*HEADER    ANTIMICROBIAL PROTEIN                   29-AUG-13   2MD1              
*TITLE     FRAGMENT BASED APPROACH AND BINDING BEHAVIOR OF LFAMPINB WITH         
*TITLE    2 LIPOPOLYSACCHARIDE:BIOPHYSICAL ASPECTS                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LACTOTRANSFERRIN;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: LACTOFERRIN, LACTOFERRICIN-B, LFCIN-B;                      
*COMPND   5 EC: 3.4.21.-;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   4 ORGANISM_COMMON: BOVINE;                                             
*SOURCE   5 ORGANISM_TAXID: 9913;                                                
*SOURCE   6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*KEYWDS    ANTIMICROBIAL PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    A.BHUNIA, S.CHATTERJEE, A.GHOSH, J.JANA                               
*REVDAT   1   25-SEP-13 2MD1    0                                                


1 TRP HA  2 LYS H  3.5 2.0
1 TRP QB  2 LYS H  3.7 2.0
1 TRP QB  1 TRP H  3.5 2.0
1 TRP HA  3 LEU H  4.4 2.0
1 TRP HA  4 LEU H  4.2 2.0
1 TRP HA  5 SER H  4.6 2.0
2 LYS QB  2 LYS H  3.8 2.0

2 LYS QD  2 LYS H  4.0 2.0
2 LYS QG  2 LYS H  3.8 2.0
2 LYS HA  6 LYS H  3.8 2.0

2 LYS HA  5 SER H  3.3 2.0
2 LYS HA  3 LEU H  3.3 2.0

2 LYS HA  4 LEU H  4.4 2.0

2 LYS HA    5 SER H  3.3 2.0

2 LYS QB  3 LEU H  3.6 2.0

2 LYS QD  3 LEU H  3.9 2.0

2 LYS QG  3 LEU H  3.8 2.0
3 LEU HA  4 LEU H  3.2 2.0
3 LEU HA  5 SER H  4.4 2.0

3 LEU HA  6 LYS H  3.8 2.0
3 LEU QB  3 LEU H  3.8 2.0
3 LEU QQD 3 LEU H  4.0 2.0

3 LEU QB  4 LEU H  4.0 2.0

3 LEU QB  5 SER H  4.4 2.0

3 LEU QQD 4 LEU H  4.2 2.0

3 LEU QQD 5 SER H  4.6 2.0

3 LEU QQD 6 LYS H  4.2 2.0

3 LEU QQD 7 ALA H  4.2      2.0
4 LEU HA  5 SER H  3.3  2.0
4 LEU HA  6 LYS H  3.6  2.0

4 LEU HA  7 ALA H  3.8  2.0

4 LEU QB  4 LEU H  3.3 2.0
4 LEU QQD 4 LEU H  3.8 2.0
4 LEU QB  5 SER H  3.3 2.0

4 LEU QB  6 LYS H  4.3 2.0
4 LEU QQD 5 SER H  4.0 2.0

4 LEU QQD 6 LYS H  4.6 2.0

4 LEU QQD 7 ALA H  4.0 2.0

4 LEU QQD 8 GLN H          4.2      2.0

5 SER HA  6 LYS H  3.3 2.0
5 SER HA  7 ALA H  4.4 2.0
5 SER HA  8 GLN H  3.3 2.0

5 SER HA  9 GLU H  3.5      2.0
5 SER QB  5 SER H  3.3 2.0
5 SER QB  6 LYS H  3.3 2.0

5 SER QB  7 ALA H  4.5 2.0
5 SER QB  8 GLN H  4.8 2.0
6 LYS HA  7 ALA H  3.3 2.0

6 LYS HA  8 GLN H  3.6 2.0

6 LYS HA  9 GLU H  3.8 2.0
6 LYS QB  6 LYS H  3.3 2.0
6 LYS QD  6 LYS H  3.8 2.0
6 LYS QG  6 LYS H  4.0 2.0

6 LYS QD                 7 ALA H  4.0 2.0

6 LYS QB  7 ALA H  3.5 2.0
6 LYS QG  7 ALA H  3.6 2.0
7 ALA HA         8 GLN H  3.3 2.0
7 ALA QB         7 ALA H  3.3 2.0

7 ALA QB  8 GLN H  3.3 2.0
7 ALA QB         9 GLU H  4.4 2.0
8 GLN HA  9 GLU H  3.3 2.0
8 GLN QB  8 GLN H  3.3 2.0
8 GLN QB  9 GLU H  3.3 2.0
8 GLN QG  8 GLN H  3.8 2.0
8 GLN QG  9 GLU H  4.0 2.0

8 GLN HA  11 PHE H  4.0 2.0
9 GLU HA        10 LYS H  3.4 2.0

9 GLU HA        11 PHE H  4.4 2.0
9 GLU QB         9 GLU H          3.8      2.0
9 GLU QG         9 GLU H          4.1      2.0

9 GLU QB         10 LYS H         3.8      2.0
9 GLU QG         10 LYS H         4.1      2.0

9 GLU QB  11 PHE H  4.4 2.0

9 GLU QG  11 PHE H  4.4 2.0
10 LYS QB       10 LYS H  3.3  2.0
10 LYS QG       10 LYS H  3.8 2.0

10 LYS QD 10 LYS H  4.0 2.0

10 LYS HA  11 PHE H  3.0 2.0

11 PHE QB 11 PHE H  3.3 2.0

11 PHE HA 12 GLY H  3.5 2.0

12 GLY HA  13 LYS H  3.3 2.0

13 LYS QB  13 LYS H  3.3 2.0
13 LYS QD 13 LYS H  3.8 2.0
13 LYS QG  13 LYS H  4.0 2.0

13 LYS HA  14 ASN H  3.3 2.0

13 LYS QB  14 ASN H  3.3 2.0
13 LYS QD 14 ASN H  3.8 2.0
13 LYS QG  14 ASN H  4.0 2.0

14 ASN HA 15 LYS H  3.4  2.0

14 ASN QB 14 ASN H  3.8 2.0

15 LYS QB  15 LYS H  3.3 2.0
15 LYS QD 15 LYS H  3.8 2.0
15 LYS QG  15 LYS H  4.0 2.0

15 LYS HA  16 SER H  3.6 2.0

16 SER HA  17 ARG H  3.6 2.0

16 SER QB  16 SER H  3.8 2.0

17 ARG QB 17 ARG H  3.8 2.0

17 ARG QD 17 ARG H  4.0 2.0

2 LYS H  3 LEU H  2.8 2.0
3 LEU H  4 LEU H  2.8 2.0
4 LEU H  5 SER H  2.8 2.0
5 SER H   6 LYS H  2.8 2.0
6 LYS H  7 ALA H  2.8 2.0
7 ALA H  8 GLN H  2.8 2.0
8 GLN H   9 GLU H  2.8 2.0
9 GLU H  10 LYS H  2.8 2.0

10 LYS H  11 PHE H  2.8 2.0

11 PHE H  12 GLY H  3.5 2.0

12 GLY H  13 LYS H  3.5 2.0

13 LYS H  14 ASN H  3.5 2.0

14 ASN H  15 LYS H  3.5 2.0

15 LYS H  16 SER H  3.5 2.0

16 SER H  17 ARG H  3.5 2.0

1 TRP HE1 1 TRP HZ2 4.0 2.0

1 TRP HE1 1 TRP HD1 4.0 2.0

1 TRP HE1 3 LEU H  4.2 2.0

1 TRP HE1 3 LEU QB   4.0 2.0

1 TRP HE1 3 LEU QQD  4.2 2.0

1 TRP HE1 4 LEU QQD        5.0 2.0

1 TRP HE3 3 LEU HA         4.7 2.0

1 TRP HE3 4 LEU HA         4.4 2.0

1 TRP HE3 3 LEU QB         4.4 2.0

1 TRP HE3 4 LEU QB         4.4 2.0

1 TRP HE3 3 LEU QQD        4.4 2.0

1 TRP HE3 4 LEU QQD        4.2 2.0

1 TRP HZ2 3 LEU QQD 4.0 2.0

1 TRP HZ2 3 LEU QB  4.0 2.0

1 TRP HZ2 4 LEU QQD 4.6 2.0

1 TRP HD1 1 TRP QB  4.2 2.0

1 TRP HD1 3 LEU QQD 4.7 2.0

1 TRP HD1 3 LEU QB  3.8 2.0

1 TRP HH2 3 LEU QQD 4.2 2.0

1 TRP HH2 4 LEU QQD 4.0 2.0

1 TRP HZ3 3 LEU QQD 4.2 2.0

1 TRP HZ3 4 LEU QQD 4.3 2.0

1 TRP HZ3 3 LEU QB  4.2 2.0

1 TRP HZ3 4 LEU QB  4.2 2.0

1 TRP HZ3 3 LEU HA  4.9 2.0

8 GLN HA  11 PHE QE 3.8 2.0

8 GLN HA  11 PHE QD 3.8 2.0

8 GLN QG  11 PHE QD 4.2 2.0

11 PHE QB 11 PHE QD 4.0 2.0

11 PHE QB 11 PHE QE 4.0 2.0

10 LYS QD 11 PHE QD 4.0 2.0

10 LYS QD 11 PHE HZ 4.0 2.0
# Torsion angle constraints 
# generated from HA secondary chemical shifts   
   1 TRP   PSI  -120    120
   2 LYS   PHI  -120   -30
   2 LYS   PSI  -120    120
   3 LEU   PHI  -120   -30
   3 LEU   PSI  -120    120
   4 LEU   PHI  -120   -30
   4 LEU   PSI  -120    120
   5 SER   PHI  -120   -30
   5 SER   PSI  -120    120
   6 LYS   PHI  -120   -30
   6 LYS   PSI  -120    120
   7 ALA   PHI  -120   -30
   7 ALA   PSI  -120    120
   8 GLN   PHI  -120   -30
   8 GLN   PSI  -120    120
   9 GLU   PHI  -120   -30
   9 GLU   PSI  -120    120
  10 LYS   PHI  -120   -30
  10 LYS   PSI  -120    120
  11 PHE   PHI  -120   -30
  11 PHE   PSI  -120    120
  12 GLY   PHI  -120   -30
  12 GLY   PSI  -120    120
  13 LYS   PHI  -120   -30
  13 LYS   PSI  -120    120
  14 ASN   PHI  -120   -30
  14 ASN   PSI  -120    120
  15 LYS   PHI  -120   -30
  15 LYS   PSI  -120    120
  16 SER   PHI  -120   -30
  16 SER   PSI  -120    120
  17 ARG   PHI  -120   -30
  
   

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TRP   1           H        TRP   1   1.807   0.000   0.856
    2    HA   TRP   1           HA       TRP   1   3.114  -0.253  -1.002
    3    HB2  TRP   1           2HB      TRP   1   1.214  -1.911  -1.646
    4    HB3  TRP   1           3HB      TRP   1   0.687  -0.628  -2.732
    5    HD1  TRP   1           HD1      TRP   1   4.328  -1.769  -2.050
    6    HE1  TRP   1           HE1      TRP   1   5.375  -2.463  -4.296
    7    HE3  TRP   1           HE3      TRP   1   0.232  -1.218  -5.059
    8    HZ2  TRP   1           HZ2      TRP   1   4.571  -2.740  -6.988
    9    HZ3  TRP   1           HZ3      TRP   1   0.455  -1.717  -7.458
   10    HH2  TRP   1           HH2      TRP   1   2.580  -2.462  -8.401
   11    H    LYS   2           H        LYS   2   3.984   1.675  -1.412
   12    HA   LYS   2           HA       LYS   2   2.699   4.070  -1.860
   13    HB2  LYS   2           2HB      LYS   2   4.854   4.766  -3.007
   14    HB3  LYS   2           3HB      LYS   2   5.015   4.128  -1.376
   15    HG2  LYS   2           2HG      LYS   2   5.225   2.047  -3.381
   16    HG3  LYS   2           3HG      LYS   2   6.424   3.322  -3.609
   17    HD2  LYS   2           2HD      LYS   2   6.000   2.297  -0.853
   18    HD3  LYS   2           3HD      LYS   2   6.848   1.253  -1.997
   19    HE2  LYS   2           2HE      LYS   2   8.650   2.394  -1.246
   20    HE3  LYS   2           3HE      LYS   2   8.133   3.559  -2.464
   21    HZ1  LYS   2           3HZ      LYS   2   6.905   3.850   0.148
   22    HZ2  LYS   2           1HZ      LYS   2   7.495   5.031  -0.910
   23    HZ3  LYS   2           2HZ      LYS   2   8.563   4.181   0.088
   24    H    LEU   3           H        LEU   3   3.210   1.446  -4.055
   25    HA   LEU   3           HA       LEU   3   2.797   2.936  -6.461
   26    HB2  LEU   3           2HB      LEU   3   3.462   0.260  -5.732
   27    HB3  LEU   3           3HB      LEU   3   2.099   0.220  -6.848
   28    HG   LEU   3           HG       LEU   3   4.055  -0.004  -8.156
   29   HD11  LEU   3          1HD1      LEU   3   3.111   1.352  -9.633
   30   HD12  LEU   3          2HD1      LEU   3   4.036   2.685  -8.945
   31   HD13  LEU   3          3HD1      LEU   3   2.413   2.339  -8.349
   32   HD21  LEU   3          3HD2      LEU   3   5.151   2.461  -6.807
   33   HD22  LEU   3          1HD2      LEU   3   5.952   1.483  -8.037
   34   HD23  LEU   3          2HD2      LEU   3   5.638   0.805  -6.439
   35    H    LEU   4           H        LEU   4   0.755   0.989  -4.336
   36    HA   LEU   4           HA       LEU   4  -1.575   1.364  -6.007
   37    HB2  LEU   4           2HB      LEU   4  -0.827  -0.274  -3.734
   38    HB3  LEU   4           3HB      LEU   4  -2.434   0.424  -3.543
   39    HG   LEU   4           HG       LEU   4  -3.341  -0.944  -5.072
   40   HD11  LEU   4          1HD1      LEU   4  -2.492   0.007  -7.021
   41   HD12  LEU   4          2HD1      LEU   4  -2.012  -1.686  -7.137
   42   HD13  LEU   4          3HD1      LEU   4  -0.835  -0.467  -6.646
   43   HD21  LEU   4          3HD2      LEU   4  -1.091  -2.751  -5.353
   44   HD22  LEU   4          1HD2      LEU   4  -2.650  -3.000  -4.567
   45   HD23  LEU   4          2HD2      LEU   4  -1.328  -2.237  -3.682
   46    H    SER   5           H        SER   5  -0.149   2.808  -3.179
   47    HA   SER   5           HA       SER   5  -2.494   4.244  -2.372
   48    HB2  SER   5           2HB      SER   5   0.418   4.400  -1.612
   49    HB3  SER   5           3HB      SER   5  -0.757   5.567  -1.003
   50    HG   SER   5           HG       SER   5  -0.272   3.085  -0.143
   51    H    LYS   6           H        LYS   6  -0.102   4.682  -4.764
   52    HA   LYS   6           HA       LYS   6  -0.713   7.543  -5.015
   53    HB2  LYS   6           2HB      LYS   6   1.265   7.774  -6.294
   54    HB3  LYS   6           3HB      LYS   6   1.689   6.726  -4.946
   55    HG2  LYS   6           2HG      LYS   6   2.663   5.563  -6.631
   56    HG3  LYS   6           3HG      LYS   6   1.054   4.839  -6.690
   57    HD2  LYS   6           2HD      LYS   6   0.616   5.709  -8.711
   58    HD3  LYS   6           3HD      LYS   6   1.306   7.277  -8.285
   59    HE2  LYS   6           2HE      LYS   6   3.295   5.156  -8.556
   60    HE3  LYS   6           3HE      LYS   6   2.393   5.467 -10.039
   61    HZ1  LYS   6           3HZ      LYS   6   4.064   7.349  -8.486
   62    HZ2  LYS   6           1HZ      LYS   6   2.929   7.892  -9.617
   63    HZ3  LYS   6           2HZ      LYS   6   4.212   6.908 -10.112
   64    H    ALA   7           H        ALA   7  -1.338   4.487  -6.418
   65    HA   ALA   7           HA       ALA   7  -2.250   5.689  -8.933
   66    HB1  ALA   7           1HB      ALA   7  -2.380   3.429  -9.795
   67    HB2  ALA   7           2HB      ALA   7  -0.794   3.710  -9.077
   68    HB3  ALA   7           3HB      ALA   7  -2.004   2.774  -8.201
   69    H    GLN   8           H        GLN   8  -3.418   4.694  -5.927
   70    HA   GLN   8           HA       GLN   8  -6.143   4.360  -6.991
   71    HB2  GLN   8           2HB      GLN   8  -5.054   3.490  -4.309
   72    HB3  GLN   8           3HB      GLN   8  -6.681   3.198  -4.909
   73    HG2  GLN   8           2HG      GLN   8  -4.374   2.218  -6.507
   74    HG3  GLN   8           3HG      GLN   8  -4.824   1.352  -5.039
   75   HE21  GLN   8          1HE2      GLN   8  -7.340   1.097  -4.907
   76   HE22  GLN   8          2HE2      GLN   8  -8.065   0.447  -6.334
   77    H    GLU   9           H        GLU   9  -4.094   6.260  -4.962
   78    HA   GLU   9           HA       GLU   9  -5.955   7.512  -3.308
   79    HB2  GLU   9           2HB      GLU   9  -3.731   7.940  -2.765
   80    HB3  GLU   9           3HB      GLU   9  -3.298   8.333  -4.423
   81    HG2  GLU   9           2HG      GLU   9  -4.431  10.443  -4.279
   82    HG3  GLU   9           3HG      GLU   9  -5.056  10.042  -2.680
   83    H    LYS  10           H        LYS  10  -5.275   7.946  -6.684
   84    HA   LYS  10           HA       LYS  10  -6.733  10.446  -6.859
   85    HB2  LYS  10           2HB      LYS  10  -6.262  10.278  -9.279
   86    HB3  LYS  10           3HB      LYS  10  -4.806  10.147  -8.302
   87    HG2  LYS  10           2HG      LYS  10  -4.310   8.247  -9.314
   88    HG3  LYS  10           3HG      LYS  10  -5.796   7.528  -8.688
   89    HD2  LYS  10           2HD      LYS  10  -6.097   7.258 -10.952
   90    HD3  LYS  10           3HD      LYS  10  -6.898   8.809 -10.692
   91    HE2  LYS  10           2HE      LYS  10  -4.237   9.467 -11.138
   92    HE3  LYS  10           3HE      LYS  10  -4.562   8.168 -12.283
   93    HZ1  LYS  10           3HZ      LYS  10  -6.627   9.494 -12.878
   94    HZ2  LYS  10           1HZ      LYS  10  -5.142  10.115 -13.399
   95    HZ3  LYS  10           2HZ      LYS  10  -5.913  10.786 -12.052
   96    H    PHE  11           H        PHE  11  -7.852   7.606  -6.181
   97    HA   PHE  11           HA       PHE  11 -10.140   7.778  -8.030
   98    HB2  PHE  11           2HB      PHE  11  -8.741   5.384  -6.874
   99    HB3  PHE  11           3HB      PHE  11 -10.422   5.279  -7.385
  100    HD1  PHE  11           HD1      PHE  11 -10.476   6.902  -9.794
  101    HD2  PHE  11           HD2      PHE  11  -7.510   4.182  -8.410
  102    HE1  PHE  11           HE1      PHE  11  -9.748   6.522 -12.113
  103    HE2  PHE  11           HE2      PHE  11  -6.776   3.798 -10.726
  104    HZ   PHE  11           HZ       PHE  11  -7.894   4.969 -12.582
  105    H    GLY  12           H        GLY  12 -10.548   9.412  -6.118
  106    HA2  GLY  12           2HA      GLY  12 -11.597   8.146  -3.726
  107    HA3  GLY  12           3HA      GLY  12 -11.551   9.871  -4.063
  108    H    LYS  13           H        LYS  13 -12.793   8.433  -6.748
  109    HA   LYS  13           HA       LYS  13 -15.556   8.813  -5.795
  110    HB2  LYS  13           2HB      LYS  13 -14.846   9.031  -8.689
  111    HB3  LYS  13           3HB      LYS  13 -16.140   9.818  -7.794
  112    HG2  LYS  13           2HG      LYS  13 -14.855  11.635  -7.908
  113    HG3  LYS  13           3HG      LYS  13 -13.916  10.877  -6.620
  114    HD2  LYS  13           2HD      LYS  13 -12.146  10.819  -7.963
  115    HD3  LYS  13           3HD      LYS  13 -13.035   9.775  -9.075
  116    HE2  LYS  13           2HE      LYS  13 -14.095  12.138  -9.752
  117    HE3  LYS  13           3HE      LYS  13 -12.515  12.687  -9.195
  118    HZ1  LYS  13           3HZ      LYS  13 -12.972  11.875 -11.671
  119    HZ2  LYS  13           1HZ      LYS  13 -12.527  10.394 -10.984
  120    HZ3  LYS  13           2HZ      LYS  13 -11.467  11.709 -10.917
  121    H    ASN  14           H        ASN  14 -13.320   6.669  -7.258
  122    HA   ASN  14           HA       ASN  14 -15.263   4.951  -8.493
  123    HB2  ASN  14           2HB      ASN  14 -12.320   4.644  -7.897
  124    HB3  ASN  14           3HB      ASN  14 -13.274   3.369  -8.650
  125   HD21  ASN  14          1HD2      ASN  14 -11.760   3.613 -10.411
  126   HD22  ASN  14          2HD2      ASN  14 -12.022   4.850 -11.590
  127    H    LYS  15           H        LYS  15 -14.044   5.384  -5.334
  128    HA   LYS  15           HA       LYS  15 -14.920   2.710  -4.500
  129    HB2  LYS  15           2HB      LYS  15 -13.491   4.772  -2.821
  130    HB3  LYS  15           3HB      LYS  15 -13.694   3.060  -2.472
  131    HG2  LYS  15           2HG      LYS  15 -12.024   4.257  -4.673
  132    HG3  LYS  15           3HG      LYS  15 -11.437   3.492  -3.195
  133    HD2  LYS  15           2HD      LYS  15 -12.986   1.514  -4.166
  134    HD3  LYS  15           3HD      LYS  15 -12.487   2.282  -5.675
  135    HE2  LYS  15           2HE      LYS  15 -10.920   0.542  -5.128
  136    HE3  LYS  15           3HE      LYS  15 -10.130   2.106  -4.927
  137    HZ1  LYS  15           3HZ      LYS  15  -9.753   1.674  -2.799
  138    HZ2  LYS  15           1HZ      LYS  15 -10.276   0.088  -3.071
  139    HZ3  LYS  15           2HZ      LYS  15 -11.366   1.254  -2.511
  140    H    SER  16           H        SER  16 -17.077   4.015  -5.160
  141    HA   SER  16           HA       SER  16 -18.183   5.061  -2.636
  142    HB2  SER  16           2HB      SER  16 -19.810   6.324  -4.068
  143    HB3  SER  16           3HB      SER  16 -18.136   6.845  -4.261
  144    HG   SER  16           HG       SER  16 -19.271   6.554  -6.265
  145    H    ARG  17           H        ARG  17 -18.051   2.292  -3.453
  146    HA   ARG  17           HA       ARG  17 -20.826   1.651  -4.127
  147    HB2  ARG  17           2HB      ARG  17 -18.246   0.325  -4.461
  148    HB3  ARG  17           3HB      ARG  17 -19.482  -0.747  -3.818
  149    HG2  ARG  17           2HG      ARG  17 -20.264  -1.029  -5.865
  150    HG3  ARG  17           3HG      ARG  17 -20.675   0.686  -5.926
  151    HD2  ARG  17           2HD      ARG  17 -18.863   1.214  -7.178
  152    HD3  ARG  17           3HD      ARG  17 -17.843   0.003  -6.402
  153    HE   ARG  17           HE       ARG  17 -19.699  -1.378  -7.922
  154   HH11  ARG  17          1HH1      ARG  17 -17.137   0.919  -8.454
  155   HH12  ARG  17          2HH1      ARG  17 -16.764   0.332 -10.041
  156   HH21  ARG  17          1HH2      ARG  17 -19.217  -2.160 -10.010
  157   HH22  ARG  17          2HH2      ARG  17 -17.948  -1.418 -10.925
  Start of MODEL    2
    1    H1   TRP   1           H        TRP   1   1.939  -2.168  -0.128
    2    HA   TRP   1           HA       TRP   1   3.658  -1.249  -1.391
    3    HB2  TRP   1           2HB      TRP   1   2.156  -2.858  -2.780
    4    HB3  TRP   1           3HB      TRP   1   1.645  -1.393  -3.615
    5    HD1  TRP   1           HD1      TRP   1   5.240  -2.313  -2.499
    6    HE1  TRP   1           HE1      TRP   1   6.746  -2.298  -4.586
    7    HE3  TRP   1           HE3      TRP   1   1.685  -1.407  -6.059
    8    HZ2  TRP   1           HZ2      TRP   1   6.465  -1.947  -7.372
    9    HZ3  TRP   1           HZ3      TRP   1   2.387  -1.245  -8.412
   10    HH2  TRP   1           HH2      TRP   1   4.728  -1.509  -9.053
   11    H    LYS   2           H        LYS   2   4.305   0.793  -1.160
   12    HA   LYS   2           HA       LYS   2   2.782   3.088  -1.277
   13    HB2  LYS   2           2HB      LYS   2   4.916   4.301  -1.631
   14    HB3  LYS   2           3HB      LYS   2   5.013   3.103  -0.347
   15    HG2  LYS   2           2HG      LYS   2   6.859   2.378  -1.343
   16    HG3  LYS   2           3HG      LYS   2   5.804   1.704  -2.588
   17    HD2  LYS   2           2HD      LYS   2   7.236   2.960  -3.872
   18    HD3  LYS   2           3HD      LYS   2   5.946   4.130  -3.579
   19    HE2  LYS   2           2HE      LYS   2   7.481   4.620  -1.439
   20    HE3  LYS   2           3HE      LYS   2   8.722   4.056  -2.556
   21    HZ1  LYS   2           3HZ      LYS   2   7.554   6.573  -2.446
   22    HZ2  LYS   2           1HZ      LYS   2   7.015   5.861  -3.882
   23    HZ3  LYS   2           2HZ      LYS   2   8.672   6.002  -3.579
   24    H    LEU   3           H        LEU   3   4.017   1.176  -3.876
   25    HA   LEU   3           HA       LEU   3   3.816   3.196  -5.896
   26    HB2  LEU   3           2HB      LEU   3   4.735   0.502  -5.700
   27    HB3  LEU   3           3HB      LEU   3   3.607   0.621  -7.049
   28    HG   LEU   3           HG       LEU   3   5.769   0.943  -7.945
   29   HD11  LEU   3          1HD1      LEU   3   4.933   2.554  -9.215
   30   HD12  LEU   3          2HD1      LEU   3   5.480   3.739  -8.029
   31   HD13  LEU   3          3HD1      LEU   3   3.854   3.066  -7.918
   32   HD21  LEU   3          3HD2      LEU   3   6.905   1.414  -5.807
   33   HD22  LEU   3          1HD2      LEU   3   6.242   3.049  -5.838
   34   HD23  LEU   3          2HD2      LEU   3   7.376   2.534  -7.087
   35    H    LEU   4           H        LEU   4   1.749   0.582  -4.733
   36    HA   LEU   4           HA       LEU   4  -0.290   1.135  -6.711
   37    HB2  LEU   4           2HB      LEU   4   0.297  -0.954  -4.789
   38    HB3  LEU   4           3HB      LEU   4  -1.404  -0.494  -4.759
   39    HG   LEU   4           HG       LEU   4  -1.835  -1.502  -6.716
   40   HD11  LEU   4          1HD1      LEU   4  -0.100  -1.536  -8.599
   41   HD12  LEU   4          2HD1      LEU   4   0.800  -0.386  -7.610
   42   HD13  LEU   4          3HD1      LEU   4  -0.823   0.015  -8.171
   43   HD21  LEU   4          3HD2      LEU   4   0.671  -2.936  -6.975
   44   HD22  LEU   4          1HD2      LEU   4  -0.941  -3.537  -6.585
   45   HD23  LEU   4          2HD2      LEU   4   0.096  -2.900  -5.308
   46    H    SER   5           H        SER   5   0.410   1.943  -3.400
   47    HA   SER   5           HA       SER   5  -2.226   2.873  -2.765
   48    HB2  SER   5           2HB      SER   5   0.458   3.094  -1.420
   49    HB3  SER   5           3HB      SER   5  -0.942   3.976  -0.809
   50    HG   SER   5           HG       SER   5  -0.511   1.784   0.068
   51    H    LYS   6           H        LYS   6   0.464   4.160  -4.433
   52    HA   LYS   6           HA       LYS   6  -0.489   6.914  -4.110
   53    HB2  LYS   6           2HB      LYS   6   1.610   7.639  -4.945
   54    HB3  LYS   6           3HB      LYS   6   1.958   6.333  -3.820
   55    HG2  LYS   6           2HG      LYS   6   3.314   5.709  -5.524
   56    HG3  LYS   6           3HG      LYS   6   1.837   4.889  -6.037
   57    HD2  LYS   6           2HD      LYS   6   1.652   6.162  -7.866
   58    HD3  LYS   6           3HD      LYS   6   1.968   7.645  -6.962
   59    HE2  LYS   6           2HE      LYS   6   4.135   5.711  -7.749
   60    HE3  LYS   6           3HE      LYS   6   3.637   7.058  -8.771
   61    HZ1  LYS   6           3HZ      LYS   6   5.233   8.128  -7.632
   62    HZ2  LYS   6           1HZ      LYS   6   5.177   7.069  -6.313
   63    HZ3  LYS   6           2HZ      LYS   6   4.032   8.306  -6.454
   64    H    ALA   7           H        ALA   7  -0.433   4.295  -6.333
   65    HA   ALA   7           HA       ALA   7  -1.150   6.032  -8.581
   66    HB1  ALA   7           1HB      ALA   7  -0.614   3.065  -8.579
   67    HB2  ALA   7           2HB      ALA   7  -0.815   4.101  -9.993
   68    HB3  ALA   7           3HB      ALA   7   0.582   4.310  -8.937
   69    H    GLN   8           H        GLN   8  -2.586   4.140  -6.179
   70    HA   GLN   8           HA       GLN   8  -5.039   3.792  -7.765
   71    HB2  GLN   8           2HB      GLN   8  -4.066   1.745  -6.738
   72    HB3  GLN   8           3HB      GLN   8  -4.290   2.470  -5.151
   73    HG2  GLN   8           2HG      GLN   8  -6.502   2.066  -5.126
   74    HG3  GLN   8           3HG      GLN   8  -6.687   2.368  -6.853
   75   HE21  GLN   8          1HE2      GLN   8  -7.464   0.147  -4.894
   76   HE22  GLN   8          2HE2      GLN   8  -7.003  -1.298  -5.722
   77    H    GLU   9           H        GLU   9  -3.649   5.378  -5.022
   78    HA   GLU   9           HA       GLU   9  -5.924   6.009  -3.542
   79    HB2  GLU   9           2HB      GLU   9  -3.877   6.509  -2.519
   80    HB3  GLU   9           3HB      GLU   9  -3.280   7.378  -3.926
   81    HG2  GLU   9           2HG      GLU   9  -4.530   9.276  -3.443
   82    HG3  GLU   9           3HG      GLU   9  -5.624   8.399  -2.375
   83    H    LYS  10           H        LYS  10  -4.767   7.276  -6.556
   84    HA   LYS  10           HA       LYS  10  -6.526   9.582  -6.482
   85    HB2  LYS  10           2HB      LYS  10  -5.542  10.223  -8.548
   86    HB3  LYS  10           3HB      LYS  10  -4.236   9.598  -7.550
   87    HG2  LYS  10           2HG      LYS  10  -4.343   7.468  -8.744
   88    HG3  LYS  10           3HG      LYS  10  -5.648   8.101  -9.750
   89    HD2  LYS  10           2HD      LYS  10  -2.871   9.269  -9.574
   90    HD3  LYS  10           3HD      LYS  10  -3.442   8.204 -10.860
   91    HE2  LYS  10           2HE      LYS  10  -4.199   9.988 -11.944
   92    HE3  LYS  10           3HE      LYS  10  -5.342  10.264 -10.630
   93    HZ1  LYS  10           3HZ      LYS  10  -4.189  12.014  -9.928
   94    HZ2  LYS  10           1HZ      LYS  10  -3.334  11.942 -11.386
   95    HZ3  LYS  10           2HZ      LYS  10  -2.711  11.194 -10.003
   96    H    PHE  11           H        PHE  11  -7.349   6.593  -6.616
   97    HA   PHE  11           HA       PHE  11  -9.247   6.921  -8.847
   98    HB2  PHE  11           2HB      PHE  11  -7.853   4.446  -7.840
   99    HB3  PHE  11           3HB      PHE  11  -9.306   4.362  -8.831
  100    HD1  PHE  11           HD2      PHE  11  -5.897   5.858  -8.803
  101    HD2  PHE  11           HD1      PHE  11  -9.111   4.315 -11.128
  102    HE1  PHE  11           HE2      PHE  11  -4.518   6.051 -10.831
  103    HE2  PHE  11           HE1      PHE  11  -7.737   4.505 -13.160
  104    HZ   PHE  11           HZ       PHE  11  -5.438   5.376 -13.014
  105    H    GLY  12           H        GLY  12 -10.019   8.042  -6.564
  106    HA2  GLY  12           2HA      GLY  12 -11.615   6.077  -5.080
  107    HA3  GLY  12           3HA      GLY  12 -11.300   7.734  -4.584
  108    H    LYS  13           H        LYS  13 -12.344   6.823  -7.806
  109    HA   LYS  13           HA       LYS  13 -14.580   8.616  -7.639
  110    HB2  LYS  13           2HB      LYS  13 -13.521   8.560  -9.743
  111    HB3  LYS  13           3HB      LYS  13 -13.498   6.802  -9.782
  112    HG2  LYS  13           2HG      LYS  13 -16.171   8.019  -9.660
  113    HG3  LYS  13           3HG      LYS  13 -15.256   8.333 -11.137
  114    HD2  LYS  13           2HD      LYS  13 -15.047   5.563 -10.336
  115    HD3  LYS  13           3HD      LYS  13 -16.733   6.050 -10.531
  116    HE2  LYS  13           2HE      LYS  13 -14.590   6.563 -12.586
  117    HE3  LYS  13           3HE      LYS  13 -15.638   5.146 -12.599
  118    HZ1  LYS  13           3HZ      LYS  13 -16.171   7.729 -13.574
  119    HZ2  LYS  13           1HZ      LYS  13 -17.269   7.385 -12.334
  120    HZ3  LYS  13           2HZ      LYS  13 -17.142   6.346 -13.663
  121    H    ASN  14           H        ASN  14 -14.072   5.205  -7.285
  122    HA   ASN  14           HA       ASN  14 -16.984   4.808  -7.068
  123    HB2  ASN  14           2HB      ASN  14 -14.803   3.023  -8.089
  124    HB3  ASN  14           3HB      ASN  14 -16.260   2.312  -7.403
  125   HD21  ASN  14          1HD2      ASN  14 -15.012   2.649 -10.194
  126   HD22  ASN  14          2HD2      ASN  14 -16.353   3.145 -11.165
  127    H    LYS  15           H        LYS  15 -16.027   5.831  -4.869
  128    HA   LYS  15           HA       LYS  15 -14.763   4.150  -3.019
  129    HB2  LYS  15           2HB      LYS  15 -15.608   6.745  -3.010
  130    HB3  LYS  15           3HB      LYS  15 -16.767   6.005  -1.912
  131    HG2  LYS  15           2HG      LYS  15 -15.250   6.280  -0.318
  132    HG3  LYS  15           3HG      LYS  15 -14.333   4.983  -1.089
  133    HD2  LYS  15           2HD      LYS  15 -12.991   6.512  -2.288
  134    HD3  LYS  15           3HD      LYS  15 -14.073   7.860  -1.930
  135    HE2  LYS  15           2HE      LYS  15 -13.485   7.619   0.471
  136    HE3  LYS  15           3HE      LYS  15 -12.317   6.377   0.024
  137    HZ1  LYS  15           3HZ      LYS  15 -11.951   9.139   0.058
  138    HZ2  LYS  15           1HZ      LYS  15 -11.880   8.653  -1.562
  139    HZ3  LYS  15           2HZ      LYS  15 -10.847   7.951  -0.422
  140    H    SER  16           H        SER  16 -18.230   5.000  -3.106
  141    HA   SER  16           HA       SER  16 -19.067   3.066  -1.280
  142    HB2  SER  16           2HB      SER  16 -20.693   4.149  -3.590
  143    HB3  SER  16           3HB      SER  16 -21.312   3.479  -2.081
  144    HG   SER  16           HG       SER  16 -21.340   5.643  -1.784
  145    H    ARG  17           H        ARG  17 -19.534   2.939  -4.817
  146    HA   ARG  17           HA       ARG  17 -20.207   0.193  -4.837
  147    HB2  ARG  17           2HB      ARG  17 -19.406   2.155  -6.968
  148    HB3  ARG  17           3HB      ARG  17 -19.648   0.455  -7.350
  149    HG2  ARG  17           2HG      ARG  17 -21.771   1.023  -7.707
  150    HG3  ARG  17           3HG      ARG  17 -21.916   1.060  -5.949
  151    HD2  ARG  17           2HD      ARG  17 -22.587   3.176  -6.226
  152    HD3  ARG  17           3HD      ARG  17 -20.882   3.533  -6.503
  153    HE   ARG  17           HE       ARG  17 -22.068   2.736  -8.924
  154   HH11  ARG  17          1HH1      ARG  17 -22.080   5.385  -6.665
  155   HH12  ARG  17          2HH1      ARG  17 -22.482   6.573  -7.860
  156   HH21  ARG  17          1HH2      ARG  17 -22.597   4.290 -10.507
  157   HH22  ARG  17          2HH2      ARG  17 -22.777   5.949 -10.045
  Start of MODEL    3
    1    H1   TRP   1           H        TRP   1   1.963  -0.865   0.151
    2    HA   TRP   1           HA       TRP   1   3.812  -0.175  -1.054
    3    HB2  TRP   1           2HB      TRP   1   3.107  -2.061  -2.703
    4    HB3  TRP   1           3HB      TRP   1   2.414  -0.748  -3.650
    5    HD1  TRP   1           HD1      TRP   1   5.812  -0.747  -1.786
    6    HE1  TRP   1           HE1      TRP   1   7.661  -0.256  -3.508
    7    HE3  TRP   1           HE3      TRP   1   2.963  -0.648  -6.030
    8    HZ2  TRP   1           HZ2      TRP   1   7.882   0.125  -6.296
    9    HZ3  TRP   1           HZ3      TRP   1   4.070  -0.214  -8.184
   10    HH2  TRP   1           HH2      TRP   1   6.479   0.165  -8.312
   11    H    LYS   2           H        LYS   2   3.834   1.954  -0.722
   12    HA   LYS   2           HA       LYS   2   1.821   3.776  -1.194
   13    HB2  LYS   2           2HB      LYS   2   3.644   5.508  -1.182
   14    HB3  LYS   2           3HB      LYS   2   3.664   4.403   0.186
   15    HG2  LYS   2           2HG      LYS   2   5.293   3.480  -2.041
   16    HG3  LYS   2           3HG      LYS   2   5.805   5.044  -1.403
   17    HD2  LYS   2           2HD      LYS   2   5.465   3.777   0.908
   18    HD3  LYS   2           3HD      LYS   2   5.785   2.370  -0.109
   19    HE2  LYS   2           2HE      LYS   2   7.913   2.922   0.554
   20    HE3  LYS   2           3HE      LYS   2   7.792   3.820  -0.958
   21    HZ1  LYS   2           3HZ      LYS   2   7.722   4.828   1.805
   22    HZ2  LYS   2           1HZ      LYS   2   6.958   5.706   0.576
   23    HZ3  LYS   2           2HZ      LYS   2   8.617   5.389   0.484
   24    H    LEU   3           H        LEU   3   4.031   2.362  -3.443
   25    HA   LEU   3           HA       LEU   3   3.728   4.339  -5.491
   26    HB2  LEU   3           2HB      LEU   3   5.258   1.967  -5.065
   27    HB3  LEU   3           3HB      LEU   3   4.448   1.851  -6.626
   28    HG   LEU   3           HG       LEU   3   6.593   2.757  -7.037
   29   HD11  LEU   3          1HD1      LEU   3   5.622   5.379  -7.245
   30   HD12  LEU   3          2HD1      LEU   3   4.226   4.320  -7.447
   31   HD13  LEU   3          3HD1      LEU   3   5.635   4.129  -8.490
   32   HD21  LEU   3          3HD2      LEU   3   6.029   4.809  -4.899
   33   HD22  LEU   3          1HD2      LEU   3   7.488   4.694  -5.883
   34   HD23  LEU   3          2HD2      LEU   3   7.102   3.419  -4.726
   35    H    LEU   4           H        LEU   4   2.227   1.231  -4.754
   36    HA   LEU   4           HA       LEU   4   0.571   1.315  -7.125
   37    HB2  LEU   4           2HB      LEU   4   1.272  -0.625  -5.088
   38    HB3  LEU   4           3HB      LEU   4  -0.458  -0.623  -5.426
   39    HG   LEU   4           HG       LEU   4  -0.191  -1.630  -7.413
   40   HD11  LEU   4          1HD1      LEU   4   1.847  -1.136  -8.885
   41   HD12  LEU   4          2HD1      LEU   4   2.184   0.168  -7.748
   42   HD13  LEU   4          3HD1      LEU   4   0.667   0.153  -8.647
   43   HD21  LEU   4          3HD2      LEU   4   2.599  -2.354  -7.116
   44   HD22  LEU   4          1HD2      LEU   4   1.156  -3.366  -7.059
   45   HD23  LEU   4          2HD2      LEU   4   1.705  -2.531  -5.605
   46    H    SER   5           H        SER   5   0.330   2.143  -3.753
   47    HA   SER   5           HA       SER   5  -2.531   2.333  -3.708
   48    HB2  SER   5           2HB      SER   5  -0.341   3.185  -1.826
   49    HB3  SER   5           3HB      SER   5  -2.019   3.647  -1.540
   50    HG   SER   5           HG       SER   5  -2.078   1.762  -0.592
   51    H    LYS   6           H        LYS   6   0.017   4.339  -4.785
   52    HA   LYS   6           HA       LYS   6  -1.670   6.736  -4.715
   53    HB2  LYS   6           2HB      LYS   6   0.292   8.014  -5.086
   54    HB3  LYS   6           3HB      LYS   6   0.728   6.793  -3.898
   55    HG2  LYS   6           2HG      LYS   6   2.526   6.626  -5.269
   56    HG3  LYS   6           3HG      LYS   6   1.460   5.469  -6.070
   57    HD2  LYS   6           2HD      LYS   6   1.306   6.731  -7.912
   58    HD3  LYS   6           3HD      LYS   6   1.056   8.209  -6.979
   59    HE2  LYS   6           2HE      LYS   6   3.766   7.264  -6.706
   60    HE3  LYS   6           3HE      LYS   6   3.343   7.464  -8.406
   61    HZ1  LYS   6           3HZ      LYS   6   3.402   9.490  -6.266
   62    HZ2  LYS   6           1HZ      LYS   6   2.436   9.725  -7.635
   63    HZ3  LYS   6           2HZ      LYS   6   4.109   9.542  -7.801
   64    H    ALA   7           H        ALA   7  -0.465   4.315  -6.832
   65    HA   ALA   7           HA       ALA   7  -1.120   5.899  -9.209
   66    HB1  ALA   7           1HB      ALA   7  -0.002   4.180 -10.487
   67    HB2  ALA   7           2HB      ALA   7   1.038   4.705  -9.162
   68    HB3  ALA   7           3HB      ALA   7   0.166   3.177  -9.046
   69    H    GLN   8           H        GLN   8  -2.482   3.602  -7.142
   70    HA   GLN   8           HA       GLN   8  -4.363   2.690  -9.211
   71    HB2  GLN   8           2HB      GLN   8  -3.125   0.934  -7.950
   72    HB3  GLN   8           3HB      GLN   8  -3.880   1.512  -6.470
   73    HG2  GLN   8           2HG      GLN   8  -5.908   0.625  -6.988
   74    HG3  GLN   8           3HG      GLN   8  -5.655   0.776  -8.726
   75   HE21  GLN   8          1HE2      GLN   8  -6.343  -1.455  -6.692
   76   HE22  GLN   8          2HE2      GLN   8  -5.350  -2.769  -7.214
   77    H    GLU   9           H        GLU   9  -4.058   4.463  -6.252
   78    HA   GLU   9           HA       GLU   9  -6.692   4.430  -5.333
   79    HB2  GLU   9           2HB      GLU   9  -5.093   5.365  -3.886
   80    HB3  GLU   9           3HB      GLU   9  -4.480   6.454  -5.122
   81    HG2  GLU   9           2HG      GLU   9  -6.471   7.797  -4.999
   82    HG3  GLU   9           3HG      GLU   9  -7.210   6.657  -3.875
   83    H    LYS  10           H        LYS  10  -5.279   6.019  -8.054
   84    HA   LYS  10           HA       LYS  10  -7.478   7.878  -8.388
   85    HB2  LYS  10           2HB      LYS  10  -6.287   8.547 -10.448
   86    HB3  LYS  10           3HB      LYS  10  -5.256   8.614  -9.025
   87    HG2  LYS  10           2HG      LYS  10  -3.797   7.235  -9.954
   88    HG3  LYS  10           3HG      LYS  10  -5.054   6.032 -10.253
   89    HD2  LYS  10           2HD      LYS  10  -4.213   6.533 -12.380
   90    HD3  LYS  10           3HD      LYS  10  -5.699   7.479 -12.266
   91    HE2  LYS  10           2HE      LYS  10  -4.572   9.476 -12.085
   92    HE3  LYS  10           3HE      LYS  10  -3.125   8.721 -11.420
   93    HZ1  LYS  10           3HZ      LYS  10  -4.033   8.655 -14.245
   94    HZ2  LYS  10           1HZ      LYS  10  -2.738   7.744 -13.647
   95    HZ3  LYS  10           2HZ      LYS  10  -2.661   9.433 -13.632
   96    H    PHE  11           H        PHE  11  -7.550   4.764  -8.613
   97    HA   PHE  11           HA       PHE  11  -9.057   4.715 -11.145
   98    HB2  PHE  11           2HB      PHE  11  -7.282   2.630  -9.897
   99    HB3  PHE  11           3HB      PHE  11  -8.522   2.192 -11.067
  100    HD1  PHE  11           HD2      PHE  11  -8.390   4.364 -12.996
  101    HD2  PHE  11           HD1      PHE  11  -5.253   2.339 -10.953
  102    HE1  PHE  11           HE2      PHE  11  -6.847   4.908 -14.834
  103    HE2  PHE  11           HE1      PHE  11  -3.704   2.880 -12.787
  104    HZ   PHE  11           HZ       PHE  11  -4.501   4.165 -14.731
  105    H    GLY  12           H        GLY  12  -8.903   3.720  -7.787
  106    HA2  GLY  12           2HA      GLY  12 -11.681   2.741  -7.994
  107    HA3  GLY  12           3HA      GLY  12 -10.526   2.195  -6.787
  108    H    LYS  13           H        LYS  13 -11.309   5.490  -7.847
  109    HA   LYS  13           HA       LYS  13 -11.484   6.388  -5.128
  110    HB2  LYS  13           2HB      LYS  13 -10.585   7.964  -6.629
  111    HB3  LYS  13           3HB      LYS  13 -11.868   7.708  -7.803
  112    HG2  LYS  13           2HG      LYS  13 -12.746   8.706  -5.182
  113    HG3  LYS  13           3HG      LYS  13 -11.741   9.811  -6.123
  114    HD2  LYS  13           2HD      LYS  13 -13.710   8.583  -7.816
  115    HD3  LYS  13           3HD      LYS  13 -14.491   9.317  -6.414
  116    HE2  LYS  13           2HE      LYS  13 -13.478  11.439  -6.888
  117    HE3  LYS  13           3HE      LYS  13 -12.490  10.734  -8.167
  118    HZ1  LYS  13           3HZ      LYS  13 -15.361  10.393  -8.447
  119    HZ2  LYS  13           1HZ      LYS  13 -14.193  10.756  -9.616
  120    HZ3  LYS  13           2HZ      LYS  13 -14.793  11.978  -8.612
  121    H    ASN  14           H        ASN  14 -13.720   5.333  -7.559
  122    HA   ASN  14           HA       ASN  14 -16.021   6.386  -6.119
  123    HB2  ASN  14           2HB      ASN  14 -15.758   6.278  -8.694
  124    HB3  ASN  14           3HB      ASN  14 -16.164   4.574  -8.515
  125   HD21  ASN  14          1HD2      ASN  14 -17.573   6.890  -9.762
  126   HD22  ASN  14          2HD2      ASN  14 -19.150   6.876  -9.057
  127    H    LYS  15           H        LYS  15 -14.685   4.686  -4.500
  128    HA   LYS  15           HA       LYS  15 -15.403   1.976  -4.644
  129    HB2  LYS  15           2HB      LYS  15 -14.689   1.808  -2.376
  130    HB3  LYS  15           3HB      LYS  15 -13.643   2.987  -3.155
  131    HG2  LYS  15           2HG      LYS  15 -15.377   4.702  -2.208
  132    HG3  LYS  15           3HG      LYS  15 -15.746   3.390  -1.087
  133    HD2  LYS  15           2HD      LYS  15 -14.024   4.101   0.138
  134    HD3  LYS  15           3HD      LYS  15 -12.972   3.489  -1.140
  135    HE2  LYS  15           2HE      LYS  15 -13.332   5.755  -2.269
  136    HE3  LYS  15           3HE      LYS  15 -13.979   6.287  -0.718
  137    HZ1  LYS  15           3HZ      LYS  15 -11.443   6.531  -1.315
  138    HZ2  LYS  15           1HZ      LYS  15 -11.380   4.949  -0.718
  139    HZ3  LYS  15           2HZ      LYS  15 -11.950   6.202   0.265
  140    H    SER  16           H        SER  16 -17.145   4.784  -3.563
  141    HA   SER  16           HA       SER  16 -19.101   3.546  -1.977
  142    HB2  SER  16           2HB      SER  16 -18.883   5.937  -1.915
  143    HB3  SER  16           3HB      SER  16 -19.198   6.067  -3.645
  144    HG   SER  16           HG       SER  16 -20.952   6.190  -1.710
  145    H    ARG  17           H        ARG  17 -19.653   4.829  -5.256
  146    HA   ARG  17           HA       ARG  17 -21.723   2.801  -5.643
  147    HB2  ARG  17           2HB      ARG  17 -21.049   5.370  -7.060
  148    HB3  ARG  17           3HB      ARG  17 -22.160   4.198  -7.756
  149    HG2  ARG  17           2HG      ARG  17 -22.490   5.531  -5.076
  150    HG3  ARG  17           3HG      ARG  17 -23.321   5.992  -6.562
  151    HD2  ARG  17           2HD      ARG  17 -24.033   3.467  -6.573
  152    HD3  ARG  17           3HD      ARG  17 -23.683   3.578  -4.848
  153    HE   ARG  17           HE       ARG  17 -25.291   5.721  -5.350
  154   HH11  ARG  17          1HH1      ARG  17 -25.546   2.288  -5.867
  155   HH12  ARG  17          2HH1      ARG  17 -27.270   2.259  -5.704
  156   HH21  ARG  17          1HH2      ARG  17 -27.562   5.697  -5.133
  157   HH22  ARG  17          2HH2      ARG  17 -28.416   4.199  -5.287
  Start of MODEL    4
    1    H1   TRP   1           H        TRP   1   2.407   0.666   1.125
    2    HA   TRP   1           HA       TRP   1   3.432   0.246  -0.861
    3    HB2  TRP   1           2HB      TRP   1   1.423  -1.410  -0.856
    4    HB3  TRP   1           3HB      TRP   1   0.751  -0.339  -2.081
    5    HD1  TRP   1           HD1      TRP   1   4.433  -1.502  -1.759
    6    HE1  TRP   1           HE1      TRP   1   5.089  -2.673  -3.955
    7    HE3  TRP   1           HE3      TRP   1  -0.088  -1.352  -4.142
    8    HZ2  TRP   1           HZ2      TRP   1   3.854  -3.432  -6.377
    9    HZ3  TRP   1           HZ3      TRP   1  -0.266  -2.321  -6.396
   10    HH2  TRP   1           HH2      TRP   1   1.666  -3.339  -7.489
   11    H    LYS   2           H        LYS   2   4.259   2.005  -1.789
   12    HA   LYS   2           HA       LYS   2   2.959   4.330  -2.500
   13    HB2  LYS   2           2HB      LYS   2   4.915   4.642  -4.119
   14    HB3  LYS   2           3HB      LYS   2   5.307   4.414  -2.420
   15    HG2  LYS   2           2HG      LYS   2   6.520   2.616  -2.871
   16    HG3  LYS   2           3HG      LYS   2   5.201   1.883  -3.787
   17    HD2  LYS   2           2HD      LYS   2   6.993   2.106  -5.308
   18    HD3  LYS   2           3HD      LYS   2   5.870   3.410  -5.699
   19    HE2  LYS   2           2HE      LYS   2   7.483   4.598  -3.850
   20    HE3  LYS   2           3HE      LYS   2   8.613   3.521  -4.669
   21    HZ1  LYS   2           3HZ      LYS   2   6.969   5.677  -5.860
   22    HZ2  LYS   2           1HZ      LYS   2   7.728   4.492  -6.799
   23    HZ3  LYS   2           2HZ      LYS   2   8.655   5.538  -5.846
   24    H    LEU   3           H        LEU   3   3.047   1.304  -4.166
   25    HA   LEU   3           HA       LEU   3   2.275   2.317  -6.730
   26    HB2  LEU   3           2HB      LEU   3   3.009  -0.197  -5.594
   27    HB3  LEU   3           3HB      LEU   3   1.488  -0.386  -6.464
   28    HG   LEU   3           HG       LEU   3   3.220  -0.948  -7.976
   29   HD11  LEU   3          1HD1      LEU   3   2.047   0.127  -9.522
   30   HD12  LEU   3          2HD1      LEU   3   3.113   1.513  -9.293
   31   HD13  LEU   3          3HD1      LEU   3   1.607   1.399  -8.382
   32   HD21  LEU   3          3HD2      LEU   3   5.121   0.472  -8.448
   33   HD22  LEU   3          1HD2      LEU   3   5.063   0.105  -6.724
   34   HD23  LEU   3          2HD2      LEU   3   4.535   1.684  -7.307
   35    H    LEU   4           H        LEU   4   0.585   0.934  -3.957
   36    HA   LEU   4           HA       LEU   4  -1.983   1.072  -5.282
   37    HB2  LEU   4           2HB      LEU   4  -0.893  -0.125  -2.878
   38    HB3  LEU   4           3HB      LEU   4  -2.434   0.673  -2.573
   39    HG   LEU   4           HG       LEU   4  -3.605  -0.922  -3.627
   40   HD11  LEU   4          1HD1      LEU   4  -1.398  -0.883  -5.656
   41   HD12  LEU   4          2HD1      LEU   4  -3.083  -0.396  -5.839
   42   HD13  LEU   4          3HD1      LEU   4  -2.670  -2.105  -5.697
   43   HD21  LEU   4          3HD2      LEU   4  -2.864  -2.867  -2.838
   44   HD22  LEU   4          1HD2      LEU   4  -1.392  -2.015  -2.369
   45   HD23  LEU   4          2HD2      LEU   4  -1.468  -2.857  -3.917
   46    H    SER   5           H        SER   5  -0.089   2.981  -3.074
   47    HA   SER   5           HA       SER   5  -2.253   4.651  -2.209
   48    HB2  SER   5           2HB      SER   5   0.743   4.799  -1.952
   49    HB3  SER   5           3HB      SER   5  -0.283   6.137  -1.437
   50    HG   SER   5           HG       SER   5   0.200   3.767  -0.213
   51    H    LYS   6           H        LYS   6  -0.253   4.511  -4.975
   52    HA   LYS   6           HA       LYS   6  -0.831   7.295  -5.693
   53    HB2  LYS   6           2HB      LYS   6   0.879   7.130  -7.329
   54    HB3  LYS   6           3HB      LYS   6   1.512   6.351  -5.884
   55    HG2  LYS   6           2HG      LYS   6   2.123   4.806  -7.423
   56    HG3  LYS   6           3HG      LYS   6   0.508   4.198  -7.054
   57    HD2  LYS   6           2HD      LYS   6  -0.254   4.662  -9.111
   58    HD3  LYS   6           3HD      LYS   6   0.536   6.240  -9.143
   59    HE2  LYS   6           2HE      LYS   6   2.260   5.458 -10.328
   60    HE3  LYS   6           3HE      LYS   6   2.434   4.046  -9.288
   61    HZ1  LYS   6           3HZ      LYS   6   1.208   2.775 -10.660
   62    HZ2  LYS   6           1HZ      LYS   6   1.666   3.912 -11.826
   63    HZ3  LYS   6           2HZ      LYS   6   0.151   4.026 -11.083
   64    H    ALA   7           H        ALA   7  -1.757   4.058  -6.375
   65    HA   ALA   7           HA       ALA   7  -3.105   4.840  -8.857
   66    HB1  ALA   7           1HB      ALA   7  -3.431   2.480  -9.255
   67    HB2  ALA   7           2HB      ALA   7  -1.737   2.787  -8.870
   68    HB3  ALA   7           3HB      ALA   7  -2.806   2.092  -7.652
   69    H    GLN   8           H        GLN   8  -3.717   4.463  -5.558
   70    HA   GLN   8           HA       GLN   8  -6.591   4.048  -6.026
   71    HB2  GLN   8           2HB      GLN   8  -5.451   2.442  -4.501
   72    HB3  GLN   8           3HB      GLN   8  -5.061   3.784  -3.433
   73    HG2  GLN   8           2HG      GLN   8  -7.202   4.002  -2.688
   74    HG3  GLN   8           3HG      GLN   8  -7.903   3.376  -4.180
   75   HE21  GLN   8          1HE2      GLN   8  -8.823   1.477  -3.978
   76   HE22  GLN   8          2HE2      GLN   8  -8.380   0.236  -2.861
   77    H    GLU   9           H        GLU   9  -4.211   6.265  -4.845
   78    HA   GLU   9           HA       GLU   9  -5.764   7.931  -3.239
   79    HB2  GLU   9           2HB      GLU   9  -3.451   8.325  -3.199
   80    HB3  GLU   9           3HB      GLU   9  -3.343   8.414  -4.951
   81    HG2  GLU   9           2HG      GLU   9  -3.937  10.588  -5.020
   82    HG3  GLU   9           3HG      GLU   9  -5.031  10.448  -3.645
   83    H    LYS  10           H        LYS  10  -5.653   7.577  -6.690
   84    HA   LYS  10           HA       LYS  10  -7.114  10.036  -7.178
   85    HB2  LYS  10           2HB      LYS  10  -6.856   9.572  -9.487
   86    HB3  LYS  10           3HB      LYS  10  -5.340   9.101  -8.730
   87    HG2  LYS  10           2HG      LYS  10  -6.012   6.768  -8.786
   88    HG3  LYS  10           3HG      LYS  10  -7.565   7.220  -9.493
   89    HD2  LYS  10           2HD      LYS  10  -4.859   7.695 -10.745
   90    HD3  LYS  10           3HD      LYS  10  -5.984   6.409 -11.189
   91    HE2  LYS  10           2HE      LYS  10  -7.642   8.434 -11.497
   92    HE3  LYS  10           3HE      LYS  10  -6.143   9.340 -11.696
   93    HZ1  LYS  10           3HZ      LYS  10  -6.654   6.867 -13.228
   94    HZ2  LYS  10           1HZ      LYS  10  -5.565   8.115 -13.569
   95    HZ3  LYS  10           2HZ      LYS  10  -7.226   8.365 -13.767
   96    H    PHE  11           H        PHE  11  -8.128   7.492  -5.708
   97    HA   PHE  11           HA       PHE  11 -10.661   7.297  -7.202
   98    HB2  PHE  11           2HB      PHE  11  -9.158   5.200  -5.647
   99    HB3  PHE  11           3HB      PHE  11 -10.875   5.038  -5.999
  100    HD1  PHE  11           HD1      PHE  11  -7.562   5.486  -7.605
  101    HD2  PHE  11           HD2      PHE  11 -11.592   4.190  -8.045
  102    HE1  PHE  11           HE1      PHE  11  -7.014   4.544  -9.811
  103    HE2  PHE  11           HE2      PHE  11 -11.051   3.244 -10.251
  104    HZ   PHE  11           HZ       PHE  11  -8.759   3.420 -11.136
  105    H    GLY  12           H        GLY  12  -9.806   9.182  -5.072
  106    HA2  GLY  12           2HA      GLY  12 -11.014   8.480  -2.614
  107    HA3  GLY  12           3HA      GLY  12 -10.639  10.112  -3.145
  108    H    LYS  13           H        LYS  13 -12.311   9.766  -5.580
  109    HA   LYS  13           HA       LYS  13 -14.938  10.053  -4.275
  110    HB2  LYS  13           2HB      LYS  13 -14.232  11.280  -6.926
  111    HB3  LYS  13           3HB      LYS  13 -15.516  11.733  -5.812
  112    HG2  LYS  13           2HG      LYS  13 -14.201  13.292  -4.963
  113    HG3  LYS  13           3HG      LYS  13 -13.080  12.040  -4.425
  114    HD2  LYS  13           2HD      LYS  13 -12.152  12.104  -6.810
  115    HD3  LYS  13           3HD      LYS  13 -13.047  13.616  -6.984
  116    HE2  LYS  13           2HE      LYS  13 -11.046  14.445  -6.271
  117    HE3  LYS  13           3HE      LYS  13 -11.820  14.180  -4.709
  118    HZ1  LYS  13           3HZ      LYS  13 -10.707  11.873  -4.880
  119    HZ2  LYS  13           1HZ      LYS  13  -9.769  13.206  -4.427
  120    HZ3  LYS  13           2HZ      LYS  13  -9.693  12.617  -6.010
  121    H    ASN  14           H        ASN  14 -13.116   8.357  -6.621
  122    HA   ASN  14           HA       ASN  14 -15.495   7.341  -7.978
  123    HB2  ASN  14           2HB      ASN  14 -13.369   8.028  -9.213
  124    HB3  ASN  14           3HB      ASN  14 -12.633   6.574  -8.546
  125   HD21  ASN  14          1HD2      ASN  14 -12.392   6.155 -10.893
  126   HD22  ASN  14          2HD2      ASN  14 -13.684   5.339 -11.700
  127    H    LYS  15           H        LYS  15 -15.840   6.488  -5.584
  128    HA   LYS  15           HA       LYS  15 -14.511   3.924  -5.170
  129    HB2  LYS  15           2HB      LYS  15 -16.401   5.568  -3.493
  130    HB3  LYS  15           3HB      LYS  15 -15.946   3.926  -3.057
  131    HG2  LYS  15           2HG      LYS  15 -13.854   4.520  -2.436
  132    HG3  LYS  15           3HG      LYS  15 -13.740   5.801  -3.645
  133    HD2  LYS  15           2HD      LYS  15 -13.873   7.051  -1.727
  134    HD3  LYS  15           3HD      LYS  15 -15.583   6.931  -2.146
  135    HE2  LYS  15           2HE      LYS  15 -16.054   5.573  -0.394
  136    HE3  LYS  15           3HE      LYS  15 -14.488   4.765  -0.462
  137    HZ1  LYS  15           3HZ      LYS  15 -14.548   7.563   0.388
  138    HZ2  LYS  15           1HZ      LYS  15 -13.528   6.307   0.880
  139    HZ3  LYS  15           2HZ      LYS  15 -15.106   6.398   1.480
  140    H    SER  16           H        SER  16 -15.913   3.739  -7.431
  141    HA   SER  16           HA       SER  16 -18.599   2.802  -6.957
  142    HB2  SER  16           2HB      SER  16 -18.731   2.469  -9.321
  143    HB3  SER  16           3HB      SER  16 -17.831   3.965  -9.074
  144    HG   SER  16           HG       SER  16 -16.089   3.058  -9.863
  145    H    ARG  17           H        ARG  17 -15.418   1.416  -7.345
  146    HA   ARG  17           HA       ARG  17 -16.282  -1.266  -7.771
  147    HB2  ARG  17           2HB      ARG  17 -13.771   0.152  -7.530
  148    HB3  ARG  17           3HB      ARG  17 -13.728  -1.354  -6.623
  149    HG2  ARG  17           2HG      ARG  17 -12.902  -1.638  -8.902
  150    HG3  ARG  17           3HG      ARG  17 -14.355  -2.597  -8.609
  151    HD2  ARG  17           2HD      ARG  17 -15.639  -1.333 -10.009
  152    HD3  ARG  17           3HD      ARG  17 -14.704   0.133  -9.716
  153    HE   ARG  17           HE       ARG  17 -13.459  -0.378 -11.552
  154   HH11  ARG  17          1HH1      ARG  17 -14.942  -3.301 -10.378
  155   HH12  ARG  17          2HH1      ARG  17 -14.359  -4.277 -11.686
  156   HH21  ARG  17          1HH2      ARG  17 -12.686  -1.652 -13.279
  157   HH22  ARG  17          2HH2      ARG  17 -13.075  -3.338 -13.335
  Start of MODEL    5
    1    H1   TRP   1           H        TRP   1   0.032  -1.690  -1.540
    2    HA   TRP   1           HA       TRP   1   2.942  -1.291  -1.590
    3    HB2  TRP   1           2HB      TRP   1   1.665  -2.809  -3.274
    4    HB3  TRP   1           3HB      TRP   1   1.195  -1.291  -4.033
    5    HD1  TRP   1           HD1      TRP   1   4.675  -2.211  -2.598
    6    HE1  TRP   1           HE1      TRP   1   6.402  -1.966  -4.491
    7    HE3  TRP   1           HE3      TRP   1   1.507  -1.079  -6.447
    8    HZ2  TRP   1           HZ2      TRP   1   6.419  -1.371  -7.250
    9    HZ3  TRP   1           HZ3      TRP   1   2.459  -0.686  -8.682
   10    HH2  TRP   1           HH2      TRP   1   4.865  -0.829  -9.073
   11    H    LYS   2           H        LYS   2   3.476   0.739  -1.102
   12    HA   LYS   2           HA       LYS   2   1.895   2.994  -1.197
   13    HB2  LYS   2           2HB      LYS   2   4.026   4.286  -1.231
   14    HB3  LYS   2           3HB      LYS   2   3.993   3.013  -0.018
   15    HG2  LYS   2           2HG      LYS   2   5.969   2.392  -0.819
   16    HG3  LYS   2           3HG      LYS   2   5.088   1.763  -2.213
   17    HD2  LYS   2           2HD      LYS   2   6.572   3.117  -3.294
   18    HD3  LYS   2           3HD      LYS   2   5.282   4.286  -3.005
   19    HE2  LYS   2           2HE      LYS   2   6.441   5.346  -1.315
   20    HE3  LYS   2           3HE      LYS   2   7.423   3.926  -0.957
   21    HZ1  LYS   2           3HZ      LYS   2   8.261   6.055  -2.371
   22    HZ2  LYS   2           1HZ      LYS   2   7.809   4.993  -3.608
   23    HZ3  LYS   2           2HZ      LYS   2   8.952   4.514  -2.458
   24    H    LEU   3           H        LEU   3   3.500   1.366  -3.794
   25    HA   LEU   3           HA       LEU   3   3.445   3.548  -5.642
   26    HB2  LEU   3           2HB      LEU   3   4.432   0.875  -5.575
   27    HB3  LEU   3           3HB      LEU   3   3.447   1.075  -7.023
   28    HG   LEU   3           HG       LEU   3   5.677   1.532  -7.654
   29   HD11  LEU   3          1HD1      LEU   3   5.309   4.310  -7.561
   30   HD12  LEU   3          2HD1      LEU   3   3.696   3.603  -7.646
   31   HD13  LEU   3          3HD1      LEU   3   4.897   3.209  -8.875
   32   HD21  LEU   3          3HD2      LEU   3   5.917   3.582  -5.468
   33   HD22  LEU   3          1HD2      LEU   3   7.188   2.921  -6.496
   34   HD23  LEU   3          2HD2      LEU   3   6.435   1.907  -5.264
   35    H    LEU   4           H        LEU   4   1.356   0.780  -4.969
   36    HA   LEU   4           HA       LEU   4  -0.471   1.466  -7.102
   37    HB2  LEU   4           2HB      LEU   4  -0.034  -0.772  -5.312
   38    HB3  LEU   4           3HB      LEU   4  -1.742  -0.357  -5.442
   39    HG   LEU   4           HG       LEU   4  -1.911  -1.194  -7.516
   40   HD11  LEU   4          1HD1      LEU   4   0.770   0.059  -7.992
   41   HD12  LEU   4          2HD1      LEU   4  -0.788   0.461  -8.712
   42   HD13  LEU   4          3HD1      LEU   4   0.038  -1.026  -9.174
   43   HD21  LEU   4          3HD2      LEU   4   0.654  -2.545  -7.596
   44   HD22  LEU   4          1HD2      LEU   4  -0.973  -3.212  -7.458
   45   HD23  LEU   4          2HD2      LEU   4  -0.117  -2.671  -6.014
   46    H    SER   5           H        SER   5  -0.175   1.982  -3.672
   47    HA   SER   5           HA       SER   5  -2.894   2.794  -3.267
   48    HB2  SER   5           2HB      SER   5  -0.388   2.961  -1.605
   49    HB3  SER   5           3HB      SER   5  -1.886   3.734  -1.084
   50    HG   SER   5           HG       SER   5  -2.643   1.850  -0.555
   51    H    LYS   6           H        LYS   6  -0.094   4.280  -4.523
   52    HA   LYS   6           HA       LYS   6  -1.186   6.971  -4.083
   53    HB2  LYS   6           2HB      LYS   6   0.973   7.836  -4.519
   54    HB3  LYS   6           3HB      LYS   6   1.225   6.430  -3.492
   55    HG2  LYS   6           2HG      LYS   6   2.833   6.043  -5.043
   56    HG3  LYS   6           3HG      LYS   6   1.484   5.223  -5.833
   57    HD2  LYS   6           2HD      LYS   6   1.427   6.700  -7.521
   58    HD3  LYS   6           3HD      LYS   6   1.650   8.080  -6.441
   59    HE2  LYS   6           2HE      LYS   6   4.014   7.754  -6.397
   60    HE3  LYS   6           3HE      LYS   6   3.874   6.210  -7.236
   61    HZ1  LYS   6           3HZ      LYS   6   4.496   8.418  -8.496
   62    HZ2  LYS   6           1HZ      LYS   6   2.814   8.582  -8.575
   63    HZ3  LYS   6           2HZ      LYS   6   3.562   7.215  -9.232
   64    H    ALA   7           H        ALA   7  -0.780   4.546  -6.457
   65    HA   ALA   7           HA       ALA   7  -1.202   6.448  -8.650
   66    HB1  ALA   7           1HB      ALA   7  -0.589   3.500  -8.807
   67    HB2  ALA   7           2HB      ALA   7  -0.610   4.649 -10.145
   68    HB3  ALA   7           3HB      ALA   7   0.614   4.787  -8.883
   69    H    GLN   8           H        GLN   8  -2.908   4.357  -6.625
   70    HA   GLN   8           HA       GLN   8  -5.118   4.138  -8.559
   71    HB2  GLN   8           2HB      GLN   8  -4.629   2.494  -6.070
   72    HB3  GLN   8           3HB      GLN   8  -5.945   2.270  -7.214
   73    HG2  GLN   8           2HG      GLN   8  -4.419   1.608  -8.935
   74    HG3  GLN   8           3HG      GLN   8  -3.034   2.005  -7.920
   75   HE21  GLN   8          1HE2      GLN   8  -4.345  -0.516  -9.193
   76   HE22  GLN   8          2HE2      GLN   8  -4.230  -1.680  -7.922
   77    H    GLU   9           H        GLU   9  -4.120   5.405  -5.506
   78    HA   GLU   9           HA       GLU   9  -6.572   5.796  -4.238
   79    HB2  GLU   9           2HB      GLU   9  -4.710   6.231  -2.908
   80    HB3  GLU   9           3HB      GLU   9  -3.940   7.225  -4.137
   81    HG2  GLU   9           2HG      GLU   9  -5.406   9.041  -3.710
   82    HG3  GLU   9           3HG      GLU   9  -6.440   8.045  -2.686
   83    H    LYS  10           H        LYS  10  -5.180   7.385  -6.969
   84    HA   LYS  10           HA       LYS  10  -6.922   9.690  -6.817
   85    HB2  LYS  10           2HB      LYS  10  -5.829  10.460  -8.787
   86    HB3  LYS  10           3HB      LYS  10  -4.586   9.750  -7.765
   87    HG2  LYS  10           2HG      LYS  10  -5.639   7.741  -9.501
   88    HG3  LYS  10           3HG      LYS  10  -5.176   9.157 -10.448
   89    HD2  LYS  10           2HD      LYS  10  -3.386   7.864  -8.397
   90    HD3  LYS  10           3HD      LYS  10  -3.359   7.453 -10.113
   91    HE2  LYS  10           2HE      LYS  10  -2.318   9.372 -10.688
   92    HE3  LYS  10           3HE      LYS  10  -3.194  10.327  -9.493
   93    HZ1  LYS  10           3HZ      LYS  10  -0.648   8.949  -9.259
   94    HZ2  LYS  10           1HZ      LYS  10  -1.660   8.851  -7.906
   95    HZ3  LYS  10           2HZ      LYS  10  -1.190  10.362  -8.503
   96    H    PHE  11           H        PHE  11  -7.674   6.666  -7.340
   97    HA   PHE  11           HA       PHE  11  -9.556   7.271  -9.525
   98    HB2  PHE  11           2HB      PHE  11  -8.166   4.671  -8.868
   99    HB3  PHE  11           3HB      PHE  11  -9.530   4.785  -9.975
  100    HD1  PHE  11           HD2      PHE  11  -8.968   7.202 -11.477
  101    HD2  PHE  11           HD1      PHE  11  -6.315   4.154 -10.138
  102    HE1  PHE  11           HE2      PHE  11  -7.428   7.738 -13.320
  103    HE2  PHE  11           HE1      PHE  11  -4.770   4.686 -11.978
  104    HZ   PHE  11           HZ       PHE  11  -5.326   6.479 -13.573
  105    H    GLY  12           H        GLY  12  -9.791   7.564  -6.564
  106    HA2  GLY  12           2HA      GLY  12 -11.882   5.577  -5.992
  107    HA3  GLY  12           3HA      GLY  12 -11.071   6.579  -4.798
  108    H    LYS  13           H        LYS  13 -13.035   7.027  -7.743
  109    HA   LYS  13           HA       LYS  13 -14.466   9.180  -6.330
  110    HB2  LYS  13           2HB      LYS  13 -14.575   8.902  -9.301
  111    HB3  LYS  13           3HB      LYS  13 -14.691  10.349  -8.309
  112    HG2  LYS  13           2HG      LYS  13 -12.605  10.743  -8.994
  113    HG3  LYS  13           3HG      LYS  13 -12.145   9.534  -7.793
  114    HD2  LYS  13           2HD      LYS  13 -11.165   8.482  -9.516
  115    HD3  LYS  13           3HD      LYS  13 -12.802   7.979  -9.942
  116    HE2  LYS  13           2HE      LYS  13 -11.545  10.528 -10.935
  117    HE3  LYS  13           3HE      LYS  13 -11.442   8.999 -11.806
  118    HZ1  LYS  13           3HZ      LYS  13 -13.276   9.967 -12.755
  119    HZ2  LYS  13           1HZ      LYS  13 -13.788  10.701 -11.319
  120    HZ3  LYS  13           2HZ      LYS  13 -14.006   9.039 -11.543
  121    H    ASN  14           H        ASN  14 -14.745   6.112  -7.829
  122    HA   ASN  14           HA       ASN  14 -17.684   6.295  -7.710
  123    HB2  ASN  14           2HB      ASN  14 -17.698   4.408  -9.341
  124    HB3  ASN  14           3HB      ASN  14 -16.957   5.874  -9.978
  125   HD21  ASN  14          1HD2      ASN  14 -16.425   2.621  -8.908
  126   HD22  ASN  14          2HD2      ASN  14 -14.813   2.468  -9.511
  127    H    LYS  15           H        LYS  15 -16.145   5.794  -5.412
  128    HA   LYS  15           HA       LYS  15 -16.767   2.958  -4.901
  129    HB2  LYS  15           2HB      LYS  15 -15.007   3.028  -3.154
  130    HB3  LYS  15           3HB      LYS  15 -14.378   3.305  -4.773
  131    HG2  LYS  15           2HG      LYS  15 -13.381   5.117  -3.987
  132    HG3  LYS  15           3HG      LYS  15 -14.979   5.842  -3.794
  133    HD2  LYS  15           2HD      LYS  15 -14.289   6.033  -1.642
  134    HD3  LYS  15           3HD      LYS  15 -14.893   4.376  -1.553
  135    HE2  LYS  15           2HE      LYS  15 -12.621   3.549  -2.011
  136    HE3  LYS  15           3HE      LYS  15 -12.034   5.211  -2.041
  137    HZ1  LYS  15           3HZ      LYS  15 -12.602   5.471   0.249
  138    HZ2  LYS  15           1HZ      LYS  15 -11.679   4.061   0.102
  139    HZ3  LYS  15           2HZ      LYS  15 -13.355   3.957   0.303
  140    H    SER  16           H        SER  16 -18.558   5.241  -4.661
  141    HA   SER  16           HA       SER  16 -19.031   5.169  -1.752
  142    HB2  SER  16           2HB      SER  16 -20.097   7.371  -1.953
  143    HB3  SER  16           3HB      SER  16 -18.431   7.429  -2.529
  144    HG   SER  16           HG       SER  16 -20.785   7.807  -3.897
  145    H    ARG  17           H        ARG  17 -19.954   3.309  -3.831
  146    HA   ARG  17           HA       ARG  17 -22.774   3.866  -4.165
  147    HB2  ARG  17           2HB      ARG  17 -22.864   1.890  -5.476
  148    HB3  ARG  17           3HB      ARG  17 -21.342   2.675  -5.875
  149    HG2  ARG  17           2HG      ARG  17 -20.310   1.117  -4.114
  150    HG3  ARG  17           3HG      ARG  17 -21.812   0.202  -4.258
  151    HD2  ARG  17           2HD      ARG  17 -20.742   0.865  -6.855
  152    HD3  ARG  17           3HD      ARG  17 -19.550   0.006  -5.879
  153    HE   ARG  17           HE       ARG  17 -21.925  -1.078  -7.034
  154   HH11  ARG  17          1HH1      ARG  17 -19.735  -1.344  -4.341
  155   HH12  ARG  17          2HH1      ARG  17 -20.087  -3.016  -4.052
  156   HH21  ARG  17          1HH2      ARG  17 -22.396  -3.279  -6.664
  157   HH22  ARG  17          2HH2      ARG  17 -21.600  -4.116  -5.375
  Start of MODEL    6
    1    H1   TRP   1           H        TRP   1   3.588   1.995   0.944
    2    HA   TRP   1           HA       TRP   1   5.065   1.434  -0.885
    3    HB2  TRP   1           2HB      TRP   1   3.691  -0.763  -1.130
    4    HB3  TRP   1           3HB      TRP   1   2.727   0.163  -2.277
    5    HD1  TRP   1           HD1      TRP   1   6.584   0.198  -1.898
    6    HE1  TRP   1           HE1      TRP   1   7.609  -0.468  -4.163
    7    HE3  TRP   1           HE3      TRP   1   2.284  -0.841  -4.461
    8    HZ2  TRP   1           HZ2      TRP   1   6.713  -1.320  -6.701
    9    HZ3  TRP   1           HZ3      TRP   1   2.455  -1.575  -6.803
   10    HH2  TRP   1           HH2      TRP   1   4.625  -1.808  -7.898
   11    H    LYS   2           H        LYS   2   5.298   3.453  -1.600
   12    HA   LYS   2           HA       LYS   2   3.333   5.308  -2.146
   13    HB2  LYS   2           2HB      LYS   2   5.043   6.522  -3.448
   14    HB3  LYS   2           3HB      LYS   2   5.668   5.932  -1.914
   15    HG2  LYS   2           2HG      LYS   2   7.385   5.219  -3.160
   16    HG3  LYS   2           3HG      LYS   2   6.311   3.872  -3.544
   17    HD2  LYS   2           2HD      LYS   2   7.128   4.639  -5.618
   18    HD3  LYS   2           3HD      LYS   2   5.488   5.280  -5.493
   19    HE2  LYS   2           2HE      LYS   2   6.970   6.997  -6.323
   20    HE3  LYS   2           3HE      LYS   2   6.418   7.424  -4.704
   21    HZ1  LYS   2           3HZ      LYS   2   8.880   7.706  -5.240
   22    HZ2  LYS   2           1HZ      LYS   2   8.983   6.021  -5.124
   23    HZ3  LYS   2           2HZ      LYS   2   8.482   6.932  -3.790
   24    H    LEU   3           H        LEU   3   4.406   2.658  -4.087
   25    HA   LEU   3           HA       LEU   3   3.386   3.638  -6.576
   26    HB2  LEU   3           2HB      LEU   3   4.870   1.382  -5.652
   27    HB3  LEU   3           3HB      LEU   3   3.500   0.812  -6.603
   28    HG   LEU   3           HG       LEU   3   5.334   0.988  -8.086
   29   HD11  LEU   3          1HD1      LEU   3   3.921   1.812  -9.582
   30   HD12  LEU   3          2HD1      LEU   3   4.459   3.432  -9.140
   31   HD13  LEU   3          3HD1      LEU   3   3.060   2.718  -8.338
   32   HD21  LEU   3          3HD2      LEU   3   5.746   3.809  -7.102
   33   HD22  LEU   3          1HD2      LEU   3   6.694   2.975  -8.334
   34   HD23  LEU   3          2HD2      LEU   3   6.740   2.420  -6.660
   35    H    LEU   4           H        LEU   4   2.189   1.508  -4.029
   36    HA   LEU   4           HA       LEU   4  -0.271   0.966  -5.453
   37    HB2  LEU   4           2HB      LEU   4   1.112  -0.072  -3.126
   38    HB3  LEU   4           3HB      LEU   4  -0.608   0.162  -2.818
   39    HG   LEU   4           HG       LEU   4  -1.195  -1.600  -4.074
   40   HD11  LEU   4          1HD1      LEU   4   0.914  -0.654  -5.983
   41   HD12  LEU   4          2HD1      LEU   4  -0.835  -0.707  -6.198
   42   HD13  LEU   4          3HD1      LEU   4   0.099  -2.203  -6.201
   43   HD21  LEU   4          3HD2      LEU   4   0.117  -3.286  -3.443
   44   HD22  LEU   4          1HD2      LEU   4   1.230  -2.067  -2.820
   45   HD23  LEU   4          2HD2      LEU   4   1.455  -2.718  -4.444
   46    H    SER   5           H        SER   5   0.884   3.131  -2.986
   47    HA   SER   5           HA       SER   5  -1.711   3.931  -2.066
   48    HB2  SER   5           2HB      SER   5   1.077   4.992  -1.659
   49    HB3  SER   5           3HB      SER   5  -0.330   5.873  -1.065
   50    HG   SER   5           HG       SER   5   0.469   3.239  -0.381
   51    H    LYS   6           H        LYS   6   0.265   4.722  -4.738
   52    HA   LYS   6           HA       LYS   6  -1.162   7.239  -5.213
   53    HB2  LYS   6           2HB      LYS   6   0.532   7.798  -6.775
   54    HB3  LYS   6           3HB      LYS   6   1.362   7.111  -5.385
   55    HG2  LYS   6           2HG      LYS   6   2.454   6.011  -7.037
   56    HG3  LYS   6           3HG      LYS   6   1.113   4.887  -6.801
   57    HD2  LYS   6           2HD      LYS   6   0.276   5.295  -8.839
   58    HD3  LYS   6           3HD      LYS   6   0.504   7.038  -8.678
   59    HE2  LYS   6           2HE      LYS   6   2.523   7.000  -9.698
   60    HE3  LYS   6           3HE      LYS   6   2.959   5.436  -9.013
   61    HZ1  LYS   6           3HZ      LYS   6   2.687   5.247 -11.381
   62    HZ2  LYS   6           1HZ      LYS   6   1.130   5.903 -11.305
   63    HZ3  LYS   6           2HZ      LYS   6   1.444   4.391 -10.616
   64    H    ALA   7           H        ALA   7  -0.998   3.966  -6.241
   65    HA   ALA   7           HA       ALA   7  -2.491   4.539  -8.697
   66    HB1  ALA   7           1HB      ALA   7  -1.349   1.915  -7.747
   67    HB2  ALA   7           2HB      ALA   7  -2.040   2.254  -9.334
   68    HB3  ALA   7           3HB      ALA   7  -0.539   3.037  -8.841
   69    H    GLN   8           H        GLN   8  -2.995   3.643  -5.481
   70    HA   GLN   8           HA       GLN   8  -5.582   2.396  -6.119
   71    HB2  GLN   8           2HB      GLN   8  -4.012   1.072  -4.711
   72    HB3  GLN   8           3HB      GLN   8  -4.074   2.345  -3.500
   73    HG2  GLN   8           2HG      GLN   8  -6.180   1.801  -2.827
   74    HG3  GLN   8           3HG      GLN   8  -6.638   1.158  -4.403
   75   HE21  GLN   8          1HE2      GLN   8  -7.510  -0.465  -2.760
   76   HE22  GLN   8          2HE2      GLN   8  -6.482  -1.808  -2.408
   77    H    GLU   9           H        GLU   9  -4.044   5.110  -4.627
   78    HA   GLU   9           HA       GLU   9  -6.057   6.020  -2.929
   79    HB2  GLU   9           2HB      GLU   9  -4.006   7.132  -2.749
   80    HB3  GLU   9           3HB      GLU   9  -3.897   7.409  -4.482
   81    HG2  GLU   9           2HG      GLU   9  -5.659   9.062  -4.360
   82    HG3  GLU   9           3HG      GLU   9  -5.862   8.748  -2.638
   83    H    LYS  10           H        LYS  10  -5.795   6.127  -6.396
   84    HA   LYS  10           HA       LYS  10  -7.992   8.002  -6.680
   85    HB2  LYS  10           2HB      LYS  10  -7.652   7.603  -9.126
   86    HB3  LYS  10           3HB      LYS  10  -6.225   8.201  -8.290
   87    HG2  LYS  10           2HG      LYS  10  -5.036   6.388  -8.800
   88    HG3  LYS  10           3HG      LYS  10  -6.354   5.296  -8.369
   89    HD2  LYS  10           2HD      LYS  10  -6.244   4.883 -10.612
   90    HD3  LYS  10           3HD      LYS  10  -7.379   6.235 -10.625
   91    HE2  LYS  10           2HE      LYS  10  -5.635   7.775 -11.188
   92    HE3  LYS  10           3HE      LYS  10  -4.399   6.539 -10.958
   93    HZ1  LYS  10           3HZ      LYS  10  -4.954   5.493 -12.912
   94    HZ2  LYS  10           1HZ      LYS  10  -5.209   7.113 -13.329
   95    HZ3  LYS  10           2HZ      LYS  10  -6.525   6.120 -12.948
   96    H    PHE  11           H        PHE  11  -8.114   5.108  -5.566
   97    HA   PHE  11           HA       PHE  11 -10.403   4.263  -7.218
   98    HB2  PHE  11           2HB      PHE  11  -8.276   2.634  -5.853
   99    HB3  PHE  11           3HB      PHE  11  -9.847   1.935  -6.229
  100    HD1  PHE  11           HD1      PHE  11  -6.738   3.276  -7.622
  101    HD2  PHE  11           HD2      PHE  11 -10.488   1.462  -8.496
  102    HE1  PHE  11           HE1      PHE  11  -5.970   2.798  -9.910
  103    HE2  PHE  11           HE2      PHE  11  -9.725   0.980 -10.785
  104    HZ   PHE  11           HZ       PHE  11  -7.464   1.648 -11.495
  105    H    GLY  12           H        GLY  12 -10.362   6.072  -4.910
  106    HA2  GLY  12           2HA      GLY  12 -11.698   4.465  -2.847
  107    HA3  GLY  12           3HA      GLY  12 -11.117   6.112  -2.652
  108    H    LYS  13           H        LYS  13 -12.353   6.812  -5.310
  109    HA   LYS  13           HA       LYS  13 -15.108   7.103  -4.314
  110    HB2  LYS  13           2HB      LYS  13 -14.009   8.835  -6.485
  111    HB3  LYS  13           3HB      LYS  13 -15.226   9.204  -5.270
  112    HG2  LYS  13           2HG      LYS  13 -13.605  10.371  -4.281
  113    HG3  LYS  13           3HG      LYS  13 -13.007   8.802  -3.736
  114    HD2  LYS  13           2HD      LYS  13 -11.129   9.126  -4.878
  115    HD3  LYS  13           3HD      LYS  13 -12.057   9.226  -6.376
  116    HE2  LYS  13           2HE      LYS  13 -12.507  11.664  -5.676
  117    HE3  LYS  13           3HE      LYS  13 -11.164  11.437  -4.557
  118    HZ1  LYS  13           3HZ      LYS  13 -11.118  11.850  -7.385
  119    HZ2  LYS  13           1HZ      LYS  13 -10.224  10.487  -6.934
  120    HZ3  LYS  13           2HZ      LYS  13  -9.867  11.995  -6.256
  121    H    ASN  14           H        ASN  14 -13.160   5.815  -6.821
  122    HA   ASN  14           HA       ASN  14 -15.411   5.533  -8.658
  123    HB2  ASN  14           2HB      ASN  14 -12.912   6.105  -9.266
  124    HB3  ASN  14           3HB      ASN  14 -12.712   4.357  -9.192
  125   HD21  ASN  14          1HD2      ASN  14 -12.212   5.504 -11.527
  126   HD22  ASN  14          2HD2      ASN  14 -13.473   5.198 -12.667
  127    H    LYS  15           H        LYS  15 -16.173   4.176  -6.593
  128    HA   LYS  15           HA       LYS  15 -15.401   1.369  -7.040
  129    HB2  LYS  15           2HB      LYS  15 -16.442   2.823  -4.624
  130    HB3  LYS  15           3HB      LYS  15 -16.603   1.077  -4.761
  131    HG2  LYS  15           2HG      LYS  15 -14.471   0.739  -4.226
  132    HG3  LYS  15           3HG      LYS  15 -13.908   1.987  -5.341
  133    HD2  LYS  15           2HD      LYS  15 -13.262   2.803  -3.260
  134    HD3  LYS  15           3HD      LYS  15 -14.781   3.647  -3.567
  135    HE2  LYS  15           2HE      LYS  15 -15.745   1.498  -2.313
  136    HE3  LYS  15           3HE      LYS  15 -14.137   1.534  -1.590
  137    HZ1  LYS  15           3HZ      LYS  15 -15.842   2.797  -0.338
  138    HZ2  LYS  15           1HZ      LYS  15 -15.978   3.861  -1.647
  139    HZ3  LYS  15           2HZ      LYS  15 -14.516   3.737  -0.805
  140    H    SER  16           H        SER  16 -18.056   3.632  -6.943
  141    HA   SER  16           HA       SER  16 -19.926   1.468  -7.637
  142    HB2  SER  16           2HB      SER  16 -20.180   3.456  -5.732
  143    HB3  SER  16           3HB      SER  16 -21.118   4.083  -7.088
  144    HG   SER  16           HG       SER  16 -21.666   2.013  -5.399
  145    H    ARG  17           H        ARG  17 -18.605   4.541  -8.660
  146    HA   ARG  17           HA       ARG  17 -20.370   4.837 -10.905
  147    HB2  ARG  17           2HB      ARG  17 -17.713   6.208 -10.507
  148    HB3  ARG  17           3HB      ARG  17 -19.078   6.761 -11.468
  149    HG2  ARG  17           2HG      ARG  17 -19.051   6.506  -8.468
  150    HG3  ARG  17           3HG      ARG  17 -18.845   8.007  -9.374
  151    HD2  ARG  17           2HD      ARG  17 -21.045   8.247  -9.577
  152    HD3  ARG  17           3HD      ARG  17 -21.199   6.632 -10.268
  153    HE   ARG  17           HE       ARG  17 -21.885   5.853  -8.223
  154   HH11  ARG  17          1HH1      ARG  17 -20.505   9.027  -7.849
  155   HH12  ARG  17          2HH1      ARG  17 -21.005   9.193  -6.198
  156   HH21  ARG  17          1HH2      ARG  17 -22.550   6.059  -6.051
  157   HH22  ARG  17          2HH2      ARG  17 -22.167   7.504  -5.176
  Start of MODEL    7
    1    H1   TRP   1           H        TRP   1   3.175  -0.217   0.806
    2    HA   TRP   1           HA       TRP   1   4.620   0.315  -0.867
    3    HB2  TRP   1           2HB      TRP   1   3.307  -1.666  -1.929
    4    HB3  TRP   1           3HB      TRP   1   2.542  -0.418  -2.909
    5    HD1  TRP   1           HD1      TRP   1   6.285  -0.660  -1.935
    6    HE1  TRP   1           HE1      TRP   1   7.667  -0.720  -4.105
    7    HE3  TRP   1           HE3      TRP   1   2.462  -0.761  -5.327
    8    HZ2  TRP   1           HZ2      TRP   1   7.198  -0.800  -6.888
    9    HZ3  TRP   1           HZ3      TRP   1   3.014  -0.828  -7.724
   10    HH2  TRP   1           HH2      TRP   1   5.333  -0.847  -8.486
   11    H    LYS   2           H        LYS   2   4.964   2.440  -0.945
   12    HA   LYS   2           HA       LYS   2   3.112   4.459  -1.254
   13    HB2  LYS   2           2HB      LYS   2   5.044   5.884  -1.958
   14    HB3  LYS   2           3HB      LYS   2   5.326   4.965  -0.485
   15    HG2  LYS   2           2HG      LYS   2   6.181   3.496  -2.820
   16    HG3  LYS   2           3HG      LYS   2   6.958   5.078  -2.725
   17    HD2  LYS   2           2HD      LYS   2   7.770   4.612  -0.515
   18    HD3  LYS   2           3HD      LYS   2   6.844   3.111  -0.441
   19    HE2  LYS   2           2HE      LYS   2   9.165   2.618  -0.903
   20    HE3  LYS   2           3HE      LYS   2   8.182   2.226  -2.313
   21    HZ1  LYS   2           3HZ      LYS   2   9.847   4.658  -1.952
   22    HZ2  LYS   2           1HZ      LYS   2   8.840   4.367  -3.280
   23    HZ3  LYS   2           2HZ      LYS   2  10.171   3.364  -2.992
   24    H    LEU   3           H        LEU   3   4.491   2.400  -3.662
   25    HA   LEU   3           HA       LEU   3   3.893   4.073  -5.908
   26    HB2  LEU   3           2HB      LEU   3   5.213   1.590  -5.428
   27    HB3  LEU   3           3HB      LEU   3   4.015   1.360  -6.701
   28    HG   LEU   3           HG       LEU   3   6.059   1.857  -7.776
   29   HD11  LEU   3          1HD1      LEU   3   3.854   3.684  -7.887
   30   HD12  LEU   3          2HD1      LEU   3   4.912   3.127  -9.184
   31   HD13  LEU   3          3HD1      LEU   3   5.361   4.536  -8.224
   32   HD21  LEU   3          3HD2      LEU   3   7.443   3.772  -7.247
   33   HD22  LEU   3          1HD2      LEU   3   7.218   2.778  -5.808
   34   HD23  LEU   3          2HD2      LEU   3   6.309   4.278  -5.994
   35    H    LEU   4           H        LEU   4   2.295   1.385  -4.274
   36    HA   LEU   4           HA       LEU   4   0.104   1.363  -6.165
   37    HB2  LEU   4           2HB      LEU   4   1.088  -0.335  -4.032
   38    HB3  LEU   4           3HB      LEU   4  -0.659  -0.117  -3.943
   39    HG   LEU   4           HG       LEU   4  -1.034  -1.439  -5.715
   40   HD11  LEU   4          1HD1      LEU   4   1.357  -0.101  -6.933
   41   HD12  LEU   4          2HD1      LEU   4  -0.335  -0.013  -7.424
   42   HD13  LEU   4          3HD1      LEU   4   0.587  -1.492  -7.697
   43   HD21  LEU   4          3HD2      LEU   4   1.155  -2.341  -4.279
   44   HD22  LEU   4          1HD2      LEU   4   1.640  -2.529  -5.965
   45   HD23  LEU   4          2HD2      LEU   4   0.159  -3.290  -5.383
   46    H    SER   5           H        SER   5   0.835   2.713  -3.041
   47    HA   SER   5           HA       SER   5  -1.878   3.346  -2.362
   48    HB2  SER   5           2HB      SER   5   0.803   4.119  -1.231
   49    HB3  SER   5           3HB      SER   5  -0.683   4.870  -0.649
   50    HG   SER   5           HG       SER   5  -0.246   3.090   0.625
   51    H    LYS   6           H        LYS   6   0.513   4.748  -4.357
   52    HA   LYS   6           HA       LYS   6  -0.805   7.367  -4.323
   53    HB2  LYS   6           2HB      LYS   6   1.122   8.245  -5.391
   54    HB3  LYS   6           3HB      LYS   6   1.712   7.162  -4.137
   55    HG2  LYS   6           2HG      LYS   6   3.050   6.502  -5.843
   56    HG3  LYS   6           3HG      LYS   6   1.681   5.427  -6.137
   57    HD2  LYS   6           2HD      LYS   6   1.577   6.267  -8.197
   58    HD3  LYS   6           3HD      LYS   6   1.044   7.788  -7.476
   59    HE2  LYS   6           2HE      LYS   6   2.869   8.696  -8.384
   60    HE3  LYS   6           3HE      LYS   6   3.781   7.843  -7.140
   61    HZ1  LYS   6           3HZ      LYS   6   3.171   6.176  -9.382
   62    HZ2  LYS   6           1HZ      LYS   6   4.663   6.489  -8.646
   63    HZ3  LYS   6           2HZ      LYS   6   4.067   7.538  -9.832
   64    H    ALA   7           H        ALA   7  -0.499   4.499  -6.190
   65    HA   ALA   7           HA       ALA   7  -1.585   5.804  -8.581
   66    HB1  ALA   7           1HB      ALA   7  -1.029   3.781  -9.770
   67    HB2  ALA   7           2HB      ALA   7   0.372   4.316  -8.842
   68    HB3  ALA   7           3HB      ALA   7  -0.608   2.969  -8.262
   69    H    GLN   8           H        GLN   8  -2.583   4.068  -5.864
   70    HA   GLN   8           HA       GLN   8  -5.024   3.132  -7.210
   71    HB2  GLN   8           2HB      GLN   8  -3.694   1.440  -5.960
   72    HB3  GLN   8           3HB      GLN   8  -3.970   2.359  -4.486
   73    HG2  GLN   8           2HG      GLN   8  -6.182   1.769  -4.365
   74    HG3  GLN   8           3HG      GLN   8  -6.310   1.478  -6.099
   75   HE21  GLN   8          1HE2      GLN   8  -7.438  -0.422  -4.905
   76   HE22  GLN   8          2HE2      GLN   8  -6.461  -1.831  -4.698
   77    H    GLU   9           H        GLU   9  -3.782   5.324  -4.844
   78    HA   GLU   9           HA       GLU   9  -6.033   5.831  -3.295
   79    HB2  GLU   9           2HB      GLU   9  -5.037   8.137  -3.013
   80    HB3  GLU   9           3HB      GLU   9  -3.969   6.795  -2.627
   81    HG2  GLU   9           2HG      GLU   9  -2.780   7.051  -4.672
   82    HG3  GLU   9           3HG      GLU   9  -3.956   8.217  -5.275
   83    H    LYS  10           H        LYS  10  -5.374   6.640  -6.583
   84    HA   LYS  10           HA       LYS  10  -7.441   8.669  -6.727
   85    HB2  LYS  10           2HB      LYS  10  -6.806   8.922  -9.029
   86    HB3  LYS  10           3HB      LYS  10  -5.338   8.812  -8.067
   87    HG2  LYS  10           2HG      LYS  10  -5.179   6.413  -8.685
   88    HG3  LYS  10           3HG      LYS  10  -6.563   6.643  -9.757
   89    HD2  LYS  10           2HD      LYS  10  -3.931   8.110  -9.937
   90    HD3  LYS  10           3HD      LYS  10  -4.440   6.776 -10.976
   91    HE2  LYS  10           2HE      LYS  10  -5.265   8.339 -12.338
   92    HE3  LYS  10           3HE      LYS  10  -6.542   8.551 -11.141
   93    HZ1  LYS  10           3HZ      LYS  10  -4.283  10.263 -11.761
   94    HZ2  LYS  10           1HZ      LYS  10  -4.637  10.098 -10.115
   95    HZ3  LYS  10           2HZ      LYS  10  -5.821  10.665 -11.182
   96    H    PHE  11           H        PHE  11  -7.869   5.676  -6.136
   97    HA   PHE  11           HA       PHE  11  -9.973   5.263  -8.158
   98    HB2  PHE  11           2HB      PHE  11  -8.222   3.239  -6.761
   99    HB3  PHE  11           3HB      PHE  11  -9.696   2.795  -7.614
  100    HD1  PHE  11           HD2      PHE  11  -6.583   4.770  -8.195
  101    HD2  PHE  11           HD1      PHE  11  -9.495   2.106  -9.789
  102    HE1  PHE  11           HE2      PHE  11  -5.323   4.661 -10.305
  103    HE2  PHE  11           HE1      PHE  11  -8.238   1.991 -11.902
  104    HZ   PHE  11           HZ       PHE  11  -6.150   3.271 -12.162
  105    H    GLY  12           H        GLY  12 -10.276   6.752  -5.737
  106    HA2  GLY  12           2HA      GLY  12 -11.847   4.947  -4.030
  107    HA3  GLY  12           3HA      GLY  12 -11.290   6.552  -3.582
  108    H    LYS  13           H        LYS  13 -12.207   7.417  -6.386
  109    HA   LYS  13           HA       LYS  13 -14.792   8.323  -5.553
  110    HB2  LYS  13           2HB      LYS  13 -13.595   9.871  -6.850
  111    HB3  LYS  13           3HB      LYS  13 -13.143   8.661  -8.043
  112    HG2  LYS  13           2HG      LYS  13 -16.032   9.170  -7.745
  113    HG3  LYS  13           3HG      LYS  13 -15.070  10.483  -8.428
  114    HD2  LYS  13           2HD      LYS  13 -14.111   8.299  -9.772
  115    HD3  LYS  13           3HD      LYS  13 -15.820   7.900  -9.582
  116    HE2  LYS  13           2HE      LYS  13 -15.983  10.495 -10.338
  117    HE3  LYS  13           3HE      LYS  13 -14.526   9.995 -11.196
  118    HZ1  LYS  13           3HZ      LYS  13 -16.014   9.328 -12.724
  119    HZ2  LYS  13           1HZ      LYS  13 -17.286   9.204 -11.615
  120    HZ3  LYS  13           2HZ      LYS  13 -16.149   7.959 -11.740
  121    H    ASN  14           H        ASN  14 -13.589   5.708  -7.481
  122    HA   ASN  14           HA       ASN  14 -16.040   5.174  -8.861
  123    HB2  ASN  14           2HB      ASN  14 -13.408   4.330  -9.115
  124    HB3  ASN  14           3HB      ASN  14 -14.255   2.886  -8.565
  125   HD21  ASN  14          1HD2      ASN  14 -16.343   2.450  -9.751
  126   HD22  ASN  14          2HD2      ASN  14 -16.316   2.668 -11.465
  127    H    LYS  15           H        LYS  15 -14.845   4.523  -5.728
  128    HA   LYS  15           HA       LYS  15 -16.957   2.515  -5.292
  129    HB2  LYS  15           2HB      LYS  15 -14.404   2.956  -3.732
  130    HB3  LYS  15           3HB      LYS  15 -15.633   1.757  -3.351
  131    HG2  LYS  15           2HG      LYS  15 -14.944   0.344  -4.956
  132    HG3  LYS  15           3HG      LYS  15 -14.575   1.645  -6.091
  133    HD2  LYS  15           2HD      LYS  15 -12.432   1.858  -5.360
  134    HD3  LYS  15           3HD      LYS  15 -12.842   1.419  -3.699
  135    HE2  LYS  15           2HE      LYS  15 -11.667  -0.440  -4.330
  136    HE3  LYS  15           3HE      LYS  15 -13.296  -0.934  -4.789
  137    HZ1  LYS  15           3HZ      LYS  15 -11.224   0.188  -6.597
  138    HZ2  LYS  15           1HZ      LYS  15 -12.809  -0.182  -7.058
  139    HZ3  LYS  15           2HZ      LYS  15 -11.764  -1.415  -6.560
  140    H    SER  16           H        SER  16 -17.805   5.076  -5.321
  141    HA   SER  16           HA       SER  16 -17.746   6.211  -2.667
  142    HB2  SER  16           2HB      SER  16 -17.813   7.735  -4.547
  143    HB3  SER  16           3HB      SER  16 -19.285   6.981  -5.157
  144    HG   SER  16           HG       SER  16 -18.928   8.710  -2.990
  145    H    ARG  17           H        ARG  17 -20.183   4.694  -4.762
  146    HA   ARG  17           HA       ARG  17 -21.937   4.412  -2.418
  147    HB2  ARG  17           2HB      ARG  17 -23.750   4.025  -4.051
  148    HB3  ARG  17           3HB      ARG  17 -22.976   5.589  -4.267
  149    HG2  ARG  17           2HG      ARG  17 -21.547   3.922  -5.940
  150    HG3  ARG  17           3HG      ARG  17 -23.213   3.362  -6.104
  151    HD2  ARG  17           2HD      ARG  17 -23.512   6.076  -6.172
  152    HD3  ARG  17           3HD      ARG  17 -21.964   5.859  -6.987
  153    HE   ARG  17           HE       ARG  17 -23.837   4.032  -8.026
  154   HH11  ARG  17          1HH1      ARG  17 -23.105   7.436  -8.009
  155   HH12  ARG  17          2HH1      ARG  17 -23.822   7.730  -9.559
  156   HH21  ARG  17          1HH2      ARG  17 -24.784   4.407 -10.067
  157   HH22  ARG  17          2HH2      ARG  17 -24.777   6.007 -10.728
  Start of MODEL    8
    1    H1   TRP   1           H        TRP   1   2.289  -0.747   0.356
    2    HA   TRP   1           HA       TRP   1   3.875   0.167  -1.028
    3    HB2  TRP   1           2HB      TRP   1   2.620  -1.709  -2.323
    4    HB3  TRP   1           3HB      TRP   1   1.948  -0.382  -3.266
    5    HD1  TRP   1           HD1      TRP   1   5.604  -0.763  -2.036
    6    HE1  TRP   1           HE1      TRP   1   7.144  -0.699  -4.097
    7    HE3  TRP   1           HE3      TRP   1   2.047  -0.554  -5.702
    8    HZ2  TRP   1           HZ2      TRP   1   6.886  -0.575  -6.905
    9    HZ3  TRP   1           HZ3      TRP   1   2.777  -0.465  -8.050
   10    HH2  TRP   1           HH2      TRP   1   5.147  -0.475  -8.637
   11    H    LYS   2           H        LYS   2   4.252   2.286  -0.920
   12    HA   LYS   2           HA       LYS   2   2.463   4.358  -1.228
   13    HB2  LYS   2           2HB      LYS   2   4.479   5.781  -1.710
   14    HB3  LYS   2           3HB      LYS   2   4.602   4.791  -0.261
   15    HG2  LYS   2           2HG      LYS   2   5.640   3.485  -2.654
   16    HG3  LYS   2           3HG      LYS   2   6.487   4.975  -2.230
   17    HD2  LYS   2           2HD      LYS   2   6.440   3.939   0.183
   18    HD3  LYS   2           3HD      LYS   2   6.237   2.424  -0.700
   19    HE2  LYS   2           2HE      LYS   2   8.270   3.582  -2.083
   20    HE3  LYS   2           3HE      LYS   2   8.584   4.174  -0.452
   21    HZ1  LYS   2           3HZ      LYS   2   9.519   1.881  -1.280
   22    HZ2  LYS   2           1HZ      LYS   2   7.998   1.327  -0.787
   23    HZ3  LYS   2           2HZ      LYS   2   9.018   2.095   0.322
   24    H    LEU   3           H        LEU   3   4.004   2.452  -3.667
   25    HA   LEU   3           HA       LEU   3   3.605   4.285  -5.827
   26    HB2  LEU   3           2HB      LEU   3   4.846   1.754  -5.425
   27    HB3  LEU   3           3HB      LEU   3   3.730   1.617  -6.782
   28    HG   LEU   3           HG       LEU   3   5.843   2.142  -7.697
   29   HD11  LEU   3          1HD1      LEU   3   3.683   4.031  -7.820
   30   HD12  LEU   3          2HD1      LEU   3   4.784   3.503  -9.091
   31   HD13  LEU   3          3HD1      LEU   3   5.230   4.849  -8.042
   32   HD21  LEU   3          3HD2      LEU   3   6.048   4.524  -5.868
   33   HD22  LEU   3          1HD2      LEU   3   7.281   3.877  -6.950
   34   HD23  LEU   3          2HD2      LEU   3   6.795   2.965  -5.520
   35    H    LEU   4           H        LEU   4   1.840   1.514  -4.530
   36    HA   LEU   4           HA       LEU   4  -0.201   1.685  -6.571
   37    HB2  LEU   4           2HB      LEU   4   0.579  -0.179  -4.493
   38    HB3  LEU   4           3HB      LEU   4  -1.165   0.074  -4.527
   39    HG   LEU   4           HG       LEU   4  -1.421  -1.111  -6.414
   40   HD11  LEU   4          1HD1      LEU   4   0.362  -1.069  -8.255
   41   HD12  LEU   4          2HD1      LEU   4   1.085   0.251  -7.337
   42   HD13  LEU   4          3HD1      LEU   4  -0.558   0.406  -7.959
   43   HD21  LEU   4          3HD2      LEU   4   0.621  -2.168  -4.873
   44   HD22  LEU   4          1HD2      LEU   4   1.244  -2.248  -6.521
   45   HD23  LEU   4          2HD2      LEU   4  -0.295  -3.011  -6.123
   46    H    SER   5           H        SER   5   0.304   2.782  -3.304
   47    HA   SER   5           HA       SER   5  -2.438   3.438  -2.793
   48    HB2  SER   5           2HB      SER   5   0.157   4.102  -1.410
   49    HB3  SER   5           3HB      SER   5  -1.378   4.789  -0.878
   50    HG   SER   5           HG       SER   5  -1.165   2.953   0.281
   51    H    LYS   6           H        LYS   6   0.107   4.906  -4.521
   52    HA   LYS   6           HA       LYS   6  -1.181   7.542  -4.411
   53    HB2  LYS   6           2HB      LYS   6   0.847   8.479  -5.193
   54    HB3  LYS   6           3HB      LYS   6   1.308   7.289  -3.983
   55    HG2  LYS   6           2HG      LYS   6   2.807   6.762  -5.600
   56    HG3  LYS   6           3HG      LYS   6   1.473   5.727  -6.114
   57    HD2  LYS   6           2HD      LYS   6   1.151   6.892  -8.004
   58    HD3  LYS   6           3HD      LYS   6   1.336   8.445  -7.185
   59    HE2  LYS   6           2HE      LYS   6   3.662   6.652  -7.839
   60    HE3  LYS   6           3HE      LYS   6   3.068   7.887  -8.947
   61    HZ1  LYS   6           3HZ      LYS   6   3.642   9.585  -7.460
   62    HZ2  LYS   6           1HZ      LYS   6   4.967   8.532  -7.435
   63    HZ3  LYS   6           2HZ      LYS   6   3.852   8.517  -6.164
   64    H    ALA   7           H        ALA   7  -0.789   4.790  -6.391
   65    HA   ALA   7           HA       ALA   7  -1.579   6.270  -8.802
   66    HB1  ALA   7           1HB      ALA   7  -0.935   4.307 -10.057
   67    HB2  ALA   7           2HB      ALA   7   0.379   4.781  -8.979
   68    HB3  ALA   7           3HB      ALA   7  -0.651   3.411  -8.564
   69    H    GLN   8           H        GLN   8  -2.873   4.404  -6.314
   70    HA   GLN   8           HA       GLN   8  -5.194   3.643  -7.957
   71    HB2  GLN   8           2HB      GLN   8  -4.332   2.520  -5.286
   72    HB3  GLN   8           3HB      GLN   8  -5.703   1.975  -6.243
   73    HG2  GLN   8           2HG      GLN   8  -3.029   1.950  -7.522
   74    HG3  GLN   8           3HG      GLN   8  -3.368   0.739  -6.286
   75   HE21  GLN   8          1HE2      GLN   8  -5.479  -0.428  -6.584
   76   HE22  GLN   8          2HE2      GLN   8  -5.894  -0.893  -8.196
   77    H    GLU   9           H        GLU   9  -4.097   5.568  -5.326
   78    HA   GLU   9           HA       GLU   9  -6.407   5.933  -3.833
   79    HB2  GLU   9           2HB      GLU   9  -5.447   8.234  -3.350
   80    HB3  GLU   9           3HB      GLU   9  -4.402   6.866  -2.996
   81    HG2  GLU   9           2HG      GLU   9  -3.089   7.254  -4.929
   82    HG3  GLU   9           3HG      GLU   9  -4.244   8.429  -5.556
   83    H    LYS  10           H        LYS  10  -5.655   7.003  -7.021
   84    HA   LYS  10           HA       LYS  10  -7.712   9.041  -7.078
   85    HB2  LYS  10           2HB      LYS  10  -7.084   9.261  -9.465
   86    HB3  LYS  10           3HB      LYS  10  -5.708   9.422  -8.380
   87    HG2  LYS  10           2HG      LYS  10  -4.656   7.873  -9.554
   88    HG3  LYS  10           3HG      LYS  10  -5.869   6.698  -9.039
   89    HD2  LYS  10           2HD      LYS  10  -6.004   6.542 -11.339
   90    HD3  LYS  10           3HD      LYS  10  -7.277   7.711 -10.983
   91    HE2  LYS  10           2HE      LYS  10  -6.287   9.165 -12.337
   92    HE3  LYS  10           3HE      LYS  10  -4.878   9.167 -11.277
   93    HZ1  LYS  10           3HZ      LYS  10  -3.749   8.239 -12.922
   94    HZ2  LYS  10           1HZ      LYS  10  -5.138   8.091 -13.876
   95    HZ3  LYS  10           2HZ      LYS  10  -4.718   6.859 -12.796
   96    H    PHE  11           H        PHE  11  -8.166   6.013  -6.695
   97    HA   PHE  11           HA       PHE  11 -10.247   5.758  -8.766
   98    HB2  PHE  11           2HB      PHE  11  -8.546   3.615  -7.487
   99    HB3  PHE  11           3HB      PHE  11  -9.992   3.264  -8.428
  100    HD1  PHE  11           HD2      PHE  11  -9.753   5.219 -10.613
  101    HD2  PHE  11           HD1      PHE  11  -6.802   2.774  -8.759
  102    HE1  PHE  11           HE2      PHE  11  -8.419   5.267 -12.679
  103    HE2  PHE  11           HE1      PHE  11  -5.463   2.820 -10.823
  104    HZ   PHE  11           HZ       PHE  11  -6.271   4.067 -12.787
  105    H    GLY  12           H        GLY  12 -10.524   7.053  -6.207
  106    HA2  GLY  12           2HA      GLY  12 -12.057   5.157  -4.594
  107    HA3  GLY  12           3HA      GLY  12 -11.627   6.799  -4.137
  108    H    LYS  13           H        LYS  13 -13.220   5.641  -7.085
  109    HA   LYS  13           HA       LYS  13 -15.540   7.310  -6.365
  110    HB2  LYS  13           2HB      LYS  13 -14.860   6.569  -9.193
  111    HB3  LYS  13           3HB      LYS  13 -15.822   7.919  -8.606
  112    HG2  LYS  13           2HG      LYS  13 -14.035   9.201  -8.843
  113    HG3  LYS  13           3HG      LYS  13 -13.281   8.307  -7.521
  114    HD2  LYS  13           2HD      LYS  13 -11.702   7.830  -9.051
  115    HD3  LYS  13           3HD      LYS  13 -12.859   6.618  -9.605
  116    HE2  LYS  13           2HE      LYS  13 -12.430   9.390 -10.705
  117    HE3  LYS  13           3HE      LYS  13 -12.108   7.855 -11.509
  118    HZ1  LYS  13           3HZ      LYS  13 -14.727   9.073 -10.876
  119    HZ2  LYS  13           1HZ      LYS  13 -14.577   7.428 -11.244
  120    HZ3  LYS  13           2HZ      LYS  13 -14.127   8.594 -12.384
  121    H    ASN  14           H        ASN  14 -14.432   4.179  -7.193
  122    HA   ASN  14           HA       ASN  14 -17.088   3.216  -7.905
  123    HB2  ASN  14           2HB      ASN  14 -14.323   2.106  -8.030
  124    HB3  ASN  14           3HB      ASN  14 -15.662   0.968  -7.903
  125   HD21  ASN  14          1HD2      ASN  14 -16.768   0.466  -9.678
  126   HD22  ASN  14          2HD2      ASN  14 -16.588   1.237 -11.214
  127    H    LYS  15           H        LYS  15 -15.068   3.500  -5.167
  128    HA   LYS  15           HA       LYS  15 -16.466   1.395  -3.699
  129    HB2  LYS  15           2HB      LYS  15 -14.249   3.210  -2.738
  130    HB3  LYS  15           3HB      LYS  15 -14.838   1.754  -1.946
  131    HG2  LYS  15           2HG      LYS  15 -13.483   1.832  -4.634
  132    HG3  LYS  15           3HG      LYS  15 -12.702   1.412  -3.108
  133    HD2  LYS  15           2HD      LYS  15 -15.039  -0.169  -3.327
  134    HD3  LYS  15           3HD      LYS  15 -14.197  -0.257  -4.876
  135    HE2  LYS  15           2HE      LYS  15 -12.236  -1.090  -3.879
  136    HE3  LYS  15           3HE      LYS  15 -12.766  -0.634  -2.261
  137    HZ1  LYS  15           3HZ      LYS  15 -13.742  -2.593  -2.017
  138    HZ2  LYS  15           1HZ      LYS  15 -13.079  -3.086  -3.494
  139    HZ3  LYS  15           2HZ      LYS  15 -14.628  -2.407  -3.446
  140    H    SER  16           H        SER  16 -16.034   4.896  -3.719
  141    HA   SER  16           HA       SER  16 -17.339   5.558  -1.364
  142    HB2  SER  16           2HB      SER  16 -16.179   6.994  -3.342
  143    HB3  SER  16           3HB      SER  16 -17.878   7.323  -3.681
  144    HG   SER  16           HG       SER  16 -16.811   8.785  -2.162
  145    H    ARG  17           H        ARG  17 -18.656   4.687  -4.497
  146    HA   ARG  17           HA       ARG  17 -21.345   5.428  -3.906
  147    HB2  ARG  17           2HB      ARG  17 -20.294   3.480  -5.968
  148    HB3  ARG  17           3HB      ARG  17 -21.917   4.155  -5.925
  149    HG2  ARG  17           2HG      ARG  17 -19.367   5.703  -6.331
  150    HG3  ARG  17           3HG      ARG  17 -20.544   5.284  -7.576
  151    HD2  ARG  17           2HD      ARG  17 -22.036   6.519  -5.581
  152    HD3  ARG  17           3HD      ARG  17 -20.554   7.468  -5.678
  153    HE   ARG  17           HE       ARG  17 -21.488   7.027  -8.277
  154   HH11  ARG  17          1HH1      ARG  17 -22.402   8.738  -5.386
  155   HH12  ARG  17          2HH1      ARG  17 -23.257   9.982  -6.236
  156   HH21  ARG  17          1HH2      ARG  17 -22.611   8.659  -9.407
  157   HH22  ARG  17          2HH2      ARG  17 -23.376   9.935  -8.523
  Start of MODEL    9
    1    H1   TRP   1           H        TRP   1   1.990  -2.733  -1.577
    2    HA   TRP   1           HA       TRP   1   3.639  -1.243  -2.075
    3    HB2  TRP   1           2HB      TRP   1   3.174  -2.486  -4.314
    4    HB3  TRP   1           3HB      TRP   1   2.458  -0.959  -4.822
    5    HD1  TRP   1           HD1      TRP   1   5.717  -1.450  -2.783
    6    HE1  TRP   1           HE1      TRP   1   7.638  -0.327  -4.077
    7    HE3  TRP   1           HE3      TRP   1   3.154  -0.036  -6.975
    8    HZ2  TRP   1           HZ2      TRP   1   8.016   0.985  -6.548
    9    HZ3  TRP   1           HZ3      TRP   1   4.369   1.149  -8.756
   10    HH2  TRP   1           HH2      TRP   1   6.750   1.649  -8.545
   11    H    LYS   2           H        LYS   2   3.495   0.645  -1.049
   12    HA   LYS   2           HA       LYS   2   1.398   2.435  -1.053
   13    HB2  LYS   2           2HB      LYS   2   3.067   4.126  -0.276
   14    HB3  LYS   2           3HB      LYS   2   3.127   2.604   0.602
   15    HG2  LYS   2           2HG      LYS   2   4.922   2.709  -1.700
   16    HG3  LYS   2           3HG      LYS   2   5.275   3.907  -0.453
   17    HD2  LYS   2           2HD      LYS   2   4.729   1.119   0.417
   18    HD3  LYS   2           3HD      LYS   2   6.274   1.448  -0.371
   19    HE2  LYS   2           2HE      LYS   2   6.490   1.660   2.037
   20    HE3  LYS   2           3HE      LYS   2   6.715   3.226   1.260
   21    HZ1  LYS   2           3HZ      LYS   2   5.304   3.332   3.253
   22    HZ2  LYS   2           1HZ      LYS   2   4.179   2.313   2.506
   23    HZ3  LYS   2           2HZ      LYS   2   4.490   3.846   1.862
   24    H    LEU   3           H        LEU   3   3.840   1.958  -3.450
   25    HA   LEU   3           HA       LEU   3   3.542   4.500  -4.735
   26    HB2  LEU   3           2HB      LEU   3   5.199   2.191  -4.997
   27    HB3  LEU   3           3HB      LEU   3   4.504   2.575  -6.570
   28    HG   LEU   3           HG       LEU   3   6.603   3.658  -6.471
   29   HD11  LEU   3          1HD1      LEU   3   5.646   5.396  -7.459
   30   HD12  LEU   3          2HD1      LEU   3   5.474   6.153  -5.876
   31   HD13  LEU   3          3HD1      LEU   3   4.165   5.168  -6.529
   32   HD21  LEU   3          3HD2      LEU   3   7.289   5.122  -4.665
   33   HD22  LEU   3          1HD2      LEU   3   6.906   3.519  -4.035
   34   HD23  LEU   3          2HD2      LEU   3   5.761   4.845  -3.828
   35    H    LEU   4           H        LEU   4   2.206   1.267  -5.206
   36    HA   LEU   4           HA       LEU   4   0.712   2.079  -7.547
   37    HB2  LEU   4           2HB      LEU   4   1.407  -0.405  -6.225
   38    HB3  LEU   4           3HB      LEU   4  -0.293  -0.362  -6.687
   39    HG   LEU   4           HG       LEU   4   0.169  -0.626  -8.865
   40   HD11  LEU   4          1HD1      LEU   4   0.980   1.506  -9.354
   41   HD12  LEU   4          2HD1      LEU   4   2.255   0.425  -9.915
   42   HD13  LEU   4          3HD1      LEU   4   2.435   1.279  -8.383
   43   HD21  LEU   4          3HD2      LEU   4   2.001  -2.003  -7.313
   44   HD22  LEU   4          1HD2      LEU   4   2.979  -1.284  -8.593
   45   HD23  LEU   4          2HD2      LEU   4   1.611  -2.317  -9.005
   46    H    SER   5           H        SER   5   0.190   1.705  -4.126
   47    HA   SER   5           HA       SER   5  -2.674   1.753  -4.269
   48    HB2  SER   5           2HB      SER   5  -0.680   1.995  -2.025
   49    HB3  SER   5           3HB      SER   5  -2.401   2.262  -1.749
   50    HG   SER   5           HG       SER   5  -1.108  -0.046  -1.888
   51    H    LYS   6           H        LYS   6  -0.199   4.102  -4.389
   52    HA   LYS   6           HA       LYS   6  -2.034   6.265  -3.646
   53    HB2  LYS   6           2HB      LYS   6  -0.137   7.668  -3.412
   54    HB3  LYS   6           3HB      LYS   6   0.304   6.132  -2.677
   55    HG2  LYS   6           2HG      LYS   6   2.186   6.510  -3.882
   56    HG3  LYS   6           3HG      LYS   6   1.242   5.660  -5.108
   57    HD2  LYS   6           2HD      LYS   6   1.150   7.465  -6.423
   58    HD3  LYS   6           3HD      LYS   6   0.705   8.517  -5.077
   59    HE2  LYS   6           2HE      LYS   6   3.512   7.557  -5.217
   60    HE3  LYS   6           3HE      LYS   6   3.004   8.775  -6.386
   61    HZ1  LYS   6           3HZ      LYS   6   3.425  10.244  -4.790
   62    HZ2  LYS   6           1HZ      LYS   6   3.545   9.055  -3.593
   63    HZ3  LYS   6           2HZ      LYS   6   2.032   9.687  -4.008
   64    H    ALA   7           H        ALA   7  -0.556   4.761  -6.358
   65    HA   ALA   7           HA       ALA   7  -1.178   7.034  -8.102
   66    HB1  ALA   7           1HB      ALA   7   0.139   5.924  -9.789
   67    HB2  ALA   7           2HB      ALA   7   1.056   5.991  -8.283
   68    HB3  ALA   7           3HB      ALA   7   0.284   4.485  -8.779
   69    H    GLN   8           H        GLN   8  -2.490   4.107  -7.047
   70    HA   GLN   8           HA       GLN   8  -4.163   3.852  -9.451
   71    HB2  GLN   8           2HB      GLN   8  -2.901   1.834  -8.721
   72    HB3  GLN   8           3HB      GLN   8  -3.788   1.866  -7.203
   73    HG2  GLN   8           2HG      GLN   8  -5.712   1.107  -8.144
   74    HG3  GLN   8           3HG      GLN   8  -5.362   1.833  -9.712
   75   HE21  GLN   8          1HE2      GLN   8  -4.356  -0.759  -7.535
   76   HE22  GLN   8          2HE2      GLN   8  -3.890  -1.865  -8.778
   77    H    GLU   9           H        GLU   9  -4.188   4.601  -6.075
   78    HA   GLU   9           HA       GLU   9  -6.845   4.138  -5.407
   79    HB2  GLU   9           2HB      GLU   9  -6.523   6.022  -3.757
   80    HB3  GLU   9           3HB      GLU   9  -5.331   4.733  -3.675
   81    HG2  GLU   9           2HG      GLU   9  -3.700   6.063  -4.784
   82    HG3  GLU   9           3HG      GLU   9  -4.890   7.306  -5.164
   83    H    LYS  10           H        LYS  10  -5.472   6.509  -7.490
   84    HA   LYS  10           HA       LYS  10  -7.777   8.261  -7.413
   85    HB2  LYS  10           2HB      LYS  10  -6.575   9.502  -9.198
   86    HB3  LYS  10           3HB      LYS  10  -5.613   9.281  -7.743
   87    HG2  LYS  10           2HG      LYS  10  -4.014   8.268  -8.889
   88    HG3  LYS  10           3HG      LYS  10  -5.162   7.104  -9.554
   89    HD2  LYS  10           2HD      LYS  10  -5.395   8.244 -11.498
   90    HD3  LYS  10           3HD      LYS  10  -5.237   9.819 -10.716
   91    HE2  LYS  10           2HE      LYS  10  -2.962   7.905 -11.223
   92    HE3  LYS  10           3HE      LYS  10  -3.360   9.287 -12.242
   93    HZ1  LYS  10           3HZ      LYS  10  -2.121   9.220  -9.603
   94    HZ2  LYS  10           1HZ      LYS  10  -3.178  10.504  -9.915
   95    HZ3  LYS  10           2HZ      LYS  10  -1.831  10.256 -10.908
   96    H    PHE  11           H        PHE  11  -7.735   5.336  -8.413
   97    HA   PHE  11           HA       PHE  11  -9.098   5.877 -10.970
   98    HB2  PHE  11           2HB      PHE  11  -7.446   3.487 -10.145
   99    HB3  PHE  11           3HB      PHE  11  -8.488   3.495 -11.564
  100    HD1  PHE  11           HD2      PHE  11  -8.020   6.213 -12.599
  101    HD2  PHE  11           HD1      PHE  11  -5.299   3.353 -11.009
  102    HE1  PHE  11           HE2      PHE  11  -6.204   7.209 -13.926
  103    HE2  PHE  11           HE1      PHE  11  -3.477   4.345 -12.333
  104    HZ   PHE  11           HZ       PHE  11  -3.929   6.275 -13.795
  105    H    GLY  12           H        GLY  12  -9.450   4.844  -7.803
  106    HA2  GLY  12           2HA      GLY  12 -11.627   2.985  -8.324
  107    HA3  GLY  12           3HA      GLY  12 -11.000   3.443  -6.748
  108    H    LYS  13           H        LYS  13 -12.497   5.155  -9.497
  109    HA   LYS  13           HA       LYS  13 -13.838   7.002  -7.783
  110    HB2  LYS  13           2HB      LYS  13 -13.316   7.832  -9.919
  111    HB3  LYS  13           3HB      LYS  13 -13.955   6.407 -10.728
  112    HG2  LYS  13           2HG      LYS  13 -15.897   7.958  -9.149
  113    HG3  LYS  13           3HG      LYS  13 -15.247   8.758 -10.582
  114    HD2  LYS  13           2HD      LYS  13 -16.319   7.367 -11.998
  115    HD3  LYS  13           3HD      LYS  13 -16.056   5.956 -10.970
  116    HE2  LYS  13           2HE      LYS  13 -18.175   6.084 -10.318
  117    HE3  LYS  13           3HE      LYS  13 -17.824   7.644  -9.577
  118    HZ1  LYS  13           3HZ      LYS  13 -19.190   7.043 -12.063
  119    HZ2  LYS  13           1HZ      LYS  13 -18.120   8.352 -12.127
  120    HZ3  LYS  13           2HZ      LYS  13 -19.387   8.349 -11.006
  121    H    ASN  14           H        ASN  14 -14.620   3.911  -9.141
  122    HA   ASN  14           HA       ASN  14 -17.441   4.074  -8.938
  123    HB2  ASN  14           2HB      ASN  14 -16.292   2.380 -10.313
  124    HB3  ASN  14           3HB      ASN  14 -15.660   1.628  -8.851
  125   HD21  ASN  14          1HD2      ASN  14 -18.724   2.619 -10.327
  126   HD22  ASN  14          2HD2      ASN  14 -19.633   1.263  -9.761
  127    H    LYS  15           H        LYS  15 -14.967   3.719  -6.610
  128    HA   LYS  15           HA       LYS  15 -16.953   2.925  -4.581
  129    HB2  LYS  15           2HB      LYS  15 -14.036   2.276  -4.861
  130    HB3  LYS  15           3HB      LYS  15 -14.795   2.269  -3.274
  131    HG2  LYS  15           2HG      LYS  15 -15.227   0.125  -3.731
  132    HG3  LYS  15           3HG      LYS  15 -16.551   0.771  -4.704
  133    HD2  LYS  15           2HD      LYS  15 -15.360  -0.788  -6.061
  134    HD3  LYS  15           3HD      LYS  15 -14.969   0.830  -6.650
  135    HE2  LYS  15           2HE      LYS  15 -12.818   0.759  -5.796
  136    HE3  LYS  15           3HE      LYS  15 -13.220  -0.484  -4.613
  137    HZ1  LYS  15           3HZ      LYS  15 -11.852  -1.114  -6.686
  138    HZ2  LYS  15           1HZ      LYS  15 -13.340  -1.094  -7.491
  139    HZ3  LYS  15           2HZ      LYS  15 -13.099  -2.144  -6.188
  140    H    SER  16           H        SER  16 -17.026   5.506  -5.136
  141    HA   SER  16           HA       SER  16 -15.203   7.243  -3.983
  142    HB2  SER  16           2HB      SER  16 -17.203   7.855  -5.405
  143    HB3  SER  16           3HB      SER  16 -18.198   7.660  -3.962
  144    HG   SER  16           HG       SER  16 -17.037   9.826  -4.659
  145    H    ARG  17           H        ARG  17 -18.206   6.026  -2.486
  146    HA   ARG  17           HA       ARG  17 -17.168   6.798   0.137
  147    HB2  ARG  17           2HB      ARG  17 -19.911   5.748  -0.572
  148    HB3  ARG  17           3HB      ARG  17 -19.423   6.475   0.952
  149    HG2  ARG  17           2HG      ARG  17 -19.903   8.498   0.198
  150    HG3  ARG  17           3HG      ARG  17 -18.854   8.273  -1.203
  151    HD2  ARG  17           2HD      ARG  17 -20.787   8.476  -2.346
  152    HD3  ARG  17           3HD      ARG  17 -20.961   6.768  -1.942
  153    HE   ARG  17           HE       ARG  17 -22.052   8.501   0.059
  154   HH11  ARG  17          1HH1      ARG  17 -22.676   6.961  -3.000
  155   HH12  ARG  17          2HH1      ARG  17 -24.397   6.974  -2.804
  156   HH21  ARG  17          1HH2      ARG  17 -24.317   8.525   0.329
  157   HH22  ARG  17          2HH2      ARG  17 -25.329   7.865  -0.911
  Start of MODEL   10
    1    H1   TRP   1           H        TRP   1   0.455  -1.595  -0.484
    2    HA   TRP   1           HA       TRP   1   2.329  -0.723  -1.446
    3    HB2  TRP   1           2HB      TRP   1   1.572  -2.313  -3.361
    4    HB3  TRP   1           3HB      TRP   1   1.041  -0.834  -4.158
    5    HD1  TRP   1           HD1      TRP   1   4.318  -1.378  -2.160
    6    HE1  TRP   1           HE1      TRP   1   6.294  -0.830  -3.715
    7    HE3  TRP   1           HE3      TRP   1   1.728  -0.465  -6.472
    8    HZ2  TRP   1           HZ2      TRP   1   6.702  -0.105  -6.412
    9    HZ3  TRP   1           HZ3      TRP   1   2.987   0.151  -8.495
   10    HH2  TRP   1           HH2      TRP   1   5.421   0.327  -8.464
   11    H    LYS   2           H        LYS   2   2.486   1.332  -0.810
   12    HA   LYS   2           HA       LYS   2   0.674   3.375  -1.137
   13    HB2  LYS   2           2HB      LYS   2   2.669   4.915  -0.854
   14    HB3  LYS   2           3HB      LYS   2   2.453   3.695   0.395
   15    HG2  LYS   2           2HG      LYS   2   4.146   2.778  -1.782
   16    HG3  LYS   2           3HG      LYS   2   4.774   4.220  -0.981
   17    HD2  LYS   2           2HD      LYS   2   3.757   2.110   0.807
   18    HD3  LYS   2           3HD      LYS   2   5.205   1.696  -0.113
   19    HE2  LYS   2           2HE      LYS   2   6.061   4.011   0.692
   20    HE3  LYS   2           3HE      LYS   2   4.799   3.862   1.913
   21    HZ1  LYS   2           3HZ      LYS   2   5.867   1.550   2.290
   22    HZ2  LYS   2           1HZ      LYS   2   6.598   2.922   2.956
   23    HZ3  LYS   2           2HZ      LYS   2   7.220   2.235   1.541
   24    H    LEU   3           H        LEU   3   2.925   2.097  -3.442
   25    HA   LEU   3           HA       LEU   3   2.897   4.328  -5.222
   26    HB2  LEU   3           2HB      LEU   3   4.188   1.795  -5.047
   27    HB3  LEU   3           3HB      LEU   3   3.442   1.934  -6.638
   28    HG   LEU   3           HG       LEU   3   5.668   2.686  -6.871
   29   HD11  LEU   3          1HD1      LEU   3   4.929   5.394  -6.766
   30   HD12  LEU   3          2HD1      LEU   3   3.468   4.491  -7.165
   31   HD13  LEU   3          3HD1      LEU   3   4.911   4.318  -8.164
   32   HD21  LEU   3          3HD2      LEU   3   5.246   4.591  -4.577
   33   HD22  LEU   3          1HD2      LEU   3   6.744   4.272  -5.451
   34   HD23  LEU   3          2HD2      LEU   3   6.041   3.024  -4.421
   35    H    LEU   4           H        LEU   4   1.108   1.284  -5.021
   36    HA   LEU   4           HA       LEU   4  -0.402   1.845  -7.416
   37    HB2  LEU   4           2HB      LEU   4  -0.011  -0.394  -5.617
   38    HB3  LEU   4           3HB      LEU   4  -1.709  -0.177  -6.035
   39    HG   LEU   4           HG       LEU   4  -1.419  -0.956  -8.116
   40   HD11  LEU   4          1HD1      LEU   4   1.121   0.636  -8.112
   41   HD12  LEU   4          2HD1      LEU   4  -0.338   0.876  -9.072
   42   HD13  LEU   4          3HD1      LEU   4   0.733  -0.480  -9.422
   43   HD21  LEU   4          3HD2      LEU   4   1.278  -1.969  -7.783
   44   HD22  LEU   4          1HD2      LEU   4  -0.248  -2.841  -7.937
   45   HD23  LEU   4          2HD2      LEU   4   0.276  -2.254  -6.358
   46    H    SER   5           H        SER   5  -0.785   2.234  -3.974
   47    HA   SER   5           HA       SER   5  -3.603   2.688  -4.018
   48    HB2  SER   5           2HB      SER   5  -1.436   3.165  -1.984
   49    HB3  SER   5           3HB      SER   5  -3.082   3.737  -1.711
   50    HG   SER   5           HG       SER   5  -2.702   1.634  -0.847
   51    H    LYS   6           H        LYS   6  -0.850   4.593  -4.749
   52    HA   LYS   6           HA       LYS   6  -2.336   7.100  -4.481
   53    HB2  LYS   6           2HB      LYS   6  -0.320   8.206  -4.455
   54    HB3  LYS   6           3HB      LYS   6   0.164   6.659  -3.772
   55    HG2  LYS   6           2HG      LYS   6   0.629   6.086  -6.307
   56    HG3  LYS   6           3HG      LYS   6   0.776   7.841  -6.424
   57    HD2  LYS   6           2HD      LYS   6   2.189   6.540  -4.174
   58    HD3  LYS   6           3HD      LYS   6   2.827   6.233  -5.791
   59    HE2  LYS   6           2HE      LYS   6   2.677   8.788  -6.094
   60    HE3  LYS   6           3HE      LYS   6   2.542   8.841  -4.337
   61    HZ1  LYS   6           3HZ      LYS   6   4.646   7.371  -4.425
   62    HZ2  LYS   6           1HZ      LYS   6   4.796   9.038  -4.674
   63    HZ3  LYS   6           2HZ      LYS   6   4.817   7.980  -5.994
   64    H    ALA   7           H        ALA   7  -1.246   4.835  -6.844
   65    HA   ALA   7           HA       ALA   7  -1.756   6.702  -9.040
   66    HB1  ALA   7           1HB      ALA   7  -0.756   5.048 -10.484
   67    HB2  ALA   7           2HB      ALA   7   0.297   5.331  -9.097
   68    HB3  ALA   7           3HB      ALA   7  -0.702   3.880  -9.163
   69    H    GLN   8           H        GLN   8  -3.335   4.322  -7.240
   70    HA   GLN   8           HA       GLN   8  -5.243   3.779  -9.411
   71    HB2  GLN   8           2HB      GLN   8  -4.218   1.798  -8.353
   72    HB3  GLN   8           3HB      GLN   8  -4.860   2.309  -6.797
   73    HG2  GLN   8           2HG      GLN   8  -6.956   1.626  -7.278
   74    HG3  GLN   8           3HG      GLN   8  -6.812   2.022  -8.990
   75   HE21  GLN   8          1HE2      GLN   8  -5.824  -0.303  -6.533
   76   HE22  GLN   8          2HE2      GLN   8  -5.678  -1.649  -7.606
   77    H    GLU   9           H        GLU   9  -4.852   5.266  -6.316
   78    HA   GLU   9           HA       GLU   9  -7.482   5.354  -5.403
   79    HB2  GLU   9           2HB      GLU   9  -5.867   6.085  -3.879
   80    HB3  GLU   9           3HB      GLU   9  -5.120   7.169  -5.044
   81    HG2  GLU   9           2HG      GLU   9  -7.006   8.676  -4.902
   82    HG3  GLU   9           3HG      GLU   9  -7.834   7.570  -3.808
   83    H    LYS  10           H        LYS  10  -5.907   7.133  -7.939
   84    HA   LYS  10           HA       LYS  10  -8.046   9.077  -8.166
   85    HB2  LYS  10           2HB      LYS  10  -6.746  10.104  -9.862
   86    HB3  LYS  10           3HB      LYS  10  -5.605   9.578  -8.631
   87    HG2  LYS  10           2HG      LYS  10  -5.378   7.458 -10.106
   88    HG3  LYS  10           3HG      LYS  10  -6.074   8.479 -11.367
   89    HD2  LYS  10           2HD      LYS  10  -3.704   8.637 -11.555
   90    HD3  LYS  10           3HD      LYS  10  -4.276  10.158 -10.865
   91    HE2  LYS  10           2HE      LYS  10  -3.494   9.614  -8.729
   92    HE3  LYS  10           3HE      LYS  10  -3.355   7.900  -9.117
   93    HZ1  LYS  10           3HZ      LYS  10  -1.231   9.293  -9.012
   94    HZ2  LYS  10           1HZ      LYS  10  -1.705   9.909 -10.515
   95    HZ3  LYS  10           2HZ      LYS  10  -1.426   8.251 -10.331
   96    H    PHE  11           H        PHE  11  -8.182   6.007  -8.716
   97    HA   PHE  11           HA       PHE  11  -9.576   6.260 -11.300
   98    HB2  PHE  11           2HB      PHE  11  -7.950   3.974 -10.194
   99    HB3  PHE  11           3HB      PHE  11  -9.100   3.754 -11.510
  100    HD1  PHE  11           HD2      PHE  11  -6.063   5.629 -10.514
  101    HD2  PHE  11           HD1      PHE  11  -8.506   4.245 -13.713
  102    HE1  PHE  11           HE2      PHE  11  -4.343   6.332 -12.127
  103    HE2  PHE  11           HE1      PHE  11  -6.789   4.944 -15.331
  104    HZ   PHE  11           HZ       PHE  11  -4.705   5.991 -14.539
  105    H    GLY  12           H        GLY  12  -9.597   4.932  -8.057
  106    HA2  GLY  12           2HA      GLY  12 -12.249   3.766  -8.474
  107    HA3  GLY  12           3HA      GLY  12 -11.238   3.560  -7.051
  108    H    LYS  13           H        LYS  13 -12.614   6.356  -8.788
  109    HA   LYS  13           HA       LYS  13 -12.903   8.036  -6.622
  110    HB2  LYS  13           2HB      LYS  13 -14.853   9.023  -7.974
  111    HB3  LYS  13           3HB      LYS  13 -13.264   8.999  -8.727
  112    HG2  LYS  13           2HG      LYS  13 -14.819   6.602  -9.279
  113    HG3  LYS  13           3HG      LYS  13 -15.594   8.084  -9.846
  114    HD2  LYS  13           2HD      LYS  13 -12.693   7.700 -10.396
  115    HD3  LYS  13           3HD      LYS  13 -13.857   6.772 -11.345
  116    HE2  LYS  13           2HE      LYS  13 -15.017   9.123 -11.595
  117    HE3  LYS  13           3HE      LYS  13 -13.394   9.714 -11.243
  118    HZ1  LYS  13           3HZ      LYS  13 -12.968   9.418 -13.387
  119    HZ2  LYS  13           1HZ      LYS  13 -14.416   8.582 -13.647
  120    HZ3  LYS  13           2HZ      LYS  13 -13.041   7.749 -13.121
  121    H    ASN  14           H        ASN  14 -15.041   5.462  -7.716
  122    HA   ASN  14           HA       ASN  14 -16.820   5.997  -5.438
  123    HB2  ASN  14           2HB      ASN  14 -17.271   5.122  -8.166
  124    HB3  ASN  14           3HB      ASN  14 -17.980   3.997  -7.012
  125   HD21  ASN  14          1HD2      ASN  14 -18.611   6.621  -8.819
  126   HD22  ASN  14          2HD2      ASN  14 -19.886   7.330  -7.893
  127    H    LYS  15           H        LYS  15 -14.456   3.844  -6.635
  128    HA   LYS  15           HA       LYS  15 -15.234   1.446  -5.389
  129    HB2  LYS  15           2HB      LYS  15 -13.182   2.206  -7.035
  130    HB3  LYS  15           3HB      LYS  15 -12.339   1.943  -5.514
  131    HG2  LYS  15           2HG      LYS  15 -12.217  -0.173  -6.246
  132    HG3  LYS  15           3HG      LYS  15 -13.860  -0.280  -5.610
  133    HD2  LYS  15           2HD      LYS  15 -14.758   0.230  -7.823
  134    HD3  LYS  15           3HD      LYS  15 -13.119   0.373  -8.463
  135    HE2  LYS  15           2HE      LYS  15 -12.971  -1.828  -8.752
  136    HE3  LYS  15           3HE      LYS  15 -13.459  -2.133  -7.085
  137    HZ1  LYS  15           3HZ      LYS  15 -15.140  -1.942  -9.497
  138    HZ2  LYS  15           1HZ      LYS  15 -15.806  -1.635  -7.972
  139    HZ3  LYS  15           2HZ      LYS  15 -15.116  -3.143  -8.306
  140    H    SER  16           H        SER  16 -12.823   3.851  -4.320
  141    HA   SER  16           HA       SER  16 -12.252   2.766  -1.843
  142    HB2  SER  16           2HB      SER  16 -11.094   4.694  -1.438
  143    HB3  SER  16           3HB      SER  16 -11.377   4.940  -3.161
  144    HG   SER  16           HG       SER  16 -13.369   6.053  -2.427
  145    H    ARG  17           H        ARG  17 -15.024   4.618  -2.864
  146    HA   ARG  17           HA       ARG  17 -15.992   4.924  -0.135
  147    HB2  ARG  17           2HB      ARG  17 -16.352   6.820  -1.547
  148    HB3  ARG  17           3HB      ARG  17 -17.065   5.822  -2.808
  149    HG2  ARG  17           2HG      ARG  17 -18.416   5.724  -0.196
  150    HG3  ARG  17           3HG      ARG  17 -18.488   7.269  -1.045
  151    HD2  ARG  17           2HD      ARG  17 -19.226   5.944  -3.082
  152    HD3  ARG  17           3HD      ARG  17 -19.442   4.578  -1.987
  153    HE   ARG  17           HE       ARG  17 -21.158   6.848  -2.267
  154   HH11  ARG  17          1HH1      ARG  17 -20.023   4.424  -0.041
  155   HH12  ARG  17          2HH1      ARG  17 -21.437   4.492   0.957
  156   HH21  ARG  17          1HH2      ARG  17 -23.025   6.947  -0.959
  157   HH22  ARG  17          2HH2      ARG  17 -23.144   5.927   0.434