*HEADER    NEUROPEPTIDE                            19-AUG-13   2MCE              
*TITLE     MEMBRANE INDUCED STRUCTURE OF THE MAMMALIAN TACHYKININ NEUROPEPTIDE   
*TITLE    2 GAMMA                                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NEUROPEPTIDE GAMMA;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: NPGAMMA, PROTACHYKININ-1;                                   
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CUSTOM SYNTHESIS OF PEPTIDE WITH >99% PURITY          
*KEYWDS    TACHYKININ, NK-2 SELECTIVE AGONISTS, NEUROPEPTIDE GAMMA, BIOACTIVE    
*KEYWDS   2 PEPTIDE, PEPTIDE MEMBRANE INTERACTION, NEUROPEPTIDE                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    I.R.CHANDRASHEKAR, A.GANJIWALE, S.M.COWSIK                            
*REVDAT   1   25-SEP-13 2MCE    0                                                


 1 ASP   HA      1 ASP  QB      3.00
 2 ALA 
         HN      2 ALA  HA      3.00 
         HN  3 GLY  HN 3.00
         HN  4 HIS  HN 4.20
         HN      1 ASP  HA      3.50
         HN      1 ASP  QB      4.00
         HN      2 ALA  QB      3.50
         HA      2 ALA  QB      3.20 
 3 GLY 
  HN  4 HIS  HN 3.00
         HN      2 ALA  HA      3.50 
         HN      2 ALA  QB      4.00
         HN      1 ASP  HA      4.00
         HN      1 ASP  QB      4.50
         HN  3 GLY  HA1 3.00
  4 HIS 
         HN  4 HIS HA 3.00
         HN      2 ALA  HA      4.00 
         HN      2 ALA  QB      4.80
         HN      4 HIS  HB2     3.50
         HN      4 HIS  HB3     3.80
         HN  3 GLY  HA1 3.50 
         HA      4 HIS  HB2     3.50
         HA      4 HIS  HB3     3.80
  5 GLY 
  HN  4 HIS  HN 3.00
  HN  5 GLY  HA1 3.00
         HN  3 GLY  HA1 4.00
         HN  4 HIS HA 3.50
         HN  4 HIS  HB2 4.50
         HN  4 HIS  HB3 4.80
  6 GLN
  HN  5 GLY  HN 3.00
         HN  4 HIS  HN 4.20
  HN  6 GLN  HA 3.00
  HN  5 GLY  HA1 3.50
         HN      4 HIS  HA 4.00
         HN  3 GLY  HA1 4.50
         HN      6 GLN  HB2     3.50
    HN      6 GLN  HB3     4.00
         HN      6 GLN  QG      4.50
         HN      6 GLN  QE2     5.00
  HA      6 GLN  HB2     3.50
         HA      6 GLN  HB3     3.50
  7 ILE
  HN  6 GLN  HN 3.00
         HN  5 GLY  HN 4.20
  HN  7 ILE  HA 3.00
         HN      7 ILE  HB      3.50
         HN      7 ILE  HG21    4.50
  HN      7 ILE  QG2     4.80
         HN  5 GLY  HA1 4.00
         HN      6 GLN  HA      3.50
    HN      4 HIS  HA      4.50
         HN      6 GLN  HB2     4.00
         HA      7 ILE  HB      3.50
   8 SER
  HN  9 HIS  HN 3.00
         HN  7 ILE  HN 3.00
         HN  6 GLN  HN 4.20
         HN  8 SER  HA 3.00
         HN  7 ILE  HA 3.50
         HN      8 SER  QB      3.50
         HN      7 ILE  HB      4.50
         HN  6 GLN  HA 4.20
         HA      8 SER  QB      3.50
         HN      7 ILE  HG21    4.80
  HN      7 ILE  QG2     5.00
   9 HIS 
         HN 10 LYS  HN 3.00
         HN  7 ILE  HN 4.20
         HN  9 HIS  HA 3.00
         HN      9 HIS  HB2     3.50
         HN      9 HIS  HB3     3.80
         HN  8 SER  HA 3.50
         HA      9 HIS  HB2     3.50
         HA      9 HIS  HB3     3.80
         HN      8 SER  QB      4.20
  10 LYS 
         HN 11 ARG  HN 3.00
         HN 12 HIS  HN 4.20
         HN 10 LYS  HA 3.00
         HN  9 HIS  HA 3.50
         HN  8 SER  HA 4.00
         HN     10 LYS  QB      3.50
         HN      9 HIS  HB2     4.50
         HN      9 HIS  HB3     4.80
         HN     10 LYS  QD      4.50
         HN     10 LYS  QG      5.00
         HA     10 LYS  QB      3.50
  11 ARG 
         HN 12 HIS  HN 3.00
         HN 11 ARG  HA 3.00
         HN  9 HIS  HN 4.20
         HN  9 HIS  HA 4.00
         HN     11 ARG  QB      3.50
         HN     10 LYS  QB      4.50
         HN     10 LYS  HA      3.50
         HN     10 LYS  QG      5.00
         HN     11 ARG  QG      4.00
         HN     11 ARG  QD      4.50
         HN     11 ARG  QH2     5.00
         HA     11 ARG  QB      3.50
  12 HIS 
         HN 13 LYS  HN 3.00
         HN 12 HIS  HA 3.00
         HN 14 THR  HN 4.20
         HN 11 ARG  HA 3.50
         HN     12 HIS  HB2     3.50
         HN     12 HIS  HB3     3.80
         HN     10 LYS  HA      4.00
         HN     11 ARG  QB      4.20
         HN     12 HIS  HE1 5.00
         HA     12 HIS  HB2     3.50
         HA     12 HIS  HB3     4.00
         HN  9 HIS  HA 4.50
  13 LYS 
         HN 14 THR  HN 3.00
         HN 13 LYS  HA 3.00
         HN     13 LYS  QB      3.50
         HN     13 LYS  QD      4.50
         HN     12 HIS  HA      3.50
         HN 11 ARG  HA 4.00
         HN     10 LYS  HA      4.50
         HN     12 HIS  HB2     4.20
         HN     12 HIS  HB3     4.50
         HN     13 LYS  QG      4.00
         HN     13 LYS  QE      5.00
         HA     13 LYS  QB      3.50
  14 THR   
  HN 15 ASP HN 3.00
         HN 14 THR  HA 3.00
         HN     13 LYS  HA      3.50 
         HN     13 LYS  QB      4.50 
         HN     14 THR  HG23    4.50 
         HN     12 HIS  HA      4.00
         HN 11 ARG  HA 4.50
         HN     14 THR  HB      3.50
  HA     14 THR  HB      3.50
         HA     14 THR  HG23    4.50 
         HA     17 PHE  QB      4.50
  15 ASP
  HN 15 ASP  HA 3.00
         HN 13 LYS  HN 4.20
  HN 16 SER HN 3.00
         HN 17 PHE  HN 4.20
         HN     14 THR  HA      3.50
         HN     14 THR  HB      4.20
         HN     14 THR  HG23    5.00 
         HN     12 HIS  HA      4.80
         HN 13 LYS  HA 4.00
         HN 15 ASP  QB 3.50 
         HA 15 ASP  QB 3.50
         HA     18 VAL  HB      5.00
  16 SER
  HN 17 PHE  HN 3.00
         HN     18 VAL  HN      4.20
         HN 14 THR  HN 4.20
  HN     16 SER  HA 3.00
         HN 14 THR  HA 4.00
         HN 15 ASP  HA 3.50
         HN     16 SER  HB2     3.50
         HN     16 SER  HB3     3.50
         HN     15 ASP  QB      4.20
         HA 16 SER  HB2 3.50
         HA 16 SER  HB3 3.50
         HN     13 LYS  HA      4.50
         HN     12 HIS  HA      5.00
         HA 15 ASP  QB 4.20 
  17 PHE
  HN 18 VAL  HN 3.00
  HN 19 GLY  HN 4.20
         HN     17 PHE  HA 3.00
         HN 15 ASP  HA 4.00
         HN 15 ASP  QB 5.00
         HN 16 SER  HA 3.50
         HN     16 SER  HB2     4.20
  HN     16 SER  HB3     4.20
         HN     17 PHE  QB      3.50
  HA     17 PHE  QB      3.50
         HA 20 LEU  QB 5.00
         HN 17 PHE  QR 5.00
  18 VAL
  HN 19 GLY  HN 3.00
         HN 18 VAL  HA 3.00
  HN 16 SER  HA 4.00
  HN 17 PHE  HA 3.50
  HN 17 PHE QB 4.50
         HN 14 THR  HA 5.00
  HN     18 VAL  HB      3.50
         HN 15 ASP  HA 4.50
         HN     18 VAL  HG23    5.00
  HA     18 VAL  HB      3.50
  HA     21 MET  QB      5.00
  19 GLY 
  HN 20 LEU  HN 3.00
         HN     21 MET  HN 4.20
  HN     19 GLY  HA1 3.00
  HN 18 VAL  HA 3.50
         HN     18 VAL  HB      4.00
         HN 17 PHE  HA 4.00
  20 LEU
  HN 20 LEU  HA 3.00
         HN 18 VAL  HN 4.20
         HN 21 MET  HN 3.00
  HN     19 GLY  HA1 3.50
  HN 18 VAL  HA 4.00
  HN 17 PHE  HA 4.50
         HN     20 LEU  QB      3.50
         HN 20 LEU  QQD 4.50
         HA 20 LEU  QQD 4.20
         HA 20 LEU  QB 3.50
         HN 20 LEU  HG 5.00
         HA 20 LEU  HG 4.50
         HN     18 VAL  HB      4.80
  21 MET
  HN     21 MET HA 3.00 
         HN     21 MET  QG      4.50
  HN 21 MET  HG2 5.00
         HN     21 MET  QB      3.50
         HN     21 MET  HB2     4.00
         HN     20 LEU  QB      4.20
         HN     20 LEU  HA      3.50
         HN     19 GLY  HA1     4.00
         HN     18 VAL  HA      4.50
         HA     21 MET  QB      3.50
         HA     21 MET  HB2     4.00
         HA 20 LEU  QB 4.80
         HN 17 PHE  HA 5.00
         
    
 
  
  
  16 SER
         HN      12 HIS  O       1.80
         N       12 HIS  O       2.70
 
  18 VAL
         HN      14 THR  O       1.80
         N       14 THR  O       2.70
  
  21 MET
         HN      17 PHE  O       1.80
         N       17 PHE  O       2.70
    2 ALA   PHI    -90.0   -70.0
    3 GLY   PHI    -90.0   -70.0
    4 HIS   PHI    -85.0   -65.0
    5 GLY   PHI    -85.0   -65.0
    6 GLN   PHI    -75.0   -55.0
    7 ILE   PHI    -85.0   -65.0
    8 SER   PHI    -85.0   -65.0
    9 HIS   PHI    -85.0   -65.0
   10 LYS   PHI    -85.0   -65.0
   11 ARG   PHI    -85.0   -65.0
   12 HIS   PHI    -85.0   -65.0
   13 LYS   PHI    -75.0   -55.0
   14 THR   PHI    -75.0   -55.0
   15 ASP   PHI    -75.0   -55.0
   16 SER   PHI    -75.0   -55.0
   17 PHE   PHI    -75.0   -55.0
   18 VAL   PHI    -75.0   -55.0
   19 GLY   PHI    -85.0   -65.0
   20 LEU   PHI    -90.0   -70.0
   21 MET   PHI    -90.0   -70.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   1           H        ASP   1 -15.392   7.333   5.591
    2    HA   ASP   1           HA       ASP   1 -15.895   7.716   2.767
    3    HB2  ASP   1           1HB      ASP   1 -13.246   7.914   2.861
    4    HB3  ASP   1           2HB      ASP   1 -14.254   9.250   3.378
    5    HD2  ASP   1           HD2      ASP   1 -12.905  10.025   5.379
    6    H    ALA   2           H        ALA   2 -15.906   5.841   1.518
    7    HA   ALA   2           HA       ALA   2 -14.638   3.462   2.594
    8    HB1  ALA   2           3HB      ALA   2 -15.985   3.397  -0.051
    9    HB2  ALA   2           1HB      ALA   2 -16.175   2.325   1.357
   10    HB3  ALA   2           2HB      ALA   2 -17.014   3.894   1.314
   11    H    GLY   3           H        GLY   3 -14.440   5.740  -0.190
   12    HA2  GLY   3           1HA      GLY   3 -12.372   4.300  -1.528
   13    HA3  GLY   3           2HA      GLY   3 -12.914   5.936  -1.844
   14    H    HIS   4           H        HIS   4 -12.357   5.883   1.448
   15    HA   HIS   4           HA       HIS   4  -9.937   7.342   1.140
   16    HB2  HIS   4           1HB      HIS   4 -11.271   8.214   2.801
   17    HB3  HIS   4           2HB      HIS   4 -11.791   6.643   3.377
   18    HD1  HIS   4           HD1      HIS   4  -9.350   9.326   4.021
   19    HD2  HIS   4           HD2      HIS   4  -9.760   5.266   4.992
   20    HE1  HIS   4           HE1      HIS   4  -7.740   8.887   5.951
   21    H    GLY   5           H        GLY   5 -10.816   4.003   1.659
   22    HA2  GLY   5           1HA      GLY   5  -8.313   3.273   2.919
   23    HA3  GLY   5           2HA      GLY   5  -9.618   2.213   2.426
   24    H    GLN   6           H        GLN   6  -9.534   3.811  -0.316
   25    HA   GLN   6           HA       GLN   6  -7.920   1.889  -1.586
   26    HB2  GLN   6           1HB      GLN   6  -9.770   4.059  -2.363
   27    HB3  GLN   6           2HB      GLN   6  -8.444   3.860  -3.491
   28    HG2  GLN   6           1HG      GLN   6  -8.954   1.416  -3.663
   29    HG3  GLN   6           2HG      GLN   6 -10.274   1.609  -2.528
   30   HE21  GLN   6          2HE2      GLN   6 -12.025   3.050  -3.084
   31   HE22  GLN   6          1HE2      GLN   6 -12.496   3.259  -4.738
   32    H    ILE   7           H        ILE   7  -7.342   5.031  -0.187
   33    HA   ILE   7           HA       ILE   7  -5.035   5.574  -1.829
   34    HB   ILE   7           HB       ILE   7  -6.626   7.299  -0.920
   35   HG12  ILE   7          1HG1      ILE   7  -3.904   8.041   0.036
   36   HG13  ILE   7          2HG1      ILE   7  -4.034   7.486  -1.622
   37   HG21  ILE   7          1HG2      ILE   7  -5.407   7.819   1.565
   38   HG22  ILE   7          2HG2      ILE   7  -7.085   7.317   1.249
   39   HG23  ILE   7          3HG2      ILE   7  -5.835   6.091   1.571
   40   HD11  ILE   7          3HD1      ILE   7  -4.346  10.026  -1.180
   41   HD12  ILE   7          1HD1      ILE   7  -5.548   9.227  -2.222
   42   HD13  ILE   7          2HD1      ILE   7  -5.940   9.584  -0.523
   43    H    SER   8           H        SER   8  -5.838   3.741   1.011
   44    HA   SER   8           HA       SER   8  -3.261   3.964   2.179
   45    HB2  SER   8           1HB      SER   8  -5.702   3.246   3.145
   46    HB3  SER   8           2HB      SER   8  -5.044   1.649   2.845
   47    HG   SER   8           HG       SER   8  -3.043   2.802   4.033
   48    H    HIS   9           H        HIS   9  -4.729   2.139  -0.397
   49    HA   HIS   9           HA       HIS   9  -3.204  -0.205  -0.192
   50    HB2  HIS   9           1HB      HIS   9  -5.285   0.752  -1.776
   51    HB3  HIS   9           2HB      HIS   9  -3.962   0.563  -2.910
   52    HD1  HIS   9           HD1      HIS   9  -6.359  -1.288  -3.202
   53    HD2  HIS   9           HD2      HIS   9  -3.022  -2.224  -0.839
   54    HE1  HIS   9           HE1      HIS   9  -6.333  -3.829  -2.977
   55    H    LYS  10           H        LYS  10  -2.450   3.062  -1.148
   56    HA   LYS  10           HA       LYS  10  -0.329   2.429  -2.917
   57    HB2  LYS  10           1HB      LYS  10  -1.651   4.597  -2.776
   58    HB3  LYS  10           2HB      LYS  10  -0.718   4.986  -1.345
   59    HG2  LYS  10           1HG      LYS  10   0.665   5.964  -2.920
   60    HG3  LYS  10           2HG      LYS  10   1.350   4.351  -2.950
   61    HD2  LYS  10           1HD      LYS  10  -0.320   3.809  -4.840
   62    HD3  LYS  10           2HD      LYS  10  -0.686   5.522  -4.895
   63    HE2  LYS  10           1HE      LYS  10   2.225   4.954  -4.922
   64    HE3  LYS  10           2HE      LYS  10   1.377   4.261  -6.290
   65    HZ1  LYS  10           2HZ      LYS  10   2.177   6.739  -6.360
   66    HZ3  LYS  10           1HZ      LYS  10   0.787   7.048  -5.570
   67    H    ARG  11           H        ARG  11  -0.751   2.378   0.551
   68    HA   ARG  11           HA       ARG  11   2.044   2.663   1.046
   69    HB2  ARG  11           1HB      ARG  11  -0.430   2.199   2.726
   70    HB3  ARG  11           2HB      ARG  11   1.129   1.824   3.432
   71    HG2  ARG  11           1HG      ARG  11   1.409   4.022   3.901
   72    HG3  ARG  11           2HG      ARG  11   1.471   4.355   2.181
   73    HD2  ARG  11           1HD      ARG  11  -1.026   4.557   2.129
   74    HD3  ARG  11           2HD      ARG  11  -1.091   4.220   3.847
   75    HE   ARG  11           HE       ARG  11   0.615   6.336   3.824
   76   HH11  ARG  11          2HH2      ARG  11  -2.475   5.865   2.155
   77   HH12  ARG  11          1HH2      ARG  11  -2.867   7.552   2.142
   78   HH22  ARG  11          1HH       ARG  11  -1.340   9.119   3.120
   79    H    HIS  12           H        HIS  12   0.084   0.215  -0.176
   80    HA   HIS  12           HA       HIS  12   1.308  -1.952   1.272
   81    HB2  HIS  12           1HB      HIS  12  -0.727  -1.782  -0.953
   82    HB3  HIS  12           2HB      HIS  12  -0.041  -3.311  -0.443
   83    HD1  HIS  12           HD1      HIS  12  -1.037  -0.476   1.911
   84    HD2  HIS  12           HD2      HIS  12  -2.246  -4.352   0.857
   85    HE1  HIS  12           HE1      HIS  12  -2.852  -1.136   3.578
   86    H    LYS  13           H        LYS  13   2.106   0.106  -1.341
   87    HA   LYS  13           HA       LYS  13   3.459  -1.834  -2.936
   88    HB2  LYS  13           1HB      LYS  13   4.078  -0.018  -4.303
   89    HB3  LYS  13           2HB      LYS  13   2.464   0.355  -3.733
   90    HG2  LYS  13           1HG      LYS  13   3.791   1.585  -1.758
   91    HG3  LYS  13           2HG      LYS  13   5.097   1.600  -2.926
   92    HD2  LYS  13           1HD      LYS  13   2.289   2.650  -3.511
   93    HD3  LYS  13           2HD      LYS  13   3.614   3.665  -2.978
   94    HE2  LYS  13           1HE      LYS  13   4.511   2.027  -5.209
   95    HE3  LYS  13           2HE      LYS  13   3.016   2.826  -5.651
   96    HZ1  LYS  13           2HZ      LYS  13   5.579   3.982  -5.376
   97    HZ3  LYS  13           1HZ      LYS  13   4.570   4.727  -4.337
   98    H    THR  14           H        THR  14   4.139  -0.017  -0.018
   99    HA   THR  14           HA       THR  14   6.989  -0.147  -0.282
  100    HB   THR  14           HB       THR  14   6.857   0.698   2.087
  101    HG1  THR  14           HG1      THR  14   4.456   1.023   2.689
  102   HG21  THR  14          3HG2      THR  14   4.869   1.932   0.113
  103   HG22  THR  14          1HG2      THR  14   5.307   2.687   1.665
  104   HG23  THR  14          2HG2      THR  14   6.545   2.453   0.408
  105    H    ASP  15           H        ASP  15   4.452  -2.332   0.746
  106    HA   ASP  15           HA       ASP  15   6.114  -3.867   2.422
  107    HB2  ASP  15           1HB      ASP  15   3.429  -4.272   1.073
  108    HB3  ASP  15           2HB      ASP  15   4.206  -5.630   1.864
  109    HD2  ASP  15           HD2      ASP  15   3.582  -5.752   4.098
  110    H    SER  16           H        SER  16   5.398  -3.656  -1.047
  111    HA   SER  16           HA       SER  16   6.304  -6.258  -1.669
  112    HB2  SER  16           1HB      SER  16   4.781  -4.470  -2.994
  113    HB3  SER  16           2HB      SER  16   6.323  -4.053  -3.716
  114    HG   SER  16           HG       SER  16   5.457  -6.798  -3.562
  115    H    PHE  17           H        PHE  17   7.796  -3.165  -1.000
  116    HA   PHE  17           HA       PHE  17  10.161  -3.611  -2.518
  117    HB2  PHE  17           1HB      PHE  17   8.991  -1.706  -0.506
  118    HB3  PHE  17           2HB      PHE  17  10.740  -1.800  -0.464
  119    HD1  PHE  17           HD1      PHE  17  11.955  -1.516  -2.757
  120    HD2  PHE  17           HD2      PHE  17   7.960  -0.284  -2.025
  121    HE1  PHE  17           HE1      PHE  17  12.087   0.069  -4.699
  122    HE2  PHE  17           HE2      PHE  17   8.093   1.300  -3.967
  123    HZ   PHE  17           HZ       PHE  17  10.154   1.458  -5.281
  124    H    VAL  18           H        VAL  18   8.944  -4.667   0.601
  125    HA   VAL  18           HA       VAL  18  11.454  -5.041   1.848
  126    HB   VAL  18           HB       VAL  18   8.810  -6.419   2.358
  127   HG11  VAL  18          1HG1      VAL  18  10.548  -7.552   3.539
  128   HG12  VAL  18          2HG1      VAL  18  11.292  -6.019   4.052
  129   HG13  VAL  18          3HG1      VAL  18   9.717  -6.510   4.718
  130   HG21  VAL  18          3HG2      VAL  18   8.009  -4.587   3.414
  131   HG22  VAL  18          1HG2      VAL  18   9.607  -4.120   4.043
  132   HG23  VAL  18          2HG2      VAL  18   9.158  -3.719   2.368
  133    H    GLY  19           H        GLY  19   9.482  -6.879  -0.464
  134    HA2  GLY  19           1HA      GLY  19  11.002  -9.317  -0.096
  135    HA3  GLY  19           2HA      GLY  19   9.714  -9.016  -1.245
  136    H    LEU  20           H        LEU  20  11.699  -6.337  -1.498
  137    HA   LEU  20           HA       LEU  20  12.949  -7.446  -3.871
  138    HB2  LEU  20           1HB      LEU  20  11.801  -4.966  -3.149
  139    HB3  LEU  20           2HB      LEU  20  13.508  -4.667  -3.409
  140    HG   LEU  20           HG       LEU  20  12.264  -4.271  -5.445
  141   HD11  LEU  20          1HD1      LEU  20  14.560  -5.182  -5.597
  142   HD12  LEU  20          2HD1      LEU  20  13.876  -6.821  -5.724
  143   HD13  LEU  20          3HD1      LEU  20  13.542  -5.618  -6.992
  144   HD21  LEU  20          3HD2      LEU  20  10.992  -5.961  -6.598
  145   HD22  LEU  20          1HD2      LEU  20  11.401  -7.173  -5.360
  146   HD23  LEU  20          2HD2      LEU  20  10.366  -5.787  -4.941
  147    H    MET  21           H        MET  21  13.671  -6.583  -0.554
  148    HA   MET  21           HA       MET  21  16.425  -6.138  -0.988
  149    HB2  MET  21           1HB      MET  21  14.571  -6.563   1.373
  150    HB3  MET  21           2HB      MET  21  16.292  -6.729   1.659
  151    HG2  MET  21           1HG      MET  21  16.255  -4.386   0.207
  152    HG3  MET  21           2HG      MET  21  14.704  -4.280   1.015
  153    HE1  MET  21           3HE      MET  21  18.733  -4.993   2.137
  154    HE2  MET  21           1HE      MET  21  18.155  -3.839   0.911
  155    HE3  MET  21           2HE      MET  21  18.664  -3.254   2.514
  Start of MODEL    2
    1    H1   ASP   1           H        ASP   1 -13.990  11.161   1.292
    2    HA   ASP   1           HA       ASP   1 -16.110   9.778  -0.131
    3    HB2  ASP   1           1HB      ASP   1 -13.756   8.666  -1.036
    4    HB3  ASP   1           2HB      ASP   1 -14.573  10.015  -1.800
    5    HD2  ASP   1           HD2      ASP   1 -11.791   9.635  -1.928
    6    H    ALA   2           H        ALA   2 -16.490   7.545   0.303
    7    HA   ALA   2           HA       ALA   2 -15.454   6.542   2.756
    8    HB1  ALA   2           3HB      ALA   2 -17.501   5.838   0.737
    9    HB2  ALA   2           1HB      ALA   2 -16.751   4.443   1.548
   10    HB3  ALA   2           2HB      ALA   2 -17.550   5.707   2.512
   11    H    GLY   3           H        GLY   3 -14.831   6.034  -0.737
   12    HA2  GLY   3           1HA      GLY   3 -13.153   3.753  -0.369
   13    HA3  GLY   3           2HA      GLY   3 -13.335   4.728  -1.814
   14    H    HIS   4           H        HIS   4 -12.743   6.933   0.638
   15    HA   HIS   4           HA       HIS   4 -10.165   7.493  -0.303
   16    HB2  HIS   4           1HB      HIS   4 -12.031   8.946   0.906
   17    HB3  HIS   4           2HB      HIS   4 -11.129   8.510   2.343
   18    HD1  HIS   4           HD1      HIS   4 -11.148  11.432   1.653
   19    HD2  HIS   4           HD2      HIS   4  -8.290   8.784   0.099
   20    HE1  HIS   4           HE1      HIS   4  -9.146  12.861   0.970
   21    H    GLY   5           H        GLY   5 -11.335   5.100   1.856
   22    HA2  GLY   5           1HA      GLY   5  -8.977   5.014   3.540
   23    HA3  GLY   5           2HA      GLY   5 -10.356   3.933   3.564
   24    H    GLN   6           H        GLN   6  -9.925   3.891   0.388
   25    HA   GLN   6           HA       GLN   6  -8.637   1.429   0.396
   26    HB2  GLN   6           1HB      GLN   6 -10.184   2.893  -1.392
   27    HB3  GLN   6           2HB      GLN   6  -8.619   2.888  -2.182
   28    HG2  GLN   6           1HG      GLN   6  -9.834   0.917  -2.927
   29    HG3  GLN   6           2HG      GLN   6  -8.521   0.379  -1.897
   30   HE21  GLN   6          2HE2      GLN   6  -8.957  -0.933  -0.290
   31   HE22  GLN   6          1HE2      GLN   6 -10.513  -1.255   0.401
   32    H    ILE   7           H        ILE   7  -7.416   4.663   0.508
   33    HA   ILE   7           HA       ILE   7  -5.023   4.278  -0.933
   34    HB   ILE   7           HB       ILE   7  -6.218   6.435  -0.232
   35   HG12  ILE   7          1HG1      ILE   7  -3.441   7.017   0.345
   36   HG13  ILE   7          2HG1      ILE   7  -3.557   5.826  -0.935
   37   HG21  ILE   7          1HG2      ILE   7  -4.427   6.561   2.128
   38   HG22  ILE   7          2HG2      ILE   7  -6.032   7.281   1.853
   39   HG23  ILE   7          3HG2      ILE   7  -5.891   5.563   2.294
   40   HD11  ILE   7          3HD1      ILE   7  -5.274   8.336  -0.957
   41   HD12  ILE   7          1HD1      ILE   7  -3.628   8.317  -1.634
   42   HD13  ILE   7          2HD1      ILE   7  -4.884   7.256  -2.316
   43    H    SER   8           H        SER   8  -6.185   3.068   2.087
   44    HA   SER   8           HA       SER   8  -3.688   2.948   3.381
   45    HB2  SER   8           1HB      SER   8  -6.165   1.239   3.869
   46    HB3  SER   8           2HB      SER   8  -4.846   1.495   4.994
   47    HG   SER   8           HG       SER   8  -6.717   3.481   4.024
   48    H    HIS   9           H        HIS   9  -5.092   1.250   0.740
   49    HA   HIS   9           HA       HIS   9  -3.776  -1.244   1.283
   50    HB2  HIS   9           1HB      HIS   9  -5.986  -1.073   0.140
   51    HB3  HIS   9           2HB      HIS   9  -5.200  -0.287  -1.216
   52    HD1  HIS   9           HD1      HIS   9  -4.866  -3.591   0.714
   53    HD2  HIS   9           HD2      HIS   9  -4.412  -2.038  -3.156
   54    HE1  HIS   9           HE1      HIS   9  -4.307  -5.574  -0.791
   55    H    LYS  10           H        LYS  10  -2.900   1.840   0.069
   56    HA   LYS  10           HA       LYS  10  -1.101   1.064  -1.949
   57    HB2  LYS  10           1HB      LYS  10  -0.532   3.297  -2.056
   58    HB3  LYS  10           2HB      LYS  10  -2.151   3.376  -1.390
   59    HG2  LYS  10           1HG      LYS  10  -0.986   4.797   0.067
   60    HG3  LYS  10           2HG      LYS  10  -0.939   3.287   0.952
   61    HD2  LYS  10           1HD      LYS  10   1.331   3.057   0.699
   62    HD3  LYS  10           2HD      LYS  10   1.301   3.588  -0.970
   63    HE2  LYS  10           1HE      LYS  10   2.339   5.456  -0.121
   64    HE3  LYS  10           2HE      LYS  10   0.700   5.956   0.249
   65    HZ1  LYS  10           2HZ      LYS  10   2.780   5.194   2.066
   66    HZ3  LYS  10           1HZ      LYS  10   1.398   4.391   2.381
   67    H    ARG  11           H        ARG  11  -1.074   0.700   1.491
   68    HA   ARG  11           HA       ARG  11   1.660   0.947   1.910
   69    HB2  ARG  11           1HB      ARG  11   1.231  -0.123   4.053
   70    HB3  ARG  11           2HB      ARG  11  -0.156   0.887   3.692
   71    HG2  ARG  11           1HG      ARG  11  -1.419  -1.075   2.867
   72    HG3  ARG  11           2HG      ARG  11  -0.020  -2.105   3.092
   73    HD2  ARG  11           1HD      ARG  11  -0.066  -1.636   5.552
   74    HD3  ARG  11           2HD      ARG  11  -1.458  -0.594   5.330
   75    HE   ARG  11           HE       ARG  11  -1.427  -3.546   5.172
   76   HH11  ARG  11          2HH2      ARG  11  -3.262  -0.572   4.590
   77   HH12  ARG  11          1HH2      ARG  11  -4.795  -1.377   4.554
   78   HH22  ARG  11          1HH       ARG  11  -4.882  -3.750   4.871
   79    H    HIS  12           H        HIS  12  -0.151  -1.336   0.116
   80    HA   HIS  12           HA       HIS  12   1.332  -3.663   0.724
   81    HB2  HIS  12           1HB      HIS  12  -0.617  -2.846  -1.409
   82    HB3  HIS  12           2HB      HIS  12   0.304  -4.323  -1.608
   83    HD1  HIS  12           HD1      HIS  12  -1.965  -2.721   1.042
   84    HD2  HIS  12           HD2      HIS  12  -0.848  -6.494  -0.412
   85    HE1  HIS  12           HE1      HIS  12  -3.413  -4.420   2.278
   86    H    LYS  13           H        LYS  13   1.902  -0.804  -1.206
   87    HA   LYS  13           HA       LYS  13   3.714  -2.003  -3.032
   88    HB2  LYS  13           1HB      LYS  13   3.889   0.082  -3.946
   89    HB3  LYS  13           2HB      LYS  13   2.352   0.254  -3.123
   90    HG2  LYS  13           1HG      LYS  13   3.508   1.284  -1.162
   91    HG3  LYS  13           2HG      LYS  13   5.053   1.095  -1.968
   92    HD2  LYS  13           1HD      LYS  13   4.451   2.662  -3.711
   93    HD3  LYS  13           2HD      LYS  13   2.762   2.648  -3.241
   94    HE2  LYS  13           1HE      LYS  13   3.091   4.261  -1.669
   95    HE3  LYS  13           2HE      LYS  13   4.448   3.401  -0.968
   96    HZ1  LYS  13           2HZ      LYS  13   4.504   5.606  -2.767
   97    HZ3  LYS  13           1HZ      LYS  13   5.384   4.377  -3.373
   98    H    THR  14           H        THR  14   3.856  -0.965   0.311
   99    HA   THR  14           HA       THR  14   6.695  -0.574   0.349
  100    HB   THR  14           HB       THR  14   4.576  -0.942   2.532
  101    HG1  THR  14           HG1      THR  14   5.947   1.243   1.142
  102   HG21  THR  14          3HG2      THR  14   7.536  -0.405   2.593
  103   HG22  THR  14          1HG2      THR  14   6.516   0.627   3.625
  104   HG23  THR  14          2HG2      THR  14   6.497  -1.141   3.837
  105    H    ASP  15           H        ASP  15   4.527  -3.323   0.483
  106    HA   ASP  15           HA       ASP  15   6.318  -4.979   1.889
  107    HB2  ASP  15           1HB      ASP  15   3.855  -5.419   0.174
  108    HB3  ASP  15           2HB      ASP  15   4.804  -6.798   0.692
  109    HD2  ASP  15           HD2      ASP  15   2.109  -5.254   2.970
  110    H    SER  16           H        SER  16   5.817  -3.946  -1.469
  111    HA   SER  16           HA       SER  16   7.218  -6.106  -2.628
  112    HB2  SER  16           1HB      SER  16   5.507  -4.226  -3.597
  113    HB3  SER  16           2HB      SER  16   7.023  -3.482  -4.064
  114    HG   SER  16           HG       SER  16   5.998  -6.072  -4.818
  115    H    PHE  17           H        PHE  17   8.078  -3.121  -1.020
  116    HA   PHE  17           HA       PHE  17  10.582  -2.760  -2.322
  117    HB2  PHE  17           1HB      PHE  17   8.957  -1.689  -0.028
  118    HB3  PHE  17           2HB      PHE  17  10.689  -1.509   0.175
  119    HD1  PHE  17           HD2      PHE  17   8.136  -0.981  -2.507
  120    HD2  PHE  17           HD1      PHE  17  11.607   0.470  -0.544
  121    HE1  PHE  17           HE2      PHE  17   8.091   1.074  -3.949
  122    HE2  PHE  17           HE1      PHE  17  11.564   2.525  -1.986
  123    HZ   PHE  17           HZ       PHE  17   9.806   2.802  -3.671
  124    H    VAL  18           H        VAL  18   9.366  -4.803   0.262
  125    HA   VAL  18           HA       VAL  18  11.859  -5.121   1.593
  126    HB   VAL  18           HB       VAL  18   9.406  -6.889   1.596
  127   HG11  VAL  18          1HG1      VAL  18  11.244  -6.541   3.940
  128   HG12  VAL  18          2HG1      VAL  18  10.230  -7.929   3.478
  129   HG13  VAL  18          3HG1      VAL  18  11.745  -7.605   2.603
  130   HG21  VAL  18          3HG2      VAL  18   8.410  -5.551   3.196
  131   HG22  VAL  18          1HG2      VAL  18   9.948  -4.813   3.698
  132   HG23  VAL  18          2HG2      VAL  18   9.188  -4.328   2.163
  133    H    GLY  19           H        GLY  19  10.229  -6.576  -1.206
  134    HA2  GLY  19           1HA      GLY  19  12.044  -8.831  -1.317
  135    HA3  GLY  19           2HA      GLY  19  10.767  -8.421  -2.445
  136    H    LEU  20           H        LEU  20  12.388  -5.541  -1.941
  137    HA   LEU  20           HA       LEU  20  13.854  -5.893  -4.421
  138    HB2  LEU  20           1HB      LEU  20  12.422  -3.779  -3.134
  139    HB3  LEU  20           2HB      LEU  20  14.076  -3.259  -3.386
  140    HG   LEU  20           HG       LEU  20  12.620  -2.602  -5.237
  141   HD11  LEU  20          1HD1      LEU  20  15.048  -3.131  -5.585
  142   HD12  LEU  20          2HD1      LEU  20  14.551  -4.732  -6.182
  143   HD13  LEU  20          3HD1      LEU  20  14.033  -3.262  -7.041
  144   HD21  LEU  20          3HD2      LEU  20  12.008  -5.539  -5.330
  145   HD22  LEU  20          1HD2      LEU  20  10.909  -4.142  -5.406
  146   HD23  LEU  20          2HD2      LEU  20  11.918  -4.559  -6.812
  147    H    MET  21           H        MET  21  14.342  -5.762  -0.954
  148    HA   MET  21           HA       MET  21  17.062  -4.959  -1.160
  149    HB2  MET  21           1HB      MET  21  15.095  -5.741   0.965
  150    HB3  MET  21           2HB      MET  21  16.764  -6.113   1.352
  151    HG2  MET  21           1HG      MET  21  17.346  -3.897   1.574
  152    HG3  MET  21           2HG      MET  21  16.388  -3.399   0.193
  153    HE1  MET  21           3HE      MET  21  14.626  -4.405   4.319
  154    HE2  MET  21           1HE      MET  21  15.801  -5.364   3.387
  155    HE3  MET  21           2HE      MET  21  16.317  -3.862   4.192
  Start of MODEL    3
    1    H1   ASP   1           H        ASP   1 -14.749   9.841   4.223
    2    HA   ASP   1           HA       ASP   1 -16.994   8.457   3.601
    3    HB2  ASP   1           1HB      ASP   1 -15.868   9.436   1.221
    4    HB3  ASP   1           2HB      ASP   1 -15.257   7.796   1.304
    5    HD2  ASP   1           HD2      ASP   1 -18.511   6.422   0.959
    6    H    ALA   2           H        ALA   2 -16.394   5.990   3.236
    7    HA   ALA   2           HA       ALA   2 -14.021   5.467   4.824
    8    HB1  ALA   2           3HB      ALA   2 -15.286   3.050   4.255
    9    HB2  ALA   2           1HB      ALA   2 -15.530   4.042   5.712
   10    HB3  ALA   2           2HB      ALA   2 -16.628   4.216   4.322
   11    H    GLY   3           H        GLY   3 -14.818   5.853   1.562
   12    HA2  GLY   3           1HA      GLY   3 -13.387   3.670   0.417
   13    HA3  GLY   3           2HA      GLY   3 -13.921   5.136  -0.382
   14    H    HIS   4           H        HIS   4 -12.282   6.190   2.344
   15    HA   HIS   4           HA       HIS   4 -10.104   7.108   0.824
   16    HB2  HIS   4           1HB      HIS   4 -11.291   7.644   3.334
   17    HB3  HIS   4           2HB      HIS   4  -9.625   7.221   3.670
   18    HD1  HIS   4           HD1      HIS   4 -10.791   9.109   0.567
   19    HD2  HIS   4           HD2      HIS   4  -8.642   9.770   4.108
   20    HE1  HIS   4           HE1      HIS   4  -9.793  11.449   0.372
   21    H    GLY   5           H        GLY   5 -10.773   4.141   2.526
   22    HA2  GLY   5           1HA      GLY   5  -8.089   3.423   3.158
   23    HA3  GLY   5           2HA      GLY   5  -9.493   2.374   3.105
   24    H    GLN   6           H        GLN   6  -9.905   3.612   0.189
   25    HA   GLN   6           HA       GLN   6  -8.663   1.427  -1.084
   26    HB2  GLN   6           1HB      GLN   6 -10.824   3.068  -1.631
   27    HB3  GLN   6           2HB      GLN   6  -9.650   3.641  -2.799
   28    HG2  GLN   6           1HG      GLN   6 -10.358   1.888  -4.081
   29    HG3  GLN   6           2HG      GLN   6  -9.327   0.913  -3.052
   30   HE21  GLN   6          2HE2      GLN   6 -12.586   2.314  -3.229
   31   HE22  GLN   6          1HE2      GLN   6 -13.436   1.003  -2.483
   32    H    ILE   7           H        ILE   7  -7.660   4.638  -0.234
   33    HA   ILE   7           HA       ILE   7  -5.752   4.857  -2.386
   34    HB   ILE   7           HB       ILE   7  -6.371   6.552   0.030
   35   HG12  ILE   7          1HG1      ILE   7  -8.092   6.558  -1.711
   36   HG13  ILE   7          2HG1      ILE   7  -7.296   8.113  -1.583
   37   HG21  ILE   7          1HG2      ILE   7  -4.070   6.611  -1.823
   38   HG22  ILE   7          2HG2      ILE   7  -4.888   8.169  -1.559
   39   HG23  ILE   7          3HG2      ILE   7  -4.244   7.256  -0.173
   40   HD11  ILE   7          3HD1      ILE   7  -5.757   7.370  -3.495
   41   HD12  ILE   7          1HD1      ILE   7  -6.839   5.972  -3.702
   42   HD13  ILE   7          2HD1      ILE   7  -7.463   7.623  -3.936
   43    H    SER   8           H        SER   8  -5.988   3.432   0.785
   44    HA   SER   8           HA       SER   8  -3.275   3.634   1.451
   45    HB2  SER   8           1HB      SER   8  -5.420   1.658   2.347
   46    HB3  SER   8           2HB      SER   8  -3.838   1.793   3.091
   47    HG   SER   8           HG       SER   8  -4.402   3.636   4.080
   48    H    HIS   9           H        HIS   9  -5.017   1.778  -0.888
   49    HA   HIS   9           HA       HIS   9  -3.483  -0.571  -0.841
   50    HB2  HIS   9           1HB      HIS   9  -5.604   0.607  -2.429
   51    HB3  HIS   9           2HB      HIS   9  -4.417  -0.158  -3.466
   52    HD1  HIS   9           HD1      HIS   9  -5.756  -1.294  -0.049
   53    HD2  HIS   9           HD2      HIS   9  -5.481  -2.609  -4.023
   54    HE1  HIS   9           HE1      HIS   9  -6.695  -3.666  -0.083
   55    H    LYS  10           H        LYS  10  -2.868   2.688  -1.948
   56    HA   LYS  10           HA       LYS  10  -0.951   2.025  -3.922
   57    HB2  LYS  10           1HB      LYS  10  -0.579   4.331  -4.086
   58    HB3  LYS  10           2HB      LYS  10  -2.273   4.192  -3.660
   59    HG2  LYS  10           1HG      LYS  10  -1.610   5.808  -2.120
   60    HG3  LYS  10           2HG      LYS  10  -1.359   4.363  -1.162
   61    HD2  LYS  10           1HD      LYS  10   0.960   4.500  -1.291
   62    HD3  LYS  10           2HD      LYS  10   0.941   5.224  -2.886
   63    HE2  LYS  10           1HE      LYS  10  -0.309   7.174  -1.309
   64    HE3  LYS  10           2HE      LYS  10   0.915   6.531  -0.233
   65    HZ1  LYS  10           2HZ      LYS  10   1.323   7.800  -2.866
   66    HZ3  LYS  10           1HZ      LYS  10   2.471   6.822  -2.252
   67    H    ARG  11           H        ARG  11  -0.994   1.871  -0.470
   68    HA   ARG  11           HA       ARG  11   1.771   2.384  -0.149
   69    HB2  ARG  11           1HB      ARG  11  -0.170   0.970   1.749
   70    HB3  ARG  11           2HB      ARG  11   1.385   1.644   2.192
   71    HG2  ARG  11           1HG      ARG  11   0.332   3.877   1.119
   72    HG3  ARG  11           2HG      ARG  11  -1.179   3.075   1.499
   73    HD2  ARG  11           1HD      ARG  11  -0.950   3.516   3.722
   74    HD3  ARG  11           2HD      ARG  11   0.671   2.852   3.755
   75    HE   ARG  11           HE       ARG  11   0.048   5.616   3.785
   76   HH11  ARG  11          2HH2      ARG  11   2.214   3.437   2.020
   77   HH12  ARG  11          1HH2      ARG  11   3.403   4.661   1.721
   78   HH22  ARG  11          1HH       ARG  11   3.030   6.884   2.537
   79    H    HIS  12           H        HIS  12   0.200  -0.066  -1.708
   80    HA   HIS  12           HA       HIS  12   1.301  -2.371  -0.559
   81    HB2  HIS  12           1HB      HIS  12   0.118  -1.704  -3.248
   82    HB3  HIS  12           2HB      HIS  12   0.824  -3.280  -2.948
   83    HD1  HIS  12           HD1      HIS  12  -1.170  -1.401  -0.316
   84    HD2  HIS  12           HD2      HIS  12  -1.588  -4.674  -2.906
   85    HE1  HIS  12           HE1      HIS  12  -3.323  -2.586   0.371
   86    H    LYS  13           H        LYS  13   2.651   0.211  -2.465
   87    HA   LYS  13           HA       LYS  13   4.686  -1.237  -3.754
   88    HB2  LYS  13           1HB      LYS  13   5.690   0.956  -4.135
   89    HB3  LYS  13           2HB      LYS  13   3.973   0.979  -4.480
   90    HG2  LYS  13           1HG      LYS  13   3.500   2.410  -2.738
   91    HG3  LYS  13           2HG      LYS  13   4.660   1.657  -1.663
   92    HD2  LYS  13           1HD      LYS  13   6.107   2.925  -3.832
   93    HD3  LYS  13           2HD      LYS  13   4.964   4.081  -3.177
   94    HE2  LYS  13           1HE      LYS  13   5.835   3.658  -0.876
   95    HE3  LYS  13           2HE      LYS  13   6.957   2.470  -1.510
   96    HZ1  LYS  13           2HZ      LYS  13   8.324   4.099  -2.253
   97    HZ3  LYS  13           1HZ      LYS  13   7.514   5.103  -1.258
   98    H    THR  14           H        THR  14   4.168  -0.231  -0.438
   99    HA   THR  14           HA       THR  14   6.938  -0.293   0.293
  100    HB   THR  14           HB       THR  14   4.268  -0.180   1.772
  101    HG1  THR  14           HG1      THR  14   6.592   1.512   1.196
  102   HG21  THR  14          3HG2      THR  14   7.083   0.098   2.946
  103   HG22  THR  14          1HG2      THR  14   5.545   0.283   3.822
  104   HG23  THR  14          2HG2      THR  14   6.034  -1.316   3.213
  105    H    ASP  15           H        ASP  15   4.403  -2.664  -0.189
  106    HA   ASP  15           HA       ASP  15   5.527  -4.580   1.540
  107    HB2  ASP  15           1HB      ASP  15   3.512  -4.629  -0.726
  108    HB3  ASP  15           2HB      ASP  15   4.085  -6.140  -0.048
  109    HD2  ASP  15           HD2      ASP  15   0.990  -4.940   1.311
  110    H    SER  16           H        SER  16   6.015  -3.486  -1.800
  111    HA   SER  16           HA       SER  16   7.306  -5.844  -2.669
  112    HB2  SER  16           1HB      SER  16   6.351  -3.427  -3.833
  113    HB3  SER  16           2HB      SER  16   8.069  -3.469  -4.176
  114    HG   SER  16           HG       SER  16   7.039  -4.587  -5.848
  115    H    PHE  17           H        PHE  17   8.201  -3.029  -0.796
  116    HA   PHE  17           HA       PHE  17  10.969  -3.069  -1.450
  117    HB2  PHE  17           1HB      PHE  17   9.026  -1.760   0.443
  118    HB3  PHE  17           2HB      PHE  17  10.672  -1.842   1.040
  119    HD1  PHE  17           HD1      PHE  17   9.201  -1.154  -2.331
  120    HD2  PHE  17           HD2      PHE  17  11.718   0.192   0.809
  121    HE1  PHE  17           HE1      PHE  17   9.792   0.881  -3.677
  122    HE2  PHE  17           HE2      PHE  17  12.308   2.227  -0.537
  123    HZ   PHE  17           HZ       PHE  17  11.338   2.547  -2.764
  124    H    VAL  18           H        VAL  18   8.869  -4.891   0.695
  125    HA   VAL  18           HA       VAL  18  10.907  -5.603   2.554
  126    HB   VAL  18           HB       VAL  18   8.316  -7.045   1.998
  127   HG11  VAL  18          1HG1      VAL  18   9.716  -8.227   3.542
  128   HG12  VAL  18          2HG1      VAL  18  10.077  -6.739   4.449
  129   HG13  VAL  18          3HG1      VAL  18   8.436  -7.428   4.488
  130   HG21  VAL  18          3HG2      VAL  18   7.816  -5.299   4.098
  131   HG22  VAL  18          1HG2      VAL  18   8.728  -4.304   2.938
  132   HG23  VAL  18          2HG2      VAL  18   7.237  -5.128   2.423
  133    H    GLY  19           H        GLY  19   9.736  -6.776  -0.585
  134    HA2  GLY  19           1HA      GLY  19  11.117  -9.313  -0.351
  135    HA3  GLY  19           2HA      GLY  19  10.214  -8.704  -1.722
  136    H    LEU  20           H        LEU  20  12.143  -6.137  -0.785
  137    HA   LEU  20           HA       LEU  20  14.046  -6.757  -2.887
  138    HB2  LEU  20           1HB      LEU  20  12.715  -4.432  -1.942
  139    HB3  LEU  20           2HB      LEU  20  14.434  -4.184  -1.705
  140    HG   LEU  20           HG       LEU  20  14.752  -4.850  -4.140
  141   HD11  LEU  20          1HD1      LEU  20  12.495  -4.235  -5.424
  142   HD12  LEU  20          2HD1      LEU  20  12.905  -5.900  -4.944
  143   HD13  LEU  20          3HD1      LEU  20  11.782  -4.939  -3.952
  144   HD21  LEU  20          3HD2      LEU  20  14.962  -2.555  -3.438
  145   HD22  LEU  20          1HD2      LEU  20  14.074  -2.614  -4.980
  146   HD23  LEU  20          2HD2      LEU  20  13.195  -2.342  -3.455
  147    H    MET  21           H        MET  21  13.760  -6.675   0.604
  148    HA   MET  21           HA       MET  21  16.487  -6.249   1.127
  149    HB2  MET  21           1HB      MET  21  14.067  -6.499   2.581
  150    HB3  MET  21           2HB      MET  21  15.009  -7.877   3.114
  151    HG2  MET  21           1HG      MET  21  16.866  -5.747   3.093
  152    HG3  MET  21           2HG      MET  21  15.395  -5.020   3.706
  153    HE1  MET  21           3HE      MET  21  17.813  -8.442   5.550
  154    HE2  MET  21           1HE      MET  21  17.559  -8.164   3.810
  155    HE3  MET  21           2HE      MET  21  18.519  -7.008   4.764
  Start of MODEL    4
    1    H1   ASP   1           H        ASP   1 -15.509  11.832   1.488
    2    HA   ASP   1           HA       ASP   1 -15.374  10.226   0.039
    3    HB2  ASP   1           1HB      ASP   1 -12.533  10.861   0.621
    4    HB3  ASP   1           2HB      ASP   1 -12.760   9.255  -0.042
    5    HD2  ASP   1           HD2      ASP   1 -13.824  12.325  -2.410
    6    H    ALA   2           H        ALA   2 -15.967   8.038   0.220
    7    HA   ALA   2           HA       ALA   2 -15.319   6.719   2.716
    8    HB1  ALA   2           3HB      ALA   2 -16.965   5.007   1.711
    9    HB2  ALA   2           1HB      ALA   2 -17.613   6.614   2.120
   10    HB3  ALA   2           2HB      ALA   2 -17.241   6.208   0.427
   11    H    GLY   3           H        GLY   3 -14.821   6.361  -0.837
   12    HA2  GLY   3           1HA      GLY   3 -13.438   3.869  -0.610
   13    HA3  GLY   3           2HA      GLY   3 -13.548   4.909  -2.015
   14    H    HIS   4           H        HIS   4 -12.594   6.928   0.486
   15    HA   HIS   4           HA       HIS   4 -10.005   7.203  -0.544
   16    HB2  HIS   4           1HB      HIS   4 -11.701   8.473   1.463
   17    HB3  HIS   4           2HB      HIS   4 -10.023   8.416   1.967
   18    HD1  HIS   4           HD1      HIS   4 -10.318  11.129   1.660
   19    HD2  HIS   4           HD2      HIS   4 -10.217   8.812  -1.837
   20    HE1  HIS   4           HE1      HIS   4  -9.808  12.741  -0.252
   21    H    GLY   5           H        GLY   5 -11.395   4.934   1.644
   22    HA2  GLY   5           1HA      GLY   5  -9.087   4.491   3.284
   23    HA3  GLY   5           2HA      GLY   5 -10.521   3.493   3.159
   24    H    GLN   6           H        GLN   6  -9.977   3.689   0.014
   25    HA   GLN   6           HA       GLN   6  -8.729   1.182  -0.100
   26    HB2  GLN   6           1HB      GLN   6  -9.445   3.215  -2.253
   27    HB3  GLN   6           2HB      GLN   6  -8.794   1.630  -2.617
   28    HG2  GLN   6           1HG      GLN   6 -10.721   0.507  -1.897
   29    HG3  GLN   6           2HG      GLN   6 -11.167   1.768  -0.763
   30   HE21  GLN   6          2HE2      GLN   6 -13.281   1.566  -1.674
   31   HE22  GLN   6          1HE2      GLN   6 -13.709   2.397  -3.133
   32    H    ILE   7           H        ILE   7  -7.520   4.405   0.154
   33    HA   ILE   7           HA       ILE   7  -5.091   3.924  -1.295
   34    HB   ILE   7           HB       ILE   7  -6.049   6.160   0.487
   35   HG12  ILE   7          1HG1      ILE   7  -5.459   6.544  -2.399
   36   HG13  ILE   7          2HG1      ILE   7  -6.860   5.560  -2.027
   37   HG21  ILE   7          1HG2      ILE   7  -3.674   6.105   0.739
   38   HG22  ILE   7          2HG2      ILE   7  -3.433   5.876  -1.010
   39   HG23  ILE   7          3HG2      ILE   7  -4.072   7.418  -0.392
   40   HD11  ILE   7          3HD1      ILE   7  -8.064   7.352  -1.308
   41   HD12  ILE   7          1HD1      ILE   7  -6.710   7.968  -0.330
   42   HD13  ILE   7          2HD1      ILE   7  -6.798   8.347  -2.067
   43    H    SER   8           H        SER   8  -6.366   3.275   1.886
   44    HA   SER   8           HA       SER   8  -3.937   3.348   3.264
   45    HB2  SER   8           1HB      SER   8  -5.140   2.456   5.079
   46    HB3  SER   8           2HB      SER   8  -6.380   3.294   4.167
   47    HG   SER   8           HG       SER   8  -7.407   1.435   3.983
   48    H    HIS   9           H        HIS   9  -5.161   1.252   0.833
   49    HA   HIS   9           HA       HIS   9  -3.797  -1.089   1.806
   50    HB2  HIS   9           1HB      HIS   9  -5.565  -0.434  -0.524
   51    HB3  HIS   9           2HB      HIS   9  -4.536  -1.849  -0.616
   52    HD1  HIS   9           HD1      HIS   9  -4.764  -2.988   2.226
   53    HD2  HIS   9           HD2      HIS   9  -8.025  -1.472   0.066
   54    HE1  HIS   9           HE1      HIS   9  -6.849  -4.063   3.230
   55    H    LYS  10           H        LYS  10  -2.890   1.805   0.341
   56    HA   LYS  10           HA       LYS  10  -1.117   0.884  -1.636
   57    HB2  LYS  10           1HB      LYS  10  -0.452   3.102  -1.826
   58    HB3  LYS  10           2HB      LYS  10  -2.101   3.235  -1.248
   59    HG2  LYS  10           1HG      LYS  10  -1.156   3.380   1.131
   60    HG3  LYS  10           2HG      LYS  10   0.443   3.481   0.420
   61    HD2  LYS  10           1HD      LYS  10  -0.630   5.445  -1.020
   62    HD3  LYS  10           2HD      LYS  10  -1.829   5.476   0.257
   63    HE2  LYS  10           1HE      LYS  10   1.174   5.628   0.787
   64    HE3  LYS  10           2HE      LYS  10   0.163   7.046   0.594
   65    HZ1  LYS  10           2HZ      LYS  10   0.478   5.487   2.903
   66    HZ3  LYS  10           1HZ      LYS  10  -1.082   5.352   2.452
   67    H    ARG  11           H        ARG  11  -1.089   0.648   1.803
   68    HA   ARG  11           HA       ARG  11   1.635   0.895   2.244
   69    HB2  ARG  11           1HB      ARG  11   1.175  -0.282   4.376
   70    HB3  ARG  11           2HB      ARG  11  -0.083   0.894   4.054
   71    HG2  ARG  11           1HG      ARG  11  -1.680  -0.752   3.498
   72    HG3  ARG  11           2HG      ARG  11  -0.464  -1.939   3.066
   73    HD2  ARG  11           1HD      ARG  11   0.014  -1.334   5.810
   74    HD3  ARG  11           2HD      ARG  11  -1.726  -1.465   5.660
   75    HE   ARG  11           HE       ARG  11  -1.404  -3.764   5.528
   76   HH11  ARG  11          2HH2      ARG  11   1.387  -2.186   4.018
   77   HH12  ARG  11          1HH2      ARG  11   2.161  -3.679   3.600
   78   HH22  ARG  11          1HH       ARG  11   1.102  -5.752   4.173
   79    H    HIS  12           H        HIS  12  -0.126  -1.406   0.436
   80    HA   HIS  12           HA       HIS  12   1.415  -3.703   1.096
   81    HB2  HIS  12           1HB      HIS  12  -0.585  -3.021  -1.052
   82    HB3  HIS  12           2HB      HIS  12   0.316  -4.523  -1.108
   83    HD1  HIS  12           HD1      HIS  12  -1.660  -2.678   1.633
   84    HD2  HIS  12           HD2      HIS  12  -1.130  -6.520   0.035
   85    HE1  HIS  12           HE1      HIS  12  -3.200  -4.222   2.957
   86    H    LYS  13           H        LYS  13   1.820  -0.886  -0.936
   87    HA   LYS  13           HA       LYS  13   3.572  -2.062  -2.819
   88    HB2  LYS  13           1HB      LYS  13   3.150   0.823  -1.986
   89    HB3  LYS  13           2HB      LYS  13   4.121   0.312  -3.352
   90    HG2  LYS  13           1HG      LYS  13   1.182  -0.442  -3.015
   91    HG3  LYS  13           2HG      LYS  13   1.714   0.967  -3.910
   92    HD2  LYS  13           1HD      LYS  13   1.912  -0.379  -5.728
   93    HD3  LYS  13           2HD      LYS  13   3.308  -1.099  -4.953
   94    HE2  LYS  13           1HE      LYS  13   2.186  -3.030  -4.440
   95    HE3  LYS  13           2HE      LYS  13   0.748  -2.173  -3.922
   96    HZ1  LYS  13           2HZ      LYS  13   0.630  -1.748  -6.550
   97    HZ3  LYS  13           1HZ      LYS  13  -0.052  -3.054  -5.855
   98    H    THR  14           H        THR  14   3.867  -1.026   0.513
   99    HA   THR  14           HA       THR  14   6.701  -0.614   0.415
  100    HB   THR  14           HB       THR  14   4.610  -0.911   2.627
  101    HG1  THR  14           HG1      THR  14   5.011   1.396   2.626
  102   HG21  THR  14          3HG2      THR  14   6.270  -0.928   4.197
  103   HG22  THR  14          1HG2      THR  14   7.449  -1.209   2.894
  104   HG23  THR  14          2HG2      THR  14   7.064   0.452   3.403
  105    H    ASP  15           H        ASP  15   4.563  -3.379   0.653
  106    HA   ASP  15           HA       ASP  15   6.432  -5.023   1.968
  107    HB2  ASP  15           1HB      ASP  15   3.894  -5.484   0.370
  108    HB3  ASP  15           2HB      ASP  15   4.875  -6.855   0.848
  109    HD2  ASP  15           HD2      ASP  15   2.172  -6.522   2.244
  110    H    SER  16           H        SER  16   5.761  -3.991  -1.360
  111    HA   SER  16           HA       SER  16   7.121  -6.140  -2.590
  112    HB2  SER  16           1HB      SER  16   5.770  -3.632  -3.420
  113    HB3  SER  16           2HB      SER  16   7.115  -4.080  -4.450
  114    HG   SER  16           HG       SER  16   6.142  -6.135  -4.824
  115    H    PHE  17           H        PHE  17   8.035  -3.151  -1.022
  116    HA   PHE  17           HA       PHE  17  10.470  -2.770  -2.443
  117    HB2  PHE  17           1HB      PHE  17   8.948  -1.711  -0.074
  118    HB3  PHE  17           2HB      PHE  17  10.686  -1.524   0.053
  119    HD1  PHE  17           HD1      PHE  17   8.119  -1.082  -2.636
  120    HD2  PHE  17           HD2      PHE  17  11.458   0.542  -0.581
  121    HE1  PHE  17           HE1      PHE  17   8.002   0.974  -4.070
  122    HE2  PHE  17           HE2      PHE  17  11.341   2.598  -2.014
  123    HZ   PHE  17           HZ       PHE  17   9.614   2.790  -3.743
  124    H    VAL  18           H        VAL  18   9.397  -4.824   0.195
  125    HA   VAL  18           HA       VAL  18  11.924  -5.118   1.440
  126    HB   VAL  18           HB       VAL  18   9.555  -6.994   1.448
  127   HG11  VAL  18          1HG1      VAL  18  11.597  -6.516   3.633
  128   HG12  VAL  18          2HG1      VAL  18  10.390  -7.820   3.515
  129   HG13  VAL  18          3HG1      VAL  18  11.774  -7.785   2.397
  130   HG21  VAL  18          3HG2      VAL  18   8.370  -5.567   2.701
  131   HG22  VAL  18          1HG2      VAL  18   9.772  -5.189   3.731
  132   HG23  VAL  18          2HG2      VAL  18   9.529  -4.312   2.201
  133    H    GLY  19           H        GLY  19  10.291  -6.556  -1.366
  134    HA2  GLY  19           1HA      GLY  19  12.142  -8.765  -1.565
  135    HA3  GLY  19           2HA      GLY  19  10.869  -8.324  -2.684
  136    H    LEU  20           H        LEU  20  12.414  -5.436  -2.104
  137    HA   LEU  20           HA       LEU  20  13.936  -5.705  -4.561
  138    HB2  LEU  20           1HB      LEU  20  12.512  -3.601  -3.159
  139    HB3  LEU  20           2HB      LEU  20  14.124  -3.088  -3.616
  140    HG   LEU  20           HG       LEU  20  13.146  -4.340  -5.912
  141   HD11  LEU  20          1HD1      LEU  20  10.912  -4.442  -5.536
  142   HD12  LEU  20          2HD1      LEU  20  10.930  -3.106  -4.359
  143   HD13  LEU  20          3HD1      LEU  20  10.999  -2.757  -6.103
  144   HD21  LEU  20          3HD2      LEU  20  14.407  -2.038  -5.295
  145   HD22  LEU  20          1HD2      LEU  20  13.701  -2.385  -6.892
  146   HD23  LEU  20          2HD2      LEU  20  12.797  -1.405  -5.713
  147    H    MET  21           H        MET  21  14.354  -5.612  -1.082
  148    HA   MET  21           HA       MET  21  17.106  -4.833  -1.312
  149    HB2  MET  21           1HB      MET  21  15.299  -4.411   0.634
  150    HB3  MET  21           2HB      MET  21  15.823  -5.988   1.192
  151    HG2  MET  21           1HG      MET  21  17.505  -4.878   2.264
  152    HG3  MET  21           2HG      MET  21  18.255  -4.730   0.687
  153    HE1  MET  21           3HE      MET  21  17.961  -1.531  -0.580
  154    HE2  MET  21           1HE      MET  21  19.217  -1.697   0.669
  155    HE3  MET  21           2HE      MET  21  18.797  -3.088  -0.359
  Start of MODEL    5
    1    H1   ASP   1           H        ASP   1 -14.436  10.221   4.985
    2    HA   ASP   1           HA       ASP   1 -15.535   9.209   2.742
    3    HB2  ASP   1           1HB      ASP   1 -12.685   9.623   3.660
    4    HB3  ASP   1           2HB      ASP   1 -12.954   8.829   2.122
    5    HD2  ASP   1           HD2      ASP   1 -12.205  10.472   0.895
    6    H    ALA   2           H        ALA   2 -15.724   7.120   1.828
    7    HA   ALA   2           HA       ALA   2 -14.949   4.913   3.533
    8    HB1  ALA   2           3HB      ALA   2 -16.944   4.221   2.755
    9    HB2  ALA   2           1HB      ALA   2 -16.970   5.495   1.512
   10    HB3  ALA   2           2HB      ALA   2 -16.151   3.948   1.184
   11    H    GLY   3           H        GLY   3 -14.221   6.323   0.303
   12    HA2  GLY   3           1HA      GLY   3 -12.475   4.204  -0.486
   13    HA3  GLY   3           2HA      GLY   3 -12.665   5.774  -1.242
   14    H    HIS   4           H        HIS   4 -12.190   6.437   2.007
   15    HA   HIS   4           HA       HIS   4  -9.617   7.451   1.561
   16    HB2  HIS   4           1HB      HIS   4  -9.913   8.493   3.536
   17    HB3  HIS   4           2HB      HIS   4 -11.578   7.996   3.310
   18    HD1  HIS   4           HD1      HIS   4 -12.539   7.061   5.404
   19    HD2  HIS   4           HD2      HIS   4  -8.461   6.156   5.017
   20    HE1  HIS   4           HE1      HIS   4 -11.907   5.708   7.474
   21    H    GLY   5           H        GLY   5 -10.828   4.304   2.494
   22    HA2  GLY   5           1HA      GLY   5  -8.359   3.461   3.755
   23    HA3  GLY   5           2HA      GLY   5  -9.792   2.501   3.450
   24    H    GLN   6           H        GLN   6  -9.628   3.778   0.526
   25    HA   GLN   6           HA       GLN   6  -8.287   1.530  -0.538
   26    HB2  GLN   6           1HB      GLN   6  -9.989   3.734  -1.522
   27    HB3  GLN   6           2HB      GLN   6  -8.740   3.284  -2.666
   28    HG2  GLN   6           1HG      GLN   6 -10.442   1.783  -3.247
   29    HG3  GLN   6           2HG      GLN   6  -9.497   0.805  -2.142
   30   HE21  GLN   6          2HE2      GLN   6 -12.484   2.323  -2.782
   31   HE22  GLN   6          1HE2      GLN   6 -13.343   1.877  -1.345
   32    H    ILE   7           H        ILE   7  -7.363   4.750   0.416
   33    HA   ILE   7           HA       ILE   7  -5.270   5.162  -1.416
   34    HB   ILE   7           HB       ILE   7  -4.592   6.920   0.038
   35   HG12  ILE   7          1HG1      ILE   7  -6.180   6.956   2.276
   36   HG13  ILE   7          2HG1      ILE   7  -5.831   5.245   2.127
   37   HG21  ILE   7          1HG2      ILE   7  -7.511   6.505  -0.419
   38   HG22  ILE   7          2HG2      ILE   7  -7.004   7.879   0.594
   39   HG23  ILE   7          3HG2      ILE   7  -6.405   7.737  -1.075
   40   HD11  ILE   7          3HD1      ILE   7  -4.158   6.835   3.432
   41   HD12  ILE   7          1HD1      ILE   7  -3.520   5.541   2.389
   42   HD13  ILE   7          2HD1      ILE   7  -3.566   7.219   1.798
   43    H    SER   8           H        SER   8  -5.674   3.051   1.345
   44    HA   SER   8           HA       SER   8  -2.884   2.828   1.841
   45    HB2  SER   8           1HB      SER   8  -4.796   2.452   3.523
   46    HB3  SER   8           2HB      SER   8  -5.081   0.917   2.729
   47    HG   SER   8           HG       SER   8  -3.046   0.169   3.355
   48    H    HIS   9           H        HIS   9  -5.183   1.508  -0.415
   49    HA   HIS   9           HA       HIS   9  -3.949  -1.001  -0.794
   50    HB2  HIS   9           1HB      HIS   9  -6.231   0.425  -1.763
   51    HB3  HIS   9           2HB      HIS   9  -5.319  -0.135  -3.151
   52    HD1  HIS   9           HD1      HIS   9  -5.964  -2.416  -3.912
   53    HD2  HIS   9           HD2      HIS   9  -6.577  -1.909   0.206
   54    HE1  HIS   9           HE1      HIS   9  -6.989  -4.595  -3.068
   55    H    LYS  10           H        LYS  10  -3.081   2.244  -1.612
   56    HA   LYS  10           HA       LYS  10  -1.565   1.482  -3.947
   57    HB2  LYS  10           1HB      LYS  10  -1.333   3.725  -4.349
   58    HB3  LYS  10           2HB      LYS  10  -2.833   3.726  -3.445
   59    HG2  LYS  10           1HG      LYS  10  -1.232   3.982  -1.334
   60    HG3  LYS  10           2HG      LYS  10  -0.065   4.535  -2.520
   61    HD2  LYS  10           1HD      LYS  10  -2.395   5.928  -3.229
   62    HD3  LYS  10           2HD      LYS  10  -2.470   5.900  -1.478
   63    HE2  LYS  10           1HE      LYS  10   0.073   6.700  -2.954
   64    HE3  LYS  10           2HE      LYS  10  -1.182   7.866  -2.589
   65    HZ1  LYS  10           2HZ      LYS  10  -0.919   7.402  -0.245
   66    HZ3  LYS  10           1HZ      LYS  10   0.563   7.711  -0.845
   67    H    ARG  11           H        ARG  11  -1.201   1.469  -0.512
   68    HA   ARG  11           HA       ARG  11   1.597   1.923  -0.556
   69    HB2  ARG  11           1HB      ARG  11  -0.158   0.704   1.636
   70    HB3  ARG  11           2HB      ARG  11   1.477   1.296   1.857
   71    HG2  ARG  11           1HG      ARG  11  -0.255   3.312   0.582
   72    HG3  ARG  11           2HG      ARG  11  -0.891   2.795   2.130
   73    HD2  ARG  11           1HD      ARG  11   1.930   3.124   2.500
   74    HD3  ARG  11           2HD      ARG  11   1.391   4.518   1.586
   75    HE   ARG  11           HE       ARG  11   0.468   5.294   3.575
   76   HH11  ARG  11          2HH2      ARG  11   0.271   1.756   3.593
   77   HH12  ARG  11          1HH2      ARG  11  -0.510   1.684   5.138
   78   HH22  ARG  11          1HH       ARG  11  -0.991   3.721   6.306
   79    H    HIS  12           H        HIS  12  -0.168  -0.530  -1.827
   80    HA   HIS  12           HA       HIS  12   0.942  -2.824  -0.668
   81    HB2  HIS  12           1HB      HIS  12  -0.058  -4.007  -2.453
   82    HB3  HIS  12           2HB      HIS  12  -1.138  -2.684  -2.063
   83    HD1  HIS  12           HD1      HIS  12  -0.817  -0.468  -3.722
   84    HD2  HIS  12           HD2      HIS  12   0.567  -4.176  -5.113
   85    HE1  HIS  12           HE1      HIS  12  -0.583  -0.240  -6.252
   86    H    LYS  13           H        LYS  13   2.131  -0.451  -2.986
   87    HA   LYS  13           HA       LYS  13   4.100  -2.111  -4.156
   88    HB2  LYS  13           1HB      LYS  13   3.775   0.896  -3.998
   89    HB3  LYS  13           2HB      LYS  13   5.048   0.105  -4.905
   90    HG2  LYS  13           1HG      LYS  13   3.491  -0.951  -6.397
   91    HG3  LYS  13           2HG      LYS  13   2.132  -0.648  -5.331
   92    HD2  LYS  13           1HD      LYS  13   3.500   1.850  -6.084
   93    HD3  LYS  13           2HD      LYS  13   2.955   0.962  -7.493
   94    HE2  LYS  13           1HE      LYS  13   0.884   0.926  -5.430
   95    HE3  LYS  13           2HE      LYS  13   1.377   2.576  -5.755
   96    HZ1  LYS  13           2HZ      LYS  13  -0.412   1.447  -7.255
   97    HZ3  LYS  13           1HZ      LYS  13   0.857   0.791  -8.036
   98    H    THR  14           H        THR  14   3.780  -0.444  -1.093
   99    HA   THR  14           HA       THR  14   6.596  -0.269  -0.588
  100    HB   THR  14           HB       THR  14   4.131  -0.064   1.224
  101    HG1  THR  14           HG1      THR  14   4.059   1.912   0.228
  102   HG21  THR  14          3HG2      THR  14   6.299  -0.346   2.490
  103   HG22  THR  14          1HG2      THR  14   6.981   1.013   1.563
  104   HG23  THR  14          2HG2      THR  14   5.617   1.288   2.674
  105    H    ASP  15           H        ASP  15   4.146  -2.764  -0.370
  106    HA   ASP  15           HA       ASP  15   5.474  -4.237   1.627
  107    HB2  ASP  15           1HB      ASP  15   3.312  -4.824  -0.418
  108    HB3  ASP  15           2HB      ASP  15   3.998  -6.140   0.513
  109    HD2  ASP  15           HD2      ASP  15   1.744  -5.752   2.850
  110    H    SER  16           H        SER  16   5.678  -3.857  -1.896
  111    HA   SER  16           HA       SER  16   7.012  -6.304  -2.355
  112    HB2  SER  16           1HB      SER  16   5.688  -4.626  -3.976
  113    HB3  SER  16           2HB      SER  16   7.287  -3.949  -4.217
  114    HG   SER  16           HG       SER  16   6.282  -6.044  -5.466
  115    H    PHE  17           H        PHE  17   7.906  -3.133  -1.180
  116    HA   PHE  17           HA       PHE  17  10.621  -3.227  -2.023
  117    HB2  PHE  17           1HB      PHE  17   8.755  -1.605  -0.306
  118    HB3  PHE  17           2HB      PHE  17  10.437  -1.516   0.177
  119    HD1  PHE  17           HD2      PHE  17   8.613  -1.501  -3.092
  120    HD2  PHE  17           HD1      PHE  17  11.495   0.366  -0.600
  121    HE1  PHE  17           HE2      PHE  17   9.031   0.223  -4.868
  122    HE2  PHE  17           HE1      PHE  17  11.913   2.090  -2.376
  123    HZ   PHE  17           HZ       PHE  17  10.676   1.998  -4.488
  124    H    VAL  18           H        VAL  18   8.758  -4.619   0.609
  125    HA   VAL  18           HA       VAL  18  10.863  -4.823   2.476
  126    HB   VAL  18           HB       VAL  18   8.384  -6.525   2.163
  127   HG11  VAL  18          1HG1      VAL  18   8.919  -6.195   4.864
  128   HG12  VAL  18          2HG1      VAL  18   9.275  -7.641   3.891
  129   HG13  VAL  18          3HG1      VAL  18  10.534  -6.410   4.147
  130   HG21  VAL  18          3HG2      VAL  18   8.356  -3.816   2.393
  131   HG22  VAL  18          1HG2      VAL  18   7.096  -4.888   3.048
  132   HG23  VAL  18          2HG2      VAL  18   8.395  -4.291   4.108
  133    H    GLY  19           H        GLY  19   9.851  -6.678  -0.377
  134    HA2  GLY  19           1HA      GLY  19  11.516  -8.952   0.287
  135    HA3  GLY  19           2HA      GLY  19  10.562  -8.704  -1.163
  136    H    LEU  20           H        LEU  20  12.175  -5.808  -0.723
  137    HA   LEU  20           HA       LEU  20  14.158  -6.574  -2.700
  138    HB2  LEU  20           1HB      LEU  20  12.536  -4.317  -2.235
  139    HB3  LEU  20           2HB      LEU  20  14.185  -3.794  -1.952
  140    HG   LEU  20           HG       LEU  20  13.506  -3.383  -4.255
  141   HD11  LEU  20          1HD1      LEU  20  15.806  -3.652  -4.116
  142   HD12  LEU  20          2HD1      LEU  20  15.690  -5.390  -3.752
  143   HD13  LEU  20          3HD1      LEU  20  15.350  -4.800  -5.397
  144   HD21  LEU  20          3HD2      LEU  20  13.398  -5.681  -5.652
  145   HD22  LEU  20          1HD2      LEU  20  12.661  -6.223  -4.125
  146   HD23  LEU  20          2HD2      LEU  20  11.961  -4.848  -5.011
  147    H    MET  21           H        MET  21  13.830  -5.906   0.723
  148    HA   MET  21           HA       MET  21  16.488  -5.087   1.127
  149    HB2  MET  21           1HB      MET  21  14.063  -5.642   2.682
  150    HB3  MET  21           2HB      MET  21  15.452  -6.333   3.496
  151    HG2  MET  21           1HG      MET  21  15.860  -4.248   4.317
  152    HG3  MET  21           2HG      MET  21  16.393  -3.814   2.704
  153    HE1  MET  21           3HE      MET  21  12.454  -2.743   4.746
  154    HE2  MET  21           1HE      MET  21  13.100  -4.401   4.783
  155    HE3  MET  21           2HE      MET  21  14.034  -3.066   5.498
  Start of MODEL    6
    1    H1   ASP   1           H        ASP   1 -14.152  11.703   2.528
    2    HA   ASP   1           HA       ASP   1 -15.143  10.577   0.881
    3    HB2  ASP   1           1HB      ASP   1 -12.362   9.703  -0.037
    4    HB3  ASP   1           2HB      ASP   1 -13.859   9.329  -0.868
    5    HD2  ASP   1           HD2      ASP   1 -11.768  11.982  -0.052
    6    H    ALA   2           H        ALA   2 -16.009   8.443   1.140
    7    HA   ALA   2           HA       ALA   2 -14.990   6.941   3.314
    8    HB1  ALA   2           3HB      ALA   2 -17.424   7.247   2.479
    9    HB2  ALA   2           1HB      ALA   2 -17.027   5.991   1.281
   10    HB3  ALA   2           2HB      ALA   2 -16.931   5.624   3.020
   11    H    GLY   3           H        GLY   3 -14.775   6.757  -0.254
   12    HA2  GLY   3           1HA      GLY   3 -13.661   4.130  -0.323
   13    HA3  GLY   3           2HA      GLY   3 -13.702   5.311  -1.618
   14    H    HIS   4           H        HIS   4 -12.439   6.969   1.003
   15    HA   HIS   4           HA       HIS   4  -9.871   7.044  -0.112
   16    HB2  HIS   4           1HB      HIS   4 -11.023   8.861   1.186
   17    HB3  HIS   4           2HB      HIS   4 -10.744   7.938   2.648
   18    HD1  HIS   4           HD1      HIS   4  -8.064   7.399   3.137
   19    HD2  HIS   4           HD2      HIS   4  -8.970  10.553   0.524
   20    HE1  HIS   4           HE1      HIS   4  -5.963   8.841   3.000
   21    H    GLY   5           H        GLY   5 -11.444   4.843   2.080
   22    HA2  GLY   5           1HA      GLY   5  -9.226   3.984   3.592
   23    HA3  GLY   5           2HA      GLY   5 -10.708   3.099   3.293
   24    H    GLN   6           H        GLN   6 -10.032   3.622   0.218
   25    HA   GLN   6           HA       GLN   6  -8.818   1.089  -0.098
   26    HB2  GLN   6           1HB      GLN   6  -9.789   3.252  -1.984
   27    HB3  GLN   6           2HB      GLN   6  -8.874   1.893  -2.606
   28    HG2  GLN   6           1HG      GLN   6 -10.511   0.297  -1.771
   29    HG3  GLN   6           2HG      GLN   6 -11.337   1.534  -0.844
   30   HE21  GLN   6          2HE2      GLN   6 -12.387   3.272  -1.977
   31   HE22  GLN   6          1HE2      GLN   6 -13.055   3.022  -3.555
   32    H    ILE   7           H        ILE   7  -7.618   4.243   0.469
   33    HA   ILE   7           HA       ILE   7  -5.308   4.135  -1.169
   34    HB   ILE   7           HB       ILE   7  -6.511   6.142  -0.085
   35   HG12  ILE   7          1HG1      ILE   7  -3.583   6.458   0.281
   36   HG13  ILE   7          2HG1      ILE   7  -4.093   5.829  -1.274
   37   HG21  ILE   7          1HG2      ILE   7  -4.543   5.695   2.150
   38   HG22  ILE   7          2HG2      ILE   7  -5.909   6.832   2.059
   39   HG23  ILE   7          3HG2      ILE   7  -6.214   5.089   2.247
   40   HD11  ILE   7          3HD1      ILE   7  -4.945   7.835  -1.927
   41   HD12  ILE   7          1HD1      ILE   7  -5.783   8.072  -0.374
   42   HD13  ILE   7          2HD1      ILE   7  -4.068   8.519  -0.536
   43    H    SER   8           H        SER   8  -6.286   2.590   1.795
   44    HA   SER   8           HA       SER   8  -3.763   2.327   2.945
   45    HB2  SER   8           1HB      SER   8  -6.437   0.992   3.240
   46    HB3  SER   8           2HB      SER   8  -5.053   0.151   3.909
   47    HG   SER   8           HG       SER   8  -4.759   1.703   5.418
   48    H    HIS   9           H        HIS   9  -5.211   0.928   0.126
   49    HA   HIS   9           HA       HIS   9  -3.835  -1.553   0.217
   50    HB2  HIS   9           1HB      HIS   9  -4.993  -2.057  -1.662
   51    HB3  HIS   9           2HB      HIS   9  -5.993  -0.731  -1.103
   52    HD1  HIS   9           HD1      HIS   9  -4.922  -1.880  -4.153
   53    HD2  HIS   9           HD2      HIS   9  -4.466   1.852  -2.294
   54    HE1  HIS   9           HE1      HIS   9  -4.486  -0.198  -6.022
   55    H    LYS  10           H        LYS  10  -2.964   1.726  -0.508
   56    HA   LYS  10           HA       LYS  10  -0.934   1.150  -2.402
   57    HB2  LYS  10           1HB      LYS  10  -2.197   3.365  -1.928
   58    HB3  LYS  10           2HB      LYS  10  -1.035   3.594  -0.638
   59    HG2  LYS  10           1HG      LYS  10   0.321   4.497  -2.230
   60    HG3  LYS  10           2HG      LYS  10   0.615   2.848  -2.743
   61    HD2  LYS  10           1HD      LYS  10  -0.791   3.011  -4.590
   62    HD3  LYS  10           2HD      LYS  10  -1.876   4.142  -3.806
   63    HE2  LYS  10           1HE      LYS  10  -0.803   5.909  -4.745
   64    HE3  LYS  10           2HE      LYS  10   0.732   5.391  -4.074
   65    HZ1  LYS  10           2HZ      LYS  10   0.466   3.648  -6.079
   66    HZ3  LYS  10           1HZ      LYS  10   1.207   5.085  -6.269
   67    H    ARG  11           H        ARG  11  -1.246   0.871   1.072
   68    HA   ARG  11           HA       ARG  11   1.440   1.183   1.708
   69    HB2  ARG  11           1HB      ARG  11  -0.961  -0.104   3.019
   70    HB3  ARG  11           2HB      ARG  11   0.619  -0.448   3.695
   71    HG2  ARG  11           1HG      ARG  11   0.809   1.637   4.601
   72    HG3  ARG  11           2HG      ARG  11   0.296   2.420   3.119
   73    HD2  ARG  11           1HD      ARG  11  -1.620   2.936   4.250
   74    HD3  ARG  11           2HD      ARG  11  -2.079   1.265   3.984
   75    HE   ARG  11           HE       ARG  11  -1.063   2.431   6.501
   76   HH11  ARG  11          2HH2      ARG  11  -1.856  -0.529   4.724
   77   HH12  ARG  11          1HH2      ARG  11  -1.975  -1.503   6.152
   78   HH22  ARG  11          1HH       ARG  11  -1.598  -0.496   8.294
   79    H    HIS  12           H        HIS  12  -0.334  -1.341   0.085
   80    HA   HIS  12           HA       HIS  12   1.289  -3.516   0.857
   81    HB2  HIS  12           1HB      HIS  12  -0.731  -3.005  -1.309
   82    HB3  HIS  12           2HB      HIS  12   0.252  -4.455  -1.364
   83    HD1  HIS  12           HD1      HIS  12  -1.248  -2.876   1.779
   84    HD2  HIS  12           HD2      HIS  12  -1.596  -6.334  -0.569
   85    HE1  HIS  12           HE1      HIS  12  -2.822  -4.439   3.039
   86    H    LYS  13           H        LYS  13   1.732  -0.794  -1.255
   87    HA   LYS  13           HA       LYS  13   3.515  -2.047  -3.073
   88    HB2  LYS  13           1HB      LYS  13   3.010   0.863  -2.389
   89    HB3  LYS  13           2HB      LYS  13   4.059   0.323  -3.685
   90    HG2  LYS  13           1HG      LYS  13   1.141  -0.542  -3.464
   91    HG3  LYS  13           2HG      LYS  13   1.638   0.887  -4.349
   92    HD2  LYS  13           1HD      LYS  13   2.365  -0.343  -6.123
   93    HD3  LYS  13           2HD      LYS  13   3.285  -1.423  -5.095
   94    HE2  LYS  13           1HE      LYS  13   1.661  -3.025  -5.146
   95    HE3  LYS  13           2HE      LYS  13   0.395  -1.868  -4.783
   96    HZ1  LYS  13           2HZ      LYS  13   1.324  -2.785  -7.383
   97    HZ3  LYS  13           1HZ      LYS  13   0.940  -1.203  -7.309
   98    H    THR  14           H        THR  14   3.733  -0.852   0.211
   99    HA   THR  14           HA       THR  14   6.562  -0.405   0.148
  100    HB   THR  14           HB       THR  14   4.392  -0.574   2.287
  101    HG1  THR  14           HG1      THR  14   6.295   1.461   1.370
  102   HG21  THR  14          3HG2      THR  14   7.315   0.229   2.698
  103   HG22  THR  14          1HG2      THR  14   6.037   0.150   3.933
  104   HG23  THR  14          2HG2      THR  14   6.665  -1.347   3.206
  105    H    ASP  15           H        ASP  15   4.458  -3.186   0.469
  106    HA   ASP  15           HA       ASP  15   6.312  -4.742   1.901
  107    HB2  ASP  15           1HB      ASP  15   3.758  -5.198   0.382
  108    HB3  ASP  15           2HB      ASP  15   4.776  -6.602   0.642
  109    HD2  ASP  15           HD2      ASP  15   2.167  -5.492   3.007
  110    H    SER  16           H        SER  16   5.680  -3.912  -1.501
  111    HA   SER  16           HA       SER  16   7.057  -6.073  -2.627
  112    HB2  SER  16           1HB      SER  16   6.796  -4.926  -4.705
  113    HB3  SER  16           2HB      SER  16   5.374  -4.516  -3.765
  114    HG   SER  16           HG       SER  16   6.631  -2.528  -3.097
  115    H    PHE  17           H        PHE  17   8.022  -3.023  -1.151
  116    HA   PHE  17           HA       PHE  17  10.560  -2.869  -2.426
  117    HB2  PHE  17           1HB      PHE  17   8.842  -1.322  -0.760
  118    HB3  PHE  17           2HB      PHE  17  10.226  -1.648   0.264
  119    HD1  PHE  17           HD1      PHE  17  12.525  -0.977  -0.558
  120    HD2  PHE  17           HD2      PHE  17   8.956   0.305  -2.463
  121    HE1  PHE  17           HE1      PHE  17  13.786   0.886  -1.670
  122    HE2  PHE  17           HE2      PHE  17  10.218   2.169  -3.573
  123    HZ   PHE  17           HZ       PHE  17  12.618   2.437  -3.164
  124    H    VAL  18           H        VAL  18   9.210  -4.649   0.288
  125    HA   VAL  18           HA       VAL  18  11.588  -4.958   1.761
  126    HB   VAL  18           HB       VAL  18   9.177  -6.776   1.590
  127   HG11  VAL  18          1HG1      VAL  18  10.093  -7.975   3.234
  128   HG12  VAL  18          2HG1      VAL  18  11.596  -7.051   3.003
  129   HG13  VAL  18          3HG1      VAL  18  10.396  -6.514   4.203
  130   HG21  VAL  18          3HG2      VAL  18   9.057  -4.121   2.188
  131   HG22  VAL  18          1HG2      VAL  18   7.959  -5.353   2.857
  132   HG23  VAL  18          2HG2      VAL  18   9.372  -4.812   3.797
  133    H    GLY  19           H        GLY  19  10.238  -6.507  -1.135
  134    HA2  GLY  19           1HA      GLY  19  12.096  -8.726  -1.036
  135    HA3  GLY  19           2HA      GLY  19  10.919  -8.364  -2.282
  136    H    LEU  20           H        LEU  20  12.435  -5.442  -1.699
  137    HA   LEU  20           HA       LEU  20  14.126  -5.816  -4.029
  138    HB2  LEU  20           1HB      LEU  20  12.646  -3.636  -2.791
  139    HB3  LEU  20           2HB      LEU  20  14.285  -3.168  -3.200
  140    HG   LEU  20           HG       LEU  20  13.376  -4.520  -5.474
  141   HD11  LEU  20          1HD1      LEU  20  11.078  -4.250  -4.304
  142   HD12  LEU  20          2HD1      LEU  20  11.225  -2.539  -4.774
  143   HD13  LEU  20          3HD1      LEU  20  11.238  -3.808  -6.021
  144   HD21  LEU  20          3HD2      LEU  20  14.825  -2.649  -5.618
  145   HD22  LEU  20          1HD2      LEU  20  13.320  -2.193  -6.453
  146   HD23  LEU  20          2HD2      LEU  20  13.650  -1.582  -4.813
  147    H    MET  21           H        MET  21  14.296  -5.605  -0.538
  148    HA   MET  21           HA       MET  21  16.942  -4.662  -0.421
  149    HB2  MET  21           1HB      MET  21  14.810  -5.521   1.381
  150    HB3  MET  21           2HB      MET  21  16.306  -6.286   1.878
  151    HG2  MET  21           1HG      MET  21  16.662  -3.428   1.186
  152    HG3  MET  21           2HG      MET  21  15.525  -3.670   2.499
  153    HE1  MET  21           3HE      MET  21  17.715  -2.200   3.893
  154    HE2  MET  21           1HE      MET  21  19.365  -2.826   3.662
  155    HE3  MET  21           2HE      MET  21  18.403  -2.313   2.255
  Start of MODEL    7
    1    H1   ASP   1           H        ASP   1 -13.574  11.999   1.887
    2    HA   ASP   1           HA       ASP   1 -15.418  10.513   0.598
    3    HB2  ASP   1           1HB      ASP   1 -12.424   9.930   0.538
    4    HB3  ASP   1           2HB      ASP   1 -13.571   9.649  -0.756
    5    HD2  ASP   1           HD2      ASP   1 -11.227  12.244  -0.225
    6    H    ALA   2           H        ALA   2 -15.840   8.198   0.432
    7    HA   ALA   2           HA       ALA   2 -15.124   6.742   2.840
    8    HB1  ALA   2           3HB      ALA   2 -17.173   6.483   0.641
    9    HB2  ALA   2           1HB      ALA   2 -16.774   5.070   1.649
   10    HB3  ALA   2           2HB      ALA   2 -17.408   6.551   2.404
   11    H    GLY   3           H        GLY   3 -14.504   6.832  -0.668
   12    HA2  GLY   3           1HA      GLY   3 -13.279   4.250  -0.794
   13    HA3  GLY   3           2HA      GLY   3 -13.241   5.516  -2.007
   14    H    HIS   4           H        HIS   4 -12.348   6.983   0.890
   15    HA   HIS   4           HA       HIS   4  -9.693   7.302   0.056
   16    HB2  HIS   4           1HB      HIS   4  -9.623   8.906   1.628
   17    HB3  HIS   4           2HB      HIS   4 -11.359   8.671   1.673
   18    HD1  HIS   4           HD1      HIS   4  -8.418   6.872   3.386
   19    HD2  HIS   4           HD2      HIS   4 -12.159   8.551   4.267
   20    HE1  HIS   4           HE1      HIS   4  -8.785   6.527   5.887
   21    H    GLY   5           H        GLY   5 -11.320   4.757   1.738
   22    HA2  GLY   5           1HA      GLY   5  -9.150   3.869   3.364
   23    HA3  GLY   5           2HA      GLY   5 -10.604   2.986   2.942
   24    H    GLN   6           H        GLN   6  -9.818   3.782  -0.054
   25    HA   GLN   6           HA       GLN   6  -8.573   1.295  -0.543
   26    HB2  GLN   6           1HB      GLN   6  -9.358   3.640  -2.312
   27    HB3  GLN   6           2HB      GLN   6  -8.546   2.230  -2.962
   28    HG2  GLN   6           1HG      GLN   6 -11.157   2.133  -1.378
   29    HG3  GLN   6           2HG      GLN   6 -11.063   2.110  -3.129
   30   HE21  GLN   6          2HE2      GLN   6 -11.139   0.289  -0.336
   31   HE22  GLN   6          1HE2      GLN   6 -10.637  -1.253  -0.948
   32    H    ILE   7           H        ILE   7  -7.475   4.564   0.060
   33    HA   ILE   7           HA       ILE   7  -4.985   4.294  -1.304
   34    HB   ILE   7           HB       ILE   7  -6.158   6.269   0.633
   35   HG12  ILE   7          1HG1      ILE   7  -5.179   6.713  -2.191
   36   HG13  ILE   7          2HG1      ILE   7  -6.799   6.137  -1.851
   37   HG21  ILE   7          1HG2      ILE   7  -3.812   6.123   1.222
   38   HG22  ILE   7          2HG2      ILE   7  -3.342   6.278  -0.488
   39   HG23  ILE   7          3HG2      ILE   7  -4.127   7.641   0.347
   40   HD11  ILE   7          3HD1      ILE   7  -5.774   8.838  -1.687
   41   HD12  ILE   7          1HD1      ILE   7  -7.448   8.270  -1.476
   42   HD13  ILE   7          2HD1      ILE   7  -6.346   8.334  -0.078
   43    H    SER   8           H        SER   8  -6.291   2.815   1.435
   44    HA   SER   8           HA       SER   8  -3.866   2.865   2.955
   45    HB2  SER   8           1HB      SER   8  -6.351   2.730   3.813
   46    HB3  SER   8           2HB      SER   8  -6.213   1.017   3.469
   47    HG   SER   8           HG       SER   8  -5.343   2.338   5.650
   48    H    HIS   9           H        HIS   9  -5.445   0.904   0.491
   49    HA   HIS   9           HA       HIS   9  -4.096  -1.507   1.086
   50    HB2  HIS   9           1HB      HIS   9  -4.979  -2.285  -1.017
   51    HB3  HIS   9           2HB      HIS   9  -6.219  -1.405  -0.147
   52    HD1  HIS   9           HD1      HIS   9  -7.611  -0.527  -2.066
   53    HD2  HIS   9           HD2      HIS   9  -3.525   0.308  -2.515
   54    HE1  HIS   9           HE1      HIS   9  -7.415   1.022  -4.085
   55    H    LYS  10           H        LYS  10  -3.060   1.510  -0.144
   56    HA   LYS  10           HA       LYS  10  -1.137   0.540  -2.002
   57    HB2  LYS  10           1HB      LYS  10  -1.729   3.190  -0.702
   58    HB3  LYS  10           2HB      LYS  10  -0.242   2.963  -1.601
   59    HG2  LYS  10           1HG      LYS  10  -1.541   2.232  -3.598
   60    HG3  LYS  10           2HG      LYS  10  -3.037   2.405  -2.702
   61    HD2  LYS  10           1HD      LYS  10  -2.910   4.448  -3.873
   62    HD3  LYS  10           2HD      LYS  10  -2.279   4.879  -2.296
   63    HE2  LYS  10           1HE      LYS  10  -0.027   3.938  -3.748
   64    HE3  LYS  10           2HE      LYS  10  -0.927   4.909  -4.895
   65    HZ1  LYS  10           2HZ      LYS  10   0.328   5.754  -2.389
   66    HZ3  LYS  10           1HZ      LYS  10  -1.023   6.544  -2.838
   67    H    ARG  11           H        ARG  11  -1.395   0.557   1.437
   68    HA   ARG  11           HA       ARG  11   1.270   0.959   2.079
   69    HB2  ARG  11           1HB      ARG  11  -1.154  -0.187   3.409
   70    HB3  ARG  11           2HB      ARG  11   0.376  -0.722   4.076
   71    HG2  ARG  11           1HG      ARG  11   0.224   1.212   5.304
   72    HG3  ARG  11           2HG      ARG  11   0.900   1.949   3.866
   73    HD2  ARG  11           1HD      ARG  11  -1.319   2.589   3.057
   74    HD3  ARG  11           2HD      ARG  11  -2.106   1.655   4.313
   75    HE   ARG  11           HE       ARG  11  -1.607   3.346   5.889
   76   HH11  ARG  11          2HH2      ARG  11   0.076   3.994   2.839
   77   HH12  ARG  11          1HH2      ARG  11   0.532   5.603   3.289
   78   HH22  ARG  11          1HH       ARG  11  -0.116   6.450   5.435
   79    H    HIS  12           H        HIS  12  -0.275  -1.575   0.361
   80    HA   HIS  12           HA       HIS  12   1.391  -3.696   1.301
   81    HB2  HIS  12           1HB      HIS  12  -0.647  -3.391  -0.897
   82    HB3  HIS  12           2HB      HIS  12   0.366  -4.818  -0.808
   83    HD1  HIS  12           HD1      HIS  12  -1.324  -2.955   2.085
   84    HD2  HIS  12           HD2      HIS  12  -1.349  -6.702   0.200
   85    HE1  HIS  12           HE1      HIS  12  -2.857  -4.446   3.477
   86    H    LYS  13           H        LYS  13   1.647  -1.064  -0.964
   87    HA   LYS  13           HA       LYS  13   3.425  -2.279  -2.783
   88    HB2  LYS  13           1HB      LYS  13   2.620   0.539  -2.115
   89    HB3  LYS  13           2HB      LYS  13   3.996   0.259  -3.163
   90    HG2  LYS  13           1HG      LYS  13   2.687  -0.836  -4.816
   91    HG3  LYS  13           2HG      LYS  13   1.397  -1.208  -3.692
   92    HD2  LYS  13           1HD      LYS  13   0.933   1.293  -3.508
   93    HD3  LYS  13           2HD      LYS  13   2.112   1.555  -4.776
   94    HE2  LYS  13           1HE      LYS  13   0.757  -0.043  -6.247
   95    HE3  LYS  13           2HE      LYS  13  -0.471  -0.058  -4.998
   96    HZ1  LYS  13           2HZ      LYS  13   0.370   2.222  -6.671
   97    HZ3  LYS  13           1HZ      LYS  13  -0.366   2.500  -5.245
   98    H    THR  14           H        THR  14   3.735  -1.062   0.490
   99    HA   THR  14           HA       THR  14   6.558  -0.597   0.333
  100    HB   THR  14           HB       THR  14   4.449  -0.750   2.531
  101    HG1  THR  14           HG1      THR  14   5.335   1.552   2.569
  102   HG21  THR  14          3HG2      THR  14   7.379   0.052   2.884
  103   HG22  THR  14          1HG2      THR  14   6.127  -0.058   4.145
  104   HG23  THR  14          2HG2      THR  14   6.755  -1.539   3.382
  105    H    ASP  15           H        ASP  15   4.483  -3.389   0.743
  106    HA   ASP  15           HA       ASP  15   6.400  -4.921   2.123
  107    HB2  ASP  15           1HB      ASP  15   3.857  -5.520   0.580
  108    HB3  ASP  15           2HB      ASP  15   4.873  -6.842   1.121
  109    HD2  ASP  15           HD2      ASP  15   4.299  -6.473   4.411
  110    H    SER  16           H        SER  16   5.676  -4.080  -1.248
  111    HA   SER  16           HA       SER  16   7.069  -6.264  -2.376
  112    HB2  SER  16           1HB      SER  16   5.221  -4.832  -3.459
  113    HB3  SER  16           2HB      SER  16   6.442  -3.601  -3.711
  114    HG   SER  16           HG       SER  16   6.360  -6.272  -4.806
  115    H    PHE  17           H        PHE  17   7.936  -3.179  -0.977
  116    HA   PHE  17           HA       PHE  17  10.349  -2.824  -2.442
  117    HB2  PHE  17           1HB      PHE  17   8.667  -1.431  -0.611
  118    HB3  PHE  17           2HB      PHE  17  10.147  -1.678   0.294
  119    HD1  PHE  17           HD1      PHE  17   9.471  -0.867  -3.294
  120    HD2  PHE  17           HD2      PHE  17  11.382   0.262   0.324
  121    HE1  PHE  17           HE1      PHE  17  10.510   1.100  -4.456
  122    HE2  PHE  17           HE2      PHE  17  12.421   2.230  -0.839
  123    HZ   PHE  17           HZ       PHE  17  11.973   2.625  -3.214
  124    H    VAL  18           H        VAL  18   9.342  -4.754   0.314
  125    HA   VAL  18           HA       VAL  18  11.858  -4.922   1.580
  126    HB   VAL  18           HB       VAL  18   9.544  -6.869   1.601
  127   HG11  VAL  18          1HG1      VAL  18  12.102  -6.723   3.034
  128   HG12  VAL  18          2HG1      VAL  18  10.693  -6.847   4.114
  129   HG13  VAL  18          3HG1      VAL  18  10.961  -8.078   2.856
  130   HG21  VAL  18          3HG2      VAL  18   9.247  -4.276   2.207
  131   HG22  VAL  18          1HG2      VAL  18   8.416  -5.571   3.102
  132   HG23  VAL  18          2HG2      VAL  18   9.900  -4.843   3.763
  133    H    GLY  19           H        GLY  19  10.338  -6.522  -1.203
  134    HA2  GLY  19           1HA      GLY  19  12.322  -8.630  -1.303
  135    HA3  GLY  19           2HA      GLY  19  11.016  -8.328  -2.431
  136    H    LEU  20           H        LEU  20  12.412  -5.327  -1.949
  137    HA   LEU  20           HA       LEU  20  13.896  -5.581  -4.431
  138    HB2  LEU  20           1HB      LEU  20  12.222  -3.642  -3.299
  139    HB3  LEU  20           2HB      LEU  20  13.825  -2.939  -3.257
  140    HG   LEU  20           HG       LEU  20  12.686  -2.286  -5.283
  141   HD11  LEU  20          1HD1      LEU  20  14.838  -4.309  -5.960
  142   HD12  LEU  20          2HD1      LEU  20  14.342  -2.901  -6.929
  143   HD13  LEU  20          3HD1      LEU  20  15.134  -2.663  -5.352
  144   HD21  LEU  20          3HD2      LEU  20  11.130  -3.692  -6.056
  145   HD22  LEU  20          1HD2      LEU  20  12.469  -4.467  -6.934
  146   HD23  LEU  20          2HD2      LEU  20  11.936  -5.122  -5.367
  147    H    MET  21           H        MET  21  14.378  -5.393  -0.967
  148    HA   MET  21           HA       MET  21  16.956  -4.290  -1.067
  149    HB2  MET  21           1HB      MET  21  15.392  -5.951   0.970
  150    HB3  MET  21           2HB      MET  21  17.032  -5.429   1.304
  151    HG2  MET  21           1HG      MET  21  15.338  -3.222   0.302
  152    HG3  MET  21           2HG      MET  21  14.701  -3.935   1.771
  153    HE1  MET  21           3HE      MET  21  15.387  -3.924   3.741
  154    HE2  MET  21           1HE      MET  21  17.097  -4.130   4.189
  155    HE3  MET  21           2HE      MET  21  16.304  -2.552   4.411
  Start of MODEL    8
    1    H1   ASP   1           H        ASP   1 -16.120  10.482   3.354
    2    HA   ASP   1           HA       ASP   1 -14.905   9.722   1.724
    3    HB2  ASP   1           1HB      ASP   1 -12.681   9.247   3.755
    4    HB3  ASP   1           2HB      ASP   1 -12.494   9.616   2.051
    5    HD2  ASP   1           HD2      ASP   1 -13.105  11.874   1.472
    6    H    ALA   2           H        ALA   2 -15.545   7.705   0.923
    7    HA   ALA   2           HA       ALA   2 -15.147   5.358   2.584
    8    HB1  ALA   2           3HB      ALA   2 -16.265   4.852  -0.042
    9    HB2  ALA   2           1HB      ALA   2 -17.024   4.670   1.558
   10    HB3  ALA   2           2HB      ALA   2 -17.086   6.237   0.716
   11    H    GLY   3           H        GLY   3 -14.037   6.852  -0.490
   12    HA2  GLY   3           1HA      GLY   3 -12.487   4.605  -1.319
   13    HA3  GLY   3           2HA      GLY   3 -12.426   6.239  -1.950
   14    H    HIS   4           H        HIS   4 -12.141   6.624   1.356
   15    HA   HIS   4           HA       HIS   4  -9.429   7.305   1.182
   16    HB2  HIS   4           1HB      HIS   4 -11.361   8.125   2.756
   17    HB3  HIS   4           2HB      HIS   4 -10.837   6.811   3.791
   18    HD1  HIS   4           HD1      HIS   4 -10.061   8.591   5.576
   19    HD2  HIS   4           HD2      HIS   4  -8.003   8.739   1.924
   20    HE1  HIS   4           HE1      HIS   4  -7.991  10.030   5.979
   21    H    GLY   5           H        GLY   5 -11.098   4.297   1.736
   22    HA2  GLY   5           1HA      GLY   5  -9.068   3.013   3.283
   23    HA3  GLY   5           2HA      GLY   5 -10.415   2.263   2.450
   24    H    GLN   6           H        GLN   6  -9.419   3.892  -0.086
   25    HA   GLN   6           HA       GLN   6  -7.927   1.715  -1.097
   26    HB2  GLN   6           1HB      GLN   6  -8.849   4.377  -2.223
   27    HB3  GLN   6           2HB      GLN   6  -7.770   3.347  -3.144
   28    HG2  GLN   6           1HG      GLN   6 -10.265   2.132  -1.939
   29    HG3  GLN   6           2HG      GLN   6 -10.419   3.112  -3.383
   30   HE21  GLN   6          2HE2      GLN   6  -9.050   0.232  -1.967
   31   HE22  GLN   6          1HE2      GLN   6  -8.656  -0.604  -3.432
   32    H    ILE   7           H        ILE   7  -7.181   4.749   0.477
   33    HA   ILE   7           HA       ILE   7  -4.629   5.149  -0.663
   34    HB   ILE   7           HB       ILE   7  -5.909   6.102   1.898
   35   HG12  ILE   7          1HG1      ILE   7  -6.926   6.801  -0.297
   36   HG13  ILE   7          2HG1      ILE   7  -6.394   8.110   0.743
   37   HG21  ILE   7          1HG2      ILE   7  -3.380   6.023   1.966
   38   HG22  ILE   7          2HG2      ILE   7  -3.393   7.213   0.642
   39   HG23  ILE   7          3HG2      ILE   7  -4.122   7.622   2.214
   40   HD11  ILE   7          3HD1      ILE   7  -4.313   7.111  -1.139
   41   HD12  ILE   7          1HD1      ILE   7  -5.721   7.882  -1.909
   42   HD13  ILE   7          2HD1      ILE   7  -4.756   8.782  -0.714
   43    H    SER   8           H        SER   8  -5.932   2.916   1.691
   44    HA   SER   8           HA       SER   8  -3.376   2.462   2.892
   45    HB2  SER   8           1HB      SER   8  -6.040   2.048   3.662
   46    HB3  SER   8           2HB      SER   8  -5.452   0.423   3.370
   47    HG   SER   8           HG       SER   8  -3.525   1.137   4.746
   48    H    HIS   9           H        HIS   9  -4.920   1.592  -0.007
   49    HA   HIS   9           HA       HIS   9  -3.875  -1.090  -0.103
   50    HB2  HIS   9           1HB      HIS   9  -5.945  -0.892  -1.157
   51    HB3  HIS   9           2HB      HIS   9  -5.541   0.637  -1.911
   52    HD1  HIS   9           HD1      HIS   9  -4.618  -3.064  -2.183
   53    HD2  HIS   9           HD2      HIS   9  -4.623   0.433  -4.496
   54    HE1  HIS   9           HE1      HIS   9  -3.984  -3.773  -4.550
   55    H    LYS  10           H        LYS  10  -2.618   2.028  -0.426
   56    HA   LYS  10           HA       LYS  10  -0.848   1.406  -2.622
   57    HB2  LYS  10           1HB      LYS  10  -0.256   3.647  -2.592
   58    HB3  LYS  10           2HB      LYS  10  -1.933   3.688  -2.085
   59    HG2  LYS  10           1HG      LYS  10  -1.103   4.973  -0.369
   60    HG3  LYS  10           2HG      LYS  10  -0.762   3.415   0.358
   61    HD2  LYS  10           1HD      LYS  10   1.369   4.270   0.514
   62    HD3  LYS  10           2HD      LYS  10   1.499   3.673  -1.128
   63    HE2  LYS  10           1HE      LYS  10   1.379   5.798  -2.070
   64    HE3  LYS  10           2HE      LYS  10   0.339   6.423  -0.806
   65    HZ1  LYS  10           2HZ      LYS  10   3.267   6.059  -0.708
   66    HZ3  LYS  10           1HZ      LYS  10   2.415   6.171   0.675
   67    H    ARG  11           H        ARG  11  -1.021   0.901   0.789
   68    HA   ARG  11           HA       ARG  11   1.763   1.056   1.238
   69    HB2  ARG  11           1HB      ARG  11   1.243   0.232   3.469
   70    HB3  ARG  11           2HB      ARG  11  -0.029   1.351   3.018
   71    HG2  ARG  11           1HG      ARG  11  -1.511  -0.302   3.493
   72    HG3  ARG  11           2HG      ARG  11  -0.965  -1.106   2.035
   73    HD2  ARG  11           1HD      ARG  11   0.023  -2.763   3.237
   74    HD3  ARG  11           2HD      ARG  11   0.943  -1.607   4.178
   75    HE   ARG  11           HE       ARG  11  -1.302  -3.038   5.128
   76   HH11  ARG  11          2HH2      ARG  11  -0.206   0.330   5.051
   77   HH12  ARG  11          1HH2      ARG  11  -1.054   0.770   6.496
   78   HH22  ARG  11          1HH       ARG  11  -2.350  -0.886   7.646
   79    H    HIS  12           H        HIS  12  -0.239  -1.143  -0.410
   80    HA   HIS  12           HA       HIS  12   1.025  -3.553   0.426
   81    HB2  HIS  12           1HB      HIS  12  -0.497  -4.613  -0.892
   82    HB3  HIS  12           2HB      HIS  12  -1.342  -3.098  -0.640
   83    HD1  HIS  12           HD1      HIS  12  -0.296  -1.224  -2.704
   84    HD2  HIS  12           HD2      HIS  12  -0.823  -5.309  -3.500
   85    HE1  HIS  12           HE1      HIS  12  -0.487  -1.440  -5.239
   86    H    LYS  13           H        LYS  13   1.502  -1.089  -2.108
   87    HA   LYS  13           HA       LYS  13   3.322  -2.668  -3.614
   88    HB2  LYS  13           1HB      LYS  13   3.729  -0.594  -4.841
   89    HB3  LYS  13           2HB      LYS  13   2.014  -0.889  -4.642
   90    HG2  LYS  13           1HG      LYS  13   1.716   0.994  -3.383
   91    HG3  LYS  13           2HG      LYS  13   3.133   0.674  -2.403
   92    HD2  LYS  13           1HD      LYS  13   3.676   2.681  -3.556
   93    HD3  LYS  13           2HD      LYS  13   4.537   1.439  -4.443
   94    HE2  LYS  13           1HE      LYS  13   2.977   1.461  -6.248
   95    HE3  LYS  13           2HE      LYS  13   1.729   2.230  -5.286
   96    HZ1  LYS  13           2HZ      LYS  13   2.497   4.198  -6.005
   97    HZ3  LYS  13           1HZ      LYS  13   3.688   3.487  -6.858
   98    H    THR  14           H        THR  14   3.495  -0.624  -0.742
   99    HA   THR  14           HA       THR  14   6.331  -0.239  -0.900
  100    HB   THR  14           HB       THR  14   5.984   0.882   1.235
  101    HG1  THR  14           HG1      THR  14   3.741   0.460   2.191
  102   HG21  THR  14          3HG2      THR  14   4.715   1.864  -0.855
  103   HG22  THR  14          1HG2      THR  14   3.258   1.195  -0.083
  104   HG23  THR  14          2HG2      THR  14   4.227   2.426   0.761
  105    H    ASP  15           H        ASP  15   4.179  -2.776   0.217
  106    HA   ASP  15           HA       ASP  15   5.994  -3.876   2.050
  107    HB2  ASP  15           1HB      ASP  15   3.540  -4.879   0.577
  108    HB3  ASP  15           2HB      ASP  15   4.501  -6.003   1.517
  109    HD2  ASP  15           HD2      ASP  15   3.863  -5.777   4.059
  110    H    SER  16           H        SER  16   5.498  -3.994  -1.459
  111    HA   SER  16           HA       SER  16   6.916  -6.404  -1.855
  112    HB2  SER  16           1HB      SER  16   5.166  -5.261  -3.399
  113    HB3  SER  16           2HB      SER  16   6.478  -4.227  -3.930
  114    HG   SER  16           HG       SER  16   5.916  -6.835  -4.636
  115    H    PHE  17           H        PHE  17   7.756  -3.058  -1.291
  116    HA   PHE  17           HA       PHE  17  10.260  -3.116  -2.637
  117    HB2  PHE  17           1HB      PHE  17   8.620  -1.377  -0.812
  118    HB3  PHE  17           2HB      PHE  17  10.350  -1.133  -0.666
  119    HD1  PHE  17           HD2      PHE  17  11.663  -0.505  -2.733
  120    HD2  PHE  17           HD1      PHE  17   7.421  -0.478  -2.633
  121    HE1  PHE  17           HE2      PHE  17  11.624   0.983  -4.755
  122    HE2  PHE  17           HE1      PHE  17   7.382   1.008  -4.655
  123    HZ   PHE  17           HZ       PHE  17   9.484   1.721  -5.692
  124    H    VAL  18           H        VAL  18   9.049  -4.207   0.479
  125    HA   VAL  18           HA       VAL  18  11.554  -4.084   1.824
  126    HB   VAL  18           HB       VAL  18   9.086  -5.724   2.429
  127   HG11  VAL  18          1HG1      VAL  18  10.056  -6.350   4.349
  128   HG12  VAL  18          2HG1      VAL  18  11.589  -5.810   3.622
  129   HG13  VAL  18          3HG1      VAL  18  10.667  -4.710   4.675
  130   HG21  VAL  18          3HG2      VAL  18   8.636  -3.270   2.139
  131   HG22  VAL  18          1HG2      VAL  18   8.295  -3.892   3.770
  132   HG23  VAL  18          2HG2      VAL  18   9.778  -2.958   3.467
  133    H    GLY  19           H        GLY  19   9.889  -6.365  -0.329
  134    HA2  GLY  19           1HA      GLY  19  11.684  -8.549   0.301
  135    HA3  GLY  19           2HA      GLY  19  10.401  -8.521  -0.892
  136    H    LEU  20           H        LEU  20  12.048  -5.652  -1.375
  137    HA   LEU  20           HA       LEU  20  13.491  -6.818  -3.608
  138    HB2  LEU  20           1HB      LEU  20  12.036  -4.433  -3.139
  139    HB3  LEU  20           2HB      LEU  20  13.699  -3.965  -3.429
  140    HG   LEU  20           HG       LEU  20  13.573  -5.475  -5.520
  141   HD11  LEU  20          1HD1      LEU  20  11.696  -6.720  -5.560
  142   HD12  LEU  20          2HD1      LEU  20  10.779  -5.574  -4.554
  143   HD13  LEU  20          3HD1      LEU  20  10.988  -5.260  -6.292
  144   HD21  LEU  20          3HD2      LEU  20  12.089  -3.542  -6.644
  145   HD22  LEU  20          1HD2      LEU  20  12.443  -2.764  -5.082
  146   HD23  LEU  20          2HD2      LEU  20  13.777  -3.307  -6.130
  147    H    MET  21           H        MET  21  14.008  -5.544  -0.384
  148    HA   MET  21           HA       MET  21  16.672  -4.758  -0.785
  149    HB2  MET  21           1HB      MET  21  14.790  -5.251   1.509
  150    HB3  MET  21           2HB      MET  21  16.494  -5.349   1.908
  151    HG2  MET  21           1HG      MET  21  16.514  -3.079   2.040
  152    HG3  MET  21           2HG      MET  21  16.309  -3.035   0.300
  153    HE1  MET  21           3HE      MET  21  15.305  -1.966   3.430
  154    HE2  MET  21           1HE      MET  21  14.933  -0.615   2.333
  155    HE3  MET  21           2HE      MET  21  13.638  -1.354   3.303
  Start of MODEL    9
    1    H1   ASP   1           H        ASP   1 -15.129   7.512   5.159
    2    HA   ASP   1           HA       ASP   1 -16.267   7.660   2.784
    3    HB2  ASP   1           1HB      ASP   1 -13.514   8.910   2.679
    4    HB3  ASP   1           2HB      ASP   1 -14.050   7.957   1.310
    5    HD2  ASP   1           HD2      ASP   1 -14.939  11.436   0.721
    6    H    ALA   2           H        ALA   2 -16.278   5.474   2.216
    7    HA   ALA   2           HA       ALA   2 -14.342   3.738   3.429
    8    HB1  ALA   2           3HB      ALA   2 -15.914   2.134   3.060
    9    HB2  ALA   2           1HB      ALA   2 -16.987   3.524   2.768
   10    HB3  ALA   2           2HB      ALA   2 -16.230   2.681   1.395
   11    H    GLY   3           H        GLY   3 -15.208   4.878   0.113
   12    HA2  GLY   3           1HA      GLY   3 -13.227   3.278  -1.182
   13    HA3  GLY   3           2HA      GLY   3 -14.161   4.591  -1.870
   14    H    HIS   4           H        HIS   4 -12.895   5.848   0.963
   15    HA   HIS   4           HA       HIS   4 -10.859   7.238  -0.526
   16    HB2  HIS   4           1HB      HIS   4 -12.233   8.623   0.802
   17    HB3  HIS   4           2HB      HIS   4 -12.107   7.571   2.198
   18    HD1  HIS   4           HD1      HIS   4 -10.211  10.226   0.301
   19    HD2  HIS   4           HD2      HIS   4  -9.812   7.940   3.794
   20    HE1  HIS   4           HE1      HIS   4  -8.287  11.263   1.618
   21    H    GLY   5           H        GLY   5 -11.032   4.304   1.066
   22    HA2  GLY   5           1HA      GLY   5  -8.497   4.452   2.464
   23    HA3  GLY   5           2HA      GLY   5  -9.555   3.066   2.301
   24    H    GLN   6           H        GLN   6  -9.676   3.781  -0.772
   25    HA   GLN   6           HA       GLN   6  -7.882   1.872  -1.574
   26    HB2  GLN   6           1HB      GLN   6  -8.279   2.823  -3.889
   27    HB3  GLN   6           2HB      GLN   6  -9.740   2.464  -2.990
   28    HG2  GLN   6           1HG      GLN   6 -10.341   4.599  -3.563
   29    HG3  GLN   6           2HG      GLN   6  -9.337   5.058  -2.202
   30   HE21  GLN   6          2HE2      GLN   6  -8.654   6.982  -2.970
   31   HE22  GLN   6          1HE2      GLN   6  -7.613   7.193  -4.337
   32    H    ILE   7           H        ILE   7  -7.416   5.282  -0.841
   33    HA   ILE   7           HA       ILE   7  -4.965   5.492  -2.318
   34    HB   ILE   7           HB       ILE   7  -6.751   7.297  -1.630
   35   HG12  ILE   7          1HG1      ILE   7  -4.051   8.446  -1.399
   36   HG13  ILE   7          2HG1      ILE   7  -4.233   7.332  -2.740
   37   HG21  ILE   7          1HG2      ILE   7  -6.218   8.572   0.311
   38   HG22  ILE   7          2HG2      ILE   7  -6.390   6.874   0.817
   39   HG23  ILE   7          3HG2      ILE   7  -4.770   7.589   0.637
   40   HD11  ILE   7          3HD1      ILE   7  -5.533   9.983  -2.281
   41   HD12  ILE   7          1HD1      ILE   7  -5.034   9.210  -3.803
   42   HD13  ILE   7          2HD1      ILE   7  -6.557   8.728  -3.020
   43    H    SER   8           H        SER   8  -6.000   4.200   0.732
   44    HA   SER   8           HA       SER   8  -3.453   4.610   1.970
   45    HB2  SER   8           1HB      SER   8  -6.113   3.498   2.757
   46    HB3  SER   8           2HB      SER   8  -4.732   2.803   3.582
   47    HG   SER   8           HG       SER   8  -5.213   4.551   4.838
   48    H    HIS   9           H        HIS   9  -4.207   2.824  -0.592
   49    HA   HIS   9           HA       HIS   9  -3.279   0.257   0.317
   50    HB2  HIS   9           1HB      HIS   9  -4.337   1.385  -2.252
   51    HB3  HIS   9           2HB      HIS   9  -3.409  -0.101  -2.299
   52    HD1  HIS   9           HD1      HIS   9  -5.699  -1.239  -3.108
   53    HD2  HIS   9           HD2      HIS   9  -5.663   0.188   0.836
   54    HE1  HIS   9           HE1      HIS   9  -7.696  -2.316  -1.941
   55    H    LYS  10           H        LYS  10  -1.905   3.244  -0.627
   56    HA   LYS  10           HA       LYS  10   0.312   2.306  -2.087
   57    HB2  LYS  10           1HB      LYS  10  -0.156   4.848  -0.505
   58    HB3  LYS  10           2HB      LYS  10   1.259   4.561  -1.498
   59    HG2  LYS  10           1HG      LYS  10   0.067   4.682  -3.499
   60    HG3  LYS  10           2HG      LYS  10  -1.413   4.071  -2.785
   61    HD2  LYS  10           1HD      LYS  10  -2.155   6.214  -2.689
   62    HD3  LYS  10           2HD      LYS  10  -0.974   6.500  -1.427
   63    HE2  LYS  10           1HE      LYS  10   0.555   6.647  -3.781
   64    HE3  LYS  10           2HE      LYS  10  -0.961   7.399  -4.239
   65    HZ1  LYS  10           2HZ      LYS  10   1.060   8.484  -2.621
   66    HZ3  LYS  10           1HZ      LYS  10  -0.273   8.354  -1.694
   67    H    ARG  11           H        ARG  11  -0.583   2.171   1.281
   68    HA   ARG  11           HA       ARG  11   2.026   2.129   2.297
   69    HB2  ARG  11           1HB      ARG  11   0.959   1.336   4.381
   70    HB3  ARG  11           2HB      ARG  11   0.001   2.626   3.680
   71    HG2  ARG  11           1HG      ARG  11  -1.765   1.197   3.862
   72    HG3  ARG  11           2HG      ARG  11  -1.101   0.390   2.455
   73    HD2  ARG  11           1HD      ARG  11  -1.054  -1.461   3.809
   74    HD3  ARG  11           2HD      ARG  11   0.423  -0.759   4.439
   75    HE   ARG  11           HE       ARG  11  -0.698  -0.503   6.460
   76   HH11  ARG  11          2HH2      ARG  11  -3.085  -0.242   3.854
   77   HH12  ARG  11          1HH2      ARG  11  -4.419  -0.002   4.932
   78   HH22  ARG  11          1HH       ARG  11  -4.027   0.027   7.297
   79    H    HIS  12           H        HIS  12   0.091  -0.142   0.525
   80    HA   HIS  12           HA       HIS  12   1.382  -2.462   1.637
   81    HB2  HIS  12           1HB      HIS  12  -0.666  -2.029  -0.542
   82    HB3  HIS  12           2HB      HIS  12   0.058  -3.597  -0.246
   83    HD1  HIS  12           HD1      HIS  12  -2.218  -1.034   1.370
   84    HD2  HIS  12           HD2      HIS  12  -0.904  -4.967   1.997
   85    HE1  HIS  12           HE1      HIS  12  -3.685  -1.990   3.226
   86    H    LYS  13           H        LYS  13   2.138  -0.018  -0.617
   87    HA   LYS  13           HA       LYS  13   3.506  -1.652  -2.510
   88    HB2  LYS  13           1HB      LYS  13   3.606   1.333  -1.978
   89    HB3  LYS  13           2HB      LYS  13   4.358   0.530  -3.342
   90    HG2  LYS  13           1HG      LYS  13   1.421   0.042  -2.812
   91    HG3  LYS  13           2HG      LYS  13   1.902   1.559  -3.543
   92    HD2  LYS  13           1HD      LYS  13   3.110   0.303  -5.345
   93    HD3  LYS  13           2HD      LYS  13   2.616  -1.212  -4.617
   94    HE2  LYS  13           1HE      LYS  13   0.373  -0.956  -5.251
   95    HE3  LYS  13           2HE      LYS  13   0.456   0.795  -5.252
   96    HZ1  LYS  13           2HZ      LYS  13   0.473   0.277  -7.505
   97    HZ3  LYS  13           1HZ      LYS  13   1.386  -1.061  -7.340
   98    H    THR  14           H        THR  14   4.179  -0.339   0.669
   99    HA   THR  14           HA       THR  14   7.029  -0.396   0.383
  100    HB   THR  14           HB       THR  14   6.888   0.028   2.869
  101    HG1  THR  14           HG1      THR  14   4.560   0.187   3.590
  102   HG21  THR  14          3HG2      THR  14   5.392   1.624   0.835
  103   HG22  THR  14          1HG2      THR  14   4.899   1.914   2.520
  104   HG23  THR  14          2HG2      THR  14   6.592   2.164   2.033
  105    H    ASP  15           H        ASP  15   4.514  -2.745   1.040
  106    HA   ASP  15           HA       ASP  15   6.196  -4.520   2.435
  107    HB2  ASP  15           1HB      ASP  15   3.513  -4.733   1.033
  108    HB3  ASP  15           2HB      ASP  15   4.305  -6.186   1.611
  109    HD2  ASP  15           HD2      ASP  15   1.845  -5.063   3.760
  110    H    SER  16           H        SER  16   5.463  -3.746  -0.950
  111    HA   SER  16           HA       SER  16   6.392  -6.200  -1.995
  112    HB2  SER  16           1HB      SER  16   4.800  -4.381  -3.043
  113    HB3  SER  16           2HB      SER  16   6.285  -3.604  -3.556
  114    HG   SER  16           HG       SER  16   5.005  -5.695  -4.708
  115    H    PHE  17           H        PHE  17   7.858  -3.246  -0.828
  116    HA   PHE  17           HA       PHE  17  10.220  -3.412  -2.404
  117    HB2  PHE  17           1HB      PHE  17   9.864  -1.257  -1.522
  118    HB3  PHE  17           2HB      PHE  17   9.040  -1.875  -0.104
  119    HD1  PHE  17           HD2      PHE  17  10.364  -2.690   1.836
  120    HD2  PHE  17           HD1      PHE  17  12.205  -0.788  -1.481
  121    HE1  PHE  17           HE2      PHE  17  12.424  -2.282   3.212
  122    HE2  PHE  17           HE1      PHE  17  14.263  -0.381  -0.106
  123    HZ   PHE  17           HZ       PHE  17  14.349  -1.133   2.225
  124    H    VAL  18           H        VAL  18   9.023  -4.985   0.495
  125    HA   VAL  18           HA       VAL  18  11.531  -5.524   1.677
  126    HB   VAL  18           HB       VAL  18   8.984  -7.124   1.931
  127   HG11  VAL  18          1HG1      VAL  18  11.547  -6.974   3.383
  128   HG12  VAL  18          2HG1      VAL  18  10.105  -6.914   4.424
  129   HG13  VAL  18          3HG1      VAL  18  10.341  -8.281   3.308
  130   HG21  VAL  18          3HG2      VAL  18   8.567  -5.509   3.904
  131   HG22  VAL  18          1HG2      VAL  18   9.690  -4.416   3.061
  132   HG23  VAL  18          2HG2      VAL  18   8.191  -4.944   2.259
  133    H    GLY  19           H        GLY  19   9.626  -6.967  -0.948
  134    HA2  GLY  19           1HA      GLY  19  11.185  -9.407  -0.987
  135    HA3  GLY  19           2HA      GLY  19   9.914  -8.925  -2.093
  136    H    LEU  20           H        LEU  20  11.842  -6.211  -1.837
  137    HA   LEU  20           HA       LEU  20  13.170  -6.875  -4.332
  138    HB2  LEU  20           1HB      LEU  20  12.047  -4.525  -3.109
  139    HB3  LEU  20           2HB      LEU  20  13.719  -4.223  -3.540
  140    HG   LEU  20           HG       LEU  20  12.859  -5.390  -5.833
  141   HD11  LEU  20          1HD1      LEU  20  10.458  -4.770  -4.380
  142   HD12  LEU  20          2HD1      LEU  20  10.557  -3.758  -5.840
  143   HD13  LEU  20          3HD1      LEU  20  10.651  -5.530  -5.979
  144   HD21  LEU  20          3HD2      LEU  20  12.285  -2.807  -6.397
  145   HD22  LEU  20          1HD2      LEU  20  13.196  -2.611  -4.881
  146   HD23  LEU  20          2HD2      LEU  20  13.935  -3.459  -6.260
  147    H    MET  21           H        MET  21  13.800  -6.564  -0.899
  148    HA   MET  21           HA       MET  21  16.545  -5.990  -1.172
  149    HB2  MET  21           1HB      MET  21  14.581  -6.648   0.974
  150    HB3  MET  21           2HB      MET  21  16.196  -7.232   1.320
  151    HG2  MET  21           1HG      MET  21  17.063  -4.879   0.776
  152    HG3  MET  21           2HG      MET  21  15.393  -4.353   0.687
  153    HE1  MET  21           3HE      MET  21  14.115  -6.041   3.817
  154    HE2  MET  21           1HE      MET  21  13.873  -4.280   3.738
  155    HE3  MET  21           2HE      MET  21  13.754  -5.262   2.258
  Start of MODEL   10
    1    H1   ASP   1           H        ASP   1 -16.388   9.975   2.845
    2    HA   ASP   1           HA       ASP   1 -17.871   8.035   1.857
    3    HB2  ASP   1           1HB      ASP   1 -16.453   9.040  -0.343
    4    HB3  ASP   1           2HB      ASP   1 -15.508   7.640   0.121
    5    HD2  ASP   1           HD2      ASP   1 -17.048   7.713  -2.324
    6    H    ALA   2           H        ALA   2 -16.926   5.852   2.379
    7    HA   ALA   2           HA       ALA   2 -14.714   6.129   4.240
    8    HB1  ALA   2           3HB      ALA   2 -16.095   4.750   5.365
    9    HB2  ALA   2           1HB      ALA   2 -17.078   4.438   3.914
   10    HB3  ALA   2           2HB      ALA   2 -15.612   3.475   4.221
   11    H    GLY   3           H        GLY   3 -15.154   5.525   0.943
   12    HA2  GLY   3           1HA      GLY   3 -13.329   3.366   0.569
   13    HA3  GLY   3           2HA      GLY   3 -13.949   4.466  -0.647
   14    H    HIS   4           H        HIS   4 -12.792   6.438   1.809
   15    HA   HIS   4           HA       HIS   4 -10.591   7.263   0.268
   16    HB2  HIS   4           1HB      HIS   4 -12.138   8.490   2.044
   17    HB3  HIS   4           2HB      HIS   4 -10.876   8.003   3.156
   18    HD1  HIS   4           HD1      HIS   4 -10.783   9.522  -0.379
   19    HD2  HIS   4           HD2      HIS   4  -9.149  10.082   3.443
   20    HE1  HIS   4           HE1      HIS   4  -9.205  11.518  -0.562
   21    H    GLY   5           H        GLY   5 -11.058   4.707   2.554
   22    HA2  GLY   5           1HA      GLY   5  -8.385   4.623   3.586
   23    HA3  GLY   5           2HA      GLY   5  -9.631   3.400   3.732
   24    H    GLN   6           H        GLN   6  -9.924   3.709   0.583
   25    HA   GLN   6           HA       GLN   6  -8.393   1.460   0.008
   26    HB2  GLN   6           1HB      GLN   6  -9.815   3.479  -1.774
   27    HB3  GLN   6           2HB      GLN   6  -9.039   2.042  -2.410
   28    HG2  GLN   6           1HG      GLN   6 -11.012   1.770  -0.127
   29    HG3  GLN   6           2HG      GLN   6 -11.615   1.994  -1.758
   30   HE21  GLN   6          2HE2      GLN   6  -9.781  -0.050   0.400
   31   HE22  GLN   6          1HE2      GLN   6  -9.809  -1.500  -0.547
   32    H    ILE   7           H        ILE   7  -7.595   4.832   0.179
   33    HA   ILE   7           HA       ILE   7  -5.566   4.877  -1.782
   34    HB   ILE   7           HB       ILE   7  -6.883   6.761  -0.485
   35   HG12  ILE   7          1HG1      ILE   7  -4.042   7.455  -1.115
   36   HG13  ILE   7          2HG1      ILE   7  -5.020   6.757  -2.390
   37   HG21  ILE   7          1HG2      ILE   7  -5.986   6.222   1.722
   38   HG22  ILE   7          2HG2      ILE   7  -4.331   6.516   1.134
   39   HG23  ILE   7          3HG2      ILE   7  -5.500   7.857   1.211
   40   HD11  ILE   7          3HD1      ILE   7  -6.055   9.074  -0.717
   41   HD12  ILE   7          1HD1      ILE   7  -5.037   9.340  -2.153
   42   HD13  ILE   7          2HD1      ILE   7  -6.614   8.530  -2.316
   43    H    SER   8           H        SER   8  -5.831   3.505   1.418
   44    HA   SER   8           HA       SER   8  -3.129   3.643   2.097
   45    HB2  SER   8           1HB      SER   8  -5.419   1.842   2.957
   46    HB3  SER   8           2HB      SER   8  -3.806   1.628   3.607
   47    HG   SER   8           HG       SER   8  -5.339   4.087   3.721
   48    H    HIS   9           H        HIS   9  -4.902   1.767  -0.232
   49    HA   HIS   9           HA       HIS   9  -3.303  -0.547  -0.202
   50    HB2  HIS   9           1HB      HIS   9  -5.504  -0.616  -1.142
   51    HB3  HIS   9           2HB      HIS   9  -5.140   0.675  -2.269
   52    HD1  HIS   9           HD1      HIS   9  -4.713  -0.139  -4.583
   53    HD2  HIS   9           HD2      HIS   9  -3.587  -2.967  -1.697
   54    HE1  HIS   9           HE1      HIS   9  -3.879  -2.178  -5.869
   55    H    LYS  10           H        LYS  10  -2.704   2.704  -1.166
   56    HA   LYS  10           HA       LYS  10  -0.934   2.132  -3.316
   57    HB2  LYS  10           1HB      LYS  10  -0.634   4.421  -3.451
   58    HB3  LYS  10           2HB      LYS  10  -2.245   4.302  -2.775
   59    HG2  LYS  10           1HG      LYS  10  -1.195   4.509  -0.452
   60    HG3  LYS  10           2HG      LYS  10   0.338   4.834  -1.237
   61    HD2  LYS  10           1HD      LYS  10  -1.887   6.492  -2.285
   62    HD3  LYS  10           2HD      LYS  10  -1.581   6.748  -0.579
   63    HE2  LYS  10           1HE      LYS  10   0.996   6.658  -1.742
   64    HE3  LYS  10           2HE      LYS  10   0.034   7.559  -2.896
   65    HZ1  LYS  10           2HZ      LYS  10   0.865   9.092  -1.275
   66    HZ3  LYS  10           1HZ      LYS  10   0.358   8.192  -0.015
   67    H    ARG  11           H        ARG  11  -0.775   1.825   0.125
   68    HA   ARG  11           HA       ARG  11   2.015   2.293   0.289
   69    HB2  ARG  11           1HB      ARG  11  -0.142   1.283   2.158
   70    HB3  ARG  11           2HB      ARG  11   1.530   0.997   2.596
   71    HG2  ARG  11           1HG      ARG  11   2.003   3.268   2.878
   72    HG3  ARG  11           2HG      ARG  11   0.811   3.778   1.699
   73    HD2  ARG  11           1HD      ARG  11  -0.396   4.366   3.571
   74    HD3  ARG  11           2HD      ARG  11  -0.864   2.677   3.550
   75    HE   ARG  11           HE       ARG  11   1.039   3.951   5.410
   76   HH11  ARG  11          2HH2      ARG  11  -0.242   0.902   4.139
   77   HH12  ARG  11          1HH2      ARG  11   0.287  -0.031   5.499
   78   HH22  ARG  11          1HH       ARG  11   1.449   1.059   7.290
   79    H    HIS  12           H        HIS  12   0.329  -0.063  -1.271
   80    HA   HIS  12           HA       HIS  12   1.421  -2.436  -0.259
   81    HB2  HIS  12           1HB      HIS  12   0.510  -3.476  -2.175
   82    HB3  HIS  12           2HB      HIS  12  -0.602  -2.199  -1.726
   83    HD1  HIS  12           HD1      HIS  12   0.089   0.228  -3.134
   84    HD2  HIS  12           HD2      HIS  12   0.923  -3.502  -4.862
   85    HE1  HIS  12           HE1      HIS  12   0.338   0.641  -5.639
   86    H    LYS  13           H        LYS  13   2.672   0.135  -2.322
   87    HA   LYS  13           HA       LYS  13   4.643  -1.300  -3.667
   88    HB2  LYS  13           1HB      LYS  13   5.535   0.796  -4.252
   89    HB3  LYS  13           2HB      LYS  13   3.808   1.055  -4.107
   90    HG2  LYS  13           1HG      LYS  13   4.620   1.565  -1.518
   91    HG3  LYS  13           2HG      LYS  13   6.030   2.099  -2.413
   92    HD2  LYS  13           1HD      LYS  13   3.247   2.969  -3.266
   93    HD3  LYS  13           2HD      LYS  13   4.081   3.809  -1.975
   94    HE2  LYS  13           1HE      LYS  13   5.498   3.321  -4.614
   95    HE3  LYS  13           2HE      LYS  13   4.359   4.645  -4.470
   96    HZ1  LYS  13           2HZ      LYS  13   6.018   4.751  -2.226
   97    HZ3  LYS  13           1HZ      LYS  13   5.981   5.805  -3.467
   98    H    THR  14           H        THR  14   4.303  -0.385  -0.305
   99    HA   THR  14           HA       THR  14   7.104  -0.501   0.291
  100    HB   THR  14           HB       THR  14   4.999   0.686   1.481
  101    HG1  THR  14           HG1      THR  14   7.257  -0.733   2.708
  102   HG21  THR  14          3HG2      THR  14   5.392  -1.848   3.142
  103   HG22  THR  14          1HG2      THR  14   4.240  -0.523   3.435
  104   HG23  THR  14          2HG2      THR  14   3.993  -1.630   2.063
  105    H    ASP  15           H        ASP  15   4.510  -2.825  -0.125
  106    HA   ASP  15           HA       ASP  15   5.703  -4.805   1.482
  107    HB2  ASP  15           1HB      ASP  15   3.592  -4.814  -0.707
  108    HB3  ASP  15           2HB      ASP  15   4.140  -6.316   0.012
  109    HD2  ASP  15           HD2      ASP  15   1.438  -5.806   2.098
  110    H    SER  16           H        SER  16   6.012  -3.621  -1.848
  111    HA   SER  16           HA       SER  16   7.214  -5.969  -2.859
  112    HB2  SER  16           1HB      SER  16   6.650  -3.198  -3.828
  113    HB3  SER  16           2HB      SER  16   7.997  -4.010  -4.604
  114    HG   SER  16           HG       SER  16   5.223  -4.638  -4.656
  115    H    PHE  17           H        PHE  17   8.258  -3.232  -0.954
  116    HA   PHE  17           HA       PHE  17  10.982  -3.284  -1.773
  117    HB2  PHE  17           1HB      PHE  17  10.373  -1.242  -0.768
  118    HB3  PHE  17           2HB      PHE  17   9.168  -2.000   0.253
  119    HD1  PHE  17           HD1      PHE  17  12.878  -1.818  -0.125
  120    HD2  PHE  17           HD2      PHE  17   9.576  -2.136   2.522
  121    HE1  PHE  17           HE1      PHE  17  14.435  -1.652   1.837
  122    HE2  PHE  17           HE2      PHE  17  11.133  -1.971   4.483
  123    HZ   PHE  17           HZ       PHE  17  13.543  -1.731   4.118
  124    H    VAL  18           H        VAL  18   8.984  -5.135   0.448
  125    HA   VAL  18           HA       VAL  18  11.041  -5.911   2.219
  126    HB   VAL  18           HB       VAL  18   8.513  -7.412   1.536
  127   HG11  VAL  18          1HG1      VAL  18   9.904  -8.696   2.978
  128   HG12  VAL  18          2HG1      VAL  18  10.293  -7.280   3.984
  129   HG13  VAL  18          3HG1      VAL  18   8.650  -7.966   4.010
  130   HG21  VAL  18          3HG2      VAL  18   8.194  -5.718   3.832
  131   HG22  VAL  18          1HG2      VAL  18   8.716  -4.728   2.448
  132   HG23  VAL  18          2HG2      VAL  18   7.260  -5.743   2.317
  133    H    GLY  19           H        GLY  19   9.965  -6.965  -0.995
  134    HA2  GLY  19           1HA      GLY  19  11.469  -9.440  -0.880
  135    HA3  GLY  19           2HA      GLY  19  10.551  -8.800  -2.230
  136    H    LEU  20           H        LEU  20  12.343  -6.200  -1.123
  137    HA   LEU  20           HA       LEU  20  14.296  -6.606  -3.231
  138    HB2  LEU  20           1HB      LEU  20  12.859  -4.398  -2.136
  139    HB3  LEU  20           2HB      LEU  20  14.572  -4.091  -1.930
  140    HG   LEU  20           HG       LEU  20  14.803  -4.683  -4.429
  141   HD11  LEU  20          1HD1      LEU  20  13.019  -5.117  -5.689
  142   HD12  LEU  20          2HD1      LEU  20  12.120  -5.334  -4.168
  143   HD13  LEU  20          3HD1      LEU  20  12.097  -3.760  -4.999
  144   HD21  LEU  20          3HD2      LEU  20  13.387  -2.233  -4.662
  145   HD22  LEU  20          1HD2      LEU  20  14.155  -2.260  -3.056
  146   HD23  LEU  20          2HD2      LEU  20  15.142  -2.496  -4.518
  147    H    MET  21           H        MET  21  13.969  -6.747   0.254
  148    HA   MET  21           HA       MET  21  16.664  -6.218   0.837
  149    HB2  MET  21           1HB      MET  21  14.231  -6.717   2.235
  150    HB3  MET  21           2HB      MET  21  15.292  -8.021   2.727
  151    HG2  MET  21           1HG      MET  21  16.894  -6.547   3.670
  152    HG3  MET  21           2HG      MET  21  16.353  -5.181   2.715
  153    HE1  MET  21           3HE      MET  21  15.948  -4.502   6.460
  154    HE2  MET  21           1HE      MET  21  15.960  -6.276   6.610
  155    HE3  MET  21           2HE      MET  21  17.112  -5.465   5.520
  Start of MODEL   11
    1    H1   ASP   1           H        ASP   1 -17.729   5.294   2.822
    2    HA   ASP   1           HA       ASP   1 -16.372   7.407   4.199
    3    HB2  ASP   1           1HB      ASP   1 -18.239   5.244   4.843
    4    HB3  ASP   1           2HB      ASP   1 -16.904   5.253   5.980
    5    HD2  ASP   1           HD2      ASP   1 -19.940   6.734   5.595
    6    H    ALA   2           H        ALA   2 -16.103   3.817   3.669
    7    HA   ALA   2           HA       ALA   2 -13.457   3.819   4.864
    8    HB1  ALA   2           3HB      ALA   2 -13.652   1.405   4.715
    9    HB2  ALA   2           1HB      ALA   2 -15.181   2.054   5.357
   10    HB3  ALA   2           2HB      ALA   2 -15.076   1.542   3.655
   11    H    GLY   3           H        GLY   3 -14.851   4.539   1.872
   12    HA2  GLY   3           1HA      GLY   3 -13.032   3.214   0.122
   13    HA3  GLY   3           2HA      GLY   3 -14.110   4.541  -0.261
   14    H    HIS   4           H        HIS   4 -12.443   5.534   2.474
   15    HA   HIS   4           HA       HIS   4 -10.789   7.257   0.892
   16    HB2  HIS   4           1HB      HIS   4 -12.105   7.463   3.322
   17    HB3  HIS   4           2HB      HIS   4 -10.426   7.324   3.803
   18    HD1  HIS   4           HD1      HIS   4 -10.853   9.894   4.610
   19    HD2  HIS   4           HD2      HIS   4 -10.732   9.214   0.473
   20    HE1  HIS   4           HE1      HIS   4 -10.488  12.172   3.522
   21    H    GLY   5           H        GLY   5 -10.515   4.132   2.301
   22    HA2  GLY   5           1HA      GLY   5  -7.697   4.273   2.908
   23    HA3  GLY   5           2HA      GLY   5  -8.734   2.861   2.936
   24    H    GLN   6           H        GLN   6  -9.686   3.824   0.065
   25    HA   GLN   6           HA       GLN   6  -8.086   2.043  -1.320
   26    HB2  GLN   6           1HB      GLN   6 -10.440   3.545  -1.793
   27    HB3  GLN   6           2HB      GLN   6  -9.335   4.029  -3.064
   28    HG2  GLN   6           1HG      GLN   6  -8.909   1.585  -3.567
   29    HG3  GLN   6           2HG      GLN   6 -10.109   1.158  -2.364
   30   HE21  GLN   6          2HE2      GLN   6 -12.290   1.944  -2.633
   31   HE22  GLN   6          1HE2      GLN   6 -12.949   2.179  -4.217
   32    H    ILE   7           H        ILE   7  -7.563   5.349  -0.390
   33    HA   ILE   7           HA       ILE   7  -5.773   5.945  -2.559
   34    HB   ILE   7           HB       ILE   7  -6.525   7.374  -0.013
   35   HG12  ILE   7          1HG1      ILE   7  -7.054   8.456  -2.740
   36   HG13  ILE   7          2HG1      ILE   7  -8.019   7.085  -2.227
   37   HG21  ILE   7          1HG2      ILE   7  -4.271   8.009  -0.420
   38   HG22  ILE   7          2HG2      ILE   7  -4.561   8.181  -2.167
   39   HG23  ILE   7          3HG2      ILE   7  -5.303   9.327  -1.025
   40   HD11  ILE   7          3HD1      ILE   7  -9.312   8.810  -1.362
   41   HD12  ILE   7          1HD1      ILE   7  -8.242   8.523   0.031
   42   HD13  ILE   7          2HD1      ILE   7  -7.905   9.866  -1.087
   43    H    SER   8           H        SER   8  -5.665   4.168   0.395
   44    HA   SER   8           HA       SER   8  -2.892   4.704   0.850
   45    HB2  SER   8           1HB      SER   8  -5.099   3.502   2.304
   46    HB3  SER   8           2HB      SER   8  -3.740   2.397   2.310
   47    HG   SER   8           HG       SER   8  -4.062   4.806   3.650
   48    H    HIS   9           H        HIS   9  -4.299   3.220  -1.629
   49    HA   HIS   9           HA       HIS   9  -3.156   0.628  -1.540
   50    HB2  HIS   9           1HB      HIS   9  -4.245   0.271  -3.501
   51    HB3  HIS   9           2HB      HIS   9  -5.178   1.632  -2.913
   52    HD1  HIS   9           HD1      HIS   9  -4.168   0.577  -5.986
   53    HD2  HIS   9           HD2      HIS   9  -3.356   4.138  -3.922
   54    HE1  HIS   9           HE1      HIS   9  -3.537   2.303  -7.758
   55    H    LYS  10           H        LYS  10  -1.969   3.830  -2.204
   56    HA   LYS  10           HA       LYS  10   0.146   2.972  -3.937
   57    HB2  LYS  10           1HB      LYS  10  -1.104   5.323  -3.626
   58    HB3  LYS  10           2HB      LYS  10   0.229   5.598  -2.522
   59    HG2  LYS  10           1HG      LYS  10   1.692   5.878  -4.237
   60    HG3  LYS  10           2HG      LYS  10   1.224   4.354  -4.965
   61    HD2  LYS  10           1HD      LYS  10  -0.786   5.481  -5.979
   62    HD3  LYS  10           2HD      LYS  10  -0.261   7.005  -5.290
   63    HE2  LYS  10           1HE      LYS  10   1.890   6.833  -6.577
   64    HE3  LYS  10           2HE      LYS  10   1.339   5.326  -7.283
   65    HZ1  LYS  10           2HZ      LYS  10   0.819   7.105  -8.790
   66    HZ3  LYS  10           1HZ      LYS  10   0.071   7.987  -7.643
   67    H    ARG  11           H        ARG  11  -0.489   3.018  -0.516
   68    HA   ARG  11           HA       ARG  11   2.257   3.176   0.195
   69    HB2  ARG  11           1HB      ARG  11  -0.362   2.795   1.641
   70    HB3  ARG  11           2HB      ARG  11   1.090   2.264   2.468
   71    HG2  ARG  11           1HG      ARG  11   0.868   4.519   3.158
   72    HG3  ARG  11           2HG      ARG  11   2.074   4.604   1.889
   73    HD2  ARG  11           1HD      ARG  11   0.746   5.941   0.615
   74    HD3  ARG  11           2HD      ARG  11  -0.591   4.812   0.718
   75    HE   ARG  11           HE       ARG  11  -0.432   6.117   3.231
   76   HH11  ARG  11          2HH2      ARG  11  -1.110   6.981  -0.138
   77   HH12  ARG  11          1HH2      ARG  11  -2.134   8.313   0.280
   78   HH22  ARG  11          1HH       ARG  11  -2.515   8.821   2.591
   79    H    HIS  12           H        HIS  12   0.663   0.875  -1.468
   80    HA   HIS  12           HA       HIS  12   1.418  -1.417   0.104
   81    HB2  HIS  12           1HB      HIS  12   0.076  -1.062  -2.582
   82    HB3  HIS  12           2HB      HIS  12   0.538  -2.636  -1.963
   83    HD1  HIS  12           HD1      HIS  12  -0.845   0.028   0.343
   84    HD2  HIS  12           HD2      HIS  12  -2.115  -3.473  -1.589
   85    HE1  HIS  12           HE1      HIS  12  -3.115  -0.562   1.351
   86    H    LYS  13           H        LYS  13   2.902   0.756  -2.096
   87    HA   LYS  13           HA       LYS  13   4.549  -1.039  -3.499
   88    HB2  LYS  13           1HB      LYS  13   5.732   0.902  -4.219
   89    HB3  LYS  13           2HB      LYS  13   4.031   1.317  -4.154
   90    HG2  LYS  13           1HG      LYS  13   4.292   2.559  -2.113
   91    HG3  LYS  13           2HG      LYS  13   5.864   1.856  -1.787
   92    HD2  LYS  13           1HD      LYS  13   6.799   3.017  -3.802
   93    HD3  LYS  13           2HD      LYS  13   5.228   3.724  -4.121
   94    HE2  LYS  13           1HE      LYS  13   5.579   5.378  -2.601
   95    HE3  LYS  13           2HE      LYS  13   5.974   4.222  -1.345
   96    HZ1  LYS  13           2HZ      LYS  13   7.869   5.240  -3.396
   97    HZ3  LYS  13           1HZ      LYS  13   8.247   4.105  -2.292
   98    H    THR  14           H        THR  14   4.535   0.170  -0.209
   99    HA   THR  14           HA       THR  14   7.325  -0.292   0.255
  100    HB   THR  14           HB       THR  14   6.548   0.102   2.654
  101    HG1  THR  14           HG1      THR  14   4.270   0.385   2.879
  102   HG21  THR  14          3HG2      THR  14   6.146   1.959   0.372
  103   HG22  THR  14          1HG2      THR  14   5.114   2.330   1.774
  104   HG23  THR  14          2HG2      THR  14   6.883   2.271   1.962
  105    H    ASP  15           H        ASP  15   4.423  -2.257   0.158
  106    HA   ASP  15           HA       ASP  15   5.425  -4.252   1.874
  107    HB2  ASP  15           1HB      ASP  15   3.194  -4.085  -0.177
  108    HB3  ASP  15           2HB      ASP  15   3.598  -5.632   0.539
  109    HD2  ASP  15           HD2      ASP  15   1.422  -2.934   2.309
  110    H    SER  16           H        SER  16   5.704  -3.388  -1.557
  111    HA   SER  16           HA       SER  16   6.524  -5.952  -2.414
  112    HB2  SER  16           1HB      SER  16   6.029  -3.320  -3.587
  113    HB3  SER  16           2HB      SER  16   7.497  -4.016  -4.242
  114    HG   SER  16           HG       SER  16   6.327  -5.889  -4.885
  115    H    PHE  17           H        PHE  17   8.030  -3.235  -0.809
  116    HA   PHE  17           HA       PHE  17  10.672  -3.732  -1.737
  117    HB2  PHE  17           1HB      PHE  17   9.162  -2.048   0.245
  118    HB3  PHE  17           2HB      PHE  17  10.822  -2.375   0.705
  119    HD1  PHE  17           HD1      PHE  17  12.644  -1.832  -1.049
  120    HD2  PHE  17           HD2      PHE  17   8.683  -0.320  -1.241
  121    HE1  PHE  17           HE1      PHE  17  13.424   0.021  -2.553
  122    HE2  PHE  17           HE2      PHE  17   9.464   1.533  -2.746
  123    HZ   PHE  17           HZ       PHE  17  11.825   1.681  -3.383
  124    H    VAL  18           H        VAL  18   8.568  -5.117   0.708
  125    HA   VAL  18           HA       VAL  18  10.575  -6.003   2.476
  126    HB   VAL  18           HB       VAL  18   7.895  -7.291   1.982
  127   HG11  VAL  18          1HG1      VAL  18   8.338  -7.130   4.705
  128   HG12  VAL  18          2HG1      VAL  18   8.632  -8.558   3.683
  129   HG13  VAL  18          3HG1      VAL  18   9.966  -7.441   4.055
  130   HG21  VAL  18          3HG2      VAL  18   7.234  -5.062   2.130
  131   HG22  VAL  18          1HG2      VAL  18   7.153  -5.604   3.823
  132   HG23  VAL  18          2HG2      VAL  18   8.542  -4.642   3.263
  133    H    GLY  19           H        GLY  19   9.297  -7.161  -0.624
  134    HA2  GLY  19           1HA      GLY  19  10.505  -9.781  -0.347
  135    HA3  GLY  19           2HA      GLY  19   9.637  -9.137  -1.727
  136    H    LEU  20           H        LEU  20  11.743  -6.691  -0.853
  137    HA   LEU  20           HA       LEU  20  13.587  -7.484  -2.950
  138    HB2  LEU  20           1HB      LEU  20  12.557  -4.995  -1.833
  139    HB3  LEU  20           2HB      LEU  20  14.298  -4.965  -2.037
  140    HG   LEU  20           HG       LEU  20  13.370  -6.041  -4.439
  141   HD11  LEU  20          1HD1      LEU  20  11.744  -3.577  -4.201
  142   HD12  LEU  20          2HD1      LEU  20  11.451  -5.073  -5.121
  143   HD13  LEU  20          3HD1      LEU  20  11.110  -5.021  -3.375
  144   HD21  LEU  20          3HD2      LEU  20  15.196  -4.609  -4.506
  145   HD22  LEU  20          1HD2      LEU  20  13.906  -3.649  -5.271
  146   HD23  LEU  20          2HD2      LEU  20  14.365  -3.335  -3.581
  147    H    MET  21           H        MET  21  13.329  -7.306   0.541
  148    HA   MET  21           HA       MET  21  16.097  -7.086   1.017
  149    HB2  MET  21           1HB      MET  21  14.280  -6.496   2.668
  150    HB3  MET  21           2HB      MET  21  13.816  -8.184   2.755
  151    HG2  MET  21           1HG      MET  21  15.228  -8.062   4.610
  152    HG3  MET  21           2HG      MET  21  16.383  -8.554   3.389
  153    HE1  MET  21           3HE      MET  21  18.252  -7.670   2.926
  154    HE2  MET  21           1HE      MET  21  18.904  -6.043   3.238
  155    HE3  MET  21           2HE      MET  21  18.740  -7.209   4.574
  Start of MODEL   12
    1    H1   ASP   1           H        ASP   1 -16.298   7.293  -1.262
    2    HA   ASP   1           HA       ASP   1 -15.963   9.929  -0.282
    3    HB2  ASP   1           1HB      ASP   1 -18.532   8.563   0.051
    4    HB3  ASP   1           2HB      ASP   1 -17.790   8.848   1.612
    5    HD2  ASP   1           HD2      ASP   1 -18.377  10.554  -1.328
    6    H    ALA   2           H        ALA   2 -16.707   6.462   0.532
    7    HA   ALA   2           HA       ALA   2 -14.849   6.563   2.760
    8    HB1  ALA   2           3HB      ALA   2 -16.958   5.453   3.150
    9    HB2  ALA   2           1HB      ALA   2 -16.763   4.456   1.689
   10    HB3  ALA   2           2HB      ALA   2 -15.693   4.203   3.088
   11    H    GLY   3           H        GLY   3 -14.717   6.147  -0.590
   12    HA2  GLY   3           1HA      GLY   3 -12.919   3.940  -0.764
   13    HA3  GLY   3           2HA      GLY   3 -13.283   5.124  -2.004
   14    H    HIS   4           H        HIS   4 -12.520   6.920   0.726
   15    HA   HIS   4           HA       HIS   4  -9.965   7.581  -0.355
   16    HB2  HIS   4           1HB      HIS   4 -11.374   9.343   0.460
   17    HB3  HIS   4           2HB      HIS   4 -11.544   8.576   2.025
   18    HD1  HIS   4           HD1      HIS   4 -10.141   9.646   3.779
   19    HD2  HIS   4           HD2      HIS   4  -8.368   9.902  -0.014
   20    HE1  HIS   4           HE1      HIS   4  -7.963  10.938   4.094
   21    H    GLY   5           H        GLY   5 -11.226   5.373   2.034
   22    HA2  GLY   5           1HA      GLY   5  -8.897   5.241   3.687
   23    HA3  GLY   5           2HA      GLY   5 -10.247   4.123   3.645
   24    H    GLN   6           H        GLN   6  -9.748   4.038   0.512
   25    HA   GLN   6           HA       GLN   6  -8.315   1.653   0.594
   26    HB2  GLN   6           1HB      GLN   6  -9.871   3.106  -1.287
   27    HB3  GLN   6           2HB      GLN   6  -8.311   2.882  -2.052
   28    HG2  GLN   6           1HG      GLN   6  -8.430   0.423  -1.531
   29    HG3  GLN   6           2HG      GLN   6 -10.012   0.664  -0.818
   30   HE21  GLN   6          2HE2      GLN   6 -11.770   1.269  -2.106
   31   HE22  GLN   6          1HE2      GLN   6 -11.800   1.012  -3.818
   32    H    ILE   7           H        ILE   7  -7.301   4.961   0.606
   33    HA   ILE   7           HA       ILE   7  -4.889   4.682  -0.826
   34    HB   ILE   7           HB       ILE   7  -6.236   6.777  -0.163
   35   HG12  ILE   7          1HG1      ILE   7  -3.294   7.163   0.249
   36   HG13  ILE   7          2HG1      ILE   7  -3.841   6.458  -1.260
   37   HG21  ILE   7          1HG2      ILE   7  -6.318   6.490   2.219
   38   HG22  ILE   7          2HG2      ILE   7  -4.543   6.399   2.320
   39   HG23  ILE   7          3HG2      ILE   7  -5.331   7.926   1.855
   40   HD11  ILE   7          3HD1      ILE   7  -5.579   8.469  -1.245
   41   HD12  ILE   7          1HD1      ILE   7  -4.397   9.205  -0.134
   42   HD13  ILE   7          2HD1      ILE   7  -3.903   8.738  -1.780
   43    H    SER   8           H        SER   8  -5.974   3.508   2.239
   44    HA   SER   8           HA       SER   8  -3.418   3.548   3.465
   45    HB2  SER   8           1HB      SER   8  -6.133   2.419   4.115
   46    HB3  SER   8           2HB      SER   8  -4.752   1.753   4.964
   47    HG   SER   8           HG       SER   8  -4.837   4.577   4.824
   48    H    HIS   9           H        HIS   9  -5.091   1.541   1.153
   49    HA   HIS   9           HA       HIS   9  -3.688  -0.858   1.790
   50    HB2  HIS   9           1HB      HIS   9  -5.906  -0.945   0.813
   51    HB3  HIS   9           2HB      HIS   9  -5.374  -0.037  -0.588
   52    HD1  HIS   9           HD1      HIS   9  -5.769  -1.812  -2.369
   53    HD2  HIS   9           HD2      HIS   9  -3.386  -3.171   0.804
   54    HE1  HIS   9           HE1      HIS   9  -4.868  -4.092  -3.077
   55    H    LYS  10           H        LYS  10  -2.878   2.101   0.266
   56    HA   LYS  10           HA       LYS  10  -1.189   1.124  -1.768
   57    HB2  LYS  10           1HB      LYS  10  -0.731   3.322  -2.186
   58    HB3  LYS  10           2HB      LYS  10  -2.236   3.502  -1.305
   59    HG2  LYS  10           1HG      LYS  10  -0.974   3.906   0.804
   60    HG3  LYS  10           2HG      LYS  10   0.542   3.673  -0.043
   61    HD2  LYS  10           1HD      LYS  10  -0.527   5.590  -1.646
   62    HD3  LYS  10           2HD      LYS  10  -1.368   5.992  -0.162
   63    HE2  LYS  10           1HE      LYS  10   0.723   6.300   1.044
   64    HE3  LYS  10           2HE      LYS  10   1.657   5.607  -0.267
   65    HZ1  LYS  10           2HZ      LYS  10   1.501   7.531  -1.476
   66    HZ3  LYS  10           1HZ      LYS  10   1.315   8.219  -0.014
   67    H    ARG  11           H        ARG  11  -0.980   1.133   1.685
   68    HA   ARG  11           HA       ARG  11   1.762   1.438   1.947
   69    HB2  ARG  11           1HB      ARG  11   1.450   0.524   4.194
   70    HB3  ARG  11           2HB      ARG  11   0.068   1.534   3.821
   71    HG2  ARG  11           1HG      ARG  11  -1.115  -0.624   3.016
   72    HG3  ARG  11           2HG      ARG  11   0.206  -1.510   3.752
   73    HD2  ARG  11           1HD      ARG  11  -0.370   0.011   5.878
   74    HD3  ARG  11           2HD      ARG  11  -1.925   0.172   5.088
   75    HE   ARG  11           HE       ARG  11  -0.811  -2.273   6.286
   76   HH11  ARG  11          2HH2      ARG  11  -3.247  -0.953   4.077
   77   HH12  ARG  11          1HH2      ARG  11  -4.281  -2.338   4.192
   78   HH22  ARG  11          1HH       ARG  11  -3.630  -4.176   5.585
   79    H    HIS  12           H        HIS  12  -0.094  -1.034   0.468
   80    HA   HIS  12           HA       HIS  12   1.461  -3.270   1.213
   81    HB2  HIS  12           1HB      HIS  12  -0.592  -2.685  -0.900
   82    HB3  HIS  12           2HB      HIS  12   0.342  -4.165  -0.990
   83    HD1  HIS  12           HD1      HIS  12  -0.937  -2.607   2.250
   84    HD2  HIS  12           HD2      HIS  12  -1.630  -5.938  -0.203
   85    HE1  HIS  12           HE1      HIS  12  -2.550  -4.114   3.530
   86    H    LYS  13           H        LYS  13   2.055  -0.533  -0.781
   87    HA   LYS  13           HA       LYS  13   3.666  -1.808  -2.736
   88    HB2  LYS  13           1HB      LYS  13   2.920   0.951  -1.965
   89    HB3  LYS  13           2HB      LYS  13   4.498   0.792  -2.709
   90    HG2  LYS  13           1HG      LYS  13   3.275   0.922  -4.656
   91    HG3  LYS  13           2HG      LYS  13   3.095  -0.802  -4.402
   92    HD2  LYS  13           1HD      LYS  13   0.980  -0.163  -2.986
   93    HD3  LYS  13           2HD      LYS  13   1.107   1.405  -3.757
   94    HE2  LYS  13           1HE      LYS  13   1.357  -0.772  -5.719
   95    HE3  LYS  13           2HE      LYS  13  -0.141  -0.895  -4.820
   96    HZ1  LYS  13           2HZ      LYS  13  -0.242   0.577  -6.831
   97    HZ3  LYS  13           1HZ      LYS  13   0.748   1.636  -6.090
   98    H    THR  14           H        THR  14   4.089  -0.865   0.611
   99    HA   THR  14           HA       THR  14   6.945  -0.677   0.475
  100    HB   THR  14           HB       THR  14   4.911  -0.908   2.754
  101    HG1  THR  14           HG1      THR  14   5.116   1.003   1.179
  102   HG21  THR  14          3HG2      THR  14   7.925  -0.414   2.730
  103   HG22  THR  14          1HG2      THR  14   6.884   0.208   4.034
  104   HG23  THR  14          2HG2      THR  14   7.011  -1.545   3.756
  105    H    ASP  15           H        ASP  15   4.596  -3.268   0.701
  106    HA   ASP  15           HA       ASP  15   6.350  -5.079   1.953
  107    HB2  ASP  15           1HB      ASP  15   3.754  -5.302   0.399
  108    HB3  ASP  15           2HB      ASP  15   4.632  -6.758   0.827
  109    HD2  ASP  15           HD2      ASP  15   2.130  -6.112   1.698
  110    H    SER  16           H        SER  16   5.708  -3.934  -1.343
  111    HA   SER  16           HA       SER  16   6.869  -6.161  -2.635
  112    HB2  SER  16           1HB      SER  16   5.200  -4.277  -3.502
  113    HB3  SER  16           2HB      SER  16   6.678  -3.428  -3.909
  114    HG   SER  16           HG       SER  16   6.250  -6.164  -4.720
  115    H    PHE  17           H        PHE  17   8.049  -3.287  -1.031
  116    HA   PHE  17           HA       PHE  17  10.481  -3.074  -2.489
  117    HB2  PHE  17           1HB      PHE  17   9.099  -1.951  -0.062
  118    HB3  PHE  17           2HB      PHE  17  10.848  -1.891   0.013
  119    HD1  PHE  17           HD1      PHE  17  12.076  -0.766  -1.944
  120    HD2  PHE  17           HD2      PHE  17   7.913  -0.325  -1.252
  121    HE1  PHE  17           HE1      PHE  17  12.064   1.320  -3.340
  122    HE2  PHE  17           HE2      PHE  17   7.901   1.761  -2.647
  123    HZ   PHE  17           HZ       PHE  17   9.977   2.559  -3.675
  124    H    VAL  18           H        VAL  18   9.291  -5.084   0.135
  125    HA   VAL  18           HA       VAL  18  11.759  -5.592   1.385
  126    HB   VAL  18           HB       VAL  18   9.346  -7.400   1.214
  127   HG11  VAL  18          1HG1      VAL  18  10.753  -8.680   2.437
  128   HG12  VAL  18          2HG1      VAL  18  11.805  -7.308   2.860
  129   HG13  VAL  18          3HG1      VAL  18  10.294  -7.583   3.760
  130   HG21  VAL  18          3HG2      VAL  18   9.396  -4.727   2.125
  131   HG22  VAL  18          1HG2      VAL  18   8.112  -5.937   2.359
  132   HG23  VAL  18          2HG2      VAL  18   9.391  -5.749   3.583
  133    H    GLY  19           H        GLY  19  10.170  -6.799  -1.551
  134    HA2  GLY  19           1HA      GLY  19  11.961  -9.059  -1.814
  135    HA3  GLY  19           2HA      GLY  19  10.718  -8.534  -2.934
  136    H    LEU  20           H        LEU  20  12.353  -5.727  -2.157
  137    HA   LEU  20           HA       LEU  20  13.886  -5.897  -4.615
  138    HB2  LEU  20           1HB      LEU  20  12.397  -3.895  -3.262
  139    HB3  LEU  20           2HB      LEU  20  14.065  -3.359  -3.306
  140    HG   LEU  20           HG       LEU  20  12.748  -2.527  -5.208
  141   HD11  LEU  20          1HD1      LEU  20  14.425  -4.051  -6.893
  142   HD12  LEU  20          2HD1      LEU  20  14.725  -2.436  -6.208
  143   HD13  LEU  20          3HD1      LEU  20  15.274  -3.889  -5.337
  144   HD21  LEU  20          3HD2      LEU  20  11.445  -3.779  -6.525
  145   HD22  LEU  20          1HD2      LEU  20  12.656  -5.077  -6.659
  146   HD23  LEU  20          2HD2      LEU  20  11.576  -5.009  -5.246
  147    H    MET  21           H        MET  21  14.275  -6.040  -1.136
  148    HA   MET  21           HA       MET  21  16.969  -5.202  -1.134
  149    HB2  MET  21           1HB      MET  21  14.985  -5.648   0.766
  150    HB3  MET  21           2HB      MET  21  16.006  -7.050   1.018
  151    HG2  MET  21           1HG      MET  21  17.400  -4.397   0.762
  152    HG3  MET  21           2HG      MET  21  16.474  -4.659   2.226
  153    HE1  MET  21           3HE      MET  21  16.836  -6.401   3.924
  154    HE2  MET  21           1HE      MET  21  16.719  -7.794   2.823
  155    HE3  MET  21           2HE      MET  21  18.106  -7.649   3.930
  Start of MODEL   13
    1    H1   ASP   1           H        ASP   1 -17.480   7.259   0.837
    2    HA   ASP   1           HA       ASP   1 -16.212   8.882   2.793
    3    HB2  ASP   1           1HB      ASP   1 -18.531   7.104   2.593
    4    HB3  ASP   1           2HB      ASP   1 -17.637   6.769   4.062
    5    HD2  ASP   1           HD2      ASP   1 -20.351   9.058   4.178
    6    H    ALA   2           H        ALA   2 -16.413   5.351   1.940
    7    HA   ALA   2           HA       ALA   2 -14.313   4.747   3.853
    8    HB1  ALA   2           3HB      ALA   2 -16.577   3.418   3.066
    9    HB2  ALA   2           1HB      ALA   2 -15.346   2.638   2.043
   10    HB3  ALA   2           2HB      ALA   2 -15.162   2.638   3.814
   11    H    GLY   3           H        GLY   3 -14.557   5.915   0.692
   12    HA2  GLY   3           1HA      GLY   3 -12.539   4.362  -0.590
   13    HA3  GLY   3           2HA      GLY   3 -13.198   5.899  -1.111
   14    H    HIS   4           H        HIS   4 -12.323   6.367   2.093
   15    HA   HIS   4           HA       HIS   4  -9.999   7.832   1.295
   16    HB2  HIS   4           1HB      HIS   4 -11.938   8.108   3.252
   17    HB3  HIS   4           2HB      HIS   4 -10.535   7.596   4.170
   18    HD1  HIS   4           HD1      HIS   4 -10.106   9.884   5.264
   19    HD2  HIS   4           HD2      HIS   4 -10.126  10.008   1.072
   20    HE1  HIS   4           HE1      HIS   4  -9.222  12.187   4.614
   21    H    GLY   5           H        GLY   5 -10.702   4.621   2.346
   22    HA2  GLY   5           1HA      GLY   5  -8.156   4.182   3.661
   23    HA3  GLY   5           2HA      GLY   5  -9.424   3.012   3.353
   24    H    GLN   6           H        GLN   6  -9.452   4.181   0.408
   25    HA   GLN   6           HA       GLN   6  -7.955   2.135  -0.682
   26    HB2  GLN   6           1HB      GLN   6  -9.585   4.373  -1.623
   27    HB3  GLN   6           2HB      GLN   6  -8.204   4.132  -2.674
   28    HG2  GLN   6           1HG      GLN   6  -9.533   2.539  -3.652
   29    HG3  GLN   6           2HG      GLN   6  -8.969   1.528  -2.336
   30   HE21  GLN   6          2HE2      GLN   6 -10.238   1.402  -0.392
   31   HE22  GLN   6          1HE2      GLN   6 -11.961   1.571  -0.450
   32    H    ILE   7           H        ILE   7  -7.046   5.318   0.467
   33    HA   ILE   7           HA       ILE   7  -4.754   5.658  -1.145
   34    HB   ILE   7           HB       ILE   7  -4.357   7.537   0.094
   35   HG12  ILE   7          1HG1      ILE   7  -5.711   6.278   2.499
   36   HG13  ILE   7          2HG1      ILE   7  -3.979   6.348   2.237
   37   HG21  ILE   7          1HG2      ILE   7  -7.259   7.220   0.834
   38   HG22  ILE   7          2HG2      ILE   7  -6.385   8.668   0.278
   39   HG23  ILE   7          3HG2      ILE   7  -6.744   7.351  -0.864
   40   HD11  ILE   7          3HD1      ILE   7  -5.764   8.823   2.309
   41   HD12  ILE   7          1HD1      ILE   7  -4.879   8.194   3.720
   42   HD13  ILE   7          2HD1      ILE   7  -3.984   8.782   2.300
   43    H    SER   8           H        SER   8  -5.536   3.620   1.582
   44    HA   SER   8           HA       SER   8  -2.802   3.338   2.362
   45    HB2  SER   8           1HB      SER   8  -5.008   3.120   3.810
   46    HB3  SER   8           2HB      SER   8  -5.027   1.472   3.216
   47    HG   SER   8           HG       SER   8  -2.667   2.610   4.425
   48    H    HIS   9           H        HIS   9  -4.905   2.066  -0.059
   49    HA   HIS   9           HA       HIS   9  -3.822  -0.555  -0.156
   50    HB2  HIS   9           1HB      HIS   9  -6.093   0.157  -0.976
   51    HB3  HIS   9           2HB      HIS   9  -5.305   0.967  -2.316
   52    HD1  HIS   9           HD1      HIS   9  -6.029  -2.485  -0.948
   53    HD2  HIS   9           HD2      HIS   9  -4.393  -0.709  -4.377
   54    HE1  HIS   9           HE1      HIS   9  -5.806  -4.346  -2.679
   55    H    LYS  10           H        LYS  10  -2.796   2.611  -1.206
   56    HA   LYS  10           HA       LYS  10  -1.176   1.713  -3.366
   57    HB2  LYS  10           1HB      LYS  10  -0.603   3.934  -3.635
   58    HB3  LYS  10           2HB      LYS  10  -2.189   4.059  -2.902
   59    HG2  LYS  10           1HG      LYS  10  -0.888   4.121  -0.616
   60    HG3  LYS  10           2HG      LYS  10   0.522   4.476  -1.594
   61    HD2  LYS  10           1HD      LYS  10  -2.046   6.076  -1.912
   62    HD3  LYS  10           2HD      LYS  10  -0.880   6.481  -0.668
   63    HE2  LYS  10           1HE      LYS  10  -0.078   7.821  -2.394
   64    HE3  LYS  10           2HE      LYS  10   0.861   6.373  -2.696
   65    HZ1  LYS  10           2HZ      LYS  10  -0.325   7.283  -4.691
   66    HZ3  LYS  10           1HZ      LYS  10  -1.750   6.882  -4.014
   67    H    ARG  11           H        ARG  11  -0.974   1.494   0.064
   68    HA   ARG  11           HA       ARG  11   1.821   1.717   0.250
   69    HB2  ARG  11           1HB      ARG  11  -0.221   0.384   2.099
   70    HB3  ARG  11           2HB      ARG  11   1.454   0.665   2.531
   71    HG2  ARG  11           1HG      ARG  11  -0.179   3.006   1.541
   72    HG3  ARG  11           2HG      ARG  11  -0.461   2.428   3.171
   73    HD2  ARG  11           1HD      ARG  11   1.818   2.851   3.836
   74    HD3  ARG  11           2HD      ARG  11   2.356   3.019   2.176
   75    HE   ARG  11           HE       ARG  11   0.999   5.062   3.793
   76   HH11  ARG  11          2HH2      ARG  11   1.846   4.042   0.508
   77   HH12  ARG  11          1HH2      ARG  11   1.693   5.634  -0.159
   78   HH22  ARG  11          1HH       ARG  11   1.076   7.452   1.275
   79    H    HIS  12           H        HIS  12  -0.099  -0.534  -1.310
   80    HA   HIS  12           HA       HIS  12   0.993  -2.962  -0.442
   81    HB2  HIS  12           1HB      HIS  12  -0.101  -3.928  -2.300
   82    HB3  HIS  12           2HB      HIS  12  -1.132  -2.631  -1.733
   83    HD1  HIS  12           HD1      HIS  12  -0.510  -0.194  -3.136
   84    HD2  HIS  12           HD2      HIS  12   0.118  -3.894  -5.011
   85    HE1  HIS  12           HE1      HIS  12  -0.447   0.277  -5.643
   86    H    LYS  13           H        LYS  13   2.156  -0.382  -2.543
   87    HA   LYS  13           HA       LYS  13   4.068  -1.985  -3.909
   88    HB2  LYS  13           1HB      LYS  13   3.967   1.026  -3.567
   89    HB3  LYS  13           2HB      LYS  13   4.896   0.140  -4.760
   90    HG2  LYS  13           1HG      LYS  13   1.852   0.014  -4.532
   91    HG3  LYS  13           2HG      LYS  13   2.707   1.071  -5.637
   92    HD2  LYS  13           1HD      LYS  13   2.958  -1.974  -5.604
   93    HD3  LYS  13           2HD      LYS  13   1.948  -1.070  -6.717
   94    HE2  LYS  13           1HE      LYS  13   4.328   0.229  -7.105
   95    HE3  LYS  13           2HE      LYS  13   4.930  -1.356  -6.660
   96    HZ1  LYS  13           2HZ      LYS  13   3.582  -0.570  -9.069
   97    HZ3  LYS  13           1HZ      LYS  13   2.928  -1.916  -8.425
   98    H    THR  14           H        THR  14   3.844  -0.474  -0.758
   99    HA   THR  14           HA       THR  14   6.673  -0.302  -0.341
  100    HB   THR  14           HB       THR  14   4.236  -0.166   1.512
  101    HG1  THR  14           HG1      THR  14   4.748   1.427  -0.342
  102   HG21  THR  14          3HG2      THR  14   7.055  -0.299   2.152
  103   HG22  THR  14          1HG2      THR  14   6.509   1.378   2.393
  104   HG23  THR  14          2HG2      THR  14   5.699   0.046   3.252
  105    H    ASP  15           H        ASP  15   4.248  -2.824  -0.163
  106    HA   ASP  15           HA       ASP  15   5.654  -4.385   1.710
  107    HB2  ASP  15           1HB      ASP  15   3.426  -4.890  -0.286
  108    HB3  ASP  15           2HB      ASP  15   4.149  -6.241   0.565
  109    HD2  ASP  15           HD2      ASP  15   1.900  -3.445   1.461
  110    H    SER  16           H        SER  16   5.730  -3.828  -1.792
  111    HA   SER  16           HA       SER  16   7.059  -6.239  -2.422
  112    HB2  SER  16           1HB      SER  16   5.747  -4.260  -3.858
  113    HB3  SER  16           2HB      SER  16   7.420  -3.950  -4.272
  114    HG   SER  16           HG       SER  16   6.414  -5.485  -5.728
  115    H    PHE  17           H        PHE  17   7.978  -3.128  -1.118
  116    HA   PHE  17           HA       PHE  17  10.661  -3.159  -2.062
  117    HB2  PHE  17           1HB      PHE  17   8.817  -1.432  -0.743
  118    HB3  PHE  17           2HB      PHE  17  10.044  -1.729   0.472
  119    HD1  PHE  17           HD2      PHE  17  12.548  -1.536  -0.508
  120    HD2  PHE  17           HD1      PHE  17   9.124   0.392  -2.110
  121    HE1  PHE  17           HE2      PHE  17  14.021   0.194  -1.573
  122    HE2  PHE  17           HE1      PHE  17  10.598   2.122  -3.176
  123    HZ   PHE  17           HZ       PHE  17  13.028   2.002  -2.895
  124    H    VAL  18           H        VAL  18   8.902  -4.689   0.565
  125    HA   VAL  18           HA       VAL  18  11.162  -5.013   2.270
  126    HB   VAL  18           HB       VAL  18   8.616  -6.630   2.247
  127   HG11  VAL  18          1HG1      VAL  18  10.301  -5.707   4.591
  128   HG12  VAL  18          2HG1      VAL  18   9.002  -6.923   4.583
  129   HG13  VAL  18          3HG1      VAL  18  10.544  -7.264   3.763
  130   HG21  VAL  18          3HG2      VAL  18   7.443  -4.748   2.526
  131   HG22  VAL  18          1HG2      VAL  18   8.285  -4.540   4.081
  132   HG23  VAL  18          2HG2      VAL  18   8.923  -3.762   2.612
  133    H    GLY  19           H        GLY  19   9.735  -6.721  -0.494
  134    HA2  GLY  19           1HA      GLY  19  11.273  -9.133  -0.022
  135    HA3  GLY  19           2HA      GLY  19  10.198  -8.787  -1.361
  136    H    LEU  20           H        LEU  20  12.068  -6.032  -1.062
  137    HA   LEU  20           HA       LEU  20  13.773  -6.911  -3.239
  138    HB2  LEU  20           1HB      LEU  20  12.806  -4.301  -2.174
  139    HB3  LEU  20           2HB      LEU  20  14.331  -4.324  -3.038
  140    HG   LEU  20           HG       LEU  20  11.999  -5.669  -4.332
  141   HD11  LEU  20          1HD1      LEU  20  11.996  -2.855  -3.526
  142   HD12  LEU  20          2HD1      LEU  20  11.776  -3.091  -5.277
  143   HD13  LEU  20          3HD1      LEU  20  10.674  -3.884  -4.125
  144   HD21  LEU  20          3HD2      LEU  20  14.164  -3.876  -5.461
  145   HD22  LEU  20          1HD2      LEU  20  14.287  -5.646  -5.320
  146   HD23  LEU  20          2HD2      LEU  20  13.039  -4.922  -6.362
  147    H    MET  21           H        MET  21  13.849  -6.276   0.205
  148    HA   MET  21           HA       MET  21  16.585  -5.665   0.346
  149    HB2  MET  21           1HB      MET  21  14.298  -6.055   2.128
  150    HB3  MET  21           2HB      MET  21  15.683  -6.904   2.785
  151    HG2  MET  21           1HG      MET  21  15.944  -4.743   3.699
  152    HG3  MET  21           2HG      MET  21  17.007  -4.685   2.308
  153    HE1  MET  21           3HE      MET  21  16.733  -2.758   0.423
  154    HE2  MET  21           1HE      MET  21  15.977  -1.354   1.216
  155    HE3  MET  21           2HE      MET  21  17.149  -2.353   2.106
  Start of MODEL   14
    1    H1   ASP   1           H        ASP   1 -14.956  10.469  -2.285
    2    HA   ASP   1           HA       ASP   1 -13.980  11.244  -0.246
    3    HB2  ASP   1           1HB      ASP   1 -16.814  10.636  -0.631
    4    HB3  ASP   1           2HB      ASP   1 -16.422  10.603   1.077
    5    HD2  ASP   1           HD2      ASP   1 -14.445  13.213   0.032
    6    H    ALA   2           H        ALA   2 -15.756   8.080  -0.000
    7    HA   ALA   2           HA       ALA   2 -14.514   7.557   2.572
    8    HB1  ALA   2           3HB      ALA   2 -16.731   6.891   2.644
    9    HB2  ALA   2           1HB      ALA   2 -16.754   6.409   0.930
   10    HB3  ALA   2           2HB      ALA   2 -15.962   5.367   2.138
   11    H    GLY   3           H        GLY   3 -13.706   7.287  -0.697
   12    HA2  GLY   3           1HA      GLY   3 -12.545   4.683  -0.728
   13    HA3  GLY   3           2HA      GLY   3 -12.290   5.982  -1.877
   14    H    HIS   4           H        HIS   4 -11.759   7.359   1.136
   15    HA   HIS   4           HA       HIS   4  -8.991   7.535   0.704
   16    HB2  HIS   4           1HB      HIS   4  -8.982   9.034   2.443
   17    HB3  HIS   4           2HB      HIS   4 -10.646   9.142   1.904
   18    HD1  HIS   4           HD1      HIS   4  -8.532   7.722   4.715
   19    HD2  HIS   4           HD2      HIS   4 -12.571   8.341   3.766
   20    HE1  HIS   4           HE1      HIS   4  -9.847   7.260   6.853
   21    H    GLY   5           H        GLY   5 -11.047   5.203   2.312
   22    HA2  GLY   5           1HA      GLY   5  -9.094   4.191   4.135
   23    HA3  GLY   5           2HA      GLY   5 -10.609   3.446   3.664
   24    H    GLN   6           H        GLN   6  -9.617   3.927   0.686
   25    HA   GLN   6           HA       GLN   6  -8.576   1.313   0.440
   26    HB2  GLN   6           1HB      GLN   6  -8.885   3.534  -1.629
   27    HB3  GLN   6           2HB      GLN   6  -8.512   1.863  -2.003
   28    HG2  GLN   6           1HG      GLN   6 -11.065   2.951  -0.742
   29    HG3  GLN   6           2HG      GLN   6 -10.901   2.150  -2.293
   30   HE21  GLN   6          2HE2      GLN   6  -9.596  -0.044  -2.008
   31   HE22  GLN   6          1HE2      GLN   6 -10.259  -1.126  -0.830
   32    H    ILE   7           H        ILE   7  -7.212   4.461   0.976
   33    HA   ILE   7           HA       ILE   7  -4.770   4.125  -0.376
   34    HB   ILE   7           HB       ILE   7  -5.524   5.825   2.004
   35   HG12  ILE   7          1HG1      ILE   7  -6.889   6.278   0.027
   36   HG13  ILE   7          2HG1      ILE   7  -5.814   7.616   0.380
   37   HG21  ILE   7          1HG2      ILE   7  -3.369   6.319   2.196
   38   HG22  ILE   7          2HG2      ILE   7  -2.957   5.335   0.772
   39   HG23  ILE   7          3HG2      ILE   7  -3.440   7.036   0.568
   40   HD11  ILE   7          3HD1      ILE   7  -5.757   5.683  -1.915
   41   HD12  ILE   7          1HD1      ILE   7  -5.398   7.427  -1.887
   42   HD13  ILE   7          2HD1      ILE   7  -4.189   6.261  -1.302
   43    H    SER   8           H        SER   8  -6.137   2.518   2.331
   44    HA   SER   8           HA       SER   8  -3.616   2.054   3.603
   45    HB2  SER   8           1HB      SER   8  -6.374   1.868   4.330
   46    HB3  SER   8           2HB      SER   8  -5.716   0.250   4.479
   47    HG   SER   8           HG       SER   8  -4.873   0.901   6.328
   48    H    HIS   9           H        HIS   9  -5.630   0.644   1.103
   49    HA   HIS   9           HA       HIS   9  -4.470  -1.972   1.370
   50    HB2  HIS   9           1HB      HIS   9  -6.150  -2.661   0.052
   51    HB3  HIS   9           2HB      HIS   9  -6.858  -1.109   0.452
   52    HD1  HIS   9           HD1      HIS   9  -7.040   0.659  -1.423
   53    HD2  HIS   9           HD2      HIS   9  -5.072  -2.854  -2.597
   54    HE1  HIS   9           HE1      HIS   9  -6.827   0.774  -3.963
   55    H    LYS  10           H        LYS  10  -3.623   1.063  -0.026
   56    HA   LYS  10           HA       LYS  10  -2.122  -0.063  -2.206
   57    HB2  LYS  10           1HB      LYS  10  -2.496   2.729  -1.112
   58    HB3  LYS  10           2HB      LYS  10  -1.341   2.375  -2.380
   59    HG2  LYS  10           1HG      LYS  10  -3.158   1.402  -3.785
   60    HG3  LYS  10           2HG      LYS  10  -4.320   1.711  -2.509
   61    HD2  LYS  10           1HD      LYS  10  -3.894   4.153  -2.676
   62    HD3  LYS  10           2HD      LYS  10  -2.667   3.874  -3.896
   63    HE2  LYS  10           1HE      LYS  10  -4.249   3.214  -5.534
   64    HE3  LYS  10           2HE      LYS  10  -5.463   2.795  -4.342
   65    HZ1  LYS  10           2HZ      LYS  10  -4.608   5.536  -5.085
   66    HZ3  LYS  10           1HZ      LYS  10  -5.565   5.235  -3.801
   67    H    ARG  11           H        ARG  11  -1.739   0.198   1.170
   68    HA   ARG  11           HA       ARG  11   0.948   0.873   1.296
   69    HB2  ARG  11           1HB      ARG  11   0.829   0.158   3.592
   70    HB3  ARG  11           2HB      ARG  11  -0.768   0.772   3.212
   71    HG2  ARG  11           1HG      ARG  11  -1.474  -1.623   2.672
   72    HG3  ARG  11           2HG      ARG  11   0.084  -2.158   3.271
   73    HD2  ARG  11           1HD      ARG  11  -0.761  -0.530   5.350
   74    HD3  ARG  11           2HD      ARG  11  -2.287  -1.179   4.783
   75    HE   ARG  11           HE       ARG  11  -0.265  -2.630   6.229
   76   HH11  ARG  11          2HH2      ARG  11  -2.607  -3.061   3.604
   77   HH12  ARG  11          1HH2      ARG  11  -2.764  -4.767   3.858
   78   HH22  ARG  11          1HH       ARG  11  -1.500  -5.816   5.603
   79    H    HIS  12           H        HIS  12  -0.597  -1.853  -0.048
   80    HA   HIS  12           HA       HIS  12   1.159  -3.890   0.754
   81    HB2  HIS  12           1HB      HIS  12   0.227  -5.059  -1.286
   82    HB3  HIS  12           2HB      HIS  12  -0.934  -4.551  -0.075
   83    HD1  HIS  12           HD1      HIS  12  -2.681  -4.729  -2.135
   84    HD2  HIS  12           HD2      HIS  12   0.133  -1.626  -2.350
   85    HE1  HIS  12           HE1      HIS  12  -3.558  -3.088  -3.881
   86    H    LYS  13           H        LYS  13   1.613  -1.111  -1.191
   87    HA   LYS  13           HA       LYS  13   3.450  -2.264  -3.045
   88    HB2  LYS  13           1HB      LYS  13   2.320   0.404  -2.452
   89    HB3  LYS  13           2HB      LYS  13   3.952   0.421  -3.087
   90    HG2  LYS  13           1HG      LYS  13   3.321  -0.712  -5.092
   91    HG3  LYS  13           2HG      LYS  13   1.824  -1.302  -4.398
   92    HD2  LYS  13           1HD      LYS  13   1.447   1.414  -4.146
   93    HD3  LYS  13           2HD      LYS  13   2.442   1.367  -5.588
   94    HE2  LYS  13           1HE      LYS  13   0.829  -0.423  -6.504
   95    HE3  LYS  13           2HE      LYS  13  -0.218  -0.060  -5.146
   96    HZ1  LYS  13           2HZ      LYS  13  -0.598   2.096  -5.946
   97    HZ3  LYS  13           1HZ      LYS  13  -0.564   1.237  -7.330
   98    H    THR  14           H        THR  14   3.542  -1.173   0.277
   99    HA   THR  14           HA       THR  14   6.352  -0.613   0.302
  100    HB   THR  14           HB       THR  14   4.159  -0.971   2.399
  101    HG1  THR  14           HG1      THR  14   4.043   1.097   1.572
  102   HG21  THR  14          3HG2      THR  14   7.017  -1.147   2.812
  103   HG22  THR  14          1HG2      THR  14   6.471   0.447   3.388
  104   HG23  THR  14          2HG2      THR  14   5.739  -1.037   4.046
  105    H    ASP  15           H        ASP  15   4.346  -3.483   0.502
  106    HA   ASP  15           HA       ASP  15   6.251  -5.009   1.905
  107    HB2  ASP  15           1HB      ASP  15   3.801  -5.631   0.225
  108    HB3  ASP  15           2HB      ASP  15   4.830  -6.937   0.778
  109    HD2  ASP  15           HD2      ASP  15   3.217  -4.394   3.267
  110    H    SER  16           H        SER  16   5.642  -4.061  -1.460
  111    HA   SER  16           HA       SER  16   7.149  -6.156  -2.608
  112    HB2  SER  16           1HB      SER  16   5.306  -4.754  -3.723
  113    HB3  SER  16           2HB      SER  16   6.482  -3.462  -3.860
  114    HG   SER  16           HG       SER  16   7.147  -6.079  -4.833
  115    H    PHE  17           H        PHE  17   7.860  -3.104  -1.058
  116    HA   PHE  17           HA       PHE  17  10.318  -2.619  -2.404
  117    HB2  PHE  17           1HB      PHE  17   8.518  -1.350  -0.596
  118    HB3  PHE  17           2HB      PHE  17   9.965  -1.589   0.364
  119    HD1  PHE  17           HD2      PHE  17   9.400  -0.642  -3.211
  120    HD2  PHE  17           HD1      PHE  17  11.157   0.370   0.518
  121    HE1  PHE  17           HE2      PHE  17  10.427   1.399  -4.248
  122    HE2  PHE  17           HE1      PHE  17  12.183   2.412  -0.521
  123    HZ   PHE  17           HZ       PHE  17  11.807   2.902  -2.891
  124    H    VAL  18           H        VAL  18   9.260  -4.683   0.234
  125    HA   VAL  18           HA       VAL  18  11.728  -4.827   1.594
  126    HB   VAL  18           HB       VAL  18   9.562  -6.923   1.472
  127   HG11  VAL  18          1HG1      VAL  18  10.270  -7.485   3.710
  128   HG12  VAL  18          2HG1      VAL  18  11.696  -7.484   2.645
  129   HG13  VAL  18          3HG1      VAL  18  11.405  -6.114   3.744
  130   HG21  VAL  18          3HG2      VAL  18   8.759  -5.582   3.588
  131   HG22  VAL  18          1HG2      VAL  18   9.573  -4.220   2.781
  132   HG23  VAL  18          2HG2      VAL  18   8.252  -5.082   1.956
  133    H    GLY  19           H        GLY  19  10.374  -6.351  -1.310
  134    HA2  GLY  19           1HA      GLY  19  12.417  -8.403  -1.405
  135    HA3  GLY  19           2HA      GLY  19  11.149  -8.091  -2.574
  136    H    LEU  20           H        LEU  20  12.439  -5.077  -1.921
  137    HA   LEU  20           HA       LEU  20  14.032  -5.195  -4.345
  138    HB2  LEU  20           1HB      LEU  20  12.263  -3.341  -3.202
  139    HB3  LEU  20           2HB      LEU  20  13.846  -2.601  -3.086
  140    HG   LEU  20           HG       LEU  20  12.746  -1.911  -5.125
  141   HD11  LEU  20          1HD1      LEU  20  15.164  -2.105  -5.200
  142   HD12  LEU  20          2HD1      LEU  20  15.038  -3.816  -5.677
  143   HD13  LEU  20          3HD1      LEU  20  14.460  -2.540  -6.776
  144   HD21  LEU  20          3HD2      LEU  20  11.416  -4.156  -5.224
  145   HD22  LEU  20          1HD2      LEU  20  11.815  -3.287  -6.725
  146   HD23  LEU  20          2HD2      LEU  20  12.779  -4.700  -6.231
  147    H    MET  21           H        MET  21  14.363  -5.121  -0.857
  148    HA   MET  21           HA       MET  21  16.938  -3.974  -0.844
  149    HB2  MET  21           1HB      MET  21  15.241  -4.138   1.096
  150    HB3  MET  21           2HB      MET  21  15.649  -5.838   1.223
  151    HG2  MET  21           1HG      MET  21  18.083  -4.207   1.161
  152    HG3  MET  21           2HG      MET  21  17.011  -3.660   2.435
  153    HE1  MET  21           3HE      MET  21  16.109  -4.727   4.086
  154    HE2  MET  21           1HE      MET  21  16.154  -6.457   4.501
  155    HE3  MET  21           2HE      MET  21  17.431  -5.367   5.092
  Start of MODEL   15
    1    H1   ASP   1           H        ASP   1 -15.012   8.295  -1.681
    2    HA   ASP   1           HA       ASP   1 -15.680   9.970  -0.074
    3    HB2  ASP   1           1HB      ASP   1 -18.205   8.540  -0.473
    4    HB3  ASP   1           2HB      ASP   1 -17.800   8.593   1.231
    5    HD2  ASP   1           HD2      ASP   1 -19.627  11.578   0.924
    6    H    ALA   2           H        ALA   2 -16.427   6.412   0.047
    7    HA   ALA   2           HA       ALA   2 -15.052   6.188   2.595
    8    HB1  ALA   2           3HB      ALA   2 -15.834   3.648   1.632
    9    HB2  ALA   2           1HB      ALA   2 -16.662   4.640   2.856
   10    HB3  ALA   2           2HB      ALA   2 -17.129   4.769   1.143
   11    H    GLY   3           H        GLY   3 -14.243   6.294  -0.684
   12    HA2  GLY   3           1HA      GLY   3 -12.360   4.158  -0.821
   13    HA3  GLY   3           2HA      GLY   3 -12.515   5.520  -1.914
   14    H    HIS   4           H        HIS   4 -12.384   6.877   1.150
   15    HA   HIS   4           HA       HIS   4  -9.752   7.815   0.724
   16    HB2  HIS   4           1HB      HIS   4 -10.205   9.322   2.376
   17    HB3  HIS   4           2HB      HIS   4 -11.836   8.911   1.885
   18    HD1  HIS   4           HD1      HIS   4  -9.299   7.967   4.589
   19    HD2  HIS   4           HD2      HIS   4 -13.440   7.979   3.915
   20    HE1  HIS   4           HE1      HIS   4 -10.386   7.310   6.803
   21    H    GLY   5           H        GLY   5 -11.167   5.058   2.353
   22    HA2  GLY   5           1HA      GLY   5  -8.904   4.636   4.114
   23    HA3  GLY   5           2HA      GLY   5 -10.318   3.619   3.917
   24    H    GLN   6           H        GLN   6  -9.576   4.155   0.780
   25    HA   GLN   6           HA       GLN   6  -8.337   1.626   0.537
   26    HB2  GLN   6           1HB      GLN   6  -9.682   3.558  -1.188
   27    HB3  GLN   6           2HB      GLN   6  -8.228   2.963  -1.965
   28    HG2  GLN   6           1HG      GLN   6 -10.134   1.501  -2.518
   29    HG3  GLN   6           2HG      GLN   6  -8.957   0.614  -1.570
   30   HE21  GLN   6          2HE2      GLN   6  -9.855  -0.676  -0.173
   31   HE22  GLN   6          1HE2      GLN   6 -11.271  -0.381   0.781
   32    H    ILE   7           H        ILE   7  -7.205   4.850   1.025
   33    HA   ILE   7           HA       ILE   7  -4.826   4.745  -0.466
   34    HB   ILE   7           HB       ILE   7  -4.135   6.606   1.006
   35   HG12  ILE   7          1HG1      ILE   7  -6.342   7.336   2.438
   36   HG13  ILE   7          2HG1      ILE   7  -6.389   5.595   2.632
   37   HG21  ILE   7          1HG2      ILE   7  -6.215   6.506  -0.884
   38   HG22  ILE   7          2HG2      ILE   7  -6.792   7.565   0.426
   39   HG23  ILE   7          3HG2      ILE   7  -5.250   7.917  -0.392
   40   HD11  ILE   7          3HD1      ILE   7  -3.816   7.163   3.052
   41   HD12  ILE   7          1HD1      ILE   7  -5.001   6.927   4.359
   42   HD13  ILE   7          2HD1      ILE   7  -4.209   5.520   3.612
   43    H    SER   8           H        SER   8  -5.893   3.122   2.414
   44    HA   SER   8           HA       SER   8  -3.351   2.846   3.585
   45    HB2  SER   8           1HB      SER   8  -6.036   2.208   4.245
   46    HB3  SER   8           2HB      SER   8  -5.190   0.673   4.236
   47    HG   SER   8           HG       SER   8  -4.411   3.041   5.715
   48    H    HIS   9           H        HIS   9  -5.022   1.342   0.908
   49    HA   HIS   9           HA       HIS   9  -3.581  -1.119   1.041
   50    HB2  HIS   9           1HB      HIS   9  -4.981  -1.817  -0.581
   51    HB3  HIS   9           2HB      HIS   9  -5.925  -0.436  -0.062
   52    HD1  HIS   9           HD1      HIS   9  -4.357   1.848  -1.490
   53    HD2  HIS   9           HD2      HIS   9  -5.431  -1.785  -3.291
   54    HE1  HIS   9           HE1      HIS   9  -4.400   2.282  -4.004
   55    H    LYS  10           H        LYS  10  -2.979   2.117  -0.085
   56    HA   LYS  10           HA       LYS  10  -1.220   1.498  -2.192
   57    HB2  LYS  10           1HB      LYS  10  -2.434   3.741  -1.383
   58    HB3  LYS  10           2HB      LYS  10  -0.889   4.001  -0.598
   59    HG2  LYS  10           1HG      LYS  10   0.098   4.531  -2.570
   60    HG3  LYS  10           2HG      LYS  10  -0.425   3.023  -3.295
   61    HD2  LYS  10           1HD      LYS  10  -2.193   4.007  -4.369
   62    HD3  LYS  10           2HD      LYS  10  -2.636   4.963  -2.970
   63    HE2  LYS  10           1HE      LYS  10  -0.104   5.717  -4.423
   64    HE3  LYS  10           2HE      LYS  10  -1.627   6.089  -5.205
   65    HZ1  LYS  10           2HZ      LYS  10  -0.518   7.692  -3.397
   66    HZ3  LYS  10           1HZ      LYS  10  -1.452   6.818  -2.391
   67    H    ARG  11           H        ARG  11  -1.002   1.188   1.258
   68    HA   ARG  11           HA       ARG  11   1.787   1.545   1.406
   69    HB2  ARG  11           1HB      ARG  11  -0.401   0.568   3.223
   70    HB3  ARG  11           2HB      ARG  11   1.228   0.062   3.629
   71    HG2  ARG  11           1HG      ARG  11   1.988   2.294   3.940
   72    HG3  ARG  11           2HG      ARG  11   0.678   2.977   2.995
   73    HD2  ARG  11           1HD      ARG  11  -0.954   2.447   4.752
   74    HD3  ARG  11           2HD      ARG  11   0.244   1.546   5.659
   75    HE   ARG  11           HE       ARG  11   1.125   3.562   6.471
   76   HH11  ARG  11          2HH2      ARG  11  -0.970   4.254   3.699
   77   HH12  ARG  11          1HH2      ARG  11  -0.913   5.970   3.926
   78   HH22  ARG  11          1HH       ARG  11   0.369   6.872   5.739
   79    H    HIS  12           H        HIS  12  -0.162  -0.857   0.012
   80    HA   HIS  12           HA       HIS  12   1.253  -3.163   0.816
   81    HB2  HIS  12           1HB      HIS  12  -0.652  -2.540  -1.441
   82    HB3  HIS  12           2HB      HIS  12   0.109  -4.111  -1.290
   83    HD1  HIS  12           HD1      HIS  12  -1.691  -1.802   1.210
   84    HD2  HIS  12           HD2      HIS  12  -1.607  -5.805  -0.039
   85    HE1  HIS  12           HE1      HIS  12  -3.416  -3.030   2.634
   86    H    LYS  13           H        LYS  13   1.929  -0.530  -1.352
   87    HA   LYS  13           HA       LYS  13   3.600  -1.993  -3.130
   88    HB2  LYS  13           1HB      LYS  13   4.119   0.126  -4.081
   89    HB3  LYS  13           2HB      LYS  13   2.415   0.143  -3.677
   90    HG2  LYS  13           1HG      LYS  13   2.906   2.128  -2.646
   91    HG3  LYS  13           2HG      LYS  13   3.468   1.112  -1.333
   92    HD2  LYS  13           1HD      LYS  13   5.778   1.118  -2.397
   93    HD3  LYS  13           2HD      LYS  13   5.183   2.262  -3.585
   94    HE2  LYS  13           1HE      LYS  13   4.406   3.641  -1.437
   95    HE3  LYS  13           2HE      LYS  13   5.607   2.666  -0.614
   96    HZ1  LYS  13           2HZ      LYS  13   7.086   4.152  -1.400
   97    HZ3  LYS  13           1HZ      LYS  13   6.025   4.833  -2.431
   98    H    THR  14           H        THR  14   3.906  -0.662   0.096
   99    HA   THR  14           HA       THR  14   6.761  -0.426   0.018
  100    HB   THR  14           HB       THR  14   4.610  -0.369   2.188
  101    HG1  THR  14           HG1      THR  14   4.707   1.705   1.428
  102   HG21  THR  14          3HG2      THR  14   7.551  -0.602   2.443
  103   HG22  THR  14          1HG2      THR  14   6.915   0.898   3.162
  104   HG23  THR  14          2HG2      THR  14   6.302  -0.682   3.709
  105    H    ASP  15           H        ASP  15   4.459  -3.027   0.470
  106    HA   ASP  15           HA       ASP  15   6.206  -4.643   1.974
  107    HB2  ASP  15           1HB      ASP  15   3.673  -5.110   0.371
  108    HB3  ASP  15           2HB      ASP  15   4.563  -6.480   1.003
  109    HD2  ASP  15           HD2      ASP  15   4.776  -6.566   3.256
  110    H    SER  16           H        SER  16   5.650  -3.897  -1.451
  111    HA   SER  16           HA       SER  16   6.900  -6.228  -2.440
  112    HB2  SER  16           1HB      SER  16   5.236  -4.932  -3.748
  113    HB3  SER  16           2HB      SER  16   6.313  -3.549  -3.779
  114    HG   SER  16           HG       SER  16   7.545  -5.884  -4.689
  115    H    PHE  17           H        PHE  17   7.966  -3.161  -1.143
  116    HA   PHE  17           HA       PHE  17  10.441  -3.058  -2.542
  117    HB2  PHE  17           1HB      PHE  17   9.801  -0.964  -1.668
  118    HB3  PHE  17           2HB      PHE  17   8.943  -1.688  -0.321
  119    HD1  PHE  17           HD1      PHE  17  10.154  -2.311   1.731
  120    HD2  PHE  17           HD2      PHE  17  12.118  -0.345  -1.476
  121    HE1  PHE  17           HE1      PHE  17  12.055  -1.718   3.258
  122    HE2  PHE  17           HE2      PHE  17  14.020   0.248   0.052
  123    HZ   PHE  17           HZ       PHE  17  13.965  -0.446   2.401
  124    H    VAL  18           H        VAL  18   9.204  -4.785   0.253
  125    HA   VAL  18           HA       VAL  18  11.689  -5.099   1.578
  126    HB   VAL  18           HB       VAL  18   9.260  -6.884   1.725
  127   HG11  VAL  18          1HG1      VAL  18  11.624  -6.329   3.505
  128   HG12  VAL  18          2HG1      VAL  18  10.080  -6.871   4.206
  129   HG13  VAL  18          3HG1      VAL  18  10.919  -7.886   3.008
  130   HG21  VAL  18          3HG2      VAL  18   9.266  -4.900   3.794
  131   HG22  VAL  18          1HG2      VAL  18   9.363  -4.082   2.217
  132   HG23  VAL  18          2HG2      VAL  18   8.033  -5.217   2.549
  133    H    GLY  19           H        GLY  19  10.030  -6.697  -1.120
  134    HA2  GLY  19           1HA      GLY  19  11.788  -9.002  -1.066
  135    HA3  GLY  19           2HA      GLY  19  10.518  -8.644  -2.221
  136    H    LEU  20           H        LEU  20  12.214  -5.775  -1.916
  137    HA   LEU  20           HA       LEU  20  13.661  -6.332  -4.369
  138    HB2  LEU  20           1HB      LEU  20  12.307  -4.087  -3.204
  139    HB3  LEU  20           2HB      LEU  20  13.968  -3.643  -3.545
  140    HG   LEU  20           HG       LEU  20  13.544  -4.634  -5.900
  141   HD11  LEU  20          1HD1      LEU  20  11.560  -5.524  -6.324
  142   HD12  LEU  20          2HD1      LEU  20  10.985  -5.092  -4.695
  143   HD13  LEU  20          3HD1      LEU  20  10.801  -3.939  -6.039
  144   HD21  LEU  20          3HD2      LEU  20  12.257  -2.055  -4.968
  145   HD22  LEU  20          1HD2      LEU  20  13.922  -2.287  -5.555
  146   HD23  LEU  20          2HD2      LEU  20  12.549  -2.485  -6.671
  147    H    MET  21           H        MET  21  14.164  -5.977  -0.921
  148    HA   MET  21           HA       MET  21  16.866  -5.191  -1.118
  149    HB2  MET  21           1HB      MET  21  14.944  -5.334   0.886
  150    HB3  MET  21           2HB      MET  21  15.941  -6.718   1.292
  151    HG2  MET  21           1HG      MET  21  17.693  -5.409   1.984
  152    HG3  MET  21           2HG      MET  21  17.542  -4.318   0.621
  153    HE1  MET  21           3HE      MET  21  15.436  -4.243   4.632
  154    HE2  MET  21           1HE      MET  21  16.413  -5.524   3.874
  155    HE3  MET  21           2HE      MET  21  17.206  -4.078   4.543
  Start of MODEL   16
    1    H1   ASP   1           H        ASP   1 -15.394  11.398   1.901
    2    HA   ASP   1           HA       ASP   1 -16.903   9.848   0.484
    3    HB2  ASP   1           1HB      ASP   1 -14.362  10.270  -1.041
    4    HB3  ASP   1           2HB      ASP   1 -14.897   8.605  -0.928
    5    HD2  ASP   1           HD2      ASP   1 -14.909  10.921  -2.927
    6    H    ALA   2           H        ALA   2 -16.549   7.485   0.995
    7    HA   ALA   2           HA       ALA   2 -14.777   7.211   3.278
    8    HB1  ALA   2           3HB      ALA   2 -16.767   5.212   2.149
    9    HB2  ALA   2           1HB      ALA   2 -16.090   5.273   3.794
   10    HB3  ALA   2           2HB      ALA   2 -17.232   6.527   3.254
   11    H    GLY   3           H        GLY   3 -14.616   6.838  -0.079
   12    HA2  GLY   3           1HA      GLY   3 -13.226   4.354  -0.253
   13    HA3  GLY   3           2HA      GLY   3 -13.341   5.605  -1.476
   14    H    HIS   4           H        HIS   4 -12.359   7.192   1.315
   15    HA   HIS   4           HA       HIS   4  -9.751   7.558   0.313
   16    HB2  HIS   4           1HB      HIS   4 -11.475   8.694   2.344
   17    HB3  HIS   4           2HB      HIS   4  -9.856   8.472   2.979
   18    HD1  HIS   4           HD1      HIS   4  -7.975   9.293   0.856
   19    HD2  HIS   4           HD2      HIS   4 -11.672  11.213   1.343
   20    HE1  HIS   4           HE1      HIS   4  -7.740  11.585  -0.240
   21    H    GLY   5           H        GLY   5 -11.244   5.190   2.386
   22    HA2  GLY   5           1HA      GLY   5  -8.846   4.498   3.831
   23    HA3  GLY   5           2HA      GLY   5 -10.387   3.663   3.838
   24    H    GLN   6           H        GLN   6 -10.192   3.854   0.670
   25    HA   GLN   6           HA       GLN   6  -9.122   1.255   0.419
   26    HB2  GLN   6           1HB      GLN   6 -10.467   3.252  -1.358
   27    HB3  GLN   6           2HB      GLN   6  -9.463   2.062  -2.163
   28    HG2  GLN   6           1HG      GLN   6 -11.257   0.668  -2.030
   29    HG3  GLN   6           2HG      GLN   6 -10.858   0.494  -0.333
   30   HE21  GLN   6          2HE2      GLN   6 -12.154   1.298   1.195
   31   HE22  GLN   6          1HE2      GLN   6 -13.619   2.181   0.918
   32    H    ILE   7           H        ILE   7  -7.792   4.450   0.349
   33    HA   ILE   7           HA       ILE   7  -5.684   3.900  -1.492
   34    HB   ILE   7           HB       ILE   7  -6.786   6.145  -0.755
   35   HG12  ILE   7          1HG1      ILE   7  -3.832   6.420  -0.983
   36   HG13  ILE   7          2HG1      ILE   7  -4.630   5.501  -2.243
   37   HG21  ILE   7          1HG2      ILE   7  -6.083   5.681   1.679
   38   HG22  ILE   7          2HG2      ILE   7  -4.461   6.195   1.159
   39   HG23  ILE   7          3HG2      ILE   7  -5.835   7.317   1.023
   40   HD11  ILE   7          3HD1      ILE   7  -4.777   8.407  -1.639
   41   HD12  ILE   7          1HD1      ILE   7  -5.003   7.552  -3.185
   42   HD13  ILE   7          2HD1      ILE   7  -6.344   7.650  -2.018
   43    H    SER   8           H        SER   8  -6.383   3.042   1.782
   44    HA   SER   8           HA       SER   8  -3.733   3.018   2.712
   45    HB2  SER   8           1HB      SER   8  -5.907   3.016   4.089
   46    HB3  SER   8           2HB      SER   8  -6.039   1.308   3.726
   47    HG   SER   8           HG       SER   8  -4.712   2.348   5.740
   48    H    HIS   9           H        HIS   9  -5.379   1.149   0.385
   49    HA   HIS   9           HA       HIS   9  -4.036  -1.322   1.001
   50    HB2  HIS   9           1HB      HIS   9  -6.415  -0.889  -0.069
   51    HB3  HIS   9           2HB      HIS   9  -5.505  -0.809  -1.563
   52    HD1  HIS   9           HD1      HIS   9  -3.927  -3.029  -2.045
   53    HD2  HIS   9           HD2      HIS   9  -7.041  -3.437   0.736
   54    HE1  HIS   9           HE1      HIS   9  -4.337  -5.535  -1.794
   55    H    LYS  10           H        LYS  10  -3.020   1.593  -0.183
   56    HA   LYS  10           HA       LYS  10  -1.481   0.571  -2.403
   57    HB2  LYS  10           1HB      LYS  10  -1.067   2.765  -2.944
   58    HB3  LYS  10           2HB      LYS  10  -2.618   2.911  -2.143
   59    HG2  LYS  10           1HG      LYS  10  -1.448   3.482   0.002
   60    HG3  LYS  10           2HG      LYS  10   0.097   3.358  -0.814
   61    HD2  LYS  10           1HD      LYS  10  -0.480   5.215  -2.318
   62    HD3  LYS  10           2HD      LYS  10  -2.115   5.271  -1.691
   63    HE2  LYS  10           1HE      LYS  10  -1.180   6.959  -0.400
   64    HE3  LYS  10           2HE      LYS  10  -0.848   5.601   0.655
   65    HZ1  LYS  10           2HZ      LYS  10   1.274   6.344   0.471
   66    HZ3  LYS  10           1HZ      LYS  10   1.015   7.169  -0.910
   67    H    ARG  11           H        ARG  11  -1.274   0.481   0.969
   68    HA   ARG  11           HA       ARG  11   1.429   1.082   1.290
   69    HB2  ARG  11           1HB      ARG  11   1.072   0.505   3.516
   70    HB3  ARG  11           2HB      ARG  11  -0.599   0.693   3.022
   71    HG2  ARG  11           1HG      ARG  11   0.947  -1.941   3.103
   72    HG3  ARG  11           2HG      ARG  11  -0.267  -1.433   4.262
   73    HD2  ARG  11           1HD      ARG  11  -2.042  -1.778   2.775
   74    HD3  ARG  11           2HD      ARG  11  -1.066  -1.447   1.357
   75    HE   ARG  11           HE       ARG  11   0.096  -3.745   2.218
   76   HH11  ARG  11          2HH2      ARG  11  -3.331  -2.915   1.868
   77   HH12  ARG  11          1HH2      ARG  11  -3.822  -4.546   1.558
   78   HH22  ARG  11          1HH       ARG  11  -2.172  -6.283   1.527
   79    H    HIS  12           H        HIS  12  -0.092  -1.423  -0.403
   80    HA   HIS  12           HA       HIS  12   1.458  -3.631   0.347
   81    HB2  HIS  12           1HB      HIS  12   0.515  -4.720  -1.520
   82    HB3  HIS  12           2HB      HIS  12  -0.724  -3.643  -0.906
   83    HD1  HIS  12           HD1      HIS  12  -0.408  -1.052  -2.241
   84    HD2  HIS  12           HD2      HIS  12   0.528  -4.621  -4.235
   85    HE1  HIS  12           HE1      HIS  12  -0.506  -0.524  -4.735
   86    H    LYS  13           H        LYS  13   2.059  -0.806  -1.678
   87    HA   LYS  13           HA       LYS  13   4.097  -1.857  -3.267
   88    HB2  LYS  13           1HB      LYS  13   3.100   0.829  -2.494
   89    HB3  LYS  13           2HB      LYS  13   4.763   0.765  -3.044
   90    HG2  LYS  13           1HG      LYS  13   4.143  -0.200  -5.162
   91    HG3  LYS  13           2HG      LYS  13   2.537  -0.612  -4.597
   92    HD2  LYS  13           1HD      LYS  13   2.691   2.170  -4.186
   93    HD3  LYS  13           2HD      LYS  13   3.529   1.931  -5.706
   94    HE2  LYS  13           1HE      LYS  13   1.389   0.321  -6.168
   95    HE3  LYS  13           2HE      LYS  13   0.646   1.421  -5.022
   96    HZ1  LYS  13           2HZ      LYS  13   0.757   3.127  -6.507
   97    HZ3  LYS  13           1HZ      LYS  13   0.864   1.956  -7.634
   98    H    THR  14           H        THR  14   3.938  -1.064   0.140
   99    HA   THR  14           HA       THR  14   6.762  -0.705   0.463
  100    HB   THR  14           HB       THR  14   4.704   0.164   1.887
  101    HG1  THR  14           HG1      THR  14   6.266  -0.093   3.774
  102   HG21  THR  14          3HG2      THR  14   5.345  -2.165   3.662
  103   HG22  THR  14          1HG2      THR  14   3.832  -1.241   3.514
  104   HG23  THR  14          2HG2      THR  14   4.222  -2.505   2.324
  105    H    ASP  15           H        ASP  15   4.578  -3.434   0.212
  106    HA   ASP  15           HA       ASP  15   6.233  -5.204   1.644
  107    HB2  ASP  15           1HB      ASP  15   3.967  -5.547  -0.355
  108    HB3  ASP  15           2HB      ASP  15   4.823  -6.939   0.276
  109    HD2  ASP  15           HD2      ASP  15   2.017  -5.229   2.447
  110    H    SER  16           H        SER  16   6.027  -3.933  -1.663
  111    HA   SER  16           HA       SER  16   7.516  -6.021  -2.848
  112    HB2  SER  16           1HB      SER  16   5.943  -4.612  -4.140
  113    HB3  SER  16           2HB      SER  16   6.907  -3.189  -3.803
  114    HG   SER  16           HG       SER  16   7.936  -5.515  -5.186
  115    H    PHE  17           H        PHE  17   8.245  -3.172  -0.958
  116    HA   PHE  17           HA       PHE  17  10.850  -2.736  -2.016
  117    HB2  PHE  17           1HB      PHE  17   8.955  -1.515  -0.272
  118    HB3  PHE  17           2HB      PHE  17  10.285  -1.934   0.791
  119    HD1  PHE  17           HD2      PHE  17  12.477  -0.889   0.513
  120    HD2  PHE  17           HD1      PHE  17   9.218   0.173  -1.989
  121    HE1  PHE  17           HE2      PHE  17  13.715   1.164  -0.228
  122    HE2  PHE  17           HE1      PHE  17  10.456   2.226  -2.730
  123    HZ   PHE  17           HZ       PHE  17  12.691   2.697  -1.841
  124    H    VAL  18           H        VAL  18   9.415  -4.945   0.311
  125    HA   VAL  18           HA       VAL  18  11.774  -5.381   1.827
  126    HB   VAL  18           HB       VAL  18   9.433  -7.249   1.471
  127   HG11  VAL  18          1HG1      VAL  18  10.241  -8.373   3.234
  128   HG12  VAL  18          2HG1      VAL  18  11.757  -7.477   2.967
  129   HG13  VAL  18          3HG1      VAL  18  10.564  -6.878   4.146
  130   HG21  VAL  18          3HG2      VAL  18   9.556  -4.571   2.765
  131   HG22  VAL  18          1HG2      VAL  18   8.180  -5.436   2.035
  132   HG23  VAL  18          2HG2      VAL  18   8.734  -5.865   3.672
  133    H    GLY  19           H        GLY  19  10.443  -6.589  -1.232
  134    HA2  GLY  19           1HA      GLY  19  12.276  -8.831  -1.348
  135    HA3  GLY  19           2HA      GLY  19  11.111  -8.331  -2.557
  136    H    LEU  20           H        LEU  20  12.654  -5.502  -1.658
  137    HA   LEU  20           HA       LEU  20  14.352  -5.644  -4.008
  138    HB2  LEU  20           1HB      LEU  20  12.740  -3.672  -2.779
  139    HB3  LEU  20           2HB      LEU  20  14.397  -3.113  -2.653
  140    HG   LEU  20           HG       LEU  20  13.268  -2.266  -4.661
  141   HD11  LEU  20          1HD1      LEU  20  15.681  -4.030  -4.907
  142   HD12  LEU  20          2HD1      LEU  20  15.009  -3.243  -6.355
  143   HD13  LEU  20          3HD1      LEU  20  15.549  -2.256  -4.976
  144   HD21  LEU  20          3HD2      LEU  20  12.017  -3.509  -6.013
  145   HD22  LEU  20          1HD2      LEU  20  13.319  -4.700  -6.238
  146   HD23  LEU  20          2HD2      LEU  20  12.212  -4.843  -4.852
  147    H    MET  21           H        MET  21  14.505  -5.797  -0.510
  148    HA   MET  21           HA       MET  21  17.250  -5.021  -0.425
  149    HB2  MET  21           1HB      MET  21  15.079  -5.829   1.479
  150    HB3  MET  21           2HB      MET  21  16.696  -6.258   2.001
  151    HG2  MET  21           1HG      MET  21  16.978  -3.616   1.053
  152    HG3  MET  21           2HG      MET  21  15.425  -3.604   1.865
  153    HE1  MET  21           3HE      MET  21  16.022  -5.754   4.631
  154    HE2  MET  21           1HE      MET  21  15.893  -4.139   5.369
  155    HE3  MET  21           2HE      MET  21  14.926  -4.541   3.930
  Start of MODEL   17
    1    H1   ASP   1           H        ASP   1 -17.135   8.482  -1.514
    2    HA   ASP   1           HA       ASP   1 -14.434   8.918  -2.522
    3    HB2  ASP   1           1HB      ASP   1 -15.847  10.142  -0.105
    4    HB3  ASP   1           2HB      ASP   1 -14.175  10.448  -0.534
    5    HD2  ASP   1           HD2      ASP   1 -13.800  11.818  -2.187
    6    H    ALA   2           H        ALA   2 -16.005   6.461  -1.354
    7    HA   ALA   2           HA       ALA   2 -14.936   5.983   1.220
    8    HB1  ALA   2           3HB      ALA   2 -15.678   3.590   0.613
    9    HB2  ALA   2           1HB      ALA   2 -16.935   4.850   0.629
   10    HB3  ALA   2           2HB      ALA   2 -16.258   4.289  -0.918
   11    H    GLY   3           H        GLY   3 -13.472   6.199  -1.826
   12    HA2  GLY   3           1HA      GLY   3 -11.643   4.012  -1.651
   13    HA3  GLY   3           2HA      GLY   3 -11.557   5.398  -2.721
   14    H    HIS   4           H        HIS   4 -12.008   6.684   0.345
   15    HA   HIS   4           HA       HIS   4  -9.367   7.636   0.463
   16    HB2  HIS   4           1HB      HIS   4 -10.124   9.018   2.110
   17    HB3  HIS   4           2HB      HIS   4 -11.644   8.617   1.335
   18    HD1  HIS   4           HD1      HIS   4 -13.248   6.937   2.612
   19    HD2  HIS   4           HD2      HIS   4  -9.831   8.106   4.747
   20    HE1  HIS   4           HE1      HIS   4 -13.660   6.271   5.040
   21    H    GLY   5           H        GLY   5 -10.869   4.689   1.486
   22    HA2  GLY   5           1HA      GLY   5  -9.053   4.177   3.680
   23    HA3  GLY   5           2HA      GLY   5 -10.270   3.104   3.018
   24    H    GLN   6           H        GLN   6  -9.008   3.934   0.203
   25    HA   GLN   6           HA       GLN   6  -7.430   1.617   0.041
   26    HB2  GLN   6           1HB      GLN   6  -8.691   3.456  -1.757
   27    HB3  GLN   6           2HB      GLN   6  -7.001   3.386  -2.211
   28    HG2  GLN   6           1HG      GLN   6  -7.073   1.071  -2.675
   29    HG3  GLN   6           2HG      GLN   6  -8.453   0.797  -1.630
   30   HE21  GLN   6          2HE2      GLN   6 -10.518   1.758  -2.265
   31   HE22  GLN   6          1HE2      GLN   6 -10.935   1.853  -3.944
   32    H    ILE   7           H        ILE   7  -6.799   4.935   0.903
   33    HA   ILE   7           HA       ILE   7  -4.099   5.039   0.064
   34    HB   ILE   7           HB       ILE   7  -5.626   6.615   2.139
   35   HG12  ILE   7          1HG1      ILE   7  -4.908   7.460  -0.672
   36   HG13  ILE   7          2HG1      ILE   7  -6.409   6.635  -0.303
   37   HG21  ILE   7          1HG2      ILE   7  -2.813   6.548   1.543
   38   HG22  ILE   7          2HG2      ILE   7  -3.493   8.127   1.082
   39   HG23  ILE   7          3HG2      ILE   7  -3.696   7.521   2.744
   40   HD11  ILE   7          3HD1      ILE   7  -5.456   9.314   0.789
   41   HD12  ILE   7          1HD1      ILE   7  -6.893   8.990  -0.211
   42   HD13  ILE   7          2HD1      ILE   7  -6.839   8.432   1.478
   43    H    SER   8           H        SER   8  -5.799   3.498   2.707
   44    HA   SER   8           HA       SER   8  -3.453   3.365   4.335
   45    HB2  SER   8           1HB      SER   8  -5.969   3.442   5.083
   46    HB3  SER   8           2HB      SER   8  -5.972   1.723   4.739
   47    HG   SER   8           HG       SER   8  -3.770   2.097   6.181
   48    H    HIS   9           H        HIS   9  -4.822   1.658   1.656
   49    HA   HIS   9           HA       HIS   9  -3.732  -0.894   2.384
   50    HB2  HIS   9           1HB      HIS   9  -5.266   0.219   0.057
   51    HB3  HIS   9           2HB      HIS   9  -4.398  -1.292  -0.139
   52    HD1  HIS   9           HD1      HIS   9  -6.586  -2.674  -0.349
   53    HD2  HIS   9           HD2      HIS   9  -6.216  -0.596   3.277
   54    HE1  HIS   9           HE1      HIS   9  -8.397  -3.597   1.193
   55    H    LYS  10           H        LYS  10  -2.555   2.058   1.088
   56    HA   LYS  10           HA       LYS  10  -0.685   1.049  -0.756
   57    HB2  LYS  10           1HB      LYS  10  -0.030   3.222  -0.997
   58    HB3  LYS  10           2HB      LYS  10  -1.618   3.475  -0.300
   59    HG2  LYS  10           1HG      LYS  10  -0.557   3.618   1.987
   60    HG3  LYS  10           2HG      LYS  10   1.020   3.448   1.243
   61    HD2  LYS  10           1HD      LYS  10   0.055   5.507  -0.263
   62    HD3  LYS  10           2HD      LYS  10  -0.859   5.788   1.205
   63    HE2  LYS  10           1HE      LYS  10   1.479   5.488   2.415
   64    HE3  LYS  10           2HE      LYS  10   2.150   5.799   0.827
   65    HZ1  LYS  10           2HZ      LYS  10   1.923   7.897   1.889
   66    HZ3  LYS  10           1HZ      LYS  10   0.403   7.607   2.395
   67    H    ARG  11           H        ARG  11  -0.900   0.942   2.708
   68    HA   ARG  11           HA       ARG  11   1.812   0.998   3.287
   69    HB2  ARG  11           1HB      ARG  11  -0.707   0.158   4.656
   70    HB3  ARG  11           2HB      ARG  11   0.737  -0.631   5.255
   71    HG2  ARG  11           1HG      ARG  11   1.133   1.231   6.491
   72    HG3  ARG  11           2HG      ARG  11   1.524   2.056   4.996
   73    HD2  ARG  11           1HD      ARG  11  -0.294   3.390   5.249
   74    HD3  ARG  11           2HD      ARG  11  -1.342   1.987   5.172
   75    HE   ARG  11           HE       ARG  11  -0.431   3.366   7.609
   76   HH11  ARG  11          2HH2      ARG  11  -1.893   0.424   6.281
   77   HH12  ARG  11          1HH2      ARG  11  -2.610  -0.047   7.785
   78   HH22  ARG  11          1HH       ARG  11  -2.295   1.332   9.719
   79    H    HIS  12           H        HIS  12  -0.217  -1.370   1.734
   80    HA   HIS  12           HA       HIS  12   1.452  -3.598   2.459
   81    HB2  HIS  12           1HB      HIS  12  -0.934  -3.320   0.615
   82    HB3  HIS  12           2HB      HIS  12  -0.076  -4.826   0.871
   83    HD1  HIS  12           HD1      HIS  12  -2.644  -2.611   2.371
   84    HD2  HIS  12           HD2      HIS  12  -0.311  -5.885   3.567
   85    HE1  HIS  12           HE1      HIS  12  -3.706  -3.502   4.513
   86    H    LYS  13           H        LYS  13   1.263  -1.111   0.004
   87    HA   LYS  13           HA       LYS  13   2.614  -2.563  -2.026
   88    HB2  LYS  13           1HB      LYS  13   1.581   0.163  -1.598
   89    HB3  LYS  13           2HB      LYS  13   3.028   0.098  -2.583
   90    HG2  LYS  13           1HG      LYS  13   1.898  -0.798  -4.342
   91    HG3  LYS  13           2HG      LYS  13   1.188  -2.048  -3.341
   92    HD2  LYS  13           1HD      LYS  13  -0.340  -0.038  -2.458
   93    HD3  LYS  13           2HD      LYS  13   0.121   0.709  -3.974
   94    HE2  LYS  13           1HE      LYS  13  -0.945  -2.139  -3.910
   95    HE3  LYS  13           2HE      LYS  13  -2.043  -0.773  -3.916
   96    HZ1  LYS  13           2HZ      LYS  13  -0.876  -1.868  -6.131
   97    HZ3  LYS  13           1HZ      LYS  13  -0.002  -0.511  -5.914
   98    H    THR  14           H        THR  14   3.557  -0.938   0.929
   99    HA   THR  14           HA       THR  14   6.264  -0.460   0.119
  100    HB   THR  14           HB       THR  14   4.772  -0.449   2.792
  101    HG1  THR  14           HG1      THR  14   5.882   1.515   0.911
  102   HG21  THR  14          3HG2      THR  14   7.325  -0.791   2.999
  103   HG22  THR  14          1HG2      THR  14   7.504   0.766   2.156
  104   HG23  THR  14          2HG2      THR  14   6.690   0.698   3.737
  105    H    ASP  15           H        ASP  15   4.433  -3.204   1.295
  106    HA   ASP  15           HA       ASP  15   6.658  -4.525   2.406
  107    HB2  ASP  15           1HB      ASP  15   3.872  -5.347   1.529
  108    HB3  ASP  15           2HB      ASP  15   5.031  -6.576   1.995
  109    HD2  ASP  15           HD2      ASP  15   3.680  -7.075   3.676
  110    H    SER  16           H        SER  16   5.203  -4.128  -0.805
  111    HA   SER  16           HA       SER  16   6.411  -6.417  -1.935
  112    HB2  SER  16           1HB      SER  16   4.320  -5.125  -2.750
  113    HB3  SER  16           2HB      SER  16   5.435  -3.962  -3.442
  114    HG   SER  16           HG       SER  16   5.288  -6.789  -4.057
  115    H    PHE  17           H        PHE  17   7.431  -3.168  -1.140
  116    HA   PHE  17           HA       PHE  17   9.462  -2.970  -3.121
  117    HB2  PHE  17           1HB      PHE  17   8.457  -1.564  -0.648
  118    HB3  PHE  17           2HB      PHE  17  10.143  -1.272  -1.025
  119    HD1  PHE  17           HD1      PHE  17   6.933  -1.451  -2.943
  120    HD2  PHE  17           HD2      PHE  17  10.537   0.660  -2.196
  121    HE1  PHE  17           HE1      PHE  17   6.257   0.294  -4.615
  122    HE2  PHE  17           HE2      PHE  17   9.861   2.406  -3.869
  123    HZ   PHE  17           HZ       PHE  17   7.730   2.202  -5.059
  124    H    VAL  18           H        VAL  18   9.142  -4.552  -0.002
  125    HA   VAL  18           HA       VAL  18  11.882  -4.528   0.689
  126    HB   VAL  18           HB       VAL  18   9.838  -6.589   1.499
  127   HG11  VAL  18          1HG1      VAL  18  11.590  -7.255   2.732
  128   HG12  VAL  18          2HG1      VAL  18  12.498  -5.758   2.409
  129   HG13  VAL  18          3HG1      VAL  18  11.293  -5.802   3.718
  130   HG21  VAL  18          3HG2      VAL  18   9.403  -4.884   3.422
  131   HG22  VAL  18          1HG2      VAL  18  10.005  -3.679   2.259
  132   HG23  VAL  18          2HG2      VAL  18   8.578  -4.665   1.861
  133    H    GLY  19           H        GLY  19   9.844  -6.477  -1.465
  134    HA2  GLY  19           1HA      GLY  19  11.811  -8.586  -1.724
  135    HA3  GLY  19           2HA      GLY  19  10.288  -8.426  -2.575
  136    H    LEU  20           H        LEU  20  11.666  -5.393  -2.794
  137    HA   LEU  20           HA       LEU  20  12.608  -5.974  -5.477
  138    HB2  LEU  20           1HB      LEU  20  11.219  -3.848  -4.204
  139    HB3  LEU  20           2HB      LEU  20  12.742  -3.204  -4.783
  140    HG   LEU  20           HG       LEU  20  10.953  -2.910  -6.419
  141   HD11  LEU  20          1HD1      LEU  20  12.341  -4.770  -8.074
  142   HD12  LEU  20          2HD1      LEU  20  12.546  -3.006  -7.954
  143   HD13  LEU  20          3HD1      LEU  20  13.499  -4.085  -6.908
  144   HD21  LEU  20          3HD2      LEU  20   9.690  -4.612  -7.371
  145   HD22  LEU  20          1HD2      LEU  20  10.823  -5.884  -6.855
  146   HD23  LEU  20          2HD2      LEU  20   9.777  -5.085  -5.657
  147    H    MET  21           H        MET  21  13.795  -5.312  -2.247
  148    HA   MET  21           HA       MET  21  16.347  -4.447  -3.233
  149    HB2  MET  21           1HB      MET  21  14.859  -4.505  -0.681
  150    HB3  MET  21           2HB      MET  21  16.512  -5.043  -0.454
  151    HG2  MET  21           1HG      MET  21  16.970  -2.798  -0.299
  152    HG3  MET  21           2HG      MET  21  16.955  -2.856  -2.050
  153    HE1  MET  21           3HE      MET  21  16.676  -0.350  -0.704
  154    HE2  MET  21           1HE      MET  21  15.065   0.398  -0.603
  155    HE3  MET  21           2HE      MET  21  15.642  -0.652   0.713
  Start of MODEL   18
    1    H1   ASP   1           H        ASP   1 -15.654   8.469   2.147
    2    HA   ASP   1           HA       ASP   1 -15.340   8.584   4.317
    3    HB2  ASP   1           1HB      ASP   1 -17.855   7.081   4.252
    4    HB3  ASP   1           2HB      ASP   1 -16.827   6.490   5.542
    5    HD2  ASP   1           HD2      ASP   1 -17.583   7.533   7.395
    6    H    ALA   2           H        ALA   2 -16.059   5.223   3.122
    7    HA   ALA   2           HA       ALA   2 -13.818   4.179   4.646
    8    HB1  ALA   2           3HB      ALA   2 -16.315   3.184   3.520
    9    HB2  ALA   2           1HB      ALA   2 -14.940   2.162   3.035
   10    HB3  ALA   2           2HB      ALA   2 -15.264   2.459   4.760
   11    H    GLY   3           H        GLY   3 -14.324   5.748   1.696
   12    HA2  GLY   3           1HA      GLY   3 -12.678   4.168  -0.017
   13    HA3  GLY   3           2HA      GLY   3 -13.217   5.816  -0.272
   14    H    HIS   4           H        HIS   4 -11.892   5.797   2.810
   15    HA   HIS   4           HA       HIS   4  -9.651   7.272   1.992
   16    HB2  HIS   4           1HB      HIS   4 -10.446   7.904   4.054
   17    HB3  HIS   4           2HB      HIS   4 -10.760   6.261   4.573
   18    HD1  HIS   4           HD1      HIS   4  -8.951   5.077   5.922
   19    HD2  HIS   4           HD2      HIS   4  -7.645   8.688   4.234
   20    HE1  HIS   4           HE1      HIS   4  -6.660   5.555   6.940
   21    H    GLY   5           H        GLY   5 -10.275   3.921   1.988
   22    HA2  GLY   5           1HA      GLY   5  -7.570   3.082   2.616
   23    HA3  GLY   5           2HA      GLY   5  -8.923   2.077   2.136
   24    H    GLN   6           H        GLN   6  -9.425   4.160  -0.168
   25    HA   GLN   6           HA       GLN   6  -8.268   2.688  -2.157
   26    HB2  GLN   6           1HB      GLN   6 -10.142   4.615  -2.099
   27    HB3  GLN   6           2HB      GLN   6  -8.803   5.613  -2.629
   28    HG2  GLN   6           1HG      GLN   6  -9.627   4.871  -4.687
   29    HG3  GLN   6           2HG      GLN   6  -8.388   3.669  -4.383
   30   HE21  GLN   6          2HE2      GLN   6  -8.949   1.607  -3.643
   31   HE22  GLN   6          1HE2      GLN   6 -10.536   0.945  -3.847
   32    H    ILE   7           H        ILE   7  -6.965   5.356  -0.221
   33    HA   ILE   7           HA       ILE   7  -4.733   5.737  -2.018
   34    HB   ILE   7           HB       ILE   7  -4.021   7.314  -0.151
   35   HG12  ILE   7          1HG1      ILE   7  -5.897   6.010   1.346
   36   HG13  ILE   7          2HG1      ILE   7  -5.224   7.585   1.718
   37   HG21  ILE   7          1HG2      ILE   7  -6.671   7.838  -1.523
   38   HG22  ILE   7          2HG2      ILE   7  -5.524   9.055  -0.911
   39   HG23  ILE   7          3HG2      ILE   7  -5.067   8.007  -2.276
   40   HD11  ILE   7          3HD1      ILE   7  -7.083   8.689   0.484
   41   HD12  ILE   7          1HD1      ILE   7  -7.765   7.091   0.097
   42   HD13  ILE   7          2HD1      ILE   7  -7.698   7.645   1.787
   43    H    SER   8           H        SER   8  -5.613   3.899   0.868
   44    HA   SER   8           HA       SER   8  -2.940   3.428   1.648
   45    HB2  SER   8           1HB      SER   8  -5.549   2.944   2.691
   46    HB3  SER   8           2HB      SER   8  -4.790   1.370   2.551
   47    HG   SER   8           HG       SER   8  -4.357   3.278   4.426
   48    H    HIS   9           H        HIS   9  -5.062   2.191  -0.814
   49    HA   HIS   9           HA       HIS   9  -3.987  -0.424  -0.937
   50    HB2  HIS   9           1HB      HIS   9  -6.130  -0.203  -1.820
   51    HB3  HIS   9           2HB      HIS   9  -5.743   1.271  -2.688
   52    HD1  HIS   9           HD1      HIS   9  -5.718   0.886  -5.145
   53    HD2  HIS   9           HD2      HIS   9  -4.321  -2.455  -3.027
   54    HE1  HIS   9           HE1      HIS   9  -5.123  -0.873  -6.896
   55    H    LYS  10           H        LYS  10  -2.881   2.731  -1.889
   56    HA   LYS  10           HA       LYS  10  -1.186   1.740  -3.996
   57    HB2  LYS  10           1HB      LYS  10  -1.602   4.449  -2.719
   58    HB3  LYS  10           2HB      LYS  10  -0.343   4.156  -3.901
   59    HG2  LYS  10           1HG      LYS  10  -3.240   3.399  -4.450
   60    HG3  LYS  10           2HG      LYS  10  -2.643   5.015  -4.770
   61    HD2  LYS  10           1HD      LYS  10  -0.709   3.251  -5.898
   62    HD3  LYS  10           2HD      LYS  10  -2.267   2.576  -6.331
   63    HE2  LYS  10           1HE      LYS  10  -2.767   5.212  -6.858
   64    HE3  LYS  10           2HE      LYS  10  -1.038   5.189  -7.140
   65    HZ1  LYS  10           2HZ      LYS  10  -1.806   2.978  -8.455
   66    HZ3  LYS  10           1HZ      LYS  10  -1.685   4.436  -9.169
   67    H    ARG  11           H        ARG  11  -1.121   2.084  -0.525
   68    HA   ARG  11           HA       ARG  11   1.650   2.390  -0.288
   69    HB2  ARG  11           1HB      ARG  11  -0.671   1.903   1.492
   70    HB3  ARG  11           2HB      ARG  11   0.792   1.130   2.068
   71    HG2  ARG  11           1HG      ARG  11   1.458   3.138   2.884
   72    HG3  ARG  11           2HG      ARG  11   1.641   3.696   1.234
   73    HD2  ARG  11           1HD      ARG  11  -0.972   4.130   1.360
   74    HD3  ARG  11           2HD      ARG  11  -0.729   4.056   3.094
   75    HE   ARG  11           HE       ARG  11   0.424   6.105   3.015
   76   HH11  ARG  11          2HH2      ARG  11   0.039   4.847  -0.275
   77   HH12  ARG  11          1HH2      ARG  11   0.589   6.306  -1.030
   78   HH22  ARG  11          1HH       ARG  11   1.237   8.163   0.339
   79    H    HIS  12           H        HIS  12  -0.217  -0.171  -1.459
   80    HA   HIS  12           HA       HIS  12   1.006  -2.371  -0.228
   81    HB2  HIS  12           1HB      HIS  12  -0.502  -1.992  -2.817
   82    HB3  HIS  12           2HB      HIS  12   0.158  -3.548  -2.355
   83    HD1  HIS  12           HD1      HIS  12  -1.956  -0.887  -0.546
   84    HD2  HIS  12           HD2      HIS  12  -1.752  -5.037  -1.122
   85    HE1  HIS  12           HE1      HIS  12  -3.919  -1.885   0.744
   86    H    LYS  13           H        LYS  13   2.203   0.007  -2.400
   87    HA   LYS  13           HA       LYS  13   4.010  -1.684  -3.816
   88    HB2  LYS  13           1HB      LYS  13   4.878   0.371  -4.733
   89    HB3  LYS  13           2HB      LYS  13   3.128   0.429  -4.736
   90    HG2  LYS  13           1HG      LYS  13   3.165   2.320  -3.489
   91    HG3  LYS  13           2HG      LYS  13   4.005   1.476  -2.203
   92    HD2  LYS  13           1HD      LYS  13   5.642   3.033  -2.668
   93    HD3  LYS  13           2HD      LYS  13   6.114   1.837  -3.857
   94    HE2  LYS  13           1HE      LYS  13   4.741   3.014  -5.589
   95    HE3  LYS  13           2HE      LYS  13   4.260   4.208  -4.399
   96    HZ1  LYS  13           2HZ      LYS  13   6.453   5.030  -4.274
   97    HZ3  LYS  13           1HZ      LYS  13   6.262   4.760  -5.869
   98    H    THR  14           H        THR  14   3.902  -0.159  -0.666
   99    HA   THR  14           HA       THR  14   6.744  -0.104  -0.297
  100    HB   THR  14           HB       THR  14   4.278   0.253   1.469
  101    HG1  THR  14           HG1      THR  14   5.406   2.436   1.432
  102   HG21  THR  14          3HG2      THR  14   6.318  -0.678   2.772
  103   HG22  THR  14          1HG2      THR  14   7.177   0.797   2.268
  104   HG23  THR  14          2HG2      THR  14   5.725   0.918   3.290
  105    H    ASP  15           H        ASP  15   4.221  -2.525  -0.080
  106    HA   ASP  15           HA       ASP  15   5.584  -4.139   1.780
  107    HB2  ASP  15           1HB      ASP  15   3.251  -4.431  -0.100
  108    HB3  ASP  15           2HB      ASP  15   3.991  -5.912   0.476
  109    HD2  ASP  15           HD2      ASP  15   2.174  -6.419   2.333
  110    H    SER  16           H        SER  16   5.603  -3.628  -1.742
  111    HA   SER  16           HA       SER  16   6.791  -6.070  -2.421
  112    HB2  SER  16           1HB      SER  16   7.022  -5.144  -4.612
  113    HB3  SER  16           2HB      SER  16   5.549  -4.451  -3.963
  114    HG   SER  16           HG       SER  16   8.151  -3.183  -4.071
  115    H    PHE  17           H        PHE  17   7.970  -3.028  -1.094
  116    HA   PHE  17           HA       PHE  17  10.663  -3.358  -1.945
  117    HB2  PHE  17           1HB      PHE  17   8.967  -1.417  -0.730
  118    HB3  PHE  17           2HB      PHE  17  10.120  -1.805   0.532
  119    HD1  PHE  17           HD2      PHE  17  10.101  -1.002  -3.119
  120    HD2  PHE  17           HD1      PHE  17  12.059  -0.566   0.620
  121    HE1  PHE  17           HE2      PHE  17  11.777   0.539  -4.176
  122    HE2  PHE  17           HE1      PHE  17  13.734   0.975  -0.436
  123    HZ   PHE  17           HZ       PHE  17  13.574   1.510  -2.822
  124    H    VAL  18           H        VAL  18   8.674  -4.620   0.664
  125    HA   VAL  18           HA       VAL  18  10.765  -5.089   2.506
  126    HB   VAL  18           HB       VAL  18   8.106  -6.495   2.186
  127   HG11  VAL  18          1HG1      VAL  18   8.350  -7.327   4.321
  128   HG12  VAL  18          2HG1      VAL  18  10.040  -7.363   3.763
  129   HG13  VAL  18          3HG1      VAL  18   9.479  -6.041   4.814
  130   HG21  VAL  18          3HG2      VAL  18   7.027  -4.774   3.223
  131   HG22  VAL  18          1HG2      VAL  18   8.464  -4.279   4.149
  132   HG23  VAL  18          2HG2      VAL  18   8.314  -3.831   2.432
  133    H    GLY  19           H        GLY  19   9.522  -6.760  -0.372
  134    HA2  GLY  19           1HA      GLY  19  10.935  -9.217   0.223
  135    HA3  GLY  19           2HA      GLY  19  10.000  -8.834  -1.208
  136    H    LEU  20           H        LEU  20  11.926  -6.143  -0.730
  137    HA   LEU  20           HA       LEU  20  13.794  -7.080  -2.745
  138    HB2  LEU  20           1HB      LEU  20  12.431  -4.673  -2.226
  139    HB3  LEU  20           2HB      LEU  20  14.125  -4.333  -1.934
  140    HG   LEU  20           HG       LEU  20  14.649  -5.261  -4.206
  141   HD11  LEU  20          1HD1      LEU  20  12.575  -6.652  -4.376
  142   HD12  LEU  20          2HD1      LEU  20  11.657  -5.154  -4.662
  143   HD13  LEU  20          3HD1      LEU  20  12.922  -5.658  -5.811
  144   HD21  LEU  20          3HD2      LEU  20  14.697  -3.101  -4.700
  145   HD22  LEU  20          1HD2      LEU  20  12.981  -3.194  -5.162
  146   HD23  LEU  20          2HD2      LEU  20  13.432  -2.755  -3.497
  147    H    MET  21           H        MET  21  13.573  -6.454   0.694
  148    HA   MET  21           HA       MET  21  16.317  -5.953   1.073
  149    HB2  MET  21           1HB      MET  21  14.013  -5.740   2.592
  150    HB3  MET  21           2HB      MET  21  14.699  -7.200   3.277
  151    HG2  MET  21           1HG      MET  21  15.733  -5.578   4.610
  152    HG3  MET  21           2HG      MET  21  16.947  -5.784   3.363
  153    HE1  MET  21           3HE      MET  21  16.168  -3.216   5.396
  154    HE2  MET  21           1HE      MET  21  17.681  -3.357   4.469
  155    HE3  MET  21           2HE      MET  21  16.680  -1.893   4.321
  Start of MODEL   19
    1    H1   ASP   1           H        ASP   1 -17.404  10.056   0.966
    2    HA   ASP   1           HA       ASP   1 -15.039   9.588  -0.454
    3    HB2  ASP   1           1HB      ASP   1 -15.493  10.838   2.296
    4    HB3  ASP   1           2HB      ASP   1 -13.993  10.945   1.397
    5    HD2  ASP   1           HD2      ASP   1 -14.791  12.181  -1.108
    6    H    ALA   2           H        ALA   2 -16.543   7.295   1.078
    7    HA   ALA   2           HA       ALA   2 -14.854   6.522   3.212
    8    HB1  ALA   2           3HB      ALA   2 -16.100   4.227   2.444
    9    HB2  ALA   2           1HB      ALA   2 -16.878   5.489   3.431
   10    HB3  ALA   2           2HB      ALA   2 -17.159   5.433   1.673
   11    H    GLY   3           H        GLY   3 -14.323   6.727  -0.127
   12    HA2  GLY   3           1HA      GLY   3 -12.861   4.308  -0.545
   13    HA3  GLY   3           2HA      GLY   3 -12.889   5.734  -1.564
   14    H    HIS   4           H        HIS   4 -12.237   6.877   1.522
   15    HA   HIS   4           HA       HIS   4  -9.581   7.489   0.878
   16    HB2  HIS   4           1HB      HIS   4  -9.561   8.186   3.373
   17    HB3  HIS   4           2HB      HIS   4 -10.587   9.049   2.243
   18    HD1  HIS   4           HD1      HIS   4 -12.377   9.766   3.921
   19    HD2  HIS   4           HD2      HIS   4 -11.722   5.624   3.868
   20    HE1  HIS   4           HE1      HIS   4 -14.240   8.730   5.322
   21    H    GLY   5           H        GLY   5 -11.063   4.631   2.104
   22    HA2  GLY   5           1HA      GLY   5  -8.822   3.731   3.681
   23    HA3  GLY   5           2HA      GLY   5 -10.262   2.832   3.246
   24    H    GLN   6           H        GLN   6  -9.652   3.867   0.294
   25    HA   GLN   6           HA       GLN   6  -8.350   1.484  -0.448
   26    HB2  GLN   6           1HB      GLN   6  -9.377   3.921  -1.916
   27    HB3  GLN   6           2HB      GLN   6  -8.384   2.756  -2.770
   28    HG2  GLN   6           1HG      GLN   6 -10.978   2.134  -1.279
   29    HG3  GLN   6           2HG      GLN   6 -10.795   2.222  -3.020
   30   HE21  GLN   6          2HE2      GLN   6 -11.058   0.172  -0.529
   31   HE22  GLN   6          1HE2      GLN   6 -10.215  -1.222  -1.117
   32    H    ILE   7           H        ILE   7  -7.302   4.708   0.410
   33    HA   ILE   7           HA       ILE   7  -4.914   4.756  -1.088
   34    HB   ILE   7           HB       ILE   7  -5.758   6.196   1.428
   35   HG12  ILE   7          1HG1      ILE   7  -7.114   6.522  -0.698
   36   HG13  ILE   7          2HG1      ILE   7  -6.464   7.966   0.054
   37   HG21  ILE   7          1HG2      ILE   7  -3.250   6.011   1.045
   38   HG22  ILE   7          2HG2      ILE   7  -3.504   6.997  -0.416
   39   HG23  ILE   7          3HG2      ILE   7  -3.923   7.653   1.185
   40   HD11  ILE   7          3HD1      ILE   7  -4.954   8.359  -1.656
   41   HD12  ILE   7          1HD1      ILE   7  -4.728   6.626  -1.996
   42   HD13  ILE   7          2HD1      ILE   7  -6.184   7.467  -2.584
   43    H    SER   8           H        SER   8  -5.955   3.036   1.773
   44    HA   SER   8           HA       SER   8  -3.429   2.745   2.934
   45    HB2  SER   8           1HB      SER   8  -6.125   1.902   3.448
   46    HB3  SER   8           2HB      SER   8  -5.122   0.465   3.488
   47    HG   SER   8           HG       SER   8  -3.649   2.008   4.880
   48    H    HIS   9           H        HIS   9  -4.986   1.341   0.140
   49    HA   HIS   9           HA       HIS   9  -3.646  -1.132   0.140
   50    HB2  HIS   9           1HB      HIS   9  -5.729  -0.134  -1.219
   51    HB3  HIS   9           2HB      HIS   9  -4.485   0.155  -2.418
   52    HD1  HIS   9           HD1      HIS   9  -5.615  -1.655  -3.966
   53    HD2  HIS   9           HD2      HIS   9  -4.119  -3.126  -0.334
   54    HE1  HIS   9           HE1      HIS   9  -5.560  -4.196  -4.192
   55    H    LYS  10           H        LYS  10  -2.651   2.141  -0.495
   56    HA   LYS  10           HA       LYS  10  -0.591   1.541  -2.343
   57    HB2  LYS  10           1HB      LYS  10  -1.832   3.807  -1.592
   58    HB3  LYS  10           2HB      LYS  10  -0.408   3.937  -0.581
   59    HG2  LYS  10           1HG      LYS  10   0.888   4.495  -2.358
   60    HG3  LYS  10           2HG      LYS  10   0.386   3.068  -3.242
   61    HD2  LYS  10           1HD      LYS  10  -1.766   4.304  -3.853
   62    HD3  LYS  10           2HD      LYS  10  -1.082   5.742  -3.124
   63    HE2  LYS  10           1HE      LYS  10   0.455   6.057  -4.833
   64    HE3  LYS  10           2HE      LYS  10   0.670   4.340  -5.107
   65    HZ1  LYS  10           2HZ      LYS  10  -0.624   5.666  -6.858
   66    HZ3  LYS  10           1HZ      LYS  10  -1.879   5.655  -5.821
   67    H    ARG  11           H        ARG  11  -1.002   1.138   1.102
   68    HA   ARG  11           HA       ARG  11   1.712   1.311   1.762
   69    HB2  ARG  11           1HB      ARG  11  -0.634  -0.086   3.142
   70    HB3  ARG  11           2HB      ARG  11   0.952   0.076   3.869
   71    HG2  ARG  11           1HG      ARG  11  -0.654   2.473   2.878
   72    HG3  ARG  11           2HG      ARG  11  -0.773   1.868   4.518
   73    HD2  ARG  11           1HD      ARG  11   1.453   2.474   5.053
   74    HD3  ARG  11           2HD      ARG  11   1.968   2.471   3.378
   75    HE   ARG  11           HE       ARG  11   0.714   4.685   4.806
   76   HH11  ARG  11          2HH2      ARG  11   1.210   3.274   1.594
   77   HH12  ARG  11          1HH2      ARG  11   0.979   4.775   0.763
   78   HH22  ARG  11          1HH       ARG  11   0.509   6.758   2.025
   79    H    HIS  12           H        HIS  12  -0.294  -1.109   0.224
   80    HA   HIS  12           HA       HIS  12   1.175  -3.381   1.011
   81    HB2  HIS  12           1HB      HIS  12  -0.847  -2.759  -1.121
   82    HB3  HIS  12           2HB      HIS  12   0.029  -4.276  -1.181
   83    HD1  HIS  12           HD1      HIS  12  -2.034  -2.312   1.396
   84    HD2  HIS  12           HD2      HIS  12  -1.172  -6.257   0.262
   85    HE1  HIS  12           HE1      HIS  12  -3.480  -3.812   2.869
   86    H    LYS  13           H        LYS  13   1.712  -0.782  -1.272
   87    HA   LYS  13           HA       LYS  13   3.418  -2.233  -3.013
   88    HB2  LYS  13           1HB      LYS  13   2.608   0.608  -2.609
   89    HB3  LYS  13           2HB      LYS  13   4.124   0.325  -3.440
   90    HG2  LYS  13           1HG      LYS  13   2.737   0.174  -5.277
   91    HG3  LYS  13           2HG      LYS  13   2.622  -1.497  -4.762
   92    HD2  LYS  13           1HD      LYS  13   0.466  -1.242  -3.909
   93    HD3  LYS  13           2HD      LYS  13   0.706   0.442  -3.493
   94    HE2  LYS  13           1HE      LYS  13  -0.704   0.664  -5.343
   95    HE3  LYS  13           2HE      LYS  13   0.860   0.788  -6.124
   96    HZ1  LYS  13           2HZ      LYS  13  -0.798  -1.670  -5.947
   97    HZ3  LYS  13           1HZ      LYS  13   0.711  -1.648  -6.560
   98    H    THR  14           H        THR  14   3.730  -0.810   0.171
   99    HA   THR  14           HA       THR  14   6.574  -0.486   0.042
  100    HB   THR  14           HB       THR  14   4.519  -0.512   2.313
  101    HG1  THR  14           HG1      THR  14   4.285   1.320   0.979
  102   HG21  THR  14          3HG2      THR  14   7.503   0.097   2.236
  103   HG22  THR  14          1HG2      THR  14   6.432   0.929   3.388
  104   HG23  THR  14          2HG2      THR  14   6.600  -0.841   3.449
  105    H    ASP  15           H        ASP  15   4.362  -3.145   0.597
  106    HA   ASP  15           HA       ASP  15   6.183  -4.665   2.114
  107    HB2  ASP  15           1HB      ASP  15   3.636  -5.243   0.573
  108    HB3  ASP  15           2HB      ASP  15   4.581  -6.577   1.204
  109    HD2  ASP  15           HD2      ASP  15   2.211  -6.294   3.502
  110    H    SER  16           H        SER  16   5.553  -4.026  -1.318
  111    HA   SER  16           HA       SER  16   6.859  -6.342  -2.270
  112    HB2  SER  16           1HB      SER  16   5.236  -4.321  -3.356
  113    HB3  SER  16           2HB      SER  16   6.785  -4.063  -4.130
  114    HG   SER  16           HG       SER  16   6.200  -5.661  -5.426
  115    H    PHE  17           H        PHE  17   7.848  -3.211  -1.067
  116    HA   PHE  17           HA       PHE  17  10.298  -3.069  -2.505
  117    HB2  PHE  17           1HB      PHE  17   8.655  -1.479  -0.805
  118    HB3  PHE  17           2HB      PHE  17  10.107  -1.731   0.143
  119    HD1  PHE  17           HD1      PHE  17   9.247  -0.888  -3.400
  120    HD2  PHE  17           HD2      PHE  17  11.713  -0.099  -0.038
  121    HE1  PHE  17           HE1      PHE  17  10.395   0.945  -4.673
  122    HE2  PHE  17           HE2      PHE  17  12.861   1.734  -1.311
  123    HZ   PHE  17           HZ       PHE  17  12.189   2.234  -3.613
  124    H    VAL  18           H        VAL  18   9.158  -4.759   0.355
  125    HA   VAL  18           HA       VAL  18  11.643  -4.955   1.676
  126    HB   VAL  18           HB       VAL  18   9.354  -6.910   1.825
  127   HG11  VAL  18          1HG1      VAL  18  10.254  -7.614   3.775
  128   HG12  VAL  18          2HG1      VAL  18  11.753  -6.913   3.119
  129   HG13  VAL  18          3HG1      VAL  18  10.755  -5.976   4.258
  130   HG21  VAL  18          3HG2      VAL  18   8.165  -4.919   2.028
  131   HG22  VAL  18          1HG2      VAL  18   8.575  -5.298   3.717
  132   HG23  VAL  18          2HG2      VAL  18   9.512  -4.073   2.828
  133    H    GLY  19           H        GLY  19  10.102  -6.656  -1.030
  134    HA2  GLY  19           1HA      GLY  19  11.970  -8.867  -0.946
  135    HA3  GLY  19           2HA      GLY  19  10.711  -8.568  -2.127
  136    H    LEU  20           H        LEU  20  12.245  -5.619  -1.805
  137    HA   LEU  20           HA       LEU  20  13.783  -6.115  -4.215
  138    HB2  LEU  20           1HB      LEU  20  12.241  -3.968  -3.158
  139    HB3  LEU  20           2HB      LEU  20  13.889  -3.402  -3.343
  140    HG   LEU  20           HG       LEU  20  13.813  -4.255  -5.729
  141   HD11  LEU  20          1HD1      LEU  20  11.889  -4.995  -6.735
  142   HD12  LEU  20          2HD1      LEU  20  11.696  -5.686  -5.105
  143   HD13  LEU  20          3HD1      LEU  20  10.825  -4.198  -5.550
  144   HD21  LEU  20          3HD2      LEU  20  12.638  -2.296  -6.566
  145   HD22  LEU  20          1HD2      LEU  20  11.850  -2.068  -4.986
  146   HD23  LEU  20          2HD2      LEU  20  13.613  -1.879  -5.136
  147    H    MET  21           H        MET  21  14.176  -5.700  -0.758
  148    HA   MET  21           HA       MET  21  16.817  -4.746  -0.864
  149    HB2  MET  21           1HB      MET  21  15.133  -6.168   1.260
  150    HB3  MET  21           2HB      MET  21  16.772  -5.645   1.591
  151    HG2  MET  21           1HG      MET  21  15.166  -3.506   0.344
  152    HG3  MET  21           2HG      MET  21  14.447  -4.077   1.836
  153    HE1  MET  21           3HE      MET  21  17.835  -1.910   0.573
  154    HE2  MET  21           1HE      MET  21  16.079  -1.692   0.378
  155    HE3  MET  21           2HE      MET  21  16.947  -0.826   1.668
  Start of MODEL   20
    1    H1   ASP   1           H        ASP   1 -18.294   6.544  -0.872
    2    HA   ASP   1           HA       ASP   1 -15.864   7.414  -1.558
    3    HB2  ASP   1           1HB      ASP   1 -17.131   7.562   1.218
    4    HB3  ASP   1           2HB      ASP   1 -15.828   8.597   0.669
    5    HD2  ASP   1           HD2      ASP   1 -19.091   9.069   1.093
    6    H    ALA   2           H        ALA   2 -16.096   4.382  -0.772
    7    HA   ALA   2           HA       ALA   2 -14.438   4.017   1.492
    8    HB1  ALA   2           3HB      ALA   2 -14.344   1.770  -0.285
    9    HB2  ALA   2           1HB      ALA   2 -15.279   1.954   1.217
   10    HB3  ALA   2           2HB      ALA   2 -15.989   2.447  -0.338
   11    H    GLY   3           H        GLY   3 -13.806   5.277  -1.588
   12    HA2  GLY   3           1HA      GLY   3 -11.278   4.055  -2.112
   13    HA3  GLY   3           2HA      GLY   3 -11.949   5.493  -2.857
   14    H    HIS   4           H        HIS   4 -12.246   5.998   0.447
   15    HA   HIS   4           HA       HIS   4  -9.960   7.747   0.413
   16    HB2  HIS   4           1HB      HIS   4 -12.510   7.576   1.801
   17    HB3  HIS   4           2HB      HIS   4 -11.198   7.864   2.929
   18    HD1  HIS   4           HD1      HIS   4  -9.494   9.946   2.045
   19    HD2  HIS   4           HD2      HIS   4 -13.463   9.876   0.692
   20    HE1  HIS   4           HE1      HIS   4 -10.016  12.310   1.240
   21    H    GLY   5           H        GLY   5 -10.813   4.549   1.507
   22    HA2  GLY   5           1HA      GLY   5  -8.822   4.461   3.612
   23    HA3  GLY   5           2HA      GLY   5  -9.857   3.161   3.056
   24    H    GLN   6           H        GLN   6  -8.948   4.077   0.144
   25    HA   GLN   6           HA       GLN   6  -7.068   2.060  -0.142
   26    HB2  GLN   6           1HB      GLN   6  -8.406   4.052  -1.839
   27    HB3  GLN   6           2HB      GLN   6  -6.761   3.755  -2.366
   28    HG2  GLN   6           1HG      GLN   6  -7.287   1.688  -3.157
   29    HG3  GLN   6           2HG      GLN   6  -8.083   1.238  -1.662
   30   HE21  GLN   6          2HE2      GLN   6 -10.270   1.658  -1.355
   31   HE22  GLN   6          1HE2      GLN   6 -11.358   1.982  -2.663
   32    H    ILE   7           H        ILE   7  -6.788   5.416   0.817
   33    HA   ILE   7           HA       ILE   7  -4.147   5.868  -0.033
   34    HB   ILE   7           HB       ILE   7  -4.279   7.842   1.130
   35   HG12  ILE   7          1HG1      ILE   7  -6.264   7.845   3.030
   36   HG13  ILE   7          2HG1      ILE   7  -5.624   6.221   3.192
   37   HG21  ILE   7          1HG2      ILE   7  -7.194   7.738   1.149
   38   HG22  ILE   7          2HG2      ILE   7  -6.084   8.707   0.152
   39   HG23  ILE   7          3HG2      ILE   7  -6.491   7.043  -0.331
   40   HD11  ILE   7          3HD1      ILE   7  -3.714   8.563   2.999
   41   HD12  ILE   7          1HD1      ILE   7  -4.508   8.182   4.546
   42   HD13  ILE   7          2HD1      ILE   7  -3.463   6.973   3.760
   43    H    SER   8           H        SER   8  -5.556   3.936   2.519
   44    HA   SER   8           HA       SER   8  -3.150   3.963   4.068
   45    HB2  SER   8           1HB      SER   8  -5.717   3.613   4.784
   46    HB3  SER   8           2HB      SER   8  -5.332   1.929   4.488
   47    HG   SER   8           HG       SER   8  -4.756   2.166   6.597
   48    H    HIS   9           H        HIS   9  -4.552   2.197   1.392
   49    HA   HIS   9           HA       HIS   9  -3.104  -0.213   1.863
   50    HB2  HIS   9           1HB      HIS   9  -5.029   0.833  -0.112
   51    HB3  HIS   9           2HB      HIS   9  -3.845  -0.271  -0.780
   52    HD1  HIS   9           HD1      HIS   9  -6.291  -0.175   2.175
   53    HD2  HIS   9           HD2      HIS   9  -4.516  -2.903  -0.471
   54    HE1  HIS   9           HE1      HIS   9  -7.339  -2.446   2.680
   55    H    LYS  10           H        LYS  10  -2.426   2.930   0.520
   56    HA   LYS  10           HA       LYS  10  -0.447   2.160  -1.328
   57    HB2  LYS  10           1HB      LYS  10  -0.097   4.417  -1.627
   58    HB3  LYS  10           2HB      LYS  10  -1.748   4.398  -1.040
   59    HG2  LYS  10           1HG      LYS  10  -0.765   6.068   0.300
   60    HG3  LYS  10           2HG      LYS  10  -0.687   4.664   1.345
   61    HD2  LYS  10           1HD      LYS  10   1.606   4.548   1.249
   62    HD3  LYS  10           2HD      LYS  10   1.659   4.938  -0.459
   63    HE2  LYS  10           1HE      LYS  10   0.889   7.359   0.403
   64    HE3  LYS  10           2HE      LYS  10   1.588   6.809   1.913
   65    HZ1  LYS  10           2HZ      LYS  10   2.954   7.180  -0.675
   66    HZ3  LYS  10           1HZ      LYS  10   3.600   6.181   0.438
   67    H    ARG  11           H        ARG  11  -0.602   1.906   2.068
   68    HA   ARG  11           HA       ARG  11   2.181   2.398   2.469
   69    HB2  ARG  11           1HB      ARG  11  -0.208   1.961   4.132
   70    HB3  ARG  11           2HB      ARG  11   1.150   1.028   4.728
   71    HG2  ARG  11           1HG      ARG  11   2.491   2.955   5.090
   72    HG3  ARG  11           2HG      ARG  11   1.553   3.938   3.983
   73    HD2  ARG  11           1HD      ARG  11  -0.434   3.504   5.687
   74    HD3  ARG  11           2HD      ARG  11   0.848   3.082   6.807
   75    HE   ARG  11           HE       ARG  11   1.324   5.351   7.012
   76   HH11  ARG  11          2HH2      ARG  11  -0.237   4.839   3.872
   77   HH12  ARG  11          1HH2      ARG  11  -0.260   6.523   3.470
   78   HH22  ARG  11          1HH       ARG  11   0.644   8.113   5.019
   79    H    HIS  12           H        HIS  12   0.028  -0.277   1.688
   80    HA   HIS  12           HA       HIS  12   1.725  -2.334   2.649
   81    HB2  HIS  12           1HB      HIS  12   0.190  -3.831   1.648
   82    HB3  HIS  12           2HB      HIS  12  -0.751  -2.508   2.310
   83    HD1  HIS  12           HD1      HIS  12  -2.702  -2.231   0.770
   84    HD2  HIS  12           HD2      HIS  12   0.902  -2.730  -1.319
   85    HE1  HIS  12           HE1      HIS  12  -3.263  -1.948  -1.703
   86    H    LYS  13           H        LYS  13   1.565  -0.324  -0.239
   87    HA   LYS  13           HA       LYS  13   2.862  -2.009  -2.030
   88    HB2  LYS  13           1HB      LYS  13   2.914   1.019  -1.859
   89    HB3  LYS  13           2HB      LYS  13   3.377   0.066  -3.254
   90    HG2  LYS  13           1HG      LYS  13   0.730  -0.732  -2.260
   91    HG3  LYS  13           2HG      LYS  13   0.779   0.983  -2.621
   92    HD2  LYS  13           1HD      LYS  13   1.662  -1.225  -4.540
   93    HD3  LYS  13           2HD      LYS  13   0.112  -0.409  -4.603
   94    HE2  LYS  13           1HE      LYS  13   1.448   1.806  -4.792
   95    HE3  LYS  13           2HE      LYS  13   2.867   0.814  -5.062
   96    HZ1  LYS  13           2HZ      LYS  13   0.408   0.778  -6.729
   97    HZ3  LYS  13           1HZ      LYS  13   1.677  -0.217  -6.958
   98    H    THR  14           H        THR  14   3.986  -0.357   0.837
   99    HA   THR  14           HA       THR  14   6.741  -0.283   0.050
  100    HB   THR  14           HB       THR  14   5.292   1.111   1.836
  101    HG1  THR  14           HG1      THR  14   7.515   1.265   2.948
  102   HG21  THR  14          3HG2      THR  14   5.034  -1.151   3.204
  103   HG22  THR  14          1HG2      THR  14   6.728  -0.849   3.658
  104   HG23  THR  14          2HG2      THR  14   5.469   0.341   4.071
  105    H    ASP  15           H        ASP  15   4.552  -2.683   1.383
  106    HA   ASP  15           HA       ASP  15   6.588  -4.226   2.566
  107    HB2  ASP  15           1HB      ASP  15   3.710  -4.727   1.738
  108    HB3  ASP  15           2HB      ASP  15   4.700  -6.056   2.307
  109    HD2  ASP  15           HD2      ASP  15   2.981  -6.003   4.096
  110    H    SER  16           H        SER  16   5.164  -3.829  -0.659
  111    HA   SER  16           HA       SER  16   6.035  -6.328  -1.649
  112    HB2  SER  16           1HB      SER  16   4.224  -4.473  -2.496
  113    HB3  SER  16           2HB      SER  16   5.570  -4.049  -3.534
  114    HG   SER  16           HG       SER  16   3.940  -6.343  -3.546
  115    H    PHE  17           H        PHE  17   7.498  -3.207  -1.058
  116    HA   PHE  17           HA       PHE  17   9.514  -3.408  -3.055
  117    HB2  PHE  17           1HB      PHE  17   8.456  -1.537  -1.182
  118    HB3  PHE  17           2HB      PHE  17  10.081  -1.837  -0.594
  119    HD1  PHE  17           HD2      PHE  17  12.032  -1.357  -2.075
  120    HD2  PHE  17           HD1      PHE  17   8.079  -0.246  -3.146
  121    HE1  PHE  17           HE2      PHE  17  12.943   0.251  -3.773
  122    HE2  PHE  17           HE1      PHE  17   8.990   1.362  -4.843
  123    HZ   PHE  17           HZ       PHE  17  11.412   1.591  -5.136
  124    H    VAL  18           H        VAL  18   9.018  -4.736   0.159
  125    HA   VAL  18           HA       VAL  18  11.746  -5.050   0.832
  126    HB   VAL  18           HB       VAL  18   9.329  -6.611   1.763
  127   HG11  VAL  18          1HG1      VAL  18  12.172  -6.492   2.590
  128   HG12  VAL  18          2HG1      VAL  18  10.984  -6.404   3.914
  129   HG13  VAL  18          3HG1      VAL  18  10.967  -7.787   2.793
  130   HG21  VAL  18          3HG2      VAL  18   9.266  -4.949   3.634
  131   HG22  VAL  18          1HG2      VAL  18  10.463  -3.973   2.748
  132   HG23  VAL  18          2HG2      VAL  18   8.854  -4.264   2.043
  133    H    GLY  19           H        GLY  19   9.416  -6.839  -1.164
  134    HA2  GLY  19           1HA      GLY  19  11.080  -9.206  -1.302
  135    HA3  GLY  19           2HA      GLY  19   9.570  -8.902  -2.139
  136    H    LEU  20           H        LEU  20  11.347  -6.103  -2.582
  137    HA   LEU  20           HA       LEU  20  12.125  -6.978  -5.238
  138    HB2  LEU  20           1HB      LEU  20  11.469  -4.413  -3.912
  139    HB3  LEU  20           2HB      LEU  20  12.678  -4.341  -5.177
  140    HG   LEU  20           HG       LEU  20  10.295  -5.883  -5.937
  141   HD11  LEU  20          1HD1      LEU  20   8.930  -4.450  -4.753
  142   HD12  LEU  20          2HD1      LEU  20  10.023  -3.060  -4.958
  143   HD13  LEU  20          3HD1      LEU  20   9.039  -3.628  -6.328
  144   HD21  LEU  20          3HD2      LEU  20  10.619  -3.835  -7.740
  145   HD22  LEU  20          1HD2      LEU  20  12.272  -4.070  -7.121
  146   HD23  LEU  20          2HD2      LEU  20  11.387  -5.438  -7.836
  147    H    MET  21           H        MET  21  13.480  -6.297  -2.080
  148    HA   MET  21           HA       MET  21  16.050  -5.619  -2.980
  149    HB2  MET  21           1HB      MET  21  14.704  -6.406  -0.401
  150    HB3  MET  21           2HB      MET  21  16.442  -6.630  -0.448
  151    HG2  MET  21           1HG      MET  21  16.853  -4.301  -0.852
  152    HG3  MET  21           2HG      MET  21  15.197  -4.001  -1.339
  153    HE1  MET  21           3HE      MET  21  17.629  -3.359   0.885
  154    HE2  MET  21           1HE      MET  21  16.925  -3.072   2.494
  155    HE3  MET  21           2HE      MET  21  17.485  -4.701   2.046