG   GLN   2          1HG       GLN   2   4.637   1.802  -1.165
   15   2HG   GLN   2          2HG       GLN   2   5.618   0.386  -1.493
   16   1HE2  GLN   2          1HE2      GLN   2   6.798   0.387  -3.633
   17   2HE2  GLN   2          2HE2      GLN   2   7.260   2.042  -4.300
   18    H    TRP   3           H        TRP   3   1.441  -2.168  -1.291
   19    HA   TRP   3           HA       TRP   3  -0.228  -2.678  -3.633
   20   1HB   TRP   3          1HB       TRP   3  -1.217  -4.308  -2.289
   21   2HB   TRP   3          2HB       TRP   3   0.385  -4.259  -1.703
   22    HD1  TRP   3           HD1      TRP   3  -2.352  -5.362  -0.314
   23    HE1  TRP   3           HE1      TRP   3  -3.213  -4.615   2.048
   24    HE3  TRP   3           HE3      TRP   3   0.561  -1.076   0.182
   25    HZ2  TRP   3           HZ2      TRP   3  -2.891  -2.286   3.592
   26    HZ3  TRP   3           HZ3      TRP   3   0.249   0.257   2.202
   27    HH2  TRP   3           HH2      TRP   3  -1.455  -0.295   3.861
   28    H    GLN   4           H        GLN   4  -2.669  -2.860  -3.402
   29    HA   GLN   4           HA       GLN   4  -3.974  -0.216  -2.733
   30   1HB   GLN   4          1HB       GLN   4  -4.914  -2.811  -4.080
   31   2HB   GLN   4          2HB       GLN   4  -6.108  -1.686  -3.503
   32   1HG   GLN   4          1HG       GLN   4  -3.873  -0.521  -5.234
   33   2HG   GLN   4          2HG       GLN   4  -5.057  -1.568  -5.968
   34   1HE2  GLN   4          1HE2      GLN   4  -5.284   1.095  -3.524
   35   2HE2  GLN   4          2HE2      GLN   4  -6.651   1.910  -4.439
   36    H    ARG   5           H        ARG   5  -5.937  -2.891  -1.839
   37    HA   ARG   5           HA       ARG   5  -5.402  -2.413   1.125
   38   1HB   ARG   5          1HB       ARG   5  -7.006  -0.596   0.006
   39   2HB   ARG   5          2HB       ARG   5  -8.222  -1.841   0.073
   40   1HG   ARG   5          1HG       ARG   5  -6.840  -1.733   2.704
   41   2HG   ARG   5          2HG       ARG   5  -7.080  -0.099   2.166
   42   1HD   ARG   5          1HD       ARG   5  -8.970  -0.738   3.581
   43   2HD   ARG   5          2HD       ARG   5  -9.597  -0.547   1.926
   44    HE   ARG   5           HE       ARG   5  -8.812  -3.288   2.041
   45   1HH1  ARG   5          2HH2      ARG   5 -11.087  -1.347   3.838
   46   2HH1  ARG   5          1HH2      ARG   5 -12.161  -2.786   4.195
   47   1HH2  ARG   5          2HH1      ARG   5 -10.038  -4.878   2.456
   48   2HH2  ARG   5          1HH1      ARG   5 -11.572  -4.711   3.432
   49    H    ASN   6           H        ASN   6  -4.789  -4.574   0.450
   50    HA   ASN   6           HA       ASN   6  -6.636  -6.469   1.912
   51   1HB   ASN   6          1HB       ASN   6  -7.349  -6.710  -0.519
   52   2HB   ASN   6          2HB       ASN   6  -5.738  -7.234  -0.953
   53   1HD2  ASN   6          1HD2      ASN   6  -5.132  -9.390  -0.281
   54   2HD2  ASN   6          2HD2      ASN   6  -6.438 -10.556   0.294
   55    H    ILE   7           H        ILE   7  -4.985  -6.310   3.499
   56    HA   ILE   7           HA       ILE   7  -2.215  -7.278   2.743
   57    HB   ILE   7           HB       ILE   7  -2.133  -6.625   5.552
   58   1HG1  ILE   7          1HG1      ILE   7  -3.467  -4.351   4.070
   59   2HG1  ILE   7          2HG1      ILE   7  -4.117  -5.255   5.412
   60   1HG2  ILE   7          1HG2      ILE   7  -0.881  -5.146   3.214
   61   2HG2  ILE   7          2HG2      ILE   7  -0.336  -5.201   4.909
   62   3HG2  ILE   7          3HG2      ILE   7  -0.279  -6.665   3.921
   63   1HD1  ILE   7          1HD1      ILE   7  -1.675  -3.362   5.547
   64   2HD1  ILE   7          2HD1      ILE   7  -3.277  -3.080   6.234
   65   3HD1  ILE   7          3HD1      ILE   7  -2.234  -4.349   6.924
   66    H    ARG   8           H        ARG   8  -4.578  -7.835   5.220
   67    HA   ARG   8           HA       ARG   8  -3.176  -9.989   6.606
   68   1HB   ARG   8          1HB       ARG   8  -6.187  -9.352   6.685
   69   2HB   ARG   8          2HB       ARG   8  -5.308 -10.259   7.889
   70   1HG   ARG   8          1HG       ARG   8  -4.957  -7.229   7.308
   71   2HG   ARG   8          2HG       ARG   8  -5.905  -7.931   8.571
   72   1HD   ARG   8          1HD       ARG   8  -4.036  -7.440   9.826
   73   2HD   ARG   8          2HD       ARG   8  -3.626  -9.106   9.391
   74    HE   ARG   8           HE       ARG   8  -2.598  -7.259   7.324
   75   1HH1  ARG   8          2HH2      ARG   8  -1.886  -8.201  10.595
   76   2HH1  ARG   8          1HH2      ARG   8  -0.145  -7.662  10.451
   77   1HH2  ARG   8          2HH1      ARG   8  -0.613  -6.628   7.203
   78   2HH2  ARG   8          1HH1      ARG   8   0.515  -6.820   8.615
   79    H    LYS   9           H        LYS   9  -3.095 -12.134   6.255
   80    HA   LYS   9           HA       LYS   9  -4.100 -13.391   3.856
   81   1HB   LYS   9          1HB       LYS   9  -3.091 -14.740   6.441
   82   2HB   LYS   9          2HB       LYS   9  -3.342 -15.560   4.931
   83   1HG   LYS   9          1HG       LYS   9  -1.252 -15.121   4.264
   84   2HG   LYS   9          2HG       LYS   9  -1.637 -13.420   4.125
   85   1HD   LYS   9          1HD       LYS   9  -1.044 -13.112   6.598
   86   2HD   LYS   9          2HD       LYS   9  -0.588 -14.796   6.708
   87   1HE   LYS   9          1HE       LYS   9   0.742 -12.720   4.806
   88   2HE   LYS   9          2HE       LYS   9   1.334 -13.101   6.417
   89   1HZ   LYS   9          1HZ       LYS   9   1.116 -15.119   4.183
   90   2HZ   LYS   9          2HZ       LYS   9   2.522 -14.480   4.740
   91   3HZ   LYS   9          3HZ       LYS   9   1.632 -15.479   5.694
   92    H    VAL  10           H        VAL  10  -5.501 -15.268   3.580
   93    HA   VAL  10           HA       VAL  10  -8.137 -14.379   4.205
   94    HB   VAL  10           HB       VAL  10  -9.034 -16.397   3.060
   95   1HG1  VAL  10          1HG1      VAL  10  -8.511 -14.323   1.790
   96   2HG1  VAL  10          2HG1      VAL  10  -6.855 -14.895   1.484
   97   3HG1  VAL  10          3HG1      VAL  10  -8.245 -15.766   0.799
   98   1HG2  VAL  10          1HG2      VAL  10  -7.587 -17.969   1.820
   99   2HG2  VAL  10          2HG2      VAL  10  -6.116 -17.256   2.523
  100   3HG2  VAL  10          3HG2      VAL  10  -7.270 -18.128   3.556
  101    H    ARG  11           H        ARG  11  -9.269 -14.467   5.937
  102    HA   ARG  11           HA       ARG  11  -8.885 -16.684   8.025
  103   1HB   ARG  11          1HB       ARG  11  -9.669 -13.729   8.229
  104   2HB   ARG  11          2HB       ARG  11  -9.852 -14.825   9.569
  105   1HG   ARG  11          1HG       ARG  11  -7.537 -15.103   9.965
  106   2HG   ARG  11          2HG       ARG  11  -7.102 -14.865   8.295
  107   1HD   ARG  11          1HD       ARG  11  -6.255 -12.957   9.413
  108   2HD   ARG  11          2HD       ARG  11  -7.600 -12.432   8.412
  109    HE   ARG  11           HE       ARG  11  -8.070 -13.052  11.403
  110   1HH1  ARG  11          2HH2      ARG  11  -8.104 -10.646   8.888
  111   2HH1  ARG  11          1HH2      ARG  11  -8.856  -9.398   9.996
  112   1HH2  ARG  11          2HH1      ARG  11  -8.902 -11.603  12.629
  113   2HH2  ARG  11          1HH1      ARG  11  -9.265  -9.932  12.009
  114   1HN   NH2  12          1HN       NH2  12 -12.284 -17.732   7.438
  115   2HN   NH2  12          2HN       NH2  12 -10.508 -18.211   7.401
  116   1H2   DAO  13          1H2       DAO  13   0.748  -2.951   3.450
  117   2H2   DAO  13          2H2       DAO  13   1.849  -4.293   3.455
  118   1H3   DAO  13          1H3       DAO  13   1.940  -2.258   5.788
  119   2H3   DAO  13          2H3       DAO  13   0.691  -3.471   5.768
  120   1H4   DAO  13          1H4       DAO  13   2.392  -5.309   5.604
  121   2H4   DAO  13          2H4       DAO  13   3.707  -4.146   5.607
  122   1H5   DAO  13          1H5       DAO  13   3.181  -5.305   7.852
  123   2H5   DAO  13          2H5       DAO  13   1.667  -4.418   7.916
  124   1H6   DAO  13          1H6       DAO  13   4.499  -3.197   7.793
  125   2H6   DAO  13          2H6       DAO  13   3.053  -2.213   7.833
  126   1H7   DAO  13          1H7       DAO  13   3.626  -4.243  10.102
  127   2H7   DAO  13          2H7       DAO  13   4.466  -2.718  10.019
  128   1H8   DAO  13          1H8       DAO  13   2.726  -2.283  11.502
  129   2H8   DAO  13          2H8       DAO  13   2.252  -1.455  10.032
  130   1H9   DAO  13          1H9       DAO  13   1.181  -4.232  10.885
  131   2H9   DAO  13          2H9       DAO  13   0.613  -3.291   9.498
  132   1H10  DAO  13          1H10      DAO  13   0.438  -2.333  12.429
  133   2H10  DAO  13          2H10      DAO  13  -0.164  -1.449  11.027
  134   1H11  DAO  13          1H11      DAO  13  -1.777  -3.348  10.520
  135   2H11  DAO  13          2H11      DAO  13  -1.161  -4.243  11.914
  136   1H12  DAO  13          1H12      DAO  13  -2.558  -1.475  12.060
  137   2H12  DAO  13          2H12      DAO  13  -3.277  -3.035  12.521
  138   3H12  DAO  13          3H12      DAO  13  -1.925  -2.370  13.465
  Start of MODEL    9
    1   1H    PHE   1          1H        PHE   1   1.612   1.363   1.830
    2    HA   PHE   1           HA       PHE   1   2.194   2.490  -0.442
    3   1HB   PHE   1          1HB       PHE   1   4.441   0.870   0.860
    4   2HB   PHE   1          2HB       PHE   1   4.510   2.427   0.102
    5    HD1  PHE   1           HD1      PHE   1   4.106   0.652   3.216
    6    HD2  PHE   1           HD2      PHE   1   3.265   4.436   1.352
    7    HE1  PHE   1           HE1      PHE   1   3.689   1.638   5.412
    8    HE2  PHE   1           HE2      PHE   1   2.846   5.420   3.560
    9    HZ   PHE   1           HZ       PHE   1   3.055   4.034   5.608
   10    H    GLN   2           H        GLN   2   3.198  -0.843   0.074
   11    HA   GLN   2           HA       GLN   2   3.432  -1.455  -2.902
   12   1HB   GLN   2          1HB       GLN   2   3.675  -3.319  -0.459
   13   2HB   GLN   2          2HB       GLN   2   3.867  -3.850  -2.113
   14   1HG   GLN   2          1HG       GLN   2   5.671  -1.732  -0.790
   15   2HG   GLN   2          2HG       GLN   2   6.007  -3.458  -0.834
   16   1HE2  GLN   2          1HE2      GLN   2   7.992  -2.254  -1.790
   17   2HE2  GLN   2          2HE2      GLN   2   7.967  -2.190  -3.632
   18    H    TRP   3           H        TRP   3   1.199  -2.374  -0.278
   19    HA   TRP   3           HA       TRP   3  -0.551  -3.884  -2.216
   20   1HB   TRP   3          1HB       TRP   3  -1.453  -4.997  -0.474
   21   2HB   TRP   3          2HB       TRP   3   0.088  -4.685   0.179
   22    HD1  TRP   3           HD1      TRP   3  -3.527  -4.201   0.579
   23    HE1  TRP   3           HE1      TRP   3  -4.386  -2.477   2.419
   24    HE3  TRP   3           HE3      TRP   3   1.057  -2.607   2.039
   25    HZ2  TRP   3           HZ2      TRP   3  -3.042  -1.062   4.455
   26    HZ3  TRP   3           HZ3      TRP   3   1.219  -1.194   4.091
   27    HH2  TRP   3           HH2      TRP   3  -0.784  -0.413   5.246
   28    H    GLN   4           H        GLN   4  -2.884  -3.604  -2.136
   29    HA   GLN   4           HA       GLN   4  -3.835  -0.696  -1.742
   30   1HB   GLN   4          1HB       GLN   4  -5.105  -0.675  -3.664
   31   2HB   GLN   4          2HB       GLN   4  -3.518  -1.220  -4.060
   32   1HG   GLN   4          1HG       GLN   4  -4.670  -2.702  -5.368
   33   2HG   GLN   4          2HG       GLN   4  -4.498  -3.701  -3.978
   34   1HE2  GLN   4          1HE2      GLN   4  -6.940  -1.114  -4.093
   35   2HE2  GLN   4          2HE2      GLN   4  -8.336  -2.310  -4.205
   36    H    ARG   5           H        ARG   5  -5.727  -3.728  -2.019
   37    HA   ARG   5           HA       ARG   5  -6.880  -3.129   0.775
   38   1HB   ARG   5          1HB       ARG   5  -8.333  -2.075  -0.861
   39   2HB   ARG   5          2HB       ARG   5  -8.524  -3.567  -1.773
   40   1HG   ARG   5          1HG       ARG   5  -9.826  -4.629  -0.072
   41   2HG   ARG   5          2HG       ARG   5  -9.329  -3.552   1.206
   42   1HD   ARG   5          1HD       ARG   5 -11.025  -2.561  -1.201
   43   2HD   ARG   5          2HD       ARG   5 -11.747  -3.346   0.217
   44    HE   ARG   5           HE       ARG   5  -9.901  -1.173   1.049
   45   1HH1  ARG   5          2HH2      ARG   5 -13.132  -1.668  -0.158
   46   2HH1  ARG   5          1HH2      ARG   5 -13.771  -0.189   0.707
   47   1HH2  ARG   5          2HH1      ARG   5 -10.670   0.507   2.029
   48   2HH2  ARG   5          1HH1      ARG   5 -12.423   0.971   1.878
   49    H    ASN   6           H        ASN   6  -5.161  -4.801   0.964
   50    HA   ASN   6           HA       ASN   6  -6.340  -7.345   1.883
   51   1HB   ASN   6          1HB       ASN   6  -5.397  -7.299  -0.950
   52   2HB   ASN   6          2HB       ASN   6  -4.297  -8.260  -0.058
   53   1HD2  ASN   6          1HD2      ASN   6  -7.717  -7.902  -0.760
   54   2HD2  ASN   6          2HD2      ASN   6  -7.966  -9.738  -0.819
   55    H    ILE   7           H        ILE   7  -5.277  -6.404   3.825
   56    HA   ILE   7           HA       ILE   7  -2.333  -6.000   3.684
   57    HB   ILE   7           HB       ILE   7  -3.636  -5.946   6.437
   58   1HG1  ILE   7          1HG1      ILE   7  -4.160  -3.797   4.386
   59   2HG1  ILE   7          2HG1      ILE   7  -5.308  -4.657   5.363
   60   1HG2  ILE   7          1HG2      ILE   7  -1.434  -4.241   5.141
   61   2HG2  ILE   7          2HG2      ILE   7  -1.847  -4.328   6.872
   62   3HG2  ILE   7          3HG2      ILE   7  -1.134  -5.733   6.068
   63   1HD1  ILE   7          1HD1      ILE   7  -5.033  -2.337   6.213
   64   2HD1  ILE   7          2HD1      ILE   7  -4.394  -3.457   7.448
   65   3HD1  ILE   7          3HD1      ILE   7  -3.288  -2.552   6.392
   66    H    ARG   8           H        ARG   8  -4.310  -7.945   5.865
   67    HA   ARG   8           HA       ARG   8  -2.312 -10.065   6.478
   68   1HB   ARG   8          1HB       ARG   8  -4.312 -11.184   7.586
   69   2HB   ARG   8          2HB       ARG   8  -3.834  -9.657   8.205
   70   1HG   ARG   8          1HG       ARG   8  -5.937  -9.193   6.134
   71   2HG   ARG   8          2HG       ARG   8  -6.457 -10.479   7.160
   72   1HD   ARG   8          1HD       ARG   8  -7.274  -8.194   7.824
   73   2HD   ARG   8          2HD       ARG   8  -6.489  -9.089   9.136
   74    HE   ARG   8           HE       ARG   8  -4.351  -7.573   8.103
   75   1HH1  ARG   8          2HH2      ARG   8  -7.447  -6.731   9.454
   76   2HH1  ARG   8          1HH2      ARG   8  -6.763  -5.244  10.268
   77   1HH2  ARG   8          2HH1      ARG   8  -3.615  -5.867   9.030
   78   2HH2  ARG   8          1HH1      ARG   8  -4.697  -4.804  10.031
   79    H    LYS   9           H        LYS   9  -4.440  -9.712   3.796
   80    HA   LYS   9           HA       LYS   9  -5.571 -11.242   2.378
   81   1HB   LYS   9          1HB       LYS   9  -4.111 -12.148   0.827
   82   2HB   LYS   9          2HB       LYS   9  -3.401 -10.683   1.421
   83   1HG   LYS   9          1HG       LYS   9  -1.436 -11.742   1.968
   84   2HG   LYS   9          2HG       LYS   9  -2.264 -12.838   3.034
   85   1HD   LYS   9          1HD       LYS   9  -1.165 -14.254   1.515
   86   2HD   LYS   9          2HD       LYS   9  -2.867 -14.348   1.096
   87   1HE   LYS   9          1HE       LYS   9  -2.433 -12.643  -0.822
   88   2HE   LYS   9          2HE       LYS   9  -0.721 -12.644  -0.389
   89   1HZ   LYS   9          1HZ       LYS   9  -0.700 -15.123  -0.801
   90   2HZ   LYS   9          2HZ       LYS   9  -2.281 -15.100  -1.223
   91   3HZ   LYS   9          3HZ       LYS   9  -1.172 -14.335  -2.166
   92    H    VAL  10           H        VAL  10  -6.486 -12.170   4.555
   93    HA   VAL  10           HA       VAL  10  -6.617 -15.200   4.059
   94    HB   VAL  10           HB       VAL  10  -7.010 -15.639   6.455
   95   1HG1  VAL  10          1HG1      VAL  10  -4.788 -16.066   5.381
   96   2HG1  VAL  10          2HG1      VAL  10  -4.234 -14.448   5.855
   97   3HG1  VAL  10          3HG1      VAL  10  -4.622 -15.659   7.099
   98   1HG2  VAL  10          1HG2      VAL  10  -7.576 -13.410   7.461
   99   2HG2  VAL  10          2HG2      VAL  10  -6.142 -14.085   8.225
  100   3HG2  VAL  10          3HG2      VAL  10  -5.961 -12.793   7.024
  101    H    ARG  11           H        ARG  11  -8.715 -13.098   6.040
  102    HA   ARG  11           HA       ARG  11 -11.077 -13.007   6.179
  103   1HB   ARG  11          1HB       ARG  11 -10.845 -13.393   3.164
  104   2HB   ARG  11          2HB       ARG  11 -12.398 -13.513   3.921
  105   1HG   ARG  11          1HG       ARG  11 -12.199 -11.313   3.099
  106   2HG   ARG  11          2HG       ARG  11 -12.290 -11.219   4.839
  107   1HD   ARG  11          1HD       ARG  11  -9.928 -10.636   5.072
  108   2HD   ARG  11          2HD       ARG  11  -9.519 -11.105   3.443
  109    HE   ARG  11           HE       ARG  11 -10.892  -8.541   4.295
  110   1HH1  ARG  11          2HH2      ARG  11 -10.263 -10.575   1.553
  111   2HH1  ARG  11          1HH2      ARG  11 -10.571  -9.213   0.369
  112   1HH2  ARG  11          2HH1      ARG  11 -11.243  -7.016   2.931
  113   2HH2  ARG  11          1HH1      ARG  11 -11.095  -7.307   1.138
  114   1HN   NH2  12          1HN       NH2  12 -11.684 -16.419   7.123
  115   2HN   NH2  12          2HN       NH2  12 -10.859 -14.874   7.686
  116   1H2   DAO  13          1H2       DAO  13  -1.665   0.143   1.023
  117   2H2   DAO  13          2H2       DAO  13  -0.783   0.869   2.336
  118   1H3   DAO  13          1H3       DAO  13  -2.932   2.306   0.666
  119   2H3   DAO  13          2H3       DAO  13  -3.168   1.580   2.258
  120   1H4   DAO  13          1H4       DAO  13  -1.330   3.135   3.176
  121   2H4   DAO  13          2H4       DAO  13  -1.256   3.912   1.612
  122   1H5   DAO  13          1H5       DAO  13  -3.770   4.451   1.814
  123   2H5   DAO  13          2H5       DAO  13  -2.659   5.386   2.775
  124   1H6   DAO  13          1H6       DAO  13  -4.894   4.507   3.820
  125   2H6   DAO  13          2H6       DAO  13  -4.126   2.953   4.011
  126   1H7   DAO  13          1H7       DAO  13  -2.835   5.547   5.113
  127   2H7   DAO  13          2H7       DAO  13  -4.162   4.790   5.965
  128   1H8   DAO  13          1H8       DAO  13  -2.911   2.701   6.329
  129   2H8   DAO  13          2H8       DAO  13  -1.573   3.251   5.325
  130   1H9   DAO  13          1H9       DAO  13  -2.461   4.693   7.906
  131   2H9   DAO  13          2H9       DAO  13  -1.097   5.146   6.885
  132   1H10  DAO  13          1H10      DAO  13  -1.394   2.524   8.501
  133   2H10  DAO  13          2H10      DAO  13  -0.122   2.771   7.313
  134   1H11  DAO  13          1H11      DAO  13   0.835   3.251   9.465
  135   2H11  DAO  13          2H11      DAO  13   0.741   4.769   8.590
  136   1H12  DAO  13          1H12      DAO  13   0.056   5.043  11.001
  137   2H12  DAO  13          2H12      DAO  13  -1.318   5.426   9.943
  138   3H12  DAO  13          3H12      DAO  13  -1.257   3.860  10.793
  Start of MODEL   10
    1   1H    PHE   1          1H        PHE   1   0.762   1.576   0.982
    2    HA   PHE   1           HA       PHE   1   1.236   2.113  -1.575
    3   1HB   PHE   1          1HB       PHE   1   3.616   1.522   0.247
    4   2HB   PHE   1          2HB       PHE   1   3.457   2.730  -0.988
    5    HD1  PHE   1           HD1      PHE   1   3.404   2.185   2.499
    6    HD2  PHE   1           HD2      PHE   1   1.412   4.546  -0.498
    7    HE1  PHE   1           HE1      PHE   1   2.574   3.684   4.235
    8    HE2  PHE   1           HE2      PHE   1   0.574   6.042   1.251
    9    HZ   PHE   1           HZ       PHE   1   1.151   5.634   3.632
   10    H    GLN   2           H        GLN   2   2.849  -0.611   0.001
   11    HA   GLN   2           HA       GLN   2   3.670  -1.957  -2.558
   12   1HB   GLN   2          1HB       GLN   2   3.481  -3.170   0.269
   13   2HB   GLN   2          2HB       GLN   2   4.250  -3.932  -1.102
   14   1HG   GLN   2          1HG       GLN   2   5.225  -1.310   0.219
   15   2HG   GLN   2          2HG       GLN   2   5.839  -2.912   0.543
   16   1HE2  GLN   2          1HE2      GLN   2   5.607  -0.490  -2.020
   17   2HE2  GLN   2          2HE2      GLN   2   7.101  -1.129  -2.893
   18    H    TRP   3           H        TRP   3   0.959  -2.488  -0.359
   19    HA   TRP   3           HA       TRP   3  -0.203  -4.624  -2.201
   20   1HB   TRP   3          1HB       TRP   3  -1.452  -5.458  -0.434
   21   2HB   TRP   3          2HB       TRP   3   0.076  -5.144   0.271
   22    HD1  TRP   3           HD1      TRP   3  -3.521  -4.669   0.712
   23    HE1  TRP   3           HE1      TRP   3  -4.309  -2.905   2.549
   24    HE3  TRP   3           HE3      TRP   3   1.053  -2.614   1.560
   25    HZ2  TRP   3           HZ2      TRP   3  -2.940  -0.949   4.050
   26    HZ3  TRP   3           HZ3      TRP   3   1.272  -0.863   3.299
   27    HH2  TRP   3           HH2      TRP   3  -0.690  -0.039   4.513
   28    H    GLN   4           H        GLN   4  -2.582  -4.562  -2.435
   29    HA   GLN   4           HA       GLN   4  -3.609  -1.815  -3.216
   30   1HB   GLN   4          1HB       GLN   4  -4.601  -4.678  -3.683
   31   2HB   GLN   4          2HB       GLN   4  -5.717  -3.361  -3.890
   32   1HG   GLN   4          1HG       GLN   4  -3.022  -3.035  -5.288
   33   2HG   GLN   4          2HG       GLN   4  -4.099  -4.283  -5.851
   34   1HE2  GLN   4          1HE2      GLN   4  -4.512  -0.830  -4.821
   35   2HE2  GLN   4          2HE2      GLN   4  -5.582  -0.457  -6.266
   36    H    ARG   5           H        ARG   5  -6.049  -3.856  -1.870
   37    HA   ARG   5           HA       ARG   5  -6.124  -2.119   0.653
   38   1HB   ARG   5          1HB       ARG   5  -7.410  -1.143  -1.477
   39   2HB   ARG   5          2HB       ARG   5  -8.642  -2.306  -1.073
   40   1HG   ARG   5          1HG       ARG   5  -7.813  -0.899   1.416
   41   2HG   ARG   5          2HG       ARG   5  -7.911   0.281   0.147
   42   1HD   ARG   5          1HD       ARG   5 -10.059   0.214   1.319
   43   2HD   ARG   5          2HD       ARG   5 -10.337  -0.423  -0.319
   44    HE   ARG   5           HE       ARG   5  -9.636  -2.735   1.213
   45   1HH1  ARG   5          2HH2      ARG   5 -12.203  -0.381   1.406
   46   2HH1  ARG   5          1HH2      ARG   5 -13.358  -1.581   2.165
   47   1HH2  ARG   5          2HH1      ARG   5 -10.948  -4.049   2.064
   48   2HH2  ARG   5          1HH1      ARG   5 -12.656  -3.586   2.519
   49    H    ASN   6           H        ASN   6  -5.396  -4.321   1.074
   50    HA   ASN   6           HA       ASN   6  -7.284  -5.513   3.031
   51   1HB   ASN   6          1HB       ASN   6  -8.062  -6.686   0.908
   52   2HB   ASN   6          2HB       ASN   6  -6.451  -7.346   0.684
   53   1HD2  ASN   6          1HD2      ASN   6  -7.318  -9.458   0.783
   54   2HD2  ASN   6          2HD2      ASN   6  -7.874 -10.161   2.393
   55    H    ILE   7           H        ILE   7  -5.775  -5.401   4.676
   56    HA   ILE   7           HA       ILE   7  -2.921  -5.600   4.205
   57    HB   ILE   7           HB       ILE   7  -3.813  -5.980   7.049
   58   1HG1  ILE   7          1HG1      ILE   7  -5.526  -4.417   6.424
   59   2HG1  ILE   7          2HG1      ILE   7  -4.391  -3.824   7.612
   60   1HG2  ILE   7          1HG2      ILE   7  -1.669  -4.195   5.800
   61   2HG2  ILE   7          2HG2      ILE   7  -1.945  -4.451   7.544
   62   3HG2  ILE   7          3HG2      ILE   7  -1.414  -5.803   6.517
   63   1HD1  ILE   7          1HD1      ILE   7  -3.287  -2.355   5.905
   64   2HD1  ILE   7          2HD1      ILE   7  -4.399  -2.974   4.656
   65   3HD1  ILE   7          3HD1      ILE   7  -5.025  -2.015   6.014
   66    H    ARG   8           H        ARG   8  -5.123  -7.751   5.766
   67    HA   ARG   8           HA       ARG   8  -3.338  -9.960   6.566
   68   1HB   ARG   8          1HB       ARG   8  -5.743 -11.206   6.642
   69   2HB   ARG   8          2HB       ARG   8  -5.140 -10.211   7.907
   70   1HG   ARG   8          1HG       ARG   8  -6.830  -8.752   5.823
   71   2HG   ARG   8          2HG       ARG   8  -7.645  -9.984   6.711
   72   1HD   ARG   8          1HD       ARG   8  -7.876  -7.627   7.648
   73   2HD   ARG   8          2HD       ARG   8  -7.456  -8.888   8.818
   74    HE   ARG   8           HE       ARG   8  -4.936  -7.826   8.065
   75   1HH1  ARG   8          2HH2      ARG   8  -7.795  -6.483   9.529
   76   2HH1  ARG   8          1HH2      ARG   8  -6.813  -5.398  10.625
   77   1HH2  ARG   8          2HH1      ARG   8  -3.852  -6.601   9.357
   78   2HH2  ARG   8          1HH1      ARG   8  -4.690  -5.475  10.512
   79    H    LYS   9           H        LYS   9  -2.931 -11.870   5.646
   80    HA   LYS   9           HA       LYS   9  -3.132 -12.099   2.639
   81   1HB   LYS   9          1HB       LYS   9  -1.797 -13.895   4.752
   82   2HB   LYS   9          2HB       LYS   9  -1.695 -14.149   3.023
   83   1HG   LYS   9          1HG       LYS   9  -0.445 -12.020   2.670
   84   2HG   LYS   9          2HG       LYS   9  -0.735 -11.520   4.315
   85   1HD   LYS   9          1HD       LYS   9   1.482 -12.208   4.382
   86   2HD   LYS   9          2HD       LYS   9   0.618 -13.511   5.178
   87   1HE   LYS   9          1HE       LYS   9   0.736 -14.888   3.008
   88   2HE   LYS   9          2HE       LYS   9   1.575 -13.552   2.213
   89   1HZ   LYS   9          1HZ       LYS   9   2.610 -15.001   4.662
   90   2HZ   LYS   9          2HZ       LYS   9   3.219 -15.177   3.146
   91   3HZ   LYS   9          3HZ       LYS   9   3.381 -13.750   3.943
   92    H    VAL  10           H        VAL  10  -5.345 -12.154   2.593
   93    HA   VAL  10           HA       VAL  10  -7.402 -13.021   2.304
   94    HB   VAL  10           HB       VAL  10  -5.917 -14.390   0.686
   95   1HG1  VAL  10          1HG1      VAL  10  -6.077 -16.830   0.720
   96   2HG1  VAL  10          2HG1      VAL  10  -5.203 -16.267   2.150
   97   3HG1  VAL  10          3HG1      VAL  10  -6.882 -16.823   2.303
   98   1HG2  VAL  10          1HG2      VAL  10  -8.245 -13.797   0.250
   99   2HG2  VAL  10          2HG2      VAL  10  -7.832 -15.399  -0.377
  100   3HG2  VAL  10          3HG2      VAL  10  -8.816 -15.254   1.103
  101    H    ARG  11           H        ARG  11  -8.470 -15.654   2.961
  102    HA   ARG  11           HA       ARG  11  -8.565 -15.534   6.014
  103   1HB   ARG  11          1HB       ARG  11 -11.105 -15.374   4.280
  104   2HB   ARG  11          2HB       ARG  11 -11.119 -15.770   5.978
  105   1HG   ARG  11          1HG       ARG  11 -10.125 -13.096   4.819
  106   2HG   ARG  11          2HG       ARG  11 -11.730 -13.369   5.452
  107   1HD   ARG  11          1HD       ARG  11  -9.139 -13.613   7.128
  108   2HD   ARG  11          2HD       ARG  11 -10.070 -12.157   7.030
  109    HE   ARG  11           HE       ARG  11 -10.813 -14.662   8.556
  110   1HH1  ARG  11          2HH2      ARG  11 -12.065 -11.655   7.350
  111   2HH1  ARG  11          1HH2      ARG  11 -13.377 -11.598   8.626
  112   1HH2  ARG  11          2HH1      ARG  11 -12.303 -14.571   9.992
  113   2HH2  ARG  11          1HH1      ARG  11 -13.487 -13.191  10.039
  114   1HN   NH2  12          1HN       NH2  12  -8.243 -19.049   5.361
  115   2HN   NH2  12          2HN       NH2  12  -7.363 -17.532   5.913
  116   1H2   DAO  13          1H2       DAO  13  -2.095  -0.451   0.410
  117   2H2   DAO  13          2H2       DAO  13  -1.586   0.761   1.563
  118   1H3   DAO  13          1H3       DAO  13  -3.788   1.157  -0.550
  119   2H3   DAO  13          2H3       DAO  13  -4.076   0.641   1.112
  120   1H4   DAO  13          1H4       DAO  13  -3.073   2.755   1.999
  121   2H4   DAO  13          2H4       DAO  13  -2.702   3.306   0.364
  122   1H5   DAO  13          1H5       DAO  13  -5.555   2.822   1.464
  123   2H5   DAO  13          2H5       DAO  13  -5.183   3.231  -0.212
  124   1H6   DAO  13          1H6       DAO  13  -4.536   4.966   2.259
  125   2H6   DAO  13          2H6       DAO  13  -4.006   5.378   0.638
  126   1H7   DAO  13          1H7       DAO  13  -6.967   5.095   1.489
  127   2H7   DAO  13          2H7       DAO  13  -6.073   6.600   1.418
  128   1H8   DAO  13          1H8       DAO  13  -5.638   6.115  -1.124
  129   2H8   DAO  13          2H8       DAO  13  -6.737   4.763  -0.958
  130   1H9   DAO  13          1H9       DAO  13  -8.448   6.651   0.029
  131   2H9   DAO  13          2H9       DAO  13  -8.294   6.252  -1.662
  132   1H10  DAO  13          1H10      DAO  13  -6.704   8.140  -2.055
  133   2H10  DAO  13          2H10      DAO  13  -8.314   8.628  -1.587
  134   1H11  DAO  13          1H11      DAO  13  -5.880   8.600   0.315
  135   2H11  DAO  13          2H11      DAO  13  -6.475  10.000  -0.552
  136   1H12  DAO  13          1H12      DAO  13  -8.701   9.865   0.671
  137   2H12  DAO  13          2H12      DAO  13  -8.094   8.468   1.598
  138   3H12  DAO  13          3H12      DAO  13  -7.328  10.062   1.785
  Start of MODEL   11
    1   1H    PHE   1          1H        PHE   1   0.376   1.757   1.072
    2    HA   PHE   1           HA       PHE   1   0.594   2.659  -1.490
    3   1HB   PHE   1          1HB       PHE   1   3.031   2.421   0.341
    4   2HB   PHE   1          2HB       PHE   1   2.657   3.650  -0.826
    5    HD1  PHE   1           HD1      PHE   1   2.487   2.746   2.633
    6    HD2  PHE   1           HD2      PHE   1   0.427   5.117  -0.307
    7    HE1  PHE   1           HE1      PHE   1   1.295   3.913   4.414
    8    HE2  PHE   1           HE2      PHE   1  -0.769   6.284   1.484
    9    HZ   PHE   1           HZ       PHE   1  -0.347   5.699   3.860
   10    H    GLN   2           H        GLN   2   2.695   0.201  -0.079
   11    HA   GLN   2           HA       GLN   2   3.599  -0.879  -2.741
   12   1HB   GLN   2          1HB       GLN   2   4.849  -2.533  -1.514
   13   2HB   GLN   2          2HB       GLN   2   5.113  -0.951  -0.825
   14   1HG   GLN   2          1HG       GLN   2   3.491  -1.540   1.080
   15   2HG   GLN   2          2HG       GLN   2   3.296  -3.150   0.409
   16   1HE2  GLN   2          1HE2      GLN   2   5.230  -4.560   0.504
   17   2HE2  GLN   2          2HE2      GLN   2   6.504  -4.154   1.771
   18    H    TRP   3           H        TRP   3   0.636  -1.416  -1.105
   19    HA   TRP   3           HA       TRP   3   0.111  -3.858  -2.829
   20   1HB   TRP   3          1HB       TRP   3  -0.785  -5.150  -1.101
   21   2HB   TRP   3          2HB       TRP   3   0.686  -4.558  -0.441
   22    HD1  TRP   3           HD1      TRP   3  -2.864  -5.031   0.298
   23    HE1  TRP   3           HE1      TRP   3  -3.793  -3.797   2.453
   24    HE3  TRP   3           HE3      TRP   3   1.171  -2.017   1.038
   25    HZ2  TRP   3           HZ2      TRP   3  -2.753  -1.777   4.115
   26    HZ3  TRP   3           HZ3      TRP   3   1.200  -0.524   3.018
   27    HH2  TRP   3           HH2      TRP   3  -0.736  -0.388   4.519
   28    H    GLN   4           H        GLN   4  -2.319  -4.389  -2.699
   29    HA   GLN   4           HA       GLN   4  -3.992  -2.044  -3.452
   30   1HB   GLN   4          1HB       GLN   4  -4.265  -5.108  -3.286
   31   2HB   GLN   4          2HB       GLN   4  -5.734  -4.215  -3.319
   32   1HG   GLN   4          1HG       GLN   4  -3.576  -3.741  -5.439
   33   2HG   GLN   4          2HG       GLN   4  -4.794  -4.981  -5.558
   34   1HE2  GLN   4          1HE2      GLN   4  -7.146  -3.739  -4.814
   35   2HE2  GLN   4          2HE2      GLN   4  -7.384  -2.223  -5.820
   36    H    ARG   5           H        ARG   5  -5.901  -4.000  -1.519
   37    HA   ARG   5           HA       ARG   5  -5.736  -2.312   0.970
   38   1HB   ARG   5          1HB       ARG   5  -6.975  -0.739  -0.248
   39   2HB   ARG   5          2HB       ARG   5  -8.027  -1.909  -1.014
   40   1HG   ARG   5          1HG       ARG   5  -9.397  -2.208   0.800
   41   2HG   ARG   5          2HG       ARG   5  -8.218  -1.807   2.014
   42   1HD   ARG   5          1HD       ARG   5  -9.310   0.390   0.110
   43   2HD   ARG   5          2HD       ARG   5 -10.246  -0.167   1.509
   44    HE   ARG   5           HE       ARG   5  -7.455   0.475   2.304
   45   1HH1  ARG   5          2HH2      ARG   5 -10.504   2.012   1.644
   46   2HH1  ARG   5          1HH2      ARG   5 -10.188   3.344   2.856
   47   1HH2  ARG   5          2HH1      ARG   5  -7.126   2.006   3.680
   48   2HH2  ARG   5          1HH1      ARG   5  -8.353   3.324   3.938
   49    H    ASN   6           H        ASN   6  -5.091  -4.689   0.816
   50    HA   ASN   6           HA       ASN   6  -6.863  -6.372   2.573
   51   1HB   ASN   6          1HB       ASN   6  -6.577  -8.247   0.888
   52   2HB   ASN   6          2HB       ASN   6  -7.733  -6.992   0.482
   53   1HD2  ASN   6          1HD2      ASN   6  -7.506  -8.176  -1.615
   54   2HD2  ASN   6          2HD2      ASN   6  -6.146  -7.607  -2.713
   55    H    ILE   7           H        ILE   7  -5.081  -5.766   4.043
   56    HA   ILE   7           HA       ILE   7  -2.375  -6.854   3.425
   57    HB   ILE   7           HB       ILE   7  -2.384  -6.192   6.271
   58   1HG1  ILE   7          1HG1      ILE   7  -3.491  -3.884   4.632
   59   2HG1  ILE   7          2HG1      ILE   7  -4.341  -4.751   5.888
   60   1HG2  ILE   7          1HG2      ILE   7  -0.519  -4.754   5.615
   61   2HG2  ILE   7          2HG2      ILE   7  -0.427  -6.301   4.761
   62   3HG2  ILE   7          3HG2      ILE   7  -0.991  -4.850   3.900
   63   1HD1  ILE   7          1HD1      ILE   7  -3.485  -2.651   6.844
   64   2HD1  ILE   7          2HD1      ILE   7  -2.587  -3.992   7.603
   65   3HD1  ILE   7          3HD1      ILE   7  -1.830  -3.009   6.326
   66    H    ARG   8           H        ARG   8  -4.665  -7.463   5.961
   67    HA   ARG   8           HA       ARG   8  -3.689  -9.884   7.149
   68   1HB   ARG   8          1HB       ARG   8  -6.247 -10.352   7.628
   69   2HB   ARG   8          2HB       ARG   8  -5.266  -9.269   8.516
   70   1HG   ARG   8          1HG       ARG   8  -7.007  -8.234   6.191
   71   2HG   ARG   8          2HG       ARG   8  -7.704  -8.569   7.765
   72   1HD   ARG   8          1HD       ARG   8  -5.569  -6.437   7.172
   73   2HD   ARG   8          2HD       ARG   8  -7.238  -6.149   7.534
   74    HE   ARG   8           HE       ARG   8  -5.104  -7.243   9.461
   75   1HH1  ARG   8          2HH2      ARG   8  -8.317  -5.912   9.146
   76   2HH1  ARG   8          1HH2      ARG   8  -8.517  -5.777  10.958
   77   1HH2  ARG   8          2HH1      ARG   8  -5.356  -6.999  11.521
   78   2HH2  ARG   8          1HH1      ARG   8  -6.917  -6.378  12.215
   79    H    LYS   9           H        LYS   9  -3.045 -11.475   5.962
   80    HA   LYS   9           HA       LYS   9  -3.883 -12.080   3.344
   81   1HB   LYS   9          1HB       LYS   9  -2.050 -13.710   3.323
   82   2HB   LYS   9          2HB       LYS   9  -1.618 -12.189   4.058
   83   1HG   LYS   9          1HG       LYS   9  -2.075 -13.437   6.394
   84   2HG   LYS   9          2HG       LYS   9  -2.042 -14.914   5.450
   85   1HD   LYS   9          1HD       LYS   9   0.291 -14.426   4.676
   86   2HD   LYS   9          2HD       LYS   9   0.239 -12.817   5.402
   87   1HE   LYS   9          1HE       LYS   9  -0.046 -13.869   7.723
   88   2HE   LYS   9          2HE       LYS   9   0.064 -15.475   7.001
   89   1HZ   LYS   9          1HZ       LYS   9   2.233 -13.372   6.788
   90   2HZ   LYS   9          2HZ       LYS   9   2.295 -14.661   7.805
   91   3HZ   LYS   9          3HZ       LYS   9   2.344 -14.888   6.177
   92    H    VAL  10           H        VAL  10  -5.994 -12.424   3.667
   93    HA   VAL  10           HA       VAL  10  -6.812 -15.338   3.310
   94    HB   VAL  10           HB       VAL  10  -7.419 -13.557   5.614
   95   1HG1  VAL  10          1HG1      VAL  10  -9.951 -14.772   4.405
   96   2HG1  VAL  10          2HG1      VAL  10  -9.782 -13.987   6.005
   97   3HG1  VAL  10          3HG1      VAL  10  -9.586 -13.036   4.514
   98   1HG2  VAL  10          1HG2      VAL  10  -6.585 -15.908   5.815
   99   2HG2  VAL  10          2HG2      VAL  10  -8.088 -15.660   6.718
  100   3HG2  VAL  10          3HG2      VAL  10  -8.121 -16.519   5.159
  101    H    ARG  11           H        ARG  11  -7.530 -11.986   2.439
  102    HA   ARG  11           HA       ARG  11 -10.076 -12.674   1.022
  103   1HB   ARG  11          1HB       ARG  11  -8.489 -10.028   0.986
  104   2HB   ARG  11          2HB       ARG  11 -10.075 -10.290   0.326
  105   1HG   ARG  11          1HG       ARG  11 -10.922  -9.523   2.262
  106   2HG   ARG  11          2HG       ARG  11 -10.608 -11.117   2.913
  107   1HD   ARG  11          1HD       ARG  11  -8.240 -10.197   3.660
  108   2HD   ARG  11          2HD       ARG  11  -8.781  -8.617   3.141
  109    HE   ARG  11           HE       ARG  11 -10.737  -8.747   4.779
  110   1HH1  ARG  11          2HH2      ARG  11  -8.089 -10.942   5.410
  111   2HH1  ARG  11          1HH2      ARG  11  -8.786 -11.387   7.040
  112   1HH2  ARG  11          2HH1      ARG  11 -11.437  -9.240   6.649
  113   2HH2  ARG  11          1HH1      ARG  11 -10.557 -10.425   7.711
  114   1HN   NH2  12          1HN       NH2  12  -8.422 -13.665  -2.043
  115   2HN   NH2  12          2HN       NH2  12  -9.152 -14.311  -0.484
  116   1H2   DAO  13          1H2       DAO  13  -2.260  -0.314   0.609
  117   2H2   DAO  13          2H2       DAO  13  -1.922   0.973   1.744
  118   1H3   DAO  13          1H3       DAO  13  -4.134   1.066  -0.402
  119   2H3   DAO  13          2H3       DAO  13  -4.399   0.460   1.228
  120   1H4   DAO  13          1H4       DAO  13  -3.888   2.626   2.247
  121   2H4   DAO  13          2H4       DAO  13  -3.305   3.305   0.727
  122   1H5   DAO  13          1H5       DAO  13  -6.227   2.406   1.153
  123   2H5   DAO  13          2H5       DAO  13  -5.551   3.059  -0.327
  124   1H6   DAO  13          1H6       DAO  13  -5.811   4.532   2.373
  125   2H6   DAO  13          2H6       DAO  13  -4.913   5.208   1.027
  126   1H7   DAO  13          1H7       DAO  13  -7.903   4.423   0.830
  127   2H7   DAO  13          2H7       DAO  13  -7.337   6.022   1.296
  128   1H8   DAO  13          1H8       DAO  13  -6.118   6.272  -0.911
  129   2H8   DAO  13          2H8       DAO  13  -6.646   4.674  -1.392
  130   1H9   DAO  13          1H9       DAO  13  -9.063   5.408  -1.314
  131   2H9   DAO  13          2H9       DAO  13  -8.060   6.207  -2.511
  132   1H10  DAO  13          1H10      DAO  13  -9.047   7.413   0.151
  133   2H10  DAO  13          2H10      DAO  13  -7.756   8.153  -0.782
  134   1H11  DAO  13          1H11      DAO  13  -9.797   9.286  -1.376
  135   2H11  DAO  13          2H11      DAO  13  -9.261   8.386  -2.783
  136   1H12  DAO  13          1H12      DAO  13 -11.750   8.194  -2.467
  137   2H12  DAO  13          2H12      DAO  13 -11.007   6.589  -2.305
  138   3H12  DAO  13          3H12      DAO  13 -11.523   7.484  -0.850
  Start of MODEL   12
    1   1H    PHE   1          1H        PHE   1   3.832  -3.714   1.863
    2    HA   PHE   1           HA       PHE   1   4.991  -1.348   2.117
    3   1HB   PHE   1          1HB       PHE   1   5.415  -2.697  -0.566
    4   2HB   PHE   1          2HB       PHE   1   6.544  -1.907   0.479
    5    HD1  PHE   1           HD1      PHE   1   5.393  -5.048  -0.656
    6    HD2  PHE   1           HD2      PHE   1   6.906  -3.167   2.907
    7    HE1  PHE   1           HE1      PHE   1   5.956  -7.242   0.262
    8    HE2  PHE   1           HE2      PHE   1   7.461  -5.376   3.824
    9    HZ   PHE   1           HZ       PHE   1   6.996  -7.428   2.510
   10    H    GLN   2           H        GLN   2   3.488  -2.005  -1.002
   11    HA   GLN   2           HA       GLN   2   2.022   0.638  -1.017
   12   1HB   GLN   2          1HB       GLN   2   4.034   0.147  -3.265
   13   2HB   GLN   2          2HB       GLN   2   2.886   1.486  -3.130
   14   1HG   GLN   2          1HG       GLN   2   4.050   2.286  -1.040
   15   2HG   GLN   2          2HG       GLN   2   5.231   0.996  -1.221
   16   1HE2  GLN   2          1HE2      GLN   2   7.062   2.229  -1.618
   17   2HE2  GLN   2          2HE2      GLN   2   7.179   3.380  -3.053
   18    H    TRP   3           H        TRP   3   1.282  -1.964  -1.102
   19    HA   TRP   3           HA       TRP   3  -0.177  -2.734  -3.575
   20   1HB   TRP   3          1HB       TRP   3  -1.144  -4.385  -2.230
   21   2HB   TRP   3          2HB       TRP   3   0.439  -4.249  -1.599
   22    HD1  TRP   3           HD1      TRP   3  -2.102  -5.569  -0.144
   23    HE1  TRP   3           HE1      TRP   3  -3.039  -4.812   2.153
   24    HE3  TRP   3           HE3      TRP   3   0.281  -0.929   0.176
   25    HZ2  TRP   3           HZ2      TRP   3  -3.005  -2.474   3.615
   26    HZ3  TRP   3           HZ3      TRP   3  -0.147   0.374   2.191
   27    HH2  TRP   3           HH2      TRP   3  -1.767  -0.336   3.870
   28    H    GLN   4           H        GLN   4  -2.632  -3.014  -3.390
   29    HA   GLN   4           HA       GLN   4  -4.087  -0.439  -2.743
   30   1HB   GLN   4          1HB       GLN   4  -4.742  -3.060  -4.197
   31   2HB   GLN   4          2HB       GLN   4  -6.084  -2.211  -3.513
   32   1HG   GLN   4          1HG       GLN   4  -4.173  -0.479  -5.134
   33   2HG   GLN   4          2HG       GLN   4  -5.059  -1.723  -5.968
   34   1HE2  GLN   4          1HE2      GLN   4  -6.224   0.313  -3.224
   35   2HE2  GLN   4          2HE2      GLN   4  -7.598   1.007  -4.230
   36    H    ARG   5           H        ARG   5  -5.765  -3.321  -1.892
   37    HA   ARG   5           HA       ARG   5  -5.410  -2.887   1.103
   38   1HB   ARG   5          1HB       ARG   5  -6.899  -1.107   0.580
   39   2HB   ARG   5          2HB       ARG   5  -7.960  -2.101  -0.402
   40   1HG   ARG   5          1HG       ARG   5  -8.984  -3.146   1.400
   41   2HG   ARG   5          2HG       ARG   5  -7.659  -2.937   2.516
   42   1HD   ARG   5          1HD       ARG   5  -9.303  -0.497   1.529
   43   2HD   ARG   5          2HD       ARG   5  -9.891  -1.562   2.816
   44    HE   ARG   5           HE       ARG   5  -7.061  -0.609   3.237
   45   1HH1  ARG   5          2HH2      ARG   5 -10.391   0.179   3.877
   46   2HH1  ARG   5          1HH2      ARG   5  -9.965   1.074   5.413
   47   1HH2  ARG   5          2HH1      ARG   5  -6.614   0.415   4.993
   48   2HH2  ARG   5          1HH1      ARG   5  -7.920   1.193   5.992
   49    H    ASN   6           H        ASN   6  -4.509  -4.947   0.536
   50    HA   ASN   6           HA       ASN   6  -6.327  -7.010   1.693
   51   1HB   ASN   6          1HB       ASN   6  -6.661  -7.204  -0.881
   52   2HB   ASN   6          2HB       ASN   6  -5.012  -7.766  -1.001
   53   1HD2  ASN   6          1HD2      ASN   6  -4.782  -9.987  -0.714
   54   2HD2  ASN   6          2HD2      ASN   6  -6.170 -11.067  -0.174
   55    H    ILE   7           H        ILE   7  -4.825  -6.566   3.446
   56    HA   ILE   7           HA       ILE   7  -2.009  -7.600   3.045
   57    HB   ILE   7           HB       ILE   7  -1.834  -6.508   5.567
   58   1HG1  ILE   7          1HG1      ILE   7  -3.607  -4.530   4.102
   59   2HG1  ILE   7          2HG1      ILE   7  -4.081  -5.497   5.475
   60   1HG2  ILE   7          1HG2      ILE   7  -0.946  -5.615   2.826
   61   2HG2  ILE   7          2HG2      ILE   7  -0.685  -4.550   4.198
   62   3HG2  ILE   7          3HG2      ILE   7  -0.031  -6.199   4.218
   63   1HD1  ILE   7          1HD1      ILE   7  -3.505  -3.236   6.286
   64   2HD1  ILE   7          2HD1      ILE   7  -2.284  -4.371   6.917
   65   3HD1  ILE   7          3HD1      ILE   7  -1.902  -3.304   5.551
   66    H    ARG   8           H        ARG   8  -4.100  -7.467   5.864
   67    HA   ARG   8           HA       ARG   8  -3.457  -9.815   7.234
   68   1HB   ARG   8          1HB       ARG   8  -6.161  -9.720   7.819
   69   2HB   ARG   8          2HB       ARG   8  -4.904  -8.807   8.568
   70   1HG   ARG   8          1HG       ARG   8  -6.849  -7.431   8.166
   71   2HG   ARG   8          2HG       ARG   8  -5.441  -6.771   7.409
   72   1HD   ARG   8          1HD       ARG   8  -7.976  -6.921   6.282
   73   2HD   ARG   8          2HD       ARG   8  -6.482  -6.550   5.428
   74    HE   ARG   8           HE       ARG   8  -6.575  -9.383   5.370
   75   1HH1  ARG   8          2HH2      ARG   8  -8.517  -6.819   4.026
   76   2HH1  ARG   8          1HH2      ARG   8  -8.684  -7.738   2.445
   77   1HH2  ARG   8          2HH1      ARG   8  -6.778 -10.323   3.679
   78   2HH2  ARG   8          1HH1      ARG   8  -7.674  -9.614   2.235
   79    H    LYS   9           H        LYS   9  -4.159 -11.912   7.447
   80    HA   LYS   9           HA       LYS   9  -3.843 -13.346   5.097
   81   1HB   LYS   9          1HB       LYS   9  -3.497 -13.999   7.584
   82   2HB   LYS   9          2HB       LYS   9  -5.170 -14.536   7.604
   83   1HG   LYS   9          1HG       LYS   9  -4.602 -16.248   5.807
   84   2HG   LYS   9          2HG       LYS   9  -2.957 -15.602   5.711
   85   1HD   LYS   9          1HD       LYS   9  -2.681 -16.164   8.219
   86   2HD   LYS   9          2HD       LYS   9  -4.239 -16.957   8.192
   87   1HE   LYS   9          1HE       LYS   9  -1.783 -17.744   6.441
   88   2HE   LYS   9          2HE       LYS   9  -2.179 -18.484   7.984
   89   1HZ   LYS   9          1HZ       LYS   9  -4.367 -19.221   7.019
   90   2HZ   LYS   9          2HZ       LYS   9  -3.991 -18.560   5.570
   91   3HZ   LYS   9          3HZ       LYS   9  -3.123 -19.836   6.136
   92    H    VAL  10           H        VAL  10  -4.983 -14.959   3.931
   93    HA   VAL  10           HA       VAL  10  -6.960 -13.972   2.377
   94    HB   VAL  10           HB       VAL  10  -7.517 -16.224   1.477
   95   1HG1  VAL  10          1HG1      VAL  10  -4.491 -15.752   1.805
   96   2HG1  VAL  10          2HG1      VAL  10  -5.296 -16.692   0.531
   97   3HG1  VAL  10          3HG1      VAL  10  -5.546 -14.942   0.624
   98   1HG2  VAL  10          1HG2      VAL  10  -6.328 -18.266   2.212
   99   2HG2  VAL  10          2HG2      VAL  10  -5.601 -17.403   3.589
  100   3HG2  VAL  10          3HG2      VAL  10  -7.358 -17.671   3.526
  101    H    ARG  11           H        ARG  11  -8.929 -13.419   2.379
  102    HA   ARG  11           HA       ARG  11 -10.459 -13.757   4.906
  103   1HB   ARG  11          1HB       ARG  11  -9.689 -11.617   3.946
  104   2HB   ARG  11          2HB       ARG  11 -10.708 -11.827   2.522
  105   1HG   ARG  11          1HG       ARG  11 -12.766 -11.591   3.890
  106   2HG   ARG  11          2HG       ARG  11 -11.848 -11.610   5.391
  107   1HD   ARG  11          1HD       ARG  11 -10.722  -9.488   4.869
  108   2HD   ARG  11          2HD       ARG  11 -11.308  -9.455   3.225
  109    HE   ARG  11           HE       ARG  11 -12.931  -8.877   5.751
  110   1HH1  ARG  11          2HH2      ARG  11 -13.079  -9.226   2.292
  111   2HH1  ARG  11          1HH2      ARG  11 -14.595  -8.209   2.181
  112   1HH2  ARG  11          2HH1      ARG  11 -14.652  -7.733   5.588
  113   2HH2  ARG  11          1HH1      ARG  11 -15.431  -7.428   3.973
  114   1HN   NH2  12          1HN       NH2  12 -12.950 -15.460   2.196
  115   2HN   NH2  12          2HN       NH2  12 -11.248 -15.006   1.666
  116   1H2   DAO  13          1H2       DAO  13   0.809  -2.647   3.408
  117   2H2   DAO  13          2H2       DAO  13   1.767  -4.099   3.417
  118   1H3   DAO  13          1H3       DAO  13   1.723  -2.221   5.891
  119   2H3   DAO  13          2H3       DAO  13   0.465  -3.406   5.639
  120   1H4   DAO  13          1H4       DAO  13   2.265  -5.239   5.463
  121   2H4   DAO  13          2H4       DAO  13   3.470  -4.030   5.920
  122   1H5   DAO  13          1H5       DAO  13   1.001  -4.844   7.608
  123   2H5   DAO  13          2H5       DAO  13   2.148  -3.584   8.066
  124   1H6   DAO  13          1H6       DAO  13   2.922  -6.534   7.574
  125   2H6   DAO  13          2H6       DAO  13   4.023  -5.281   8.126
  126   1H7   DAO  13          1H7       DAO  13   1.540  -6.297   9.670
  127   2H7   DAO  13          2H7       DAO  13   3.194  -6.818   9.951
  128   1H8   DAO  13          1H8       DAO  13   3.845  -4.436  10.575
  129   2H8   DAO  13          2H8       DAO  13   2.172  -3.931  10.344
  130   1H9   DAO  13          1H9       DAO  13   3.157  -5.988  12.432
  131   2H9   DAO  13          2H9       DAO  13   1.462  -5.657  12.113
  132   1H10  DAO  13          1H10      DAO  13   1.780  -3.234  12.718
  133   2H10  DAO  13          2H10      DAO  13   2.029  -4.346  14.042
  134   1H11  DAO  13          1H11      DAO  13   4.335  -3.056  12.431
  135   2H11  DAO  13          2H11      DAO  13   3.677  -2.411  13.922
  136   1H12  DAO  13          1H12      DAO  13   5.056  -5.174  13.676
  137   2H12  DAO  13          2H12      DAO  13   5.744  -3.711  14.416
  138   3H12  DAO  13          3H12      DAO  13   4.352  -4.516  15.177
  Start of MODEL   13
    1   1H    PHE   1          1H        PHE   1   2.671  -0.760   2.148
    2    HA   PHE   1           HA       PHE   1   3.858   0.915   0.450
    3   1HB   PHE   1          1HB       PHE   1   5.200  -1.792   0.724
    4   2HB   PHE   1          2HB       PHE   1   5.873  -0.203   0.799
    5    HD1  PHE   1           HD1      PHE   1   5.077  -3.023   2.721
    6    HD2  PHE   1           HD2      PHE   1   4.896   1.268   2.983
    7    HE1  PHE   1           HE1      PHE   1   4.890  -3.177   5.159
    8    HE2  PHE   1           HE2      PHE   1   4.702   1.099   5.428
    9    HZ   PHE   1           HZ       PHE   1   4.696  -1.120   6.527
   10    H    GLN   2           H        GLN   2   3.539  -2.504  -0.488
   11    HA   GLN   2           HA       GLN   2   3.386  -1.753  -3.438
   12   1HB   GLN   2          1HB       GLN   2   4.940  -3.534  -2.654
   13   2HB   GLN   2          2HB       GLN   2   3.594  -4.511  -2.074
   14   1HG   GLN   2          1HG       GLN   2   2.755  -4.838  -4.397
   15   2HG   GLN   2          2HG       GLN   2   3.850  -3.622  -5.020
   16   1HE2  GLN   2          1HE2      GLN   2   3.768  -6.908  -3.696
   17   2HE2  GLN   2          2HE2      GLN   2   5.411  -7.328  -4.425
   18    H    TRP   3           H        TRP   3   1.125  -2.874  -0.953
   19    HA   TRP   3           HA       TRP   3  -0.997  -3.457  -3.030
   20   1HB   TRP   3          1HB       TRP   3  -2.225  -4.593  -1.469
   21   2HB   TRP   3          2HB       TRP   3  -0.626  -5.050  -1.080
   22    HD1  TRP   3           HD1      TRP   3  -3.773  -3.954   0.370
   23    HE1  TRP   3           HE1      TRP   3  -3.767  -2.781   2.715
   24    HE3  TRP   3           HE3      TRP   3   1.278  -3.751   0.831
   25    HZ2  TRP   3           HZ2      TRP   3  -1.656  -2.445   4.661
   26    HZ3  TRP   3           HZ3      TRP   3   2.247  -3.209   3.038
   27    HH2  TRP   3           HH2      TRP   3   0.809  -2.553   4.923
   28    H    GLN   4           H        GLN   4  -3.050  -2.523  -2.828
   29    HA   GLN   4           HA       GLN   4  -3.260   0.133  -1.260
   30   1HB   GLN   4          1HB       GLN   4  -4.382   1.223  -2.989
   31   2HB   GLN   4          2HB       GLN   4  -3.085   0.386  -3.762
   32   1HG   GLN   4          1HG       GLN   4  -4.646  -0.257  -5.279
   33   2HG   GLN   4          2HG       GLN   4  -5.017  -1.539  -4.187
   34   1HE2  GLN   4          1HE2      GLN   4  -6.490   0.744  -2.430
   35   2HE2  GLN   4          2HE2      GLN   4  -8.039   0.939  -3.405
   36    H    ARG   5           H        ARG   5  -4.769  -2.905  -1.463
   37    HA   ARG   5           HA       ARG   5  -7.522  -1.879  -0.778
   38   1HB   ARG   5          1HB       ARG   5  -6.436  -4.661  -1.507
   39   2HB   ARG   5          2HB       ARG   5  -8.099  -4.416  -1.040
   40   1HG   ARG   5          1HG       ARG   5  -6.906  -2.745  -3.306
   41   2HG   ARG   5          2HG       ARG   5  -7.333  -4.404  -3.622
   42   1HD   ARG   5          1HD       ARG   5  -9.653  -4.128  -3.297
   43   2HD   ARG   5          2HD       ARG   5  -9.494  -2.687  -2.282
   44    HE   ARG   5           HE       ARG   5  -8.422  -1.548  -4.436
   45   1HH1  ARG   5          2HH2      ARG   5 -11.114  -3.776  -4.570
   46   2HH1  ARG   5          1HH2      ARG   5 -11.761  -3.007  -6.098
   47   1HH2  ARG   5          2HH1      ARG   5  -9.161  -0.741  -6.137
   48   2HH2  ARG   5          1HH1      ARG   5 -10.702  -1.328  -6.933
   49    H    ASN   6           H        ASN   6  -6.275  -4.860   0.643
   50    HA   ASN   6           HA       ASN   6  -6.068  -3.808   3.419
   51   1HB   ASN   6          1HB       ASN   6  -8.727  -4.374   2.629
   52   2HB   ASN   6          2HB       ASN   6  -8.264  -5.946   3.185
   53   1HD2  ASN   6          1HD2      ASN   6  -8.591  -2.575   4.105
   54   2HD2  ASN   6          2HD2      ASN   6  -8.826  -2.939   5.895
   55    H    ILE   7           H        ILE   7  -4.409  -5.049   4.242
   56    HA   ILE   7           HA       ILE   7  -3.135  -6.855   2.621
   57    HB   ILE   7           HB       ILE   7  -2.090  -7.617   5.229
   58   1HG1  ILE   7          1HG1      ILE   7  -2.479  -4.608   5.138
   59   2HG1  ILE   7          2HG1      ILE   7  -3.327  -5.708   6.204
   60   1HG2  ILE   7          1HG2      ILE   7  -0.938  -5.729   3.125
   61   2HG2  ILE   7          2HG2      ILE   7  -0.039  -6.559   4.411
   62   3HG2  ILE   7          3HG2      ILE   7  -0.806  -7.499   3.124
   63   1HD1  ILE   7          1HD1      ILE   7  -0.286  -5.189   6.258
   64   2HD1  ILE   7          2HD1      ILE   7  -1.485  -4.696   7.468
   65   3HD1  ILE   7          3HD1      ILE   7  -1.104  -6.422   7.255
   66    H    ARG   8           H        ARG   8  -4.252  -8.177   5.697
   67    HA   ARG   8           HA       ARG   8  -5.262 -10.278   6.280
   68   1HB   ARG   8          1HB       ARG   8  -7.084  -9.451   3.990
   69   2HB   ARG   8          2HB       ARG   8  -7.522 -10.260   5.483
   70   1HG   ARG   8          1HG       ARG   8  -6.706  -7.340   5.127
   71   2HG   ARG   8          2HG       ARG   8  -8.307  -7.919   5.464
   72   1HD   ARG   8          1HD       ARG   8  -5.991  -8.396   7.463
   73   2HD   ARG   8          2HD       ARG   8  -6.767  -6.846   7.383
   74    HE   ARG   8           HE       ARG   8  -7.898  -9.339   8.555
   75   1HH1  ARG   8          2HH2      ARG   8  -8.844  -6.232   7.212
   76   2HH1  ARG   8          1HH2      ARG   8 -10.267  -6.117   8.355
   77   1HH2  ARG   8          2HH1      ARG   8  -9.530  -9.130   9.838
   78   2HH2  ARG   8          1HH1      ARG   8 -10.633  -7.687   9.735
   79    H    LYS   9           H        LYS   9  -3.223 -11.049   4.277
   80    HA   LYS   9           HA       LYS   9  -4.439 -13.092   2.561
   81   1HB   LYS   9          1HB       LYS   9  -2.291 -11.712   2.175
   82   2HB   LYS   9          2HB       LYS   9  -1.476 -12.822   3.255
   83   1HG   LYS   9          1HG       LYS   9  -2.775 -14.583   1.379
   84   2HG   LYS   9          2HG       LYS   9  -2.477 -13.162   0.417
   85   1HD   LYS   9          1HD       LYS   9  -0.588 -14.535   0.052
   86   2HD   LYS   9          2HD       LYS   9   0.018 -13.280   1.127
   87   1HE   LYS   9          1HE       LYS   9  -0.267 -14.871   3.128
   88   2HE   LYS   9          2HE       LYS   9  -0.948 -16.095   2.068
   89   1HZ   LYS   9          1HZ       LYS   9   1.849 -14.974   1.783
   90   2HZ   LYS   9          2HZ       LYS   9   1.491 -16.467   2.372
   91   3HZ   LYS   9          3HZ       LYS   9   1.208 -16.111   0.793
   92    H    VAL  10           H        VAL  10  -5.513 -13.893   4.549
   93    HA   VAL  10           HA       VAL  10  -4.371 -16.587   5.449
   94    HB   VAL  10           HB       VAL  10  -5.227 -16.158   7.794
   95   1HG1  VAL  10          1HG1      VAL  10  -2.782 -16.130   7.265
   96   2HG1  VAL  10          2HG1      VAL  10  -2.852 -14.377   6.987
   97   3HG1  VAL  10          3HG1      VAL  10  -3.187 -15.040   8.603
   98   1HG2  VAL  10          1HG2      VAL  10  -6.662 -14.136   7.524
   99   2HG2  VAL  10          2HG2      VAL  10  -5.380 -13.847   8.707
  100   3HG2  VAL  10          3HG2      VAL  10  -5.238 -13.159   7.074
  101    H    ARG  11           H        ARG  11  -7.372 -14.672   5.299
  102    HA   ARG  11           HA       ARG  11  -9.188 -16.803   6.015
  103   1HB   ARG  11          1HB       ARG  11  -9.859 -14.485   4.095
  104   2HB   ARG  11          2HB       ARG  11 -10.989 -15.500   4.936
  105   1HG   ARG  11          1HG       ARG  11 -11.147 -13.812   6.407
  106   2HG   ARG  11          2HG       ARG  11  -9.783 -14.573   7.175
  107   1HD   ARG  11          1HD       ARG  11  -9.373 -12.131   7.061
  108   2HD   ARG  11          2HD       ARG  11  -8.206 -12.928   6.056
  109    HE   ARG  11           HE       ARG  11  -9.127 -11.931   4.082
  110   1HH1  ARG  11          2HH2      ARG  11 -11.414 -11.490   6.656
  111   2HH1  ARG  11          1HH2      ARG  11 -12.394 -10.288   5.683
  112   1HH2  ARG  11          2HH1      ARG  11 -10.262 -10.580   2.999
  113   2HH2  ARG  11          1HH1      ARG  11 -11.747  -9.810   3.711
  114   1HN   NH2  12          1HN       NH2  12  -8.864 -17.717   2.037
  115   2HN   NH2  12          2HN       NH2  12  -7.977 -16.226   2.650
  116   1H2   DAO  13          1H2       DAO  13  -0.628  -0.025   0.910
  117   2H2   DAO  13          2H2       DAO  13   0.118  -0.565   2.373
  118   1H3   DAO  13          1H3       DAO  13  -0.929   2.304   2.008
  119   2H3   DAO  13          2H3       DAO  13  -1.890   0.952   2.620
  120   1H4   DAO  13          1H4       DAO  13  -0.251   0.586   4.491
  121   2H4   DAO  13          2H4       DAO  13   0.716   1.942   3.933
  122   1H5   DAO  13          1H5       DAO  13  -1.136   3.558   4.438
  123   2H5   DAO  13          2H5       DAO  13  -0.606   2.648   5.832
  124   1H6   DAO  13          1H6       DAO  13  -2.628   0.991   5.276
  125   2H6   DAO  13          2H6       DAO  13  -2.869   2.458   6.196
  126   1H7   DAO  13          1H7       DAO  13  -4.024   3.603   4.498
  127   2H7   DAO  13          2H7       DAO  13  -3.177   2.801   3.207
  128   1H8   DAO  13          1H8       DAO  13  -5.295   1.943   2.959
  129   2H8   DAO  13          2H8       DAO  13  -4.475   0.621   3.747
  130   1H9   DAO  13          1H9       DAO  13  -6.846   1.123   4.511
  131   2H9   DAO  13          2H9       DAO  13  -6.334   2.671   5.154
  132   1H10  DAO  13          1H10      DAO  13  -5.155  -0.027   6.131
  133   2H10  DAO  13          2H10      DAO  13  -4.884   1.557   6.837
  134   1H11  DAO  13          1H11      DAO  13  -6.478   0.564   8.275
  135   2H11  DAO  13          2H11      DAO  13  -7.416   1.717   7.338
  136   1H12  DAO  13          1H12      DAO  13  -7.254  -1.340   6.797
  137   2H12  DAO  13          2H12      DAO  13  -8.621  -0.490   7.561
  138   3H12  DAO  13          3H12      DAO  13  -8.244  -0.198   5.848
  Start of MODEL   14
    1   1H    PHE   1          1H        PHE   1   4.266  -1.588   0.025
    2    HA   PHE   1           HA       PHE   1   4.614   0.655  -1.382
    3   1HB   PHE   1          1HB       PHE   1   5.795  -1.947  -2.457
    4   2HB   PHE   1          2HB       PHE   1   6.499  -0.367  -2.407
    5    HD1  PHE   1           HD1      PHE   1   6.932   0.610   0.124
    6    HD2  PHE   1           HD2      PHE   1   6.410  -3.551  -0.841
    7    HE1  PHE   1           HE1      PHE   1   7.932  -0.024   2.272
    8    HE2  PHE   1           HE2      PHE   1   7.413  -4.175   1.295
    9    HZ   PHE   1           HZ       PHE   1   8.190  -2.418   2.875
   10    H    GLN   2           H        GLN   2   3.550  -2.307  -2.874
   11    HA   GLN   2           HA       GLN   2   2.527  -0.903  -5.399
   12   1HB   GLN   2          1HB       GLN   2   2.524  -3.868  -4.555
   13   2HB   GLN   2          2HB       GLN   2   1.648  -3.312  -5.955
   14   1HG   GLN   2          1HG       GLN   2   4.692  -2.902  -5.633
   15   2HG   GLN   2          2HG       GLN   2   3.963  -4.308  -6.380
   16   1HE2  GLN   2          1HE2      GLN   2   5.061  -1.160  -7.068
   17   2HE2  GLN   2          2HE2      GLN   2   4.320  -1.114  -8.754
   18    H    TRP   3           H        TRP   3   1.081  -2.872  -2.811
   19    HA   TRP   3           HA       TRP   3  -1.643  -1.635  -3.373
   20   1HB   TRP   3          1HB       TRP   3  -2.632  -3.463  -2.462
   21   2HB   TRP   3          2HB       TRP   3  -1.330  -4.165  -3.319
   22    HD1  TRP   3           HD1      TRP   3  -3.128  -5.453  -1.052
   23    HE1  TRP   3           HE1      TRP   3  -2.409  -6.182   1.302
   24    HE3  TRP   3           HE3      TRP   3   1.413  -3.035  -0.929
   25    HZ2  TRP   3           HZ2      TRP   3   0.041  -6.116   2.752
   26    HZ3  TRP   3           HZ3      TRP   3   2.834  -3.374   1.053
   27    HH2  TRP   3           HH2      TRP   3   2.173  -4.882   2.851
   28    H    GLN   4           H        GLN   4  -2.996  -1.381  -1.412
   29    HA   GLN   4           HA       GLN   4  -1.576  -0.963   1.199
   30   1HB   GLN   4          1HB       GLN   4  -2.248   1.152   1.835
   31   2HB   GLN   4          2HB       GLN   4  -1.424   1.283   0.325
   32   1HG   GLN   4          1HG       GLN   4  -3.169   2.259  -0.763
   33   2HG   GLN   4          2HG       GLN   4  -4.355   1.124  -0.243
   34   1HE2  GLN   4          1HE2      GLN   4  -4.448   1.372   2.409
   35   2HE2  GLN   4          2HE2      GLN   4  -4.862   3.099   2.868
   36    H    ARG   5           H        ARG   5  -4.899  -0.728  -0.102
   37    HA   ARG   5           HA       ARG   5  -5.830  -2.272   2.397
   38   1HB   ARG   5          1HB       ARG   5  -6.557   0.105   2.148
   39   2HB   ARG   5          2HB       ARG   5  -7.359  -0.267   0.629
   40   1HG   ARG   5          1HG       ARG   5  -8.999  -1.704   1.720
   41   2HG   ARG   5          2HG       ARG   5  -8.122  -1.766   3.228
   42   1HD   ARG   5          1HD       ARG   5  -9.315   0.854   2.047
   43   2HD   ARG   5          2HD       ARG   5 -10.209  -0.229   3.134
   44    HE   ARG   5           HE       ARG   5  -7.628   0.332   4.369
   45   1HH1  ARG   5          2HH2      ARG   5 -10.588   2.025   3.661
   46   2HH1  ARG   5          1HH2      ARG   5 -10.444   3.090   5.141
   47   1HH2  ARG   5          2HH1      ARG   5  -7.508   1.551   6.078
   48   2HH2  ARG   5          1HH1      ARG   5  -8.769   2.816   6.433
   49    H    ASN   6           H        ASN   6  -4.916  -3.980   0.912
   50    HA   ASN   6           HA       ASN   6  -7.299  -5.693   0.762
   51   1HB   ASN   6          1HB       ASN   6  -7.185  -4.837  -1.681
   52   2HB   ASN   6          2HB       ASN   6  -5.667  -5.701  -1.856
   53   1HD2  ASN   6          1HD2      ASN   6  -6.869  -6.804  -3.586
   54   2HD2  ASN   6          2HD2      ASN   6  -7.973  -8.195  -3.101
   55    H    ILE   7           H        ILE   7  -5.643  -5.891   2.657
   56    HA   ILE   7           HA       ILE   7  -3.299  -7.599   2.039
   57    HB   ILE   7           HB       ILE   7  -4.111  -6.788   4.882
   58   1HG1  ILE   7          1HG1      ILE   7  -2.774  -5.023   2.785
   59   2HG1  ILE   7          2HG1      ILE   7  -4.085  -4.661   3.855
   60   1HG2  ILE   7          1HG2      ILE   7  -1.411  -7.568   3.610
   61   2HG2  ILE   7          2HG2      ILE   7  -1.654  -7.098   5.313
   62   3HG2  ILE   7          3HG2      ILE   7  -2.394  -8.575   4.691
   63   1HD1  ILE   7          1HD1      ILE   7  -1.109  -4.867   4.635
   64   2HD1  ILE   7          2HD1      ILE   7  -2.094  -3.405   4.517
   65   3HD1  ILE   7          3HD1      ILE   7  -2.420  -4.587   5.814
   66    H    ARG   8           H        ARG   8  -5.857  -8.177   4.443
   67    HA   ARG   8           HA       ARG   8  -6.914 -10.228   5.159
   68   1HB   ARG   8          1HB       ARG   8  -7.336 -10.365   2.149
   69   2HB   ARG   8          2HB       ARG   8  -8.411 -10.956   3.390
   70   1HG   ARG   8          1HG       ARG   8  -7.793  -8.024   2.711
   71   2HG   ARG   8          2HG       ARG   8  -9.265  -8.868   2.340
   72   1HD   ARG   8          1HD       ARG   8  -8.371  -8.471   5.283
   73   2HD   ARG   8          2HD       ARG   8  -9.143  -7.176   4.435
   74    HE   ARG   8           HE       ARG   8 -10.431  -9.763   5.330
   75   1HH1  ARG   8          2HH2      ARG   8 -10.887  -6.974   3.305
   76   2HH1  ARG   8          1HH2      ARG   8 -12.709  -7.084   3.429
   77   1HH2  ARG   8          2HH1      ARG   8 -12.505  -9.848   5.469
   78   2HH2  ARG   8          1HH1      ARG   8 -13.556  -8.648   4.595
   79    H    LYS   9           H        LYS   9  -4.461 -11.044   5.433
   80    HA   LYS   9           HA       LYS   9  -3.788 -13.477   3.956
   81   1HB   LYS   9          1HB       LYS   9  -2.759 -12.469   6.685
   82   2HB   LYS   9          2HB       LYS   9  -2.028 -13.769   5.769
   83   1HG   LYS   9          1HG       LYS   9  -1.664 -12.156   3.805
   84   2HG   LYS   9          2HG       LYS   9  -2.169 -10.841   4.832
   85   1HD   LYS   9          1HD       LYS   9   0.243 -12.719   5.317
   86   2HD   LYS   9          2HD       LYS   9   0.312 -11.100   4.644
   87   1HE   LYS   9          1HE       LYS   9  -0.631 -10.164   6.863
   88   2HE   LYS   9          2HE       LYS   9  -0.562 -11.794   7.544
   89   1HZ   LYS   9          1HZ       LYS   9   1.825 -10.297   6.439
   90   2HZ   LYS   9          2HZ       LYS   9   1.544 -10.552   8.037
   91   3HZ   LYS   9          3HZ       LYS   9   1.900 -11.814   7.045
   92    H    VAL  10           H        VAL  10  -3.188 -15.583   5.208
   93    HA   VAL  10           HA       VAL  10  -5.488 -17.084   5.780
   94    HB   VAL  10           HB       VAL  10  -4.056 -18.840   6.818
   95   1HG1  VAL  10          1HG1      VAL  10  -2.920 -17.717   4.180
   96   2HG1  VAL  10          2HG1      VAL  10  -2.764 -19.386   4.775
   97   3HG1  VAL  10          3HG1      VAL  10  -4.359 -18.748   4.345
   98   1HG2  VAL  10          1HG2      VAL  10  -1.571 -18.677   6.845
   99   2HG2  VAL  10          2HG2      VAL  10  -1.643 -16.948   6.446
  100   3HG2  VAL  10          3HG2      VAL  10  -2.279 -17.543   8.000
  101    H    ARG  11           H        ARG  11  -3.601 -15.653   8.398
  102    HA   ARG  11           HA       ARG  11  -4.284 -14.909  10.565
  103   1HB   ARG  11          1HB       ARG  11  -6.885 -14.645   9.023
  104   2HB   ARG  11          2HB       ARG  11  -6.678 -14.017  10.644
  105   1HG   ARG  11          1HG       ARG  11  -4.853 -12.484   9.957
  106   2HG   ARG  11          2HG       ARG  11  -4.768 -13.226   8.368
  107   1HD   ARG  11          1HD       ARG  11  -5.968 -11.215   7.966
  108   2HD   ARG  11          2HD       ARG  11  -7.137 -12.498   7.868
  109    HE   ARG  11           HE       ARG  11  -8.208 -11.775   9.946
  110   1HH1  ARG  11          2HH2      ARG  11  -5.345  -9.888   9.399
  111   2HH1  ARG  11          1HH2      ARG  11  -5.852  -8.617  10.614
  112   1HH2  ARG  11          2HH1      ARG  11  -8.759 -10.317  11.317
  113   2HH2  ARG  11          1HH1      ARG  11  -7.698  -8.876  11.642
  114   1HN   NH2  12          1HN       NH2  12  -5.282 -18.023  12.199
  115   2HN   NH2  12          2HN       NH2  12  -3.861 -17.373  11.230
  116   1H2   DAO  13          1H2       DAO  13   1.163  -0.778   1.412
  117   2H2   DAO  13          2H2       DAO  13   2.710  -1.257   2.051
  118   1H3   DAO  13          1H3       DAO  13   1.505   1.534   2.634
  119   2H3   DAO  13          2H3       DAO  13   1.114   0.117   3.603
  120   1H4   DAO  13          1H4       DAO  13   3.535  -0.256   4.130
  121   2H4   DAO  13          2H4       DAO  13   3.992   1.157   3.172
  122   1H5   DAO  13          1H5       DAO  13   2.093   1.286   5.613
  123   2H5   DAO  13          2H5       DAO  13   2.663   2.661   4.670
  124   1H6   DAO  13          1H6       DAO  13   4.427   0.746   6.332
  125   2H6   DAO  13          2H6       DAO  13   5.086   2.050   5.354
  126   1H7   DAO  13          1H7       DAO  13   3.052   2.475   7.649
  127   2H7   DAO  13          2H7       DAO  13   4.778   2.516   7.883
  128   1H8   DAO  13          1H8       DAO  13   5.018   4.636   7.126
  129   2H8   DAO  13          2H8       DAO  13   4.130   4.362   5.653
  130   1H9   DAO  13          1H9       DAO  13   3.182   6.155   7.188
  131   2H9   DAO  13          2H9       DAO  13   2.792   4.928   8.385
  132   1H10  DAO  13          1H10      DAO  13   1.698   4.982   5.483
  133   2H10  DAO  13          2H10      DAO  13   1.254   3.790   6.703
  134   1H11  DAO  13          1H11      DAO  13   0.295   5.649   8.160
  135   2H11  DAO  13          2H11      DAO  13   0.734   6.833   6.926
  136   1H12  DAO  13          1H12      DAO  13  -1.681   6.190   6.696
  137   2H12  DAO  13          2H12      DAO  13  -0.792   5.660   5.249
  138   3H12  DAO  13          3H12      DAO  13  -1.244   4.476   6.504
  Start of MODEL   15
    1   1H    PHE   1          1H        PHE   1   2.953  -1.341   1.810
    2    HA   PHE   1           HA       PHE   1   3.775   0.098  -0.227
    3   1HB   PHE   1          1HB       PHE   1   5.319  -2.496   0.225
    4   2HB   PHE   1          2HB       PHE   1   5.907  -0.898  -0.069
    5    HD1  PHE   1           HD1      PHE   1   5.076  -3.353   2.441
    6    HD2  PHE   1           HD2      PHE   1   5.618   0.881   1.907
    7    HE1  PHE   1           HE1      PHE   1   5.258  -3.071   4.866
    8    HE2  PHE   1           HE2      PHE   1   5.798   1.154   4.343
    9    HZ   PHE   1           HZ       PHE   1   5.621  -0.816   5.836
   10    H    GLN   2           H        GLN   2   3.470  -3.407  -0.641
   11    HA   GLN   2           HA       GLN   2   3.225  -3.301  -3.651
   12   1HB   GLN   2          1HB       GLN   2   2.686  -5.586  -1.646
   13   2HB   GLN   2          2HB       GLN   2   2.584  -5.785  -3.375
   14   1HG   GLN   2          1HG       GLN   2   5.208  -4.901  -1.994
   15   2HG   GLN   2          2HG       GLN   2   4.731  -6.571  -2.175
   16   1HE2  GLN   2          1HE2      GLN   2   5.486  -3.689  -4.105
   17   2HE2  GLN   2          2HE2      GLN   2   6.032  -4.698  -5.551
   18    H    TRP   3           H        TRP   3   0.911  -3.686  -0.995
   19    HA   TRP   3           HA       TRP   3  -1.387  -3.938  -2.966
   20   1HB   TRP   3          1HB       TRP   3  -2.662  -4.932  -1.320
   21   2HB   TRP   3          2HB       TRP   3  -1.101  -5.575  -1.035
   22    HD1  TRP   3           HD1      TRP   3  -3.926  -3.677   0.485
   23    HE1  TRP   3           HE1      TRP   3  -3.551  -2.747   2.941
   24    HE3  TRP   3           HE3      TRP   3   1.008  -4.856   0.787
   25    HZ2  TRP   3           HZ2      TRP   3  -1.342  -2.832   4.710
   26    HZ3  TRP   3           HZ3      TRP   3   2.191  -4.498   2.947
   27    HH2  TRP   3           HH2      TRP   3   1.041  -3.492   4.862
   28    H    GLN   4           H        GLN   4  -3.401  -2.864  -2.463
   29    HA   GLN   4           HA       GLN   4  -3.072   0.059  -1.794
   30   1HB   GLN   4          1HB       GLN   4  -5.364   0.362  -2.792
   31   2HB   GLN   4          2HB       GLN   4  -4.012  -0.042  -3.807
   32   1HG   GLN   4          1HG       GLN   4  -5.952  -1.193  -4.633
   33   2HG   GLN   4          2HG       GLN   4  -4.788  -2.372  -4.138
   34   1HE2  GLN   4          1HE2      GLN   4  -5.308  -3.639  -2.317
   35   2HE2  GLN   4          2HE2      GLN   4  -6.977  -3.588  -1.554
   36    H    ARG   5           H        ARG   5  -6.182  -1.293  -0.945
   37    HA   ARG   5           HA       ARG   5  -5.546  -0.783   2.016
   38   1HB   ARG   5          1HB       ARG   5  -7.702   0.338   2.332
   39   2HB   ARG   5          2HB       ARG   5  -6.583   1.180   1.319
   40   1HG   ARG   5          1HG       ARG   5  -8.251  -0.370  -0.525
   41   2HG   ARG   5          2HG       ARG   5  -9.335   0.149   0.723
   42   1HD   ARG   5          1HD       ARG   5  -9.292   1.730  -1.202
   43   2HD   ARG   5          2HD       ARG   5  -8.787   2.552   0.292
   44    HE   ARG   5           HE       ARG   5  -6.349   1.597  -0.780
   45   1HH1  ARG   5          2HH2      ARG   5  -8.825   3.732  -1.972
   46   2HH1  ARG   5          1HH2      ARG   5  -7.622   4.800  -2.846
   47   1HH2  ARG   5          2HH1      ARG   5  -4.988   2.854  -1.776
   48   2HH2  ARG   5          1HH1      ARG   5  -5.548   4.298  -2.731
   49    H    ASN   6           H        ASN   6  -5.787  -3.352   0.681
   50    HA   ASN   6           HA       ASN   6  -7.620  -4.666   2.747
   51   1HB   ASN   6          1HB       ASN   6  -8.936  -4.350   0.578
   52   2HB   ASN   6          2HB       ASN   6  -7.759  -5.347  -0.263
   53   1HD2  ASN   6          1HD2      ASN   6  -9.177  -6.974  -0.790
   54   2HD2  ASN   6          2HD2      ASN   6 -10.127  -7.934   0.453
   55    H    ILE   7           H        ILE   7  -5.799  -5.432   3.851
   56    HA   ILE   7           HA       ILE   7  -3.586  -6.710   2.458
   57    HB   ILE   7           HB       ILE   7  -3.712  -7.338   5.421
   58   1HG1  ILE   7          1HG1      ILE   7  -3.398  -4.444   4.572
   59   2HG1  ILE   7          2HG1      ILE   7  -4.633  -5.118   5.599
   60   1HG2  ILE   7          1HG2      ILE   7  -1.298  -6.953   5.251
   61   2HG2  ILE   7          2HG2      ILE   7  -1.799  -7.986   3.906
   62   3HG2  ILE   7          3HG2      ILE   7  -1.467  -6.262   3.621
   63   1HD1  ILE   7          1HD1      ILE   7  -2.853  -5.739   7.333
   64   2HD1  ILE   7          2HD1      ILE   7  -1.639  -4.924   6.315
   65   3HD1  ILE   7          3HD1      ILE   7  -2.973  -3.990   7.010
   66    H    ARG   8           H        ARG   8  -5.511  -8.323   4.971
   67    HA   ARG   8           HA       ARG   8  -6.197 -10.561   5.279
   68   1HB   ARG   8          1HB       ARG   8  -7.093 -10.414   2.383
   69   2HB   ARG   8          2HB       ARG   8  -7.855 -11.269   3.709
   70   1HG   ARG   8          1HG       ARG   8  -7.777  -8.251   3.227
   71   2HG   ARG   8          2HG       ARG   8  -9.170  -9.275   3.048
   72   1HD   ARG   8          1HD       ARG   8  -7.786  -8.909   5.797
   73   2HD   ARG   8          2HD       ARG   8  -8.872  -7.702   5.194
   74    HE   ARG   8           HE       ARG   8  -9.616 -10.401   6.254
   75   1HH1  ARG   8          2HH2      ARG   8 -10.793  -7.761   4.305
   76   2HH1  ARG   8          1HH2      ARG   8 -12.523  -8.055   4.822
   77   1HH2  ARG   8          2HH1      ARG   8 -11.594 -10.702   6.824
   78   2HH2  ARG   8          1HH1      ARG   8 -12.932  -9.660   6.165
   79    H    LYS   9           H        LYS   9  -3.405 -10.617   4.460
   80    HA   LYS   9           HA       LYS   9  -3.051 -13.097   2.833
   81   1HB   LYS   9          1HB       LYS   9  -1.570 -11.119   2.738
   82   2HB   LYS   9          2HB       LYS   9  -1.033 -11.386   4.391
   83   1HG   LYS   9          1HG       LYS   9   0.110 -13.446   3.826
   84   2HG   LYS   9          2HG       LYS   9  -0.646 -13.586   2.255
   85   1HD   LYS   9          1HD       LYS   9   1.165 -11.189   2.996
   86   2HD   LYS   9          2HD       LYS   9   1.867 -12.688   2.468
   87   1HE   LYS   9          1HE       LYS   9  -0.210 -11.131   0.752
   88   2HE   LYS   9          2HE       LYS   9   1.518 -10.817   0.671
   89   1HZ   LYS   9          1HZ       LYS   9   0.324 -13.543   0.161
   90   2HZ   LYS   9          2HZ       LYS   9   0.812 -12.521  -1.032
   91   3HZ   LYS   9          3HZ       LYS   9   1.907 -13.168   0.010
   92    H    VAL  10           H        VAL  10  -4.551 -14.107   4.317
   93    HA   VAL  10           HA       VAL  10  -3.163 -16.066   6.197
   94    HB   VAL  10           HB       VAL  10  -5.041 -15.857   7.884
   95   1HG1  VAL  10          1HG1      VAL  10  -2.749 -14.936   8.333
   96   2HG1  VAL  10          2HG1      VAL  10  -3.268 -13.349   7.733
   97   3HG1  VAL  10          3HG1      VAL  10  -4.025 -14.046   9.184
   98   1HG2  VAL  10          1HG2      VAL  10  -5.670 -13.112   6.624
   99   2HG2  VAL  10          2HG2      VAL  10  -6.763 -14.521   6.650
  100   3HG2  VAL  10          3HG2      VAL  10  -6.300 -13.733   8.166
  101    H    ARG  11           H        ARG  11  -6.214 -15.381   4.509
  102    HA   ARG  11           HA       ARG  11  -7.406 -17.989   4.939
  103   1HB   ARG  11          1HB       ARG  11  -8.058 -16.193   2.535
  104   2HB   ARG  11          2HB       ARG  11  -9.046 -17.430   3.241
  105   1HG   ARG  11          1HG       ARG  11 -10.138 -15.791   4.360
  106   2HG   ARG  11          2HG       ARG  11  -8.800 -15.794   5.471
  107   1HD   ARG  11          1HD       ARG  11  -9.164 -13.487   4.878
  108   2HD   ARG  11          2HD       ARG  11  -7.678 -13.915   4.078
  109    HE   ARG  11           HE       ARG  11 -10.457 -13.785   2.712
  110   1HH1  ARG  11          2HH2      ARG  11  -6.968 -13.424   2.310
  111   2HH1  ARG  11          1HH2      ARG  11  -7.189 -13.194   0.517
  112   1HH2  ARG  11          2HH1      ARG  11 -10.599 -13.412   0.698
  113   2HH2  ARG  11          1HH1      ARG  11  -9.117 -13.143  -0.319
  114   1HN   NH2  12          1HN       NH2  12  -5.686 -20.076   2.545
  115   2HN   NH2  12          2HN       NH2  12  -6.093 -19.790   4.311
  116   1H2   DAO  13          1H2       DAO  13  -0.572  -1.111   1.026
  117   2H2   DAO  13          2H2       DAO  13   0.482  -1.280   2.397
  118   1H3   DAO  13          1H3       DAO  13  -1.120   1.252   1.714
  119   2H3   DAO  13          2H3       DAO  13  -1.553   0.012   2.887
  120   1H4   DAO  13          1H4       DAO  13   0.795   0.518   4.019
  121   2H4   DAO  13          2H4       DAO  13   0.815   1.979   3.033
  122   1H5   DAO  13          1H5       DAO  13  -1.292   1.154   5.133
  123   2H5   DAO  13          2H5       DAO  13  -1.562   2.515   4.062
  124   1H6   DAO  13          1H6       DAO  13  -0.690   3.012   6.423
  125   2H6   DAO  13          2H6       DAO  13   0.870   2.339   5.982
  126   1H7   DAO  13          1H7       DAO  13   1.266   4.110   4.309
  127   2H7   DAO  13          2H7       DAO  13  -0.429   4.587   4.311
  128   1H8   DAO  13          1H8       DAO  13  -0.199   5.304   6.757
  129   2H8   DAO  13          2H8       DAO  13   1.536   5.004   6.662
  130   1H9   DAO  13          1H9       DAO  13   0.092   6.878   4.672
  131   2H9   DAO  13          2H9       DAO  13   1.830   6.759   4.944
  132   1H10  DAO  13          1H10      DAO  13  -0.229   7.695   7.061
  133   2H10  DAO  13          2H10      DAO  13   1.521   7.688   7.289
  134   1H11  DAO  13          1H11      DAO  13   1.804   9.391   5.466
  135   2H11  DAO  13          2H11      DAO  13   0.087   9.310   5.071
  136   1H12  DAO  13          1H12      DAO  13   0.555  11.321   6.489
  137   2H12  DAO  13          2H12      DAO  13  -0.518  10.207   7.364
  138   3H12  DAO  13          3H12      DAO  13   1.212  10.296   7.788
  Start of MODEL   16
    1   1H    PHE   1          1H        PHE   1   3.045  -2.321   1.755
    2    HA   PHE   1           HA       PHE   1   4.235  -0.833  -0.041
    3   1HB   PHE   1          1HB       PHE   1   5.195  -3.727   0.079
    4   2HB   PHE   1          2HB       PHE   1   6.113  -2.260  -0.016
    5    HD1  PHE   1           HD1      PHE   1   5.960  -0.635   2.148
    6    HD2  PHE   1           HD2      PHE   1   4.851  -4.792   2.176
    7    HE1  PHE   1           HE1      PHE   1   6.056  -0.654   4.600
    8    HE2  PHE   1           HE2      PHE   1   4.952  -4.804   4.618
    9    HZ   PHE   1           HZ       PHE   1   5.556  -2.735   5.854
   10    H    GLN   2           H        GLN   2   3.349  -4.135  -1.021
   11    HA   GLN   2           HA       GLN   2   3.005  -3.306  -3.925
   12   1HB   GLN   2          1HB       GLN   2   4.108  -5.480  -3.243
   13   2HB   GLN   2          2HB       GLN   2   2.579  -6.050  -2.580
   14   1HG   GLN   2          1HG       GLN   2   1.538  -5.892  -4.895
   15   2HG   GLN   2          2HG       GLN   2   3.044  -5.253  -5.532
   16   1HE2  GLN   2          1HE2      GLN   2   1.332  -8.073  -5.269
   17   2HE2  GLN   2          2HE2      GLN   2   2.772  -9.197  -5.519
   18    H    TRP   3           H        TRP   3   0.856  -3.901  -1.184
   19    HA   TRP   3           HA       TRP   3  -1.580  -3.962  -2.996
   20   1HB   TRP   3          1HB       TRP   3  -2.815  -4.930  -1.323
   21   2HB   TRP   3          2HB       TRP   3  -1.292  -5.696  -1.153
   22    HD1  TRP   3           HD1      TRP   3  -3.889  -3.680   0.560
   23    HE1  TRP   3           HE1      TRP   3  -3.320  -2.805   3.006
   24    HE3  TRP   3           HE3      TRP   3   0.936  -5.244   0.640
   25    HZ2  TRP   3           HZ2      TRP   3  -1.126  -3.256   4.735
   26    HZ3  TRP   3           HZ3      TRP   3   2.178  -5.164   2.809
   27    HH2  TRP   3           HH2      TRP   3   1.178  -4.157   4.790
   28    H    GLN   4           H        GLN   4  -3.506  -2.805  -2.230
   29    HA   GLN   4           HA       GLN   4  -2.927   0.078  -1.473
   30   1HB   GLN   4          1HB       GLN   4  -5.215   0.573  -2.443
   31   2HB   GLN   4          2HB       GLN   4  -3.888   0.189  -3.497
   32   1HG   GLN   4          1HG       GLN   4  -5.951  -0.815  -4.340
   33   2HG   GLN   4          2HG       GLN   4  -4.756  -2.031  -4.054
   34   1HE2  GLN   4          1HE2      GLN   4  -5.250  -3.615  -2.570
   35   2HE2  GLN   4          2HE2      GLN   4  -6.734  -3.556  -1.493
   36    H    ARG   5           H        ARG   5  -6.152  -0.961  -0.769
   37    HA   ARG   5           HA       ARG   5  -5.492  -1.120   2.230
   38   1HB   ARG   5          1HB       ARG   5  -6.248   1.134   1.864
   39   2HB   ARG   5          2HB       ARG   5  -7.689   0.616   1.001
   40   1HG   ARG   5          1HG       ARG   5  -8.757  -0.247   2.947
   41   2HG   ARG   5          2HG       ARG   5  -7.300  -0.394   3.887
   42   1HD   ARG   5          1HD       ARG   5  -8.406   2.374   3.021
   43   2HD   ARG   5          2HD       ARG   5  -9.015   1.503   4.440
   44    HE   ARG   5           HE       ARG   5  -6.040   1.645   4.459
   45   1HH1  ARG   5          2HH2      ARG   5  -8.866   3.515   5.254
   46   2HH1  ARG   5          1HH2      ARG   5  -8.004   4.406   6.599
   47   1HH2  ARG   5          2HH1      ARG   5  -5.086   2.675   6.006
   48   2HH2  ARG   5          1HH1      ARG   5  -5.960   3.938   6.983
   49    H    ASN   6           H        ASN   6  -5.448  -3.311   1.384
   50    HA   ASN   6           HA       ASN   6  -7.741  -4.765   2.539
   51   1HB   ASN   6          1HB       ASN   6  -8.554  -4.322   0.075
   52   2HB   ASN   6          2HB       ASN   6  -7.299  -5.414  -0.454
   53   1HD2  ASN   6          1HD2      ASN   6 -10.503  -5.256   0.542
   54   2HD2  ASN   6          2HD2      ASN   6 -10.699  -7.073   0.743
   55    H    ILE   7           H        ILE   7  -5.796  -5.293   3.827
   56    HA   ILE   7           HA       ILE   7  -3.607  -6.708   2.736
   57    HB   ILE   7           HB       ILE   7  -4.229  -7.204   5.703
   58   1HG1  ILE   7          1HG1      ILE   7  -3.274  -4.566   4.592
   59   2HG1  ILE   7          2HG1      ILE   7  -4.629  -4.864   5.635
   60   1HG2  ILE   7          1HG2      ILE   7  -1.593  -6.826   4.167
   61   2HG2  ILE   7          2HG2      ILE   7  -1.791  -7.366   5.859
   62   3HG2  ILE   7          3HG2      ILE   7  -2.322  -8.410   4.543
   63   1HD1  ILE   7          1HD1      ILE   7  -2.984  -5.554   7.506
   64   2HD1  ILE   7          2HD1      ILE   7  -1.653  -5.092   6.418
   65   3HD1  ILE   7          3HD1      ILE   7  -2.804  -3.863   6.955
   66    H    ARG   8           H        ARG   8  -5.415  -8.550   5.180
   67    HA   ARG   8           HA       ARG   8  -6.425 -10.579   5.249
   68   1HB   ARG   8          1HB       ARG   8  -7.227 -10.285   2.340
   69   2HB   ARG   8          2HB       ARG   8  -8.056 -11.162   3.604
   70   1HG   ARG   8          1HG       ARG   8  -7.919  -8.153   3.125
   71   2HG   ARG   8          2HG       ARG   8  -9.313  -9.169   3.164
   72   1HD   ARG   8          1HD       ARG   8  -9.729  -8.528   5.292
   73   2HD   ARG   8          2HD       ARG   8  -8.317  -9.439   5.850
   74    HE   ARG   8           HE       ARG   8  -7.189  -7.030   4.903
   75   1HH1  ARG   8          2HH2      ARG   8  -9.629  -7.737   7.289
   76   2HH1  ARG   8          1HH2      ARG   8  -9.320  -6.177   8.193
   77   1HH2  ARG   8          2HH1      ARG   8  -6.888  -5.233   5.964
   78   2HH2  ARG   8          1HH1      ARG   8  -7.838  -4.850   7.465
   79    H    LYS   9           H        LYS   9  -3.807 -10.683   3.155
   80    HA   LYS   9           HA       LYS   9  -3.842 -13.519   2.454
   81   1HB   LYS   9          1HB       LYS   9  -2.634 -11.568   1.339
   82   2HB   LYS   9          2HB       LYS   9  -1.511 -11.530   2.696
   83   1HG   LYS   9          1HG       LYS   9  -0.840 -13.962   2.050
   84   2HG   LYS   9          2HG       LYS   9  -1.850 -13.801   0.622
   85   1HD   LYS   9          1HD       LYS   9  -0.516 -11.896  -0.214
   86   2HD   LYS   9          2HD       LYS   9   0.381 -11.738   1.277
   87   1HE   LYS   9          1HE       LYS   9   0.535 -14.237  -0.564
   88   2HE   LYS   9          2HE       LYS   9   1.624 -12.860  -0.687
   89   1HZ   LYS   9          1HZ       LYS   9   2.597 -14.617   0.798
   90   2HZ   LYS   9          2HZ       LYS   9   2.332 -13.247   1.671
   91   3HZ   LYS   9          3HZ       LYS   9   1.313 -14.513   1.821
   92    H    VAL  10           H        VAL  10  -4.510 -13.902   4.875
   93    HA   VAL  10           HA       VAL  10  -2.364 -15.686   6.013
   94    HB   VAL  10           HB       VAL  10  -2.838 -14.921   8.443
   95   1HG1  VAL  10          1HG1      VAL  10  -0.898 -13.444   8.524
   96   2HG1  VAL  10          2HG1      VAL  10  -0.600 -14.733   7.341
   97   3HG1  VAL  10          3HG1      VAL  10  -1.013 -13.095   6.786
   98   1HG2  VAL  10          1HG2      VAL  10  -4.623 -13.125   8.019
   99   2HG2  VAL  10          2HG2      VAL  10  -3.211 -12.511   8.899
  100   3HG2  VAL  10          3HG2      VAL  10  -3.404 -12.163   7.167
  101    H    ARG  11           H        ARG  11  -5.181 -14.873   7.895
  102    HA   ARG  11           HA       ARG  11  -7.194 -16.064   8.368
  103   1HB   ARG  11          1HB       ARG  11  -7.099 -16.655   5.379
  104   2HB   ARG  11          2HB       ARG  11  -8.509 -16.863   6.378
  105   1HG   ARG  11          1HG       ARG  11  -7.153 -14.125   5.840
  106   2HG   ARG  11          2HG       ARG  11  -8.480 -14.795   4.943
  107   1HD   ARG  11          1HD       ARG  11  -9.600 -13.331   6.362
  108   2HD   ARG  11          2HD       ARG  11  -9.866 -14.897   7.143
  109    HE   ARG  11           HE       ARG  11  -7.430 -13.587   8.229
  110   1HH1  ARG  11          2HH2      ARG  11 -10.896 -13.386   8.435
  111   2HH1  ARG  11          1HH2      ARG  11 -10.834 -12.655  10.111
  112   1HH2  ARG  11          2HH1      ARG  11  -7.393 -12.766  10.148
  113   2HH2  ARG  11          1HH1      ARG  11  -8.933 -12.329  11.011
  114   1HN   NH2  12          1HN       NH2  12  -5.902 -19.372   9.141
  115   2HN   NH2  12          2HN       NH2  12  -5.512 -17.627   9.564
  116   1H2   DAO  13          1H2       DAO  13  -0.325  -1.284   0.913
  117   2H2   DAO  13          2H2       DAO  13   0.589  -1.862   2.269
  118   1H3   DAO  13          1H3       DAO  13  -0.021   1.126   1.944
  119   2H3   DAO  13          2H3       DAO  13  -1.196   0.013   2.641
  120   1H4   DAO  13          1H4       DAO  13   0.254  -0.635   4.458
  121   2H4   DAO  13          2H4       DAO  13   1.668   0.148   3.783
  122   1H5   DAO  13          1H5       DAO  13   0.342   1.350   5.759
  123   2H5   DAO  13          2H5       DAO  13  -0.831   1.793   4.538
  124   1H6   DAO  13          1H6       DAO  13   1.227   2.787   3.181
  125   2H6   DAO  13          2H6       DAO  13   0.576   3.692   4.524
  126   1H7   DAO  13          1H7       DAO  13   2.892   1.735   5.042
  127   2H7   DAO  13          2H7       DAO  13   3.238   3.242   4.248
  128   1H8   DAO  13          1H8       DAO  13   1.584   3.475   6.815
  129   2H8   DAO  13          2H8       DAO  13   3.212   2.871   6.990
  130   1H9   DAO  13          1H9       DAO  13   4.172   4.873   5.848
  131   2H9   DAO  13          2H9       DAO  13   3.322   5.247   7.335
  132   1H10  DAO  13          1H10      DAO  13   2.046   5.606   4.540
  133   2H10  DAO  13          2H10      DAO  13   1.320   6.040   6.080
  134   1H11  DAO  13          1H11      DAO  13   2.153   8.088   5.178
  135   2H11  DAO  13          2H11      DAO  13   3.278   7.690   6.468
  136   1H12  DAO  13          1H12      DAO  13   3.762   7.158   3.438
  137   2H12  DAO  13          2H12      DAO  13   4.480   8.482   4.385
  138   3H12  DAO  13          3H12      DAO  13   4.935   6.799   4.729
  Start of MODEL   17
    1   1H    PHE   1          1H        PHE   1   1.368   1.720   1.604
    2    HA   PHE   1           HA       PHE   1   1.643   2.582  -0.910
    3   1HB   PHE   1          1HB       PHE   1   4.159   1.613   0.521
    4   2HB   PHE   1          2HB       PHE   1   3.922   3.011  -0.469
    5    HD1  PHE   1           HD1      PHE   1   4.012   1.745   2.892
    6    HD2  PHE   1           HD2      PHE   1   2.356   4.947   0.545
    7    HE1  PHE   1           HE1      PHE   1   3.564   3.008   4.936
    8    HE2  PHE   1           HE2      PHE   1   1.907   6.210   2.603
    9    HZ   PHE   1           HZ       PHE   1   2.511   5.255   4.811
   10    H    GLN   2           H        GLN   2   3.235  -0.397   0.166
   11    HA   GLN   2           HA       GLN   2   3.703  -1.435  -2.592
   12   1HB   GLN   2          1HB       GLN   2   4.627  -3.428  -1.545
   13   2HB   GLN   2          2HB       GLN   2   5.268  -1.955  -0.882
   14   1HG   GLN   2          1HG       GLN   2   5.066  -3.036   1.106
   15   2HG   GLN   2          2HG       GLN   2   3.460  -2.379   1.110
   16   1HE2  GLN   2          1HE2      GLN   2   5.297  -5.264   1.126
   17   2HE2  GLN   2          2HE2      GLN   2   3.828  -6.378   1.097
   18    H    TRP   3           H        TRP   3   0.842  -1.644  -0.687
   19    HA   TRP   3           HA       TRP   3  -0.345  -3.489  -2.785
   20   1HB   TRP   3          1HB       TRP   3  -1.539  -4.780  -1.254
   21   2HB   TRP   3          2HB       TRP   3   0.032  -4.714  -0.578
   22    HD1  TRP   3           HD1      TRP   3  -3.496  -4.382   0.243
   23    HE1  TRP   3           HE1      TRP   3  -4.198  -2.908   2.304
   24    HE3  TRP   3           HE3      TRP   3   1.148  -2.542   1.241
   25    HZ2  TRP   3           HZ2      TRP   3  -2.666  -1.631   4.339
   26    HZ3  TRP   3           HZ3      TRP   3   1.489  -1.226   3.300
   27    HH2  TRP   3           HH2      TRP   3  -0.384  -0.769   4.835
   28    H    GLN   4           H        GLN   4  -2.635  -3.246  -2.963
   29    HA   GLN   4           HA       GLN   4  -3.812  -0.573  -1.948
   30   1HB   GLN   4          1HB       GLN   4  -4.702   0.049  -3.988
   31   2HB   GLN   4          2HB       GLN   4  -3.120  -0.509  -4.387
   32   1HG   GLN   4          1HG       GLN   4  -4.005  -1.850  -5.986
   33   2HG   GLN   4          2HG       GLN   4  -4.700  -2.884  -4.781
   34   1HE2  GLN   4          1HE2      GLN   4  -6.791  -1.221  -3.839
   35   2HE2  GLN   4          2HE2      GLN   4  -7.847  -0.815  -5.287
   36    H    ARG   5           H        ARG   5  -4.395  -3.818  -1.681
   37    HA   ARG   5           HA       ARG   5  -7.443  -3.538  -1.588
   38   1HB   ARG   5          1HB       ARG   5  -5.642  -6.018  -1.583
   39   2HB   ARG   5          2HB       ARG   5  -7.385  -6.081  -1.493
   40   1HG   ARG   5          1HG       ARG   5  -5.977  -4.788  -3.930
   41   2HG   ARG   5          2HG       ARG   5  -6.111  -6.511  -3.750
   42   1HD   ARG   5          1HD       ARG   5  -7.925  -6.011  -5.124
   43   2HD   ARG   5          2HD       ARG   5  -8.657  -6.312  -3.542
   44    HE   ARG   5           HE       ARG   5  -8.056  -3.407  -3.991
   45   1HH1  ARG   5          2HH2      ARG   5 -10.367  -5.853  -4.875
   46   2HH1  ARG   5          1HH2      ARG   5 -11.678  -4.612  -5.170
   47   1HH2  ARG   5          2HH1      ARG   5  -9.578  -2.046  -4.256
   48   2HH2  ARG   5          1HH1      ARG   5 -11.228  -2.553  -4.843
   49    H    ASN   6           H        ASN   6  -5.966  -5.907   0.535
   50    HA   ASN   6           HA       ASN   6  -6.165  -4.206   2.987
   51   1HB   ASN   6          1HB       ASN   6  -8.614  -4.861   2.387
   52   2HB   ASN   6          2HB       ASN   6  -8.185  -6.530   2.646
   53   1HD2  ASN   6          1HD2      ASN   6  -8.096  -3.365   4.311
   54   2HD2  ASN   6          2HD2      ASN   6  -8.645  -4.066   5.918
   55    H    ILE   7           H        ILE   7  -4.374  -4.885   4.042
   56    HA   ILE   7           HA       ILE   7  -2.699  -6.643   2.979
   57    HB   ILE   7           HB       ILE   7  -1.708  -6.698   5.694
   58   1HG1  ILE   7          1HG1      ILE   7  -2.760  -3.918   5.089
   59   2HG1  ILE   7          2HG1      ILE   7  -3.442  -5.011   6.276
   60   1HG2  ILE   7          1HG2      ILE   7   0.089  -5.309   4.791
   61   2HG2  ILE   7          2HG2      ILE   7  -0.329  -6.601   3.659
   62   3HG2  ILE   7          3HG2      ILE   7  -0.873  -4.943   3.348
   63   1HD1  ILE   7          1HD1      ILE   7  -1.223  -5.021   7.555
   64   2HD1  ILE   7          2HD1      ILE   7  -0.603  -3.807   6.405
   65   3HD1  ILE   7          3HD1      ILE   7  -1.985  -3.417   7.443
   66    H    ARG   8           H        ARG   8  -3.425  -7.780   6.253
   67    HA   ARG   8           HA       ARG   8  -4.010  -9.898   7.125
   68   1HB   ARG   8          1HB       ARG   8  -5.838 -10.009   4.684
   69   2HB   ARG   8          2HB       ARG   8  -6.168 -10.646   6.283
   70   1HG   ARG   8          1HG       ARG   8  -6.128  -7.712   5.427
   71   2HG   ARG   8          2HG       ARG   8  -7.536  -8.649   5.815
   72   1HD   ARG   8          1HD       ARG   8  -5.340  -8.045   7.913
   73   2HD   ARG   8          2HD       ARG   8  -6.587  -6.895   7.563
   74    HE   ARG   8           HE       ARG   8  -6.910  -9.462   9.091
   75   1HH1  ARG   8          2HH2      ARG   8  -8.682  -7.016   7.353
   76   2HH1  ARG   8          1HH2      ARG   8 -10.149  -7.216   8.436
   77   1HH2  ARG   8          2HH1      ARG   8  -8.613  -9.699  10.253
   78   2HH2  ARG   8          1HH1      ARG   8 -10.111  -8.714   9.952
   79    H    LYS   9           H        LYS   9  -4.917 -12.287   6.242
   80    HA   LYS   9           HA       LYS   9  -3.263 -13.294   3.961
   81   1HB   LYS   9          1HB       LYS   9  -2.369 -15.295   5.020
   82   2HB   LYS   9          2HB       LYS   9  -1.675 -13.835   5.689
   83   1HG   LYS   9          1HG       LYS   9  -2.942 -14.050   7.785
   84   2HG   LYS   9          2HG       LYS   9  -3.968 -15.324   7.127
   85   1HD   LYS   9          1HD       LYS   9  -2.005 -16.866   6.906
   86   2HD   LYS   9          2HD       LYS   9  -0.914 -15.617   7.515
   87   1HE   LYS   9          1HE       LYS   9  -2.123 -15.574   9.733
   88   2HE   LYS   9          2HE       LYS   9  -3.325 -16.726   9.141
   89   1HZ   LYS   9          1HZ       LYS   9  -1.486 -17.878  10.397
   90   2HZ   LYS   9          2HZ       LYS   9  -1.517 -18.400   8.839
   91   3HZ   LYS   9          3HZ       LYS   9  -0.367 -17.338   9.318
   92    H    VAL  10           H        VAL  10  -5.702 -12.770   3.653
   93    HA   VAL  10           HA       VAL  10  -7.263 -15.340   3.445
   94    HB   VAL  10           HB       VAL  10  -9.334 -14.265   4.616
   95   1HG1  VAL  10          1HG1      VAL  10  -8.183 -16.337   5.432
   96   2HG1  VAL  10          2HG1      VAL  10  -7.099 -15.344   6.428
   97   3HG1  VAL  10          3HG1      VAL  10  -8.845 -15.359   6.754
   98   1HG2  VAL  10          1HG2      VAL  10  -8.332 -11.978   5.159
   99   2HG2  VAL  10          2HG2      VAL  10  -9.010 -12.826   6.562
  100   3HG2  VAL  10          3HG2      VAL  10  -7.252 -12.773   6.318
  101    H    ARG  11           H        ARG  11  -7.391 -11.855   2.695
  102    HA   ARG  11           HA       ARG  11  -9.709 -12.171   0.828
  103   1HB   ARG  11          1HB       ARG  11  -7.681  -9.856   1.085
  104   2HB   ARG  11          2HB       ARG  11  -8.983  -9.896  -0.067
  105   1HG   ARG  11          1HG       ARG  11  -9.932  -8.582   1.543
  106   2HG   ARG  11          2HG       ARG  11 -10.673 -10.129   1.891
  107   1HD   ARG  11          1HD       ARG  11  -8.936 -10.459   3.785
  108   2HD   ARG  11          2HD       ARG  11  -8.214  -8.928   3.359
  109    HE   ARG  11           HE       ARG  11  -9.990  -7.728   4.427
  110   1HH1  ARG  11          2HH2      ARG  11 -10.901 -11.084   4.210
  111   2HH1  ARG  11          1HH2      ARG  11 -12.364 -10.844   5.282
  112   1HH2  ARG  11          2HH1      ARG  11 -11.751  -7.461   5.494
  113   2HH2  ARG  11          1HH1      ARG  11 -12.807  -8.871   5.959
  114   1HN   NH2  12          1HN       NH2  12  -7.890 -13.533  -1.961
  115   2HN   NH2  12          2HN       NH2  12  -9.164 -13.851  -0.679
  116   1H2   DAO  13          1H2       DAO  13  -1.699   0.010   0.997
  117   2H2   DAO  13          2H2       DAO  13  -1.007   0.980   2.271
  118   1H3   DAO  13          1H3       DAO  13  -3.489   1.715   0.593
  119   2H3   DAO  13          2H3       DAO  13  -3.462   1.115   2.251
  120   1H4   DAO  13          1H4       DAO  13  -1.906   3.231   2.744
  121   2H4   DAO  13          2H4       DAO  13  -2.504   3.844   1.205
  122   1H5   DAO  13          1H5       DAO  13  -4.158   3.097   3.702
  123   2H5   DAO  13          2H5       DAO  13  -4.932   3.497   2.175
  124   1H6   DAO  13          1H6       DAO  13  -2.885   5.504   3.261
  125   2H6   DAO  13          2H6       DAO  13  -4.245   5.766   2.204
  126   1H7   DAO  13          1H7       DAO  13  -4.920   6.754   4.269
  127   2H7   DAO  13          2H7       DAO  13  -5.817   5.253   4.200
  128   1H8   DAO  13          1H8       DAO  13  -5.015   5.438   6.463
  129   2H8   DAO  13          2H8       DAO  13  -4.040   4.178   5.730
  130   1H9   DAO  13          1H9       DAO  13  -3.203   7.114   6.249
  131   2H9   DAO  13          2H9       DAO  13  -2.225   6.016   5.287
  132   1H10  DAO  13          1H10      DAO  13  -3.006   5.573   8.229
  133   2H10  DAO  13          2H10      DAO  13  -2.120   4.394   7.273
  134   1H11  DAO  13          1H11      DAO  13  -1.123   7.269   7.845
  135   2H11  DAO  13          2H11      DAO  13  -0.685   5.852   8.786
  136   1H12  DAO  13          1H12      DAO  13   1.138   6.332   7.173
  137   2H12  DAO  13          2H12      DAO  13   0.382   4.787   6.717
  138   3H12  DAO  13          3H12      DAO  13   0.018   6.268   5.797
  Start of MODEL   18
    1   1H    PHE   1          1H        PHE   1   1.358   1.525   1.783
    2    HA   PHE   1           HA       PHE   1   1.827   2.808  -0.480
    3   1HB   PHE   1          1HB       PHE   1   4.207   1.418   0.843
    4   2HB   PHE   1          2HB       PHE   1   4.114   2.991   0.123
    5    HD1  PHE   1           HD1      PHE   1   3.861   1.105   3.187
    6    HD2  PHE   1           HD2      PHE   1   2.632   4.816   1.393
    7    HE1  PHE   1           HE1      PHE   1   3.299   1.983   5.397
    8    HE2  PHE   1           HE2      PHE   1   2.068   5.693   3.615
    9    HZ   PHE   1           HZ       PHE   1   2.397   4.288   5.634
   10    H    GLN   2           H        GLN   2   3.234  -0.404   0.013
   11    HA   GLN   2           HA       GLN   2   3.611  -0.968  -2.918
   12   1HB   GLN   2          1HB       GLN   2   5.170  -1.806  -1.218
   13   2HB   GLN   2          2HB       GLN   2   3.924  -2.682  -0.364
   14   1HG   GLN   2          1HG       GLN   2   4.319  -3.436  -3.303
   15   2HG   GLN   2          2HG       GLN   2   5.670  -3.737  -2.234
   16   1HE2  GLN   2          1HE2      GLN   2   2.488  -4.830  -3.057
   17   2HE2  GLN   2          2HE2      GLN   2   2.589  -6.303  -1.943
   18    H    TRP   3           H        TRP   3   1.201  -2.006  -0.516
   19    HA   TRP   3           HA       TRP   3  -0.287  -3.588  -2.638
   20   1HB   TRP   3          1HB       TRP   3  -1.331  -4.796  -0.991
   21   2HB   TRP   3          2HB       TRP   3   0.246  -4.592  -0.353
   22    HD1  TRP   3           HD1      TRP   3  -3.343  -4.181   0.330
   23    HE1  TRP   3           HE1      TRP   3  -4.039  -2.699   2.437
   24    HE3  TRP   3           HE3      TRP   3   1.329  -2.545   1.482
   25    HZ2  TRP   3           HZ2      TRP   3  -2.542  -1.388   4.423
   26    HZ3  TRP   3           HZ3      TRP   3   1.661  -1.300   3.613
   27    HH2  TRP   3           HH2      TRP   3  -0.237  -0.715   5.038
   28    H    GLN   4           H        GLN   4  -2.612  -3.497  -2.661
   29    HA   GLN   4           HA       GLN   4  -3.736  -0.678  -2.595
   30   1HB   GLN   4          1HB       GLN   4  -5.645  -1.595  -3.953
   31   2HB   GLN   4          2HB       GLN   4  -4.071  -1.449  -4.672
   32   1HG   GLN   4          1HG       GLN   4  -5.099  -3.466  -5.494
   33   2HG   GLN   4          2HG       GLN   4  -3.669  -3.893  -4.626
   34   1HE2  GLN   4          1HE2      GLN   4  -3.955  -4.962  -2.648
   35   2HE2  GLN   4          2HE2      GLN   4  -5.584  -5.594  -2.101
   36    H    ARG   5           H        ARG   5  -6.132  -3.116  -2.036
   37    HA   ARG   5           HA       ARG   5  -6.325  -2.262   0.917
   38   1HB   ARG   5          1HB       ARG   5  -7.815  -0.883  -0.648
   39   2HB   ARG   5          2HB       ARG   5  -8.714  -2.342  -0.984
   40   1HG   ARG   5          1HG       ARG   5  -8.473  -2.125   1.956
   41   2HG   ARG   5          2HG       ARG   5  -8.761  -0.518   1.364
   42   1HD   ARG   5          1HD       ARG   5 -10.925  -1.513   1.920
   43   2HD   ARG   5          2HD       ARG   5 -10.874  -1.360   0.145
   44    HE   ARG   5           HE       ARG   5  -9.693  -3.915   0.731
   45   1HH1  ARG   5          2HH2      ARG   5 -12.856  -2.482   1.109
   46   2HH1  ARG   5          1HH2      ARG   5 -13.709  -4.089   0.905
   47   1HH2  ARG   5          2HH1      ARG   5 -10.686  -5.699   0.497
   48   2HH2  ARG   5          1HH1      ARG   5 -12.506  -5.845   0.572
   49    H    ASN   6           H        ASN   6  -5.174  -4.287   0.890
   50    HA   ASN   6           HA       ASN   6  -6.783  -6.379   2.170
   51   1HB   ASN   6          1HB       ASN   6  -7.284  -6.958  -0.290
   52   2HB   ASN   6          2HB       ASN   6  -5.584  -7.229  -0.553
   53   1HD2  ASN   6          1HD2      ASN   6  -8.166  -8.381   1.682
   54   2HD2  ASN   6          2HD2      ASN   6  -7.617 -10.127   1.513
   55    H    ILE   7           H        ILE   7  -5.280  -6.222   3.892
   56    HA   ILE   7           HA       ILE   7  -2.351  -6.281   3.238
   57    HB   ILE   7           HB       ILE   7  -3.118  -6.179   6.172
   58   1HG1  ILE   7          1HG1      ILE   7  -3.695  -3.793   4.398
   59   2HG1  ILE   7          2HG1      ILE   7  -4.804  -4.629   5.443
   60   1HG2  ILE   7          1HG2      ILE   7  -1.089  -4.780   6.280
   61   2HG2  ILE   7          2HG2      ILE   7  -0.737  -6.222   5.314
   62   3HG2  ILE   7          3HG2      ILE   7  -1.027  -4.662   4.506
   63   1HD1  ILE   7          1HD1      ILE   7  -4.127  -2.470   6.452
   64   2HD1  ILE   7          2HD1      ILE   7  -3.523  -3.788   7.483
   65   3HD1  ILE   7          3HD1      ILE   7  -2.417  -2.912   6.397
   66    H    ARG   8           H        ARG   8  -4.479  -8.054   5.424
   67    HA   ARG   8           HA       ARG   8  -2.509 -10.296   5.873
   68   1HB   ARG   8          1HB       ARG   8  -4.285 -11.136   7.531
   69   2HB   ARG   8          2HB       ARG   8  -3.397  -9.712   7.899
   70   1HG   ARG   8          1HG       ARG   8  -5.864  -8.787   6.567
   71   2HG   ARG   8          2HG       ARG   8  -6.329 -10.084   7.605
   72   1HD   ARG   8          1HD       ARG   8  -6.525  -7.830   8.681
   73   2HD   ARG   8          2HD       ARG   8  -5.475  -8.923   9.606
   74    HE   ARG   8           HE       ARG   8  -3.669  -7.541   7.892
   75   1HH1  ARG   8          2HH2      ARG   8  -5.847  -6.567  10.428
   76   2HH1  ARG   8          1HH2      ARG   8  -4.679  -5.300  11.040
   77   1HH2  ARG   8          2HH1      ARG   8  -2.365  -6.093   8.623
   78   2HH2  ARG   8          1HH1      ARG   8  -2.809  -5.070  10.058
   79    H    LYS   9           H        LYS   9  -2.638 -12.249   4.962
   80    HA   LYS   9           HA       LYS   9  -4.803 -12.829   2.945
   81   1HB   LYS   9          1HB       LYS   9  -2.208 -14.321   3.616
   82   2HB   LYS   9          2HB       LYS   9  -3.299 -14.834   2.363
   83   1HG   LYS   9          1HG       LYS   9  -2.044 -12.008   2.258
   84   2HG   LYS   9          2HG       LYS   9  -1.144 -13.421   1.786
   85   1HD   LYS   9          1HD       LYS   9  -1.994 -12.458  -0.205
   86   2HD   LYS   9          2HD       LYS   9  -2.793 -14.008   0.003
   87   1HE   LYS   9          1HE       LYS   9  -4.906 -12.906   0.754
   88   2HE   LYS   9          2HE       LYS   9  -4.107 -11.334   0.874
   89   1HZ   LYS   9          1HZ       LYS   9  -5.276 -11.409  -1.223
   90   2HZ   LYS   9          2HZ       LYS   9  -3.691 -11.509  -1.622
   91   3HZ   LYS   9          3HZ       LYS   9  -4.623 -12.864  -1.681
   92    H    VAL  10           H        VAL  10  -6.391 -12.943   4.445
   93    HA   VAL  10           HA       VAL  10  -7.015 -15.840   5.146
   94    HB   VAL  10           HB       VAL  10  -6.469 -13.676   7.071
   95   1HG1  VAL  10          1HG1      VAL  10  -9.231 -14.904   7.551
   96   2HG1  VAL  10          2HG1      VAL  10  -8.283 -13.881   8.673
   97   3HG1  VAL  10          3HG1      VAL  10  -8.900 -13.193   7.159
   98   1HG2  VAL  10          1HG2      VAL  10  -7.212 -16.622   7.532
   99   2HG2  VAL  10          2HG2      VAL  10  -5.579 -15.996   7.204
  100   3HG2  VAL  10          3HG2      VAL  10  -6.417 -15.529   8.696
  101    H    ARG  11           H        ARG  11  -8.560 -12.677   4.501
  102    HA   ARG  11           HA       ARG  11 -11.224 -13.992   3.980
  103   1HB   ARG  11          1HB       ARG  11 -10.311 -11.102   3.380
  104   2HB   ARG  11          2HB       ARG  11 -11.900 -11.744   3.094
  105   1HG   ARG  11          1HG       ARG  11 -12.464 -10.881   5.068
  106   2HG   ARG  11          2HG       ARG  11 -11.829 -12.366   5.752
  107   1HD   ARG  11          1HD       ARG  11  -9.615 -11.196   6.247
  108   2HD   ARG  11          2HD       ARG  11 -10.197  -9.747   5.408
  109    HE   ARG  11           HE       ARG  11 -12.051 -10.653   7.594
  110   1HH1  ARG  11          2HH2      ARG  11  -9.256  -8.695   6.965
  111   2HH1  ARG  11          1HH2      ARG  11  -9.621  -7.590   8.383
  112   1HH2  ARG  11          2HH1      ARG  11 -12.429  -9.394   9.194
  113   2HH2  ARG  11          1HH1      ARG  11 -11.324  -8.007   9.590
  114   1HN   NH2  12          1HN       NH2  12 -10.651 -14.785   0.522
  115   2HN   NH2  12          2HN       NH2  12 -11.296 -15.321   2.155
  116   1H2   DAO  13          1H2       DAO  13  -1.727   0.009   0.702
  117   2H2   DAO  13          2H2       DAO  13  -0.978   0.604   2.155
  118   1H3   DAO  13          1H3       DAO  13  -3.230   2.078   0.664
  119   2H3   DAO  13          2H3       DAO  13  -3.470   0.959   2.007
  120   1H4   DAO  13          1H4       DAO  13  -1.998   2.395   3.481
  121   2H4   DAO  13          2H4       DAO  13  -1.823   3.574   2.178
  122   1H5   DAO  13          1H5       DAO  13  -4.492   2.783   3.534
  123   2H5   DAO  13          2H5       DAO  13  -4.366   3.854   2.149
  124   1H6   DAO  13          1H6       DAO  13  -2.987   5.498   3.499
  125   2H6   DAO  13          2H6       DAO  13  -4.621   5.242   4.051
  126   1H7   DAO  13          1H7       DAO  13  -3.667   5.154   6.103
  127   2H7   DAO  13          2H7       DAO  13  -3.511   3.443   5.744
  128   1H8   DAO  13          1H8       DAO  13  -1.105   4.017   4.853
  129   2H8   DAO  13          2H8       DAO  13  -1.336   5.635   5.476
  130   1H9   DAO  13          1H9       DAO  13  -0.009   4.095   6.945
  131   2H9   DAO  13          2H9       DAO  13  -1.375   3.035   7.168
  132   1H10  DAO  13          1H10      DAO  13  -0.670   4.884   8.980
  133   2H10  DAO  13          2H10      DAO  13  -1.553   6.018   7.976
  134   1H11  DAO  13          1H11      DAO  13  -3.658   4.576   8.269
  135   2H11  DAO  13          2H11      DAO  13  -2.728   3.431   9.228
  136   1H12  DAO  13          1H12      DAO  13  -2.272   5.236  10.963
  137   2H12  DAO  13          2H12      DAO  13  -3.196   6.406   9.985
  138   3H12  DAO  13          3H12      DAO  13  -4.016   5.002  10.707
  Start of MODEL   19
    1   1H    PHE   1          1H        PHE   1   2.997  -1.728   1.986
    2    HA   PHE   1           HA       PHE   1   3.507  -1.079  -0.630
    3   1HB   PHE   1          1HB       PHE   1   5.244  -3.147   0.767
    4   2HB   PHE   1          2HB       PHE   1   5.696  -1.857  -0.294
    5    HD1  PHE   1           HD1      PHE   1   5.782  -2.898   3.033
    6    HD2  PHE   1           HD2      PHE   1   4.962   0.670   0.769
    7    HE1  PHE   1           HE1      PHE   1   6.180  -1.542   5.025
    8    HE2  PHE   1           HE2      PHE   1   5.354   2.022   2.777
    9    HZ   PHE   1           HZ       PHE   1   5.973   0.931   4.918
   10    H    GLN   2           H        GLN   2   3.354  -4.384   0.584
   11    HA   GLN   2           HA       GLN   2   2.810  -5.599  -2.114
   12   1HB   GLN   2          1HB       GLN   2   2.607  -7.740  -0.980
   13   2HB   GLN   2          2HB       GLN   2   4.061  -6.886  -0.557
   14   1HG   GLN   2          1HG       GLN   2   3.602  -7.643   1.525
   15   2HG   GLN   2          2HG       GLN   2   2.688  -6.171   1.674
   16   1HE2  GLN   2          1HE2      GLN   2   2.501  -9.291   2.460
   17   2HE2  GLN   2          2HE2      GLN   2   0.661  -9.421   2.443
   18    H    TRP   3           H        TRP   3   0.676  -3.937  -0.070
   19    HA   TRP   3           HA       TRP   3  -1.669  -5.088  -1.633
   20   1HB   TRP   3          1HB       TRP   3  -3.123  -5.210   0.200
   21   2HB   TRP   3          2HB       TRP   3  -1.698  -6.019   0.707
   22    HD1  TRP   3           HD1      TRP   3  -4.070  -3.231   1.593
   23    HE1  TRP   3           HE1      TRP   3  -3.470  -1.932   3.818
   24    HE3  TRP   3           HE3      TRP   3   0.618  -5.114   2.089
   25    HZ2  TRP   3           HZ2      TRP   3  -1.209  -2.006   5.553
   26    HZ3  TRP   3           HZ3      TRP   3   1.975  -4.479   4.064
   27    HH2  TRP   3           HH2      TRP   3   1.074  -2.946   5.770
   28    H    GLN   4           H        GLN   4  -3.517  -3.725  -1.667
   29    HA   GLN   4           HA       GLN   4  -3.055  -0.740  -1.183
   30   1HB   GLN   4          1HB       GLN   4  -3.794   0.049  -3.231
   31   2HB   GLN   4          2HB       GLN   4  -2.527  -1.091  -3.514
   32   1HG   GLN   4          1HG       GLN   4  -3.783  -2.264  -4.980
   33   2HG   GLN   4          2HG       GLN   4  -4.966  -2.675  -3.789
   34   1HE2  GLN   4          1HE2      GLN   4  -6.269  -0.405  -3.256
   35   2HE2  GLN   4          2HE2      GLN   4  -6.945   0.329  -4.801
   36    H    ARG   5           H        ARG   5  -5.783  -2.937  -1.944
   37    HA   ARG   5           HA       ARG   5  -7.222  -1.690   0.461
   38   1HB   ARG   5          1HB       ARG   5  -8.004  -0.478  -1.501
   39   2HB   ARG   5          2HB       ARG   5  -8.448  -1.952  -2.339
   40   1HG   ARG   5          1HG       ARG   5 -10.420  -2.194  -1.240
   41   2HG   ARG   5          2HG       ARG   5  -9.784  -1.841   0.334
   42   1HD   ARG   5          1HD       ARG   5 -10.270   0.446  -1.693
   43   2HD   ARG   5          2HD       ARG   5 -11.589  -0.180  -0.748
   44    HE   ARG   5           HE       ARG   5  -9.164   1.325   0.330
   45   1HH1  ARG   5          2HH2      ARG   5 -11.985  -0.499   1.215
   46   2HH1  ARG   5          1HH2      ARG   5 -11.986   0.169   2.918
   47   1HH2  ARG   5          2HH1      ARG   5  -9.225   2.118   2.251
   48   2HH2  ARG   5          1HH1      ARG   5 -10.476   1.573   3.455
   49    H    ASN   6           H        ASN   6  -5.984  -3.792   0.868
   50    HA   ASN   6           HA       ASN   6  -7.954  -5.516   2.129
   51   1HB   ASN   6          1HB       ASN   6  -8.146  -6.559  -0.176
   52   2HB   ASN   6          2HB       ASN   6  -6.457  -6.984  -0.157
   53   1HD2  ASN   6          1HD2      ASN   6  -5.847  -8.675   1.367
   54   2HD2  ASN   6          2HD2      ASN   6  -7.128  -9.812   2.006
   55    H    ILE   7           H        ILE   7  -6.629  -5.147   4.103
   56    HA   ILE   7           HA       ILE   7  -3.856  -5.693   4.192
   57    HB   ILE   7           HB       ILE   7  -5.704  -4.248   5.523
   58   1HG1  ILE   7          1HG1      ILE   7  -3.400  -3.935   5.688
   59   2HG1  ILE   7          2HG1      ILE   7  -4.370  -3.583   7.078
   60   1HG2  ILE   7          1HG2      ILE   7  -7.021  -6.159   6.506
   61   2HG2  ILE   7          2HG2      ILE   7  -5.631  -6.483   7.579
   62   3HG2  ILE   7          3HG2      ILE   7  -6.461  -4.925   7.653
   63   1HD1  ILE   7          1HD1      ILE   7  -3.445  -5.719   8.234
   64   2HD1  ILE   7          2HD1      ILE   7  -2.369  -5.946   6.813
   65   3HD1  ILE   7          3HD1      ILE   7  -2.207  -4.516   7.834
   66    H    ARG   8           H        ARG   8  -3.550  -7.302   6.486
   67    HA   ARG   8           HA       ARG   8  -3.230  -9.529   7.205
   68   1HB   ARG   8          1HB       ARG   8  -5.546 -10.612   5.559
   69   2HB   ARG   8          2HB       ARG   8  -4.949 -11.132   7.118
   70   1HG   ARG   8          1HG       ARG   8  -5.847  -8.624   7.857
   71   2HG   ARG   8          2HG       ARG   8  -6.766  -8.792   6.392
   72   1HD   ARG   8          1HD       ARG   8  -8.262  -9.564   8.013
   73   2HD   ARG   8          2HD       ARG   8  -7.655 -11.094   7.358
   74    HE   ARG   8           HE       ARG   8  -5.816 -10.633   9.432
   75   1HH1  ARG   8          2HH2      ARG   8  -9.295 -10.517   9.507
   76   2HH1  ARG   8          1HH2      ARG   8  -9.341 -10.839  11.308
   77   1HH2  ARG   8          2HH1      ARG   8  -5.912 -11.020  11.473
   78   2HH2  ARG   8          1HH1      ARG   8  -7.505 -11.115  12.344
   79    H    LYS   9           H        LYS   9  -3.356 -12.047   6.014
   80    HA   LYS   9           HA       LYS   9  -1.480 -11.880   3.579
   81   1HB   LYS   9          1HB       LYS   9  -0.634 -13.173   5.519
   82   2HB   LYS   9          2HB       LYS   9  -2.059 -14.208   5.502
   83   1HG   LYS   9          1HG       LYS   9  -1.463 -15.112   3.273
   84   2HG   LYS   9          2HG       LYS   9  -0.124 -13.973   3.105
   85   1HD   LYS   9          1HD       LYS   9   1.106 -15.028   5.016
   86   2HD   LYS   9          2HD       LYS   9  -0.287 -16.005   5.424
   87   1HE   LYS   9          1HE       LYS   9   1.255 -17.490   4.343
   88   2HE   LYS   9          2HE       LYS   9  -0.115 -17.290   3.261
   89   1HZ   LYS   9          1HZ       LYS   9   2.044 -17.061   2.032
   90   2HZ   LYS   9          2HZ       LYS   9   1.240 -15.629   1.967
   91   3HZ   LYS   9          3HZ       LYS   9   2.511 -15.804   2.986
   92    H    VAL  10           H        VAL  10  -3.228 -11.061   2.405
   93    HA   VAL  10           HA       VAL  10  -4.874 -11.166   0.838
   94    HB   VAL  10           HB       VAL  10  -2.921 -12.554  -0.029
   95   1HG1  VAL  10          1HG1      VAL  10  -4.861 -14.950  -0.024
   96   2HG1  VAL  10          2HG1      VAL  10  -3.270 -14.848  -0.801
   97   3HG1  VAL  10          3HG1      VAL  10  -3.394 -14.801   0.962
   98   1HG2  VAL  10          1HG2      VAL  10  -3.905 -12.866  -2.211
   99   2HG2  VAL  10          2HG2      VAL  10  -5.559 -12.776  -1.556
  100   3HG2  VAL  10          3HG2      VAL  10  -4.483 -11.359  -1.485
  101    H    ARG  11           H        ARG  11  -6.366 -13.655   0.013
  102    HA   ARG  11           HA       ARG  11  -8.217 -14.159   2.260
  103   1HB   ARG  11          1HB       ARG  11  -8.987 -11.821   1.520
  104   2HB   ARG  11          2HB       ARG  11  -9.422 -12.487  -0.030
  105   1HG   ARG  11          1HG       ARG  11 -11.461 -12.360   1.158
  106   2HG   ARG  11          2HG       ARG  11 -11.080 -14.075   1.190
  107   1HD   ARG  11          1HD       ARG  11 -10.173 -13.805   3.577
  108   2HD   ARG  11          2HD       ARG  11 -10.532 -12.066   3.492
  109    HE   ARG  11           HE       ARG  11 -12.945 -13.682   2.822
  110   1HH1  ARG  11          2HH2      ARG  11 -11.093 -12.620   5.555
  111   2HH1  ARG  11          1HH2      ARG  11 -12.537 -12.734   6.680
  112   1HH2  ARG  11          2HH1      ARG  11 -14.562 -13.807   4.115
  113   2HH2  ARG  11          1HH1      ARG  11 -14.401 -13.381   5.876
  114   1HN   NH2  12          1HN       NH2  12  -8.909 -16.135  -1.280
  115   2HN   NH2  12          2HN       NH2  12  -8.628 -14.318  -1.400
  116   1H2   DAO  13          1H2       DAO  13  -0.529  -1.331   1.427
  117   2H2   DAO  13          2H2       DAO  13   0.585  -1.251   2.764
  118   1H3   DAO  13          1H3       DAO  13  -0.495   1.272   1.371
  119   2H3   DAO  13          2H3       DAO  13  -1.385   0.468   2.656
  120   1H4   DAO  13          1H4       DAO  13   0.208   0.896   4.324
  121   2H4   DAO  13          2H4       DAO  13   1.547   1.169   3.237
  122   1H5   DAO  13          1H5       DAO  13   0.431   3.275   4.416
  123   2H5   DAO  13          2H5       DAO  13  -0.849   3.116   3.221
  124   1H6   DAO  13          1H6       DAO  13   2.171   3.586   2.742
  125   2H6   DAO  13          2H6       DAO  13   1.119   3.101   1.419
  126   1H7   DAO  13          1H7       DAO  13  -0.285   5.125   1.671
  127   2H7   DAO  13          2H7       DAO  13   0.612   5.643   3.101
  128   1H8   DAO  13          1H8       DAO  13   2.680   5.998   1.810
  129   2H8   DAO  13          2H8       DAO  13   2.038   5.156   0.412
  130   1H9   DAO  13          1H9       DAO  13   0.350   6.957   0.012
  131   2H9   DAO  13          2H9       DAO  13   2.022   7.477  -0.117
  132   1H10  DAO  13          1H10      DAO  13   0.177   8.010   2.300
  133   2H10  DAO  13          2H10      DAO  13   1.886   8.450   2.251
  134   1H11  DAO  13          1H11      DAO  13   1.472   9.912   0.226
  135   2H11  DAO  13          2H11      DAO  13  -0.230   9.450   0.220
  136   1H12  DAO  13          1H12      DAO  13   0.090  11.684   1.326
  137   2H12  DAO  13          2H12      DAO  13  -0.546  10.513   2.505
  138   3H12  DAO  13          3H12      DAO  13   1.180  10.965   2.534
  Start of MODEL   20
    1   1H    PHE   1          1H        PHE   1   1.083   1.248   1.394
    2    HA   PHE   1           HA       PHE   1   1.298   2.275  -1.080
    3   1HB   PHE   1          1HB       PHE   1   3.789   1.325   0.410
    4   2HB   PHE   1          2HB       PHE   1   3.585   2.725  -0.595
    5    HD1  PHE   1           HD1      PHE   1   1.684   4.500   0.332
    6    HD2  PHE   1           HD2      PHE   1   3.708   1.580   2.758
    7    HE1  PHE   1           HE1      PHE   1   0.989   5.689   2.356
    8    HE2  PHE   1           HE2      PHE   1   3.021   2.772   4.772
    9    HZ   PHE   1           HZ       PHE   1   1.654   4.845   4.596
   10    H    GLN   2           H        GLN   2   2.924  -0.724  -0.161
   11    HA   GLN   2           HA       GLN   2   3.593  -1.502  -2.989
   12   1HB   GLN   2          1HB       GLN   2   3.684  -3.236  -0.434
   13   2HB   GLN   2          2HB       GLN   2   4.318  -3.703  -2.000
   14   1HG   GLN   2          1HG       GLN   2   5.933  -1.760  -1.945
   15   2HG   GLN   2          2HG       GLN   2   5.331  -1.316  -0.346
   16   1HE2  GLN   2          1HE2      GLN   2   7.784  -1.572  -0.111
   17   2HE2  GLN   2          2HE2      GLN   2   8.303  -3.245   0.467
   18    H    TRP   3           H        TRP   3   1.027  -2.457  -0.803
   19    HA   TRP   3           HA       TRP   3  -0.190  -4.352  -2.864
   20   1HB   TRP   3          1HB       TRP   3  -1.401  -5.396  -1.166
   21   2HB   TRP   3          2HB       TRP   3   0.165  -5.192  -0.500
   22    HD1  TRP   3           HD1      TRP   3  -3.434  -4.697   0.196
   23    HE1  TRP   3           HE1      TRP   3  -3.983  -3.422   2.456
   24    HE3  TRP   3           HE3      TRP   3   1.273  -2.921   1.033
   25    HZ2  TRP   3           HZ2      TRP   3  -2.414  -1.862   4.231
   26    HZ3  TRP   3           HZ3      TRP   3   1.704  -1.574   3.057
   27    HH2  TRP   3           HH2      TRP   3  -0.111  -1.048   4.631
   28    H    GLN   4           H        GLN   4  -2.710  -4.278  -2.759
   29    HA   GLN   4           HA       GLN   4  -3.757  -1.591  -3.491
   30   1HB   GLN   4          1HB       GLN   4  -4.918  -4.427  -3.191
   31   2HB   GLN   4          2HB       GLN   4  -6.029  -3.096  -3.289
   32   1HG   GLN   4          1HG       GLN   4  -3.841  -3.461  -5.405
   33   2HG   GLN   4          2HG       GLN   4  -5.388  -4.263  -5.485
   34   1HE2  GLN   4          1HE2      GLN   4  -7.318  -2.576  -5.163
   35   2HE2  GLN   4          2HE2      GLN   4  -7.040  -0.932  -5.934
   36    H    ARG   5           H        ARG   5  -6.013  -2.998  -1.369
   37    HA   ARG   5           HA       ARG   5  -5.225  -1.161   0.948
   38   1HB   ARG   5          1HB       ARG   5  -6.995   0.293   0.787
   39   2HB   ARG   5          2HB       ARG   5  -6.460   0.140  -0.839
   40   1HG   ARG   5          1HG       ARG   5  -8.520  -0.468  -1.571
   41   2HG   ARG   5          2HG       ARG   5  -8.602  -1.848  -0.513
   42   1HD   ARG   5          1HD       ARG   5  -9.419   1.050   0.235
   43   2HD   ARG   5          2HD       ARG   5 -10.527  -0.282  -0.167
   44    HE   ARG   5           HE       ARG   5  -8.695  -1.105   2.011
   45   1HH1  ARG   5          2HH2      ARG   5 -11.496   0.923   1.551
   46   2HH1  ARG   5          1HH2      ARG   5 -11.970   0.794   3.315
   47   1HH2  ARG   5          2HH1      ARG   5  -9.265  -1.251   3.952
   48   2HH2  ARG   5          1HH1      ARG   5 -10.738  -0.401   4.619
   49    H    ASN   6           H        ASN   6  -5.819  -4.137   0.653
   50    HA   ASN   6           HA       ASN   6  -7.323  -4.430   3.314
   51   1HB   ASN   6          1HB       ASN   6  -8.927  -4.583   1.309
   52   2HB   ASN   6          2HB       ASN   6  -8.024  -5.977   0.729
   53   1HD2  ASN   6          1HD2      ASN   6 -10.293  -6.765   0.883
   54   2HD2  ASN   6          2HD2      ASN   6 -10.861  -7.388   2.511
   55    H    ILE   7           H        ILE   7  -5.513  -5.136   4.402
   56    HA   ILE   7           HA       ILE   7  -3.456  -6.641   3.051
   57    HB   ILE   7           HB       ILE   7  -2.960  -6.721   5.983
   58   1HG1  ILE   7          1HG1      ILE   7  -3.341  -3.926   4.822
   59   2HG1  ILE   7          2HG1      ILE   7  -4.318  -4.672   6.069
   60   1HG2  ILE   7          1HG2      ILE   7  -0.760  -5.869   5.262
   61   2HG2  ILE   7          2HG2      ILE   7  -1.269  -7.174   4.181
   62   3HG2  ILE   7          3HG2      ILE   7  -1.390  -5.483   3.645
   63   1HD1  ILE   7          1HD1      ILE   7  -2.747  -3.177   7.180
   64   2HD1  ILE   7          2HD1      ILE   7  -2.266  -4.841   7.592
   65   3HD1  ILE   7          3HD1      ILE   7  -1.349  -3.915   6.374
   66    H    ARG   8           H        ARG   8  -4.914  -7.865   6.064
   67    HA   ARG   8           HA       ARG   8  -5.089 -10.240   6.718
   68   1HB   ARG   8          1HB       ARG   8  -7.311 -10.877   5.925
   69   2HB   ARG   8          2HB       ARG   8  -7.109  -9.351   6.730
   70   1HG   ARG   8          1HG       ARG   8  -8.747  -9.104   4.960
   71   2HG   ARG   8          2HG       ARG   8  -7.377  -8.061   4.680
   72   1HD   ARG   8          1HD       ARG   8  -8.135  -8.998   2.548
   73   2HD   ARG   8          2HD       ARG   8  -6.507  -9.528   2.890
   74    HE   ARG   8           HE       ARG   8  -7.290 -11.713   3.699
   75   1HH1  ARG   8          2HH2      ARG   8  -9.536  -9.945   1.682
   76   2HH1  ARG   8          1HH2      ARG   8 -10.415 -11.459   1.147
   77   1HH2  ARG   8          2HH1      ARG   8  -8.373 -13.405   3.130
   78   2HH2  ARG   8          1HH1      ARG   8  -9.760 -13.347   1.922
   79    H    LYS   9           H        LYS   9  -3.287 -11.451   6.269
   80    HA   LYS   9           HA       LYS   9  -2.715 -12.680   3.730
   81   1HB   LYS   9          1HB       LYS   9  -1.164 -12.381   5.749
   82   2HB   LYS   9          2HB       LYS   9  -1.913 -13.768   6.492
   83   1HG   LYS   9          1HG       LYS   9  -1.083 -14.598   3.776
   84   2HG   LYS   9          2HG       LYS   9   0.161 -13.550   4.377
   85   1HD   LYS   9          1HD       LYS   9   0.969 -15.575   5.072
   86   2HD   LYS   9          2HD       LYS   9   0.225 -15.063   6.558
   87   1HE   LYS   9          1HE       LYS   9  -1.086 -16.981   4.467
   88   2HE   LYS   9          2HE       LYS   9  -0.096 -17.538   5.806
   89   1HZ   LYS   9          1HZ       LYS   9  -2.726 -16.065   6.077
   90   2HZ   LYS   9          2HZ       LYS   9  -2.434 -17.625   6.509
   91   3HZ   LYS   9          3HZ       LYS   9  -1.749 -16.398   7.364
   92    H    VAL  10           H        VAL  10  -4.323 -13.542   2.774
   93    HA   VAL  10           HA       VAL  10  -6.047 -14.766   2.130
   94    HB   VAL  10           HB       VAL  10  -4.131 -16.368   1.835
   95   1HG1  VAL  10          1HG1      VAL  10  -4.079 -18.544   2.865
   96   2HG1  VAL  10          2HG1      VAL  10  -3.909 -17.335   4.146
   97   3HG1  VAL  10          3HG1      VAL  10  -5.450 -18.196   3.928
   98   1HG2  VAL  10          1HG2      VAL  10  -6.188 -16.455   0.545
   99   2HG2  VAL  10          2HG2      VAL  10  -5.545 -18.079   0.844
  100   3HG2  VAL  10          3HG2      VAL  10  -6.964 -17.496   1.770
  101    H    ARG  11           H        ARG  11  -6.933 -17.194   4.040
  102    HA   ARG  11           HA       ARG  11  -7.891 -15.769   6.385
  103   1HB   ARG  11          1HB       ARG  11  -9.729 -15.320   4.272
  104   2HB   ARG  11          2HB       ARG  11 -10.413 -16.736   4.990
  105   1HG   ARG  11          1HG       ARG  11 -11.508 -15.004   6.146
  106   2HG   ARG  11          2HG       ARG  11 -10.281 -15.463   7.309
  107   1HD   ARG  11          1HD       ARG  11  -8.804 -13.497   6.356
  108   2HD   ARG  11          2HD       ARG  11 -10.156 -13.054   5.348
  109    HE   ARG  11           HE       ARG  11 -11.599 -12.656   7.408
  110   1HH1  ARG  11          2HH2      ARG  11  -8.167 -12.786   8.004
  111   2HH1  ARG  11          1HH2      ARG  11  -8.322 -11.695   9.464
  112   1HH2  ARG  11          2HH1      ARG  11 -11.720 -11.429   9.062
  113   2HH2  ARG  11          1HH1      ARG  11 -10.239 -10.978  10.014
  114   1HN   NH2  12          1HN       NH2  12  -8.424 -19.072   7.706
  115   2HN   NH2  12          2HN       NH2  12  -8.335 -17.276   8.090
  116   1H2   DAO  13          1H2       DAO  13  -1.784  -0.399   1.025
  117   2H2   DAO  13          2H2       DAO  13  -1.263   0.772   2.216
  118   1H3   DAO  13          1H3       DAO  13  -3.539   1.248   0.197
  119   2H3   DAO  13          2H3       DAO  13  -3.795   0.484   1.765
  120   1H4   DAO  13          1H4       DAO  13  -3.108   2.470   2.986
  121   2H4   DAO  13          2H4       DAO  13  -2.529   3.290   1.533
  122   1H5   DAO  13          1H5       DAO  13  -5.490   2.426   1.823
  123   2H5   DAO  13          2H5       DAO  13  -4.778   3.387   0.545
  124   1H6   DAO  13          1H6       DAO  13  -4.219   5.206   2.336
  125   2H6   DAO  13          2H6       DAO  13  -5.879   4.970   1.827
  126   1H7   DAO  13          1H7       DAO  13  -6.052   3.311   3.936
  127   2H7   DAO  13          2H7       DAO  13  -4.604   4.139   4.493
  128   1H8   DAO  13          1H8       DAO  13  -5.863   6.375   4.337
  129   2H8   DAO  13          2H8       DAO  13  -7.255   5.521   3.693
  130   1H9   DAO  13          1H9       DAO  13  -7.271   4.093   5.887
  131   2H9   DAO  13          2H9       DAO  13  -7.878   5.736   5.930
  132   1H10  DAO  13          1H10      DAO  13  -4.959   5.123   6.725
  133   2H10  DAO  13          2H10      DAO  13  -5.845   6.622   6.933
  134   1H11  DAO  13          1H11      DAO  13  -5.903   5.666   9.096
  135   2H11  DAO  13          2H11      DAO  13  -7.507   5.309   8.478
  136   1H12  DAO  13          1H12      DAO  13  -6.510   3.295   9.621
  137   2H12  DAO  13          2H12      DAO  13  -6.716   2.926   7.893
  138   3H12  DAO  13          3H12      DAO  13  -5.104   3.333   8.533